data_10248_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10248
_Entry.PDB_ID 1WZ6
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.967 4.069 -0.102 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.967 4.080 -0.113 1
1 3 . 1 1 1 A 7 7 GLY C C 7 173.907 174.957 -1.050 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.273 45.561 -0.288 1
1 5 . 1 1 1 A 8 8 ALA H H 8 8.092 8.469 -0.377 1
1 6 . 1 1 1 A 8 8 ALA HA H 8 4.335 4.130 0.205 1
1 10 . 1 1 1 A 8 8 ALA C C 8 177.772 177.432 0.340 1
1 11 . 1 1 1 A 8 8 ALA CA C 8 52.468 54.922 -2.454 1
1 12 . 1 1 1 A 8 8 ALA CB C 8 19.404 19.441 -0.037 1
1 13 . 1 1 1 A 8 8 ALA N N 8 123.589 123.631 -0.042 1
1 14 . 1 1 1 A 9 9 ARG H H 9 8.298 7.615 0.683 1
1 15 . 1 1 1 A 9 9 ARG HA H 9 4.348 4.621 -0.273 1
1 22 . 1 1 1 A 9 9 ARG C C 9 175.894 174.006 1.888 1
1 23 . 1 1 1 A 9 9 ARG CA C 9 55.999 55.887 0.112 1
1 24 . 1 1 1 A 9 9 ARG CB C 9 30.813 33.391 -2.578 1
1 27 . 1 1 1 A 9 9 ARG N N 9 120.366 114.818 5.548 1
1 28 . 1 1 1 A 10 10 ARG H H 10 8.212 8.522 -0.310 1
1 29 . 1 1 1 A 10 10 ARG HA H 10 4.468 4.248 0.220 1
1 36 . 1 1 1 A 10 10 ARG C C 10 173.810 175.853 -2.043 1
1 37 . 1 1 1 A 10 10 ARG CA C 10 53.783 53.988 -0.205 1
1 38 . 1 1 1 A 10 10 ARG CB C 10 30.384 29.501 0.883 1
1 41 . 1 1 1 A 10 10 ARG N N 10 122.690 125.759 -3.069 1
1 42 . 1 1 1 A 11 11 PRO HA H 11 4.322 4.277 0.045 1
1 49 . 1 1 1 A 11 11 PRO C C 11 176.427 176.302 0.125 1
1 50 . 1 1 1 A 11 11 PRO CA C 11 62.905 65.613 -2.708 1
1 51 . 1 1 1 A 11 11 PRO CB C 11 31.929 31.353 0.576 1
1 54 . 1 1 1 A 12 12 MET H H 12 8.237 7.721 0.516 1
1 55 . 1 1 1 A 12 12 MET HA H 12 4.441 4.683 -0.242 1
1 63 . 1 1 1 A 12 12 MET C C 12 175.094 173.872 1.222 1
1 64 . 1 1 1 A 12 12 MET CA C 12 55.400 53.670 1.730 1
1 65 . 1 1 1 A 12 12 MET CB C 12 33.327 34.426 -1.099 1
1 68 . 1 1 1 A 12 12 MET N N 12 120.543 112.898 7.645 1
1 69 . 1 1 1 A 13 13 ASN H H 13 7.399 8.594 -1.195 1
1 70 . 1 1 1 A 13 13 ASN HA H 13 4.650 5.208 -0.558 1
1 75 . 1 1 1 A 13 13 ASN C C 13 174.743 175.269 -0.526 1
1 76 . 1 1 1 A 13 13 ASN CA C 13 52.456 51.687 0.769 1
1 77 . 1 1 1 A 13 13 ASN CB C 13 39.513 42.473 -2.960 1
1 78 . 1 1 1 A 13 13 ASN N N 13 118.399 117.070 1.329 1
1 80 . 1 1 1 A 14 14 ALA H H 14 8.681 8.900 -0.219 1
1 81 . 1 1 1 A 14 14 ALA HA H 14 3.964 4.299 -0.335 1
1 85 . 1 1 1 A 14 14 ALA C C 14 177.736 179.170 -1.434 1
1 86 . 1 1 1 A 14 14 ALA CA C 14 56.221 55.595 0.626 1
1 87 . 1 1 1 A 14 14 ALA CB C 14 19.568 18.570 0.998 1
1 88 . 1 1 1 A 14 14 ALA N N 14 122.169 123.652 -1.483 1
1 89 . 1 1 1 A 15 15 PHE H H 15 8.002 7.567 0.435 1
1 90 . 1 1 1 A 15 15 PHE HA H 15 2.866 2.046 0.820 1
1 98 . 1 1 1 A 15 15 PHE C C 15 177.821 176.606 1.215 1
1 99 . 1 1 1 A 15 15 PHE CA C 15 59.132 60.211 -1.079 1
1 100 . 1 1 1 A 15 15 PHE CB C 15 38.239 38.063 0.176 1
1 106 . 1 1 1 A 15 15 PHE N N 15 116.867 118.829 -1.962 1
1 107 . 1 1 1 A 16 16 LEU H H 16 8.264 8.283 -0.019 1
1 108 . 1 1 1 A 16 16 LEU HA H 16 3.642 3.449 0.193 1
1 118 . 1 1 1 A 16 16 LEU C C 16 180.354 179.403 0.951 1
1 119 . 1 1 1 A 16 16 LEU CA C 16 58.236 56.837 1.399 1
1 120 . 1 1 1 A 16 16 LEU CB C 16 41.365 41.310 0.055 1
1 124 . 1 1 1 A 16 16 LEU N N 16 120.647 118.878 1.769 1
1 125 . 1 1 1 A 17 17 LEU H H 17 7.977 7.775 0.202 1
1 126 . 1 1 1 A 17 17 LEU HA H 17 4.065 4.158 -0.093 1
1 136 . 1 1 1 A 17 17 LEU C C 17 178.984 179.065 -0.081 1
1 137 . 1 1 1 A 17 17 LEU CA C 17 58.165 57.932 0.233 1
1 138 . 1 1 1 A 17 17 LEU CB C 17 41.693 42.283 -0.590 1
1 142 . 1 1 1 A 17 17 LEU N N 17 121.855 118.402 3.453 1
1 143 . 1 1 1 A 18 18 PHE H H 18 8.136 7.694 0.442 1
1 144 . 1 1 1 A 18 18 PHE HA H 18 3.769 4.481 -0.712 1
1 150 . 1 1 1 A 18 18 PHE C C 18 179.020 178.094 0.926 1
1 151 . 1 1 1 A 18 18 PHE CA C 18 62.333 61.428 0.905 1
1 152 . 1 1 1 A 18 18 PHE CB C 18 39.122 39.081 0.041 1
1 156 . 1 1 1 A 18 18 PHE N N 18 122.907 118.090 4.817 1
1 157 . 1 1 1 A 19 19 CYS H H 19 8.520 7.552 0.968 1
1 158 . 1 1 1 A 19 19 CYS HA H 19 3.728 4.259 -0.531 1
1 161 . 1 1 1 A 19 19 CYS C C 19 176.136 177.027 -0.891 1
1 162 . 1 1 1 A 19 19 CYS CA C 19 64.313 62.287 2.026 1
1 163 . 1 1 1 A 19 19 CYS CB C 19 26.577 26.668 -0.091 1
1 164 . 1 1 1 A 19 19 CYS N N 19 119.069 117.565 1.504 1
1 165 . 1 1 1 A 20 20 LYS H H 20 7.969 7.499 0.470 1
1 166 . 1 1 1 A 20 20 LYS HA H 20 3.953 4.130 -0.177 1
1 175 . 1 1 1 A 20 20 LYS C C 20 179.133 177.182 1.951 1
1 176 . 1 1 1 A 20 20 LYS CA C 20 59.295 58.417 0.878 1
1 177 . 1 1 1 A 20 20 LYS CB C 20 32.111 32.015 0.096 1
1 181 . 1 1 1 A 20 20 LYS N N 20 119.888 119.989 -0.101 1
1 182 . 1 1 1 A 21 21 ARG H H 21 7.493 7.648 -0.155 1
1 183 . 1 1 1 A 21 21 ARG HA H 21 4.166 4.427 -0.261 1
1 190 . 1 1 1 A 21 21 ARG C C 21 177.239 177.813 -0.574 1
1 191 . 1 1 1 A 21 21 ARG CA C 21 57.575 57.464 0.111 1
1 192 . 1 1 1 A 21 21 ARG CB C 21 30.137 31.325 -1.188 1
1 195 . 1 1 1 A 21 21 ARG N N 21 116.105 117.960 -1.855 1
1 196 . 1 1 1 A 22 22 HIS H H 22 7.354 8.274 -0.920 1
1 197 . 1 1 1 A 22 22 HIS HA H 22 4.706 4.412 0.294 1
1 201 . 1 1 1 A 22 22 HIS C C 22 175.627 176.465 -0.838 1
1 202 . 1 1 1 A 22 22 HIS CA C 22 58.593 58.505 0.088 1
1 203 . 1 1 1 A 22 22 HIS CB C 22 30.754 30.011 0.743 1
1 205 . 1 1 1 A 22 22 HIS N N 22 113.808 117.127 -3.319 1
1 206 . 1 1 1 A 23 23 ARG H H 23 8.372 8.203 0.169 1
1 207 . 1 1 1 A 23 23 ARG HA H 23 3.793 3.861 -0.068 1
1 214 . 1 1 1 A 23 23 ARG C C 23 177.930 178.628 -0.698 1
1 215 . 1 1 1 A 23 23 ARG CA C 23 60.747 59.395 1.352 1
1 216 . 1 1 1 A 23 23 ARG CB C 23 29.251 30.392 -1.141 1
1 219 . 1 1 1 A 23 23 ARG N N 23 123.560 120.633 2.927 1
1 220 . 1 1 1 A 24 24 SER HA H 24 4.163 4.145 0.018 1
1 223 . 1 1 1 A 24 24 SER CA C 24 61.523 62.126 -0.603 1
1 224 . 1 1 1 A 24 24 SER CB C 24 62.116 63.009 -0.893 1
1 225 . 1 1 1 A 25 25 LEU H H 25 7.504 8.175 -0.671 1
1 226 . 1 1 1 A 25 25 LEU HA H 25 4.265 3.990 0.275 1
1 236 . 1 1 1 A 25 25 LEU C C 25 179.336 178.926 0.410 1
1 237 . 1 1 1 A 25 25 LEU CA C 25 57.837 58.454 -0.617 1
1 238 . 1 1 1 A 25 25 LEU CB C 25 41.470 42.094 -0.624 1
1 242 . 1 1 1 A 25 25 LEU N N 25 124.174 121.988 2.186 1
1 243 . 1 1 1 A 26 26 VAL H H 26 7.802 8.197 -0.395 1
1 244 . 1 1 1 A 26 26 VAL HA H 26 3.833 3.421 0.412 1
1 252 . 1 1 1 A 26 26 VAL C C 26 177.712 177.917 -0.205 1
1 253 . 1 1 1 A 26 26 VAL CA C 26 66.662 66.943 -0.281 1
1 254 . 1 1 1 A 26 26 VAL CB C 26 31.670 31.362 0.308 1
1 257 . 1 1 1 A 26 26 VAL N N 26 119.266 118.243 1.023 1
1 258 . 1 1 1 A 27 27 ARG H H 27 7.922 8.595 -0.673 1
1 259 . 1 1 1 A 27 27 ARG HA H 27 4.043 4.055 -0.012 1
1 266 . 1 1 1 A 27 27 ARG C C 27 177.785 179.084 -1.299 1
1 267 . 1 1 1 A 27 27 ARG CA C 27 58.683 60.092 -1.409 1
1 268 . 1 1 1 A 27 27 ARG CB C 27 29.720 29.843 -0.123 1
1 271 . 1 1 1 A 27 27 ARG N N 27 118.035 119.222 -1.187 1
1 272 . 1 1 1 A 28 28 GLN H H 28 7.707 8.569 -0.862 1
1 273 . 1 1 1 A 28 28 GLN HA H 28 4.092 4.120 -0.028 1
1 280 . 1 1 1 A 28 28 GLN C C 28 177.785 178.639 -0.854 1
1 281 . 1 1 1 A 28 28 GLN CA C 28 58.233 58.791 -0.558 1
1 282 . 1 1 1 A 28 28 GLN CB C 28 29.191 28.488 0.703 1
1 284 . 1 1 1 A 28 28 GLN N N 28 116.893 118.221 -1.328 1
1 286 . 1 1 1 A 29 29 GLU H H 29 7.864 8.429 -0.565 1
1 287 . 1 1 1 A 29 29 GLU HA H 29 4.131 3.991 0.140 1
1 292 . 1 1 1 A 29 29 GLU C C 29 176.246 176.050 0.196 1
1 293 . 1 1 1 A 29 29 GLU CA C 29 57.808 58.362 -0.554 1
1 294 . 1 1 1 A 29 29 GLU CB C 29 31.004 29.297 1.707 1
1 296 . 1 1 1 A 29 29 GLU N N 29 116.949 119.188 -2.239 1
1 297 . 1 1 1 A 30 30 HIS H H 30 8.058 8.411 -0.353 1
1 298 . 1 1 1 A 30 30 HIS HA H 30 5.071 5.041 0.030 1
1 303 . 1 1 1 A 30 30 HIS C C 30 173.519 173.957 -0.438 1
1 304 . 1 1 1 A 30 30 HIS CA C 30 53.347 53.283 0.064 1
1 305 . 1 1 1 A 30 30 HIS CB C 30 30.649 29.755 0.894 1
1 308 . 1 1 1 A 30 30 HIS N N 30 116.711 116.896 -0.185 1
1 309 . 1 1 1 A 31 31 PRO HA H 31 4.648 4.632 0.016 1
1 316 . 1 1 1 A 31 31 PRO C C 31 178.197 179.098 -0.901 1
1 317 . 1 1 1 A 31 31 PRO CA C 31 64.911 65.344 -0.433 1
1 318 . 1 1 1 A 31 31 PRO CB C 31 32.458 31.976 0.482 1
1 321 . 1 1 1 A 32 32 ARG H H 32 8.617 8.304 0.313 1
1 322 . 1 1 1 A 32 32 ARG HA H 32 4.406 4.081 0.325 1
1 329 . 1 1 1 A 32 32 ARG C C 32 176.815 177.563 -0.748 1
1 330 . 1 1 1 A 32 32 ARG CA C 32 55.959 59.181 -3.222 1
1 331 . 1 1 1 A 32 32 ARG CB C 32 29.808 30.251 -0.443 1
1 334 . 1 1 1 A 32 32 ARG N N 32 116.125 119.208 -3.083 1
1 335 . 1 1 1 A 33 33 LEU H H 33 7.421 7.596 -0.175 1
1 336 . 1 1 1 A 33 33 LEU HA H 33 4.409 4.267 0.142 1
1 346 . 1 1 1 A 33 33 LEU C C 33 177.349 176.415 0.934 1
1 347 . 1 1 1 A 33 33 LEU CA C 33 55.140 55.311 -0.171 1
1 348 . 1 1 1 A 33 33 LEU CB C 33 43.420 42.693 0.727 1
1 352 . 1 1 1 A 33 33 LEU N N 33 120.576 120.859 -0.283 1
1 353 . 1 1 1 A 34 34 ASP H H 34 8.168 8.428 -0.260 1
1 354 . 1 1 1 A 34 34 ASP HA H 34 4.646 4.974 -0.328 1
1 357 . 1 1 1 A 34 34 ASP C C 34 175.821 176.920 -1.099 1
1 358 . 1 1 1 A 34 34 ASP CA C 34 52.415 52.545 -0.130 1
1 359 . 1 1 1 A 34 34 ASP CB C 34 41.177 43.757 -2.580 1
1 360 . 1 1 1 A 34 34 ASP N N 34 122.502 121.084 1.418 1
1 361 . 1 1 1 A 35 35 ASN HA H 35 4.395 4.371 0.024 1
1 366 . 1 1 1 A 35 35 ASN CA C 35 57.033 55.793 1.240 1
1 367 . 1 1 1 A 35 35 ASN CB C 35 38.344 38.081 0.263 1
1 369 . 1 1 1 A 36 36 ARG HA H 36 4.096 4.129 -0.033 1
1 376 . 1 1 1 A 36 36 ARG C C 36 179.554 179.744 -0.190 1
1 377 . 1 1 1 A 36 36 ARG CA C 36 59.527 58.543 0.984 1
1 378 . 1 1 1 A 36 36 ARG CB C 36 29.626 30.453 -0.827 1
1 381 . 1 1 1 A 37 37 GLY H H 37 8.618 8.390 0.228 1
1 382 . 1 1 1 A 37 37 GLY HA2 H 37 3.888 3.740 0.148 1
1 383 . 1 1 1 A 37 37 GLY HA3 H 37 3.754 3.743 0.011 1
1 384 . 1 1 1 A 37 37 GLY C C 37 176.597 175.955 0.642 1
1 385 . 1 1 1 A 37 37 GLY CA C 37 47.048 47.226 -0.178 1
1 386 . 1 1 1 A 37 37 GLY N N 37 110.017 108.218 1.799 1
1 387 . 1 1 1 A 38 38 ALA H H 38 8.619 8.578 0.041 1
1 388 . 1 1 1 A 38 38 ALA HA H 38 3.945 3.928 0.017 1
1 392 . 1 1 1 A 38 38 ALA C C 38 178.924 180.240 -1.316 1
1 393 . 1 1 1 A 38 38 ALA CA C 38 55.123 54.577 0.546 1
1 394 . 1 1 1 A 38 38 ALA CB C 38 18.046 18.297 -0.251 1
1 395 . 1 1 1 A 38 38 ALA N N 38 124.889 124.433 0.456 1
1 396 . 1 1 1 A 39 39 THR H H 39 8.239 7.806 0.433 1
1 397 . 1 1 1 A 39 39 THR HA H 39 3.895 3.980 -0.085 1
1 402 . 1 1 1 A 39 39 THR C C 39 175.252 176.669 -1.417 1
1 403 . 1 1 1 A 39 39 THR CA C 39 66.889 66.129 0.760 1
1 404 . 1 1 1 A 39 39 THR CB C 39 68.607 68.518 0.089 1
1 406 . 1 1 1 A 39 39 THR N N 39 114.810 113.380 1.430 1
1 407 . 1 1 1 A 40 40 LYS H H 40 7.518 8.015 -0.497 1
1 408 . 1 1 1 A 40 40 LYS HA H 40 4.098 4.126 -0.028 1
1 417 . 1 1 1 A 40 40 LYS C C 40 178.330 179.336 -1.006 1
1 418 . 1 1 1 A 40 40 LYS CA C 40 59.746 58.542 1.204 1
1 419 . 1 1 1 A 40 40 LYS CB C 40 32.106 32.035 0.071 1
1 423 . 1 1 1 A 40 40 LYS N N 40 122.046 120.452 1.594 1
1 424 . 1 1 1 A 41 41 ILE H H 41 7.218 7.505 -0.287 1
1 425 . 1 1 1 A 41 41 ILE HA H 41 3.722 3.785 -0.063 1
1 435 . 1 1 1 A 41 41 ILE C C 41 178.197 178.268 -0.071 1
1 436 . 1 1 1 A 41 41 ILE CA C 41 64.055 64.358 -0.303 1
1 437 . 1 1 1 A 41 41 ILE CB C 41 36.482 37.289 -0.807 1
1 441 . 1 1 1 A 41 41 ILE N N 41 119.019 121.056 -2.037 1
1 442 . 1 1 1 A 42 42 LEU H H 42 7.940 7.818 0.122 1
1 443 . 1 1 1 A 42 42 LEU HA H 42 3.988 3.961 0.027 1
1 453 . 1 1 1 A 42 42 LEU C C 42 179.251 178.997 0.254 1
1 454 . 1 1 1 A 42 42 LEU CA C 42 58.605 58.008 0.597 1
1 455 . 1 1 1 A 42 42 LEU CB C 42 41.694 41.553 0.141 1
1 459 . 1 1 1 A 42 42 LEU N N 42 119.163 119.923 -0.760 1
1 460 . 1 1 1 A 43 43 ALA H H 43 8.732 8.123 0.609 1
1 461 . 1 1 1 A 43 43 ALA HA H 43 4.222 4.275 -0.053 1
1 465 . 1 1 1 A 43 43 ALA C C 43 180.899 179.180 1.719 1
1 466 . 1 1 1 A 43 43 ALA CA C 43 55.699 55.652 0.047 1
1 467 . 1 1 1 A 43 43 ALA CB C 43 17.859 18.700 -0.841 1
1 468 . 1 1 1 A 43 43 ALA N N 43 122.225 121.438 0.787 1
1 469 . 1 1 1 A 44 44 ASP H H 44 8.350 8.490 -0.140 1
1 470 . 1 1 1 A 44 44 ASP HA H 44 4.545 4.373 0.172 1
1 473 . 1 1 1 A 44 44 ASP C C 44 179.227 178.773 0.454 1
1 474 . 1 1 1 A 44 44 ASP CA C 44 57.507 57.514 -0.007 1
1 475 . 1 1 1 A 44 44 ASP CB C 44 39.719 41.437 -1.718 1
1 476 . 1 1 1 A 44 44 ASP N N 44 122.950 118.321 4.629 1
1 477 . 1 1 1 A 45 45 TRP H H 45 8.831 8.531 0.300 1
1 478 . 1 1 1 A 45 45 TRP HA H 45 4.692 4.405 0.287 1
1 487 . 1 1 1 A 45 45 TRP C C 45 179.057 178.839 0.218 1
1 488 . 1 1 1 A 45 45 TRP CA C 45 58.008 59.920 -1.912 1
1 489 . 1 1 1 A 45 45 TRP CB C 45 29.520 29.603 -0.083 1
1 495 . 1 1 1 A 45 45 TRP N N 45 122.321 120.033 2.288 1
1 497 . 1 1 1 A 46 46 TRP H H 46 8.921 8.277 0.644 1
1 498 . 1 1 1 A 46 46 TRP HA H 46 3.733 3.499 0.234 1
1 507 . 1 1 1 A 46 46 TRP C C 46 177.664 177.812 -0.148 1
1 508 . 1 1 1 A 46 46 TRP CA C 46 59.279 60.553 -1.274 1
1 509 . 1 1 1 A 46 46 TRP CB C 46 30.508 29.421 1.087 1
1 515 . 1 1 1 A 46 46 TRP N N 46 120.243 121.350 -1.107 1
1 517 . 1 1 1 A 47 47 ALA H H 47 7.918 9.326 -1.408 1
1 518 . 1 1 1 A 47 47 ALA HA H 47 3.918 4.060 -0.142 1
1 522 . 1 1 1 A 47 47 ALA C C 47 179.978 178.132 1.846 1
1 523 . 1 1 1 A 47 47 ALA CA C 47 55.011 55.017 -0.006 1
1 524 . 1 1 1 A 47 47 ALA CB C 47 18.581 18.658 -0.077 1
1 525 . 1 1 1 A 47 47 ALA N N 47 117.935 120.864 -2.929 1
1 526 . 1 1 1 A 48 48 VAL H H 48 7.106 7.591 -0.485 1
1 527 . 1 1 1 A 48 48 VAL HA H 48 4.378 4.360 0.018 1
1 535 . 1 1 1 A 48 48 VAL C C 48 175.627 174.525 1.102 1
1 536 . 1 1 1 A 48 48 VAL CA C 48 60.641 60.276 0.365 1
1 537 . 1 1 1 A 48 48 VAL CB C 48 31.865 31.387 0.478 1
1 540 . 1 1 1 A 48 48 VAL N N 48 107.757 108.506 -0.749 1
1 541 . 1 1 1 A 49 49 LEU H H 49 7.008 7.286 -0.278 1
1 542 . 1 1 1 A 49 49 LEU HA H 49 3.948 5.162 -1.214 1
1 552 . 1 1 1 A 49 49 LEU C C 49 176.258 174.283 1.975 1
1 553 . 1 1 1 A 49 49 LEU CA C 49 55.032 53.176 1.856 1
1 554 . 1 1 1 A 49 49 LEU CB C 49 42.822 45.523 -2.701 1
1 558 . 1 1 1 A 49 49 LEU N N 49 125.594 124.538 1.056 1
1 559 . 1 1 1 A 50 50 ASP H H 50 8.485 8.686 -0.201 1
1 560 . 1 1 1 A 50 50 ASP HA H 50 4.643 4.779 -0.136 1
1 563 . 1 1 1 A 50 50 ASP CA C 50 52.855 52.781 0.074 1
1 564 . 1 1 1 A 50 50 ASP CB C 50 42.605 40.915 1.690 1
1 565 . 1 1 1 A 51 51 PRO HA H 51 4.025 4.279 -0.254 1
1 572 . 1 1 1 A 51 51 PRO C C 51 179.166 178.635 0.531 1
1 573 . 1 1 1 A 51 51 PRO CA C 51 65.861 65.644 0.217 1
1 574 . 1 1 1 A 51 51 PRO CB C 51 32.458 31.565 0.893 1
1 577 . 1 1 1 A 52 52 LYS H H 52 8.866 8.205 0.661 1
1 578 . 1 1 1 A 52 52 LYS HA H 52 4.165 4.002 0.163 1
1 585 . 1 1 1 A 52 52 LYS C C 52 179.542 179.222 0.320 1
1 586 . 1 1 1 A 52 52 LYS CA C 52 59.484 59.451 0.033 1
1 587 . 1 1 1 A 52 52 LYS CB C 52 31.906 32.393 -0.487 1
1 591 . 1 1 1 A 52 52 LYS N N 52 118.625 118.790 -0.165 1
1 592 . 1 1 1 A 53 53 GLU H H 53 7.727 8.256 -0.529 1
1 593 . 1 1 1 A 53 53 GLU HA H 53 4.343 4.084 0.259 1
1 598 . 1 1 1 A 53 53 GLU C C 53 179.335 179.551 -0.216 1
1 599 . 1 1 1 A 53 53 GLU CA C 53 58.355 59.470 -1.115 1
1 600 . 1 1 1 A 53 53 GLU CB C 53 29.726 29.317 0.409 1
1 602 . 1 1 1 A 53 53 GLU N N 53 120.460 119.361 1.099 1
1 603 . 1 1 1 A 54 54 LYS H H 54 8.194 7.587 0.607 1
1 604 . 1 1 1 A 54 54 LYS HA H 54 3.949 4.331 -0.382 1
1 613 . 1 1 1 A 54 54 LYS C C 54 179.566 178.963 0.603 1
1 614 . 1 1 1 A 54 54 LYS CA C 54 60.920 60.051 0.869 1
1 615 . 1 1 1 A 54 54 LYS CB C 54 32.481 32.084 0.397 1
1 619 . 1 1 1 A 54 54 LYS N N 54 118.859 118.764 0.095 1
1 620 . 1 1 1 A 55 55 GLN H H 55 7.965 9.297 -1.332 1
1 621 . 1 1 1 A 55 55 GLN HA H 55 4.025 4.082 -0.057 1
1 628 . 1 1 1 A 55 55 GLN C C 55 177.154 177.950 -0.796 1
1 629 . 1 1 1 A 55 55 GLN CA C 55 58.064 58.893 -0.829 1
1 630 . 1 1 1 A 55 55 GLN CB C 55 28.163 28.931 -0.768 1
1 632 . 1 1 1 A 55 55 GLN N N 55 117.922 119.770 -1.848 1
1 634 . 1 1 1 A 56 56 LYS H H 56 7.483 8.025 -0.542 1
1 635 . 1 1 1 A 56 56 LYS HA H 56 4.205 4.098 0.107 1
1 644 . 1 1 1 A 56 56 LYS C C 56 179.772 178.326 1.446 1
1 645 . 1 1 1 A 56 56 LYS CA C 56 59.671 59.286 0.385 1
1 646 . 1 1 1 A 56 56 LYS CB C 56 31.700 32.084 -0.384 1
1 650 . 1 1 1 A 56 56 LYS N N 56 118.491 118.598 -0.107 1
1 651 . 1 1 1 A 57 57 TYR H H 57 7.707 8.379 -0.672 1
1 652 . 1 1 1 A 57 57 TYR HA H 57 4.344 4.527 -0.183 1
1 659 . 1 1 1 A 57 57 TYR C C 57 177.966 178.606 -0.640 1
1 660 . 1 1 1 A 57 57 TYR CA C 57 62.784 60.274 2.510 1
1 661 . 1 1 1 A 57 57 TYR CB C 57 38.973 38.483 0.490 1
1 666 . 1 1 1 A 57 57 TYR N N 57 117.968 119.408 -1.440 1
1 667 . 1 1 1 A 58 58 THR H H 58 8.458 9.599 -1.141 1
1 668 . 1 1 1 A 58 58 THR HA H 58 4.074 4.031 0.043 1
1 673 . 1 1 1 A 58 58 THR C C 58 177.203 175.838 1.365 1
1 674 . 1 1 1 A 58 58 THR CA C 58 67.168 67.515 -0.347 1
1 675 . 1 1 1 A 58 58 THR CB C 58 68.401 68.600 -0.199 1
1 677 . 1 1 1 A 58 58 THR N N 58 118.700 115.438 3.262 1
1 678 . 1 1 1 A 59 59 ASP H H 59 8.807 8.652 0.155 1
1 679 . 1 1 1 A 59 59 ASP HA H 59 4.514 4.338 0.176 1
1 682 . 1 1 1 A 59 59 ASP C C 59 179.154 178.349 0.805 1
1 683 . 1 1 1 A 59 59 ASP CA C 59 57.754 57.674 0.080 1
1 684 . 1 1 1 A 59 59 ASP CB C 59 39.801 41.297 -1.496 1
1 685 . 1 1 1 A 59 59 ASP N N 59 123.812 121.546 2.266 1
1 686 . 1 1 1 A 60 60 MET H H 60 8.085 8.335 -0.250 1
1 687 . 1 1 1 A 60 60 MET HA H 60 4.161 4.105 0.056 1
1 695 . 1 1 1 A 60 60 MET C C 60 178.378 178.325 0.053 1
1 696 . 1 1 1 A 60 60 MET CA C 60 58.980 59.356 -0.376 1
1 697 . 1 1 1 A 60 60 MET CB C 60 34.227 32.748 1.479 1
1 700 . 1 1 1 A 60 60 MET N N 60 120.481 118.115 2.366 1
1 701 . 1 1 1 A 61 61 ALA H H 61 8.296 8.130 0.166 1
1 702 . 1 1 1 A 61 61 ALA HA H 61 4.114 4.212 -0.098 1
1 706 . 1 1 1 A 61 61 ALA C C 61 179.408 179.691 -0.283 1
1 707 . 1 1 1 A 61 61 ALA CA C 61 54.935 55.400 -0.465 1
1 708 . 1 1 1 A 61 61 ALA CB C 61 17.759 18.176 -0.417 1
1 709 . 1 1 1 A 61 61 ALA N N 61 121.147 121.230 -0.083 1
1 710 . 1 1 1 A 62 62 LYS H H 62 7.812 8.982 -1.170 1
1 711 . 1 1 1 A 62 62 LYS HA H 62 4.177 4.136 0.041 1
1 720 . 1 1 1 A 62 62 LYS C C 62 177.979 178.443 -0.464 1
1 721 . 1 1 1 A 62 62 LYS CA C 62 59.289 59.104 0.185 1
1 722 . 1 1 1 A 62 62 LYS CB C 62 32.539 31.543 0.996 1
1 726 . 1 1 1 A 62 62 LYS N N 62 119.686 117.903 1.783 1
1 727 . 1 1 1 A 63 63 GLU H H 63 7.810 8.034 -0.224 1
1 728 . 1 1 1 A 63 63 GLU HA H 63 4.216 4.401 -0.185 1
1 733 . 1 1 1 A 63 63 GLU C C 63 178.597 178.459 0.138 1
1 734 . 1 1 1 A 63 63 GLU CA C 63 58.386 58.094 0.292 1
1 735 . 1 1 1 A 63 63 GLU CB C 63 29.644 30.497 -0.853 1
1 737 . 1 1 1 A 63 63 GLU N N 63 118.765 119.007 -0.242 1
1 738 . 1 1 1 A 64 64 TYR H H 64 8.098 8.888 -0.790 1
1 739 . 1 1 1 A 64 64 TYR HA H 64 4.395 4.344 0.051 1
1 746 . 1 1 1 A 64 64 TYR C C 64 177.639 178.347 -0.708 1
1 747 . 1 1 1 A 64 64 TYR CA C 64 60.006 60.802 -0.796 1
1 748 . 1 1 1 A 64 64 TYR CB C 64 38.198 38.084 0.114 1
1 753 . 1 1 1 A 64 64 TYR N N 64 119.914 119.665 0.249 1
1 754 . 1 1 1 A 65 65 LYS H H 65 8.225 9.370 -1.145 1
1 755 . 1 1 1 A 65 65 LYS HA H 65 4.146 3.940 0.206 1
1 764 . 1 1 1 A 65 65 LYS C C 65 177.481 178.028 -0.547 1
1 765 . 1 1 1 A 65 65 LYS CA C 65 58.793 59.893 -1.100 1
1 766 . 1 1 1 A 65 65 LYS CB C 65 32.523 31.834 0.689 1
1 770 . 1 1 1 A 65 65 LYS N N 65 122.842 122.043 0.799 1
1 771 . 1 1 1 A 66 66 ASP H H 66 8.402 8.230 0.172 1
1 772 . 1 1 1 A 66 66 ASP HA H 66 4.485 4.352 0.133 1
1 775 . 1 1 1 A 66 66 ASP C C 66 177.930 178.374 -0.444 1
1 776 . 1 1 1 A 66 66 ASP CA C 66 56.423 57.692 -1.269 1
1 777 . 1 1 1 A 66 66 ASP CB C 66 40.829 40.910 -0.081 1
1 778 . 1 1 1 A 66 66 ASP N N 66 120.424 119.588 0.836 1
1 779 . 1 1 1 A 67 67 ALA H H 67 7.989 7.928 0.061 1
1 780 . 1 1 1 A 67 67 ALA HA H 67 4.151 4.085 0.066 1
1 784 . 1 1 1 A 67 67 ALA C C 67 179.457 180.017 -0.560 1
1 785 . 1 1 1 A 67 67 ALA CA C 67 54.274 55.184 -0.910 1
1 786 . 1 1 1 A 67 67 ALA CB C 67 18.499 18.735 -0.236 1
1 787 . 1 1 1 A 67 67 ALA N N 67 122.273 121.335 0.938 1
1 788 . 1 1 1 A 68 68 PHE H H 68 8.235 8.246 -0.011 1
1 789 . 1 1 1 A 68 68 PHE HA H 68 4.314 4.093 0.221 1
1 796 . 1 1 1 A 68 68 PHE C C 68 177.421 176.393 1.028 1
1 797 . 1 1 1 A 68 68 PHE CA C 68 60.193 61.748 -1.555 1
1 798 . 1 1 1 A 68 68 PHE CB C 68 39.390 38.971 0.419 1
1 803 . 1 1 1 A 68 68 PHE N N 68 119.632 119.529 0.103 1
1 804 . 1 1 1 A 69 69 MET H H 69 8.325 8.719 -0.394 1
1 805 . 1 1 1 A 69 69 MET HA H 69 4.296 4.444 -0.148 1
1 813 . 1 1 1 A 69 69 MET C C 69 177.651 176.064 1.587 1
1 814 . 1 1 1 A 69 69 MET CA C 69 56.645 56.236 0.409 1
1 815 . 1 1 1 A 69 69 MET CB C 69 32.108 33.262 -1.154 1
1 818 . 1 1 1 A 69 69 MET N N 69 119.223 116.157 3.066 1
1 819 . 1 1 1 A 70 70 LYS H H 70 7.864 8.879 -1.015 1
1 820 . 1 1 1 A 70 70 LYS HA H 70 4.092 4.478 -0.386 1
1 829 . 1 1 1 A 70 70 LYS C C 70 177.009 175.824 1.185 1
1 830 . 1 1 1 A 70 70 LYS CA C 70 57.769 57.729 0.040 1
1 831 . 1 1 1 A 70 70 LYS CB C 70 32.687 34.686 -1.999 1
1 835 . 1 1 1 A 70 70 LYS N N 70 120.004 126.645 -6.641 1
1 836 . 1 1 1 A 71 71 ALA H H 71 7.670 8.234 -0.564 1
1 837 . 1 1 1 A 71 71 ALA HA H 71 4.264 4.388 -0.124 1
1 841 . 1 1 1 A 71 71 ALA C C 71 177.009 175.630 1.379 1
1 842 . 1 1 1 A 71 71 ALA CA C 71 52.603 51.489 1.114 1
1 843 . 1 1 1 A 71 71 ALA CB C 71 19.321 17.548 1.773 1
1 844 . 1 1 1 A 71 71 ALA N N 71 121.270 121.726 -0.456 1
1 845 . 1 1 1 A 72 72 ASN H H 72 7.846 7.649 0.197 1
1 846 . 1 1 1 A 72 72 ASN HA H 72 4.972 5.356 -0.384 1
1 851 . 1 1 1 A 72 72 ASN C C 72 172.453 173.942 -1.489 1
1 852 . 1 1 1 A 72 72 ASN CA C 72 51.185 50.217 0.968 1
1 853 . 1 1 1 A 72 72 ASN CB C 72 39.350 39.719 -0.369 1
1 854 . 1 1 1 A 72 72 ASN N N 72 117.432 119.202 -1.770 1
1 856 . 1 1 1 A 73 73 PRO HA H 73 4.465 4.502 -0.037 1
1 863 . 1 1 1 A 73 73 PRO C C 73 177.857 177.498 0.359 1
1 864 . 1 1 1 A 73 73 PRO CA C 73 63.972 65.220 -1.248 1
1 865 . 1 1 1 A 73 73 PRO CB C 73 31.884 32.170 -0.286 1
1 868 . 1 1 1 A 74 74 GLY H H 74 8.538 8.442 0.096 1
1 869 . 1 1 1 A 74 74 GLY HA2 H 74 3.881 3.998 -0.117 1
1 870 . 1 1 1 A 74 74 GLY HA3 H 74 3.957 4.028 -0.071 1
1 871 . 1 1 1 A 74 74 GLY C C 74 174.210 173.102 1.108 1
1 872 . 1 1 1 A 74 74 GLY CA C 74 45.216 46.608 -1.392 1
1 873 . 1 1 1 A 74 74 GLY N N 74 108.444 107.506 0.938 1
1 874 . 1 1 1 A 75 75 TYR H H 75 7.878 8.480 -0.602 1
1 875 . 1 1 1 A 75 75 TYR HA H 75 4.449 5.408 -0.959 1
1 882 . 1 1 1 A 75 75 TYR C C 75 175.640 172.748 2.892 1
1 883 . 1 1 1 A 75 75 TYR CA C 75 58.778 55.544 3.234 1
1 884 . 1 1 1 A 75 75 TYR CB C 75 38.856 41.239 -2.383 1
1 889 . 1 1 1 A 75 75 TYR N N 75 120.970 121.117 -0.147 1
1 890 . 1 1 1 A 76 76 ARG H H 76 8.039 9.232 -1.193 1
1 891 . 1 1 1 A 76 76 ARG HA H 76 4.346 5.119 -0.773 1
1 898 . 1 1 1 A 76 76 ARG C C 76 175.482 174.807 0.675 1
1 899 . 1 1 1 A 76 76 ARG CA C 76 55.510 54.203 1.307 1
1 900 . 1 1 1 A 76 76 ARG CB C 76 31.307 34.470 -3.163 1
1 903 . 1 1 1 A 76 76 ARG N N 76 124.540 119.910 4.630 1
1 904 . 1 1 1 A 77 77 SER HA H 77 4.430 5.011 -0.581 1
1 907 . 1 1 1 A 77 77 SER CA C 77 58.319 58.263 0.056 1
1 908 . 1 1 1 A 77 77 SER CB C 77 63.982 65.314 -1.332 1
1 909 . 1 1 1 A 78 78 GLY HA2 H 78 4.154 4.052 0.102 1
1 910 . 1 1 1 A 78 78 GLY HA3 H 78 4.154 4.053 0.101 1
1 911 . 1 1 1 A 78 78 GLY CA C 78 44.731 44.477 0.254 1
1 912 . 1 1 1 A 79 79 PRO HA H 79 4.495 4.753 -0.258 1
1 917 . 1 1 1 A 79 79 PRO CA C 79 63.366 62.562 0.804 1
1 918 . 1 1 1 A 79 79 PRO CB C 79 32.289 30.575 1.714 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.967 3.880 0.087 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.967 3.883 0.084 1
1 3 . 2 1 1 A 7 7 GLY C C 7 173.907 174.719 -0.812 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.273 46.193 -0.920 1
1 5 . 2 1 1 A 8 8 ALA H H 8 8.092 8.570 -0.478 1
1 6 . 2 1 1 A 8 8 ALA HA H 8 4.335 4.498 -0.163 1
1 10 . 2 1 1 A 8 8 ALA C C 8 177.772 175.867 1.905 1
1 11 . 2 1 1 A 8 8 ALA CA C 8 52.468 53.063 -0.595 1
1 12 . 2 1 1 A 8 8 ALA CB C 8 19.404 20.940 -1.536 1
1 13 . 2 1 1 A 8 8 ALA N N 8 123.589 127.306 -3.717 1
1 14 . 2 1 1 A 9 9 ARG H H 9 8.298 8.060 0.238 1
1 15 . 2 1 1 A 9 9 ARG HA H 9 4.348 4.443 -0.095 1
1 22 . 2 1 1 A 9 9 ARG C C 9 175.894 175.051 0.843 1
1 23 . 2 1 1 A 9 9 ARG CA C 9 55.999 54.889 1.110 1
1 24 . 2 1 1 A 9 9 ARG CB C 9 30.813 30.340 0.473 1
1 27 . 2 1 1 A 9 9 ARG N N 9 120.366 116.651 3.715 1
1 28 . 2 1 1 A 10 10 ARG H H 10 8.212 8.690 -0.478 1
1 29 . 2 1 1 A 10 10 ARG HA H 10 4.468 4.686 -0.218 1
1 36 . 2 1 1 A 10 10 ARG C C 10 173.810 173.524 0.286 1
1 37 . 2 1 1 A 10 10 ARG CA C 10 53.783 53.263 0.520 1
1 38 . 2 1 1 A 10 10 ARG CB C 10 30.384 30.403 -0.019 1
1 41 . 2 1 1 A 10 10 ARG N N 10 122.690 123.904 -1.214 1
1 42 . 2 1 1 A 11 11 PRO HA H 11 4.322 4.360 -0.038 1
1 49 . 2 1 1 A 11 11 PRO C C 11 176.427 176.470 -0.043 1
1 50 . 2 1 1 A 11 11 PRO CA C 11 62.905 62.121 0.784 1
1 51 . 2 1 1 A 11 11 PRO CB C 11 31.929 32.635 -0.706 1
1 54 . 2 1 1 A 12 12 MET H H 12 8.237 8.257 -0.020 1
1 55 . 2 1 1 A 12 12 MET HA H 12 4.441 4.525 -0.084 1
1 63 . 2 1 1 A 12 12 MET C C 12 175.094 176.145 -1.051 1
1 64 . 2 1 1 A 12 12 MET CA C 12 55.400 54.262 1.138 1
1 65 . 2 1 1 A 12 12 MET CB C 12 33.327 33.478 -0.151 1
1 68 . 2 1 1 A 12 12 MET N N 12 120.543 118.981 1.562 1
1 69 . 2 1 1 A 13 13 ASN H H 13 7.399 8.935 -1.536 1
1 70 . 2 1 1 A 13 13 ASN HA H 13 4.650 5.025 -0.375 1
1 75 . 2 1 1 A 13 13 ASN C C 13 174.743 176.831 -2.088 1
1 76 . 2 1 1 A 13 13 ASN CA C 13 52.456 52.733 -0.277 1
1 77 . 2 1 1 A 13 13 ASN CB C 13 39.513 39.768 -0.255 1
1 78 . 2 1 1 A 13 13 ASN N N 13 118.399 121.219 -2.820 1
1 80 . 2 1 1 A 14 14 ALA H H 14 8.681 8.846 -0.165 1
1 81 . 2 1 1 A 14 14 ALA HA H 14 3.964 4.230 -0.266 1
1 85 . 2 1 1 A 14 14 ALA C C 14 177.736 179.534 -1.798 1
1 86 . 2 1 1 A 14 14 ALA CA C 14 56.221 55.053 1.168 1
1 87 . 2 1 1 A 14 14 ALA CB C 14 19.568 18.540 1.028 1
1 88 . 2 1 1 A 14 14 ALA N N 14 122.169 122.863 -0.694 1
1 89 . 2 1 1 A 15 15 PHE H H 15 8.002 7.754 0.248 1
1 90 . 2 1 1 A 15 15 PHE HA H 15 2.866 2.273 0.593 1
1 98 . 2 1 1 A 15 15 PHE C C 15 177.821 176.450 1.371 1
1 99 . 2 1 1 A 15 15 PHE CA C 15 59.132 60.220 -1.088 1
1 100 . 2 1 1 A 15 15 PHE CB C 15 38.239 38.412 -0.173 1
1 106 . 2 1 1 A 15 15 PHE N N 15 116.867 119.213 -2.346 1
1 107 . 2 1 1 A 16 16 LEU H H 16 8.264 8.152 0.112 1
1 108 . 2 1 1 A 16 16 LEU HA H 16 3.642 3.836 -0.194 1
1 118 . 2 1 1 A 16 16 LEU C C 16 180.354 179.640 0.714 1
1 119 . 2 1 1 A 16 16 LEU CA C 16 58.236 57.581 0.655 1
1 120 . 2 1 1 A 16 16 LEU CB C 16 41.365 41.293 0.072 1
1 124 . 2 1 1 A 16 16 LEU N N 16 120.647 119.487 1.160 1
1 125 . 2 1 1 A 17 17 LEU H H 17 7.977 7.869 0.108 1
1 126 . 2 1 1 A 17 17 LEU HA H 17 4.065 3.892 0.173 1
1 136 . 2 1 1 A 17 17 LEU C C 17 178.984 179.090 -0.106 1
1 137 . 2 1 1 A 17 17 LEU CA C 17 58.165 58.250 -0.085 1
1 138 . 2 1 1 A 17 17 LEU CB C 17 41.693 42.162 -0.469 1
1 142 . 2 1 1 A 17 17 LEU N N 17 121.855 120.084 1.771 1
1 143 . 2 1 1 A 18 18 PHE H H 18 8.136 7.942 0.194 1
1 144 . 2 1 1 A 18 18 PHE HA H 18 3.769 4.015 -0.246 1
1 150 . 2 1 1 A 18 18 PHE C C 18 179.020 178.064 0.956 1
1 151 . 2 1 1 A 18 18 PHE CA C 18 62.333 61.638 0.695 1
1 152 . 2 1 1 A 18 18 PHE CB C 18 39.122 39.136 -0.014 1
1 156 . 2 1 1 A 18 18 PHE N N 18 122.907 118.376 4.531 1
1 157 . 2 1 1 A 19 19 CYS H H 19 8.520 7.600 0.920 1
1 158 . 2 1 1 A 19 19 CYS HA H 19 3.728 4.175 -0.447 1
1 161 . 2 1 1 A 19 19 CYS C C 19 176.136 177.242 -1.106 1
1 162 . 2 1 1 A 19 19 CYS CA C 19 64.313 62.465 1.848 1
1 163 . 2 1 1 A 19 19 CYS CB C 19 26.577 26.667 -0.090 1
1 164 . 2 1 1 A 19 19 CYS N N 19 119.069 117.542 1.527 1
1 165 . 2 1 1 A 20 20 LYS H H 20 7.969 8.047 -0.078 1
1 166 . 2 1 1 A 20 20 LYS HA H 20 3.953 4.120 -0.167 1
1 175 . 2 1 1 A 20 20 LYS C C 20 179.133 177.375 1.758 1
1 176 . 2 1 1 A 20 20 LYS CA C 20 59.295 58.395 0.900 1
1 177 . 2 1 1 A 20 20 LYS CB C 20 32.111 32.099 0.012 1
1 181 . 2 1 1 A 20 20 LYS N N 20 119.888 120.071 -0.183 1
1 182 . 2 1 1 A 21 21 ARG H H 21 7.493 7.767 -0.274 1
1 183 . 2 1 1 A 21 21 ARG HA H 21 4.166 4.312 -0.146 1
1 190 . 2 1 1 A 21 21 ARG C C 21 177.239 177.812 -0.573 1
1 191 . 2 1 1 A 21 21 ARG CA C 21 57.575 58.124 -0.549 1
1 192 . 2 1 1 A 21 21 ARG CB C 21 30.137 31.187 -1.050 1
1 195 . 2 1 1 A 21 21 ARG N N 21 116.105 118.428 -2.323 1
1 196 . 2 1 1 A 22 22 HIS H H 22 7.354 8.473 -1.119 1
1 197 . 2 1 1 A 22 22 HIS HA H 22 4.706 4.426 0.280 1
1 201 . 2 1 1 A 22 22 HIS C C 22 175.627 176.718 -1.091 1
1 202 . 2 1 1 A 22 22 HIS CA C 22 58.593 59.347 -0.754 1
1 203 . 2 1 1 A 22 22 HIS CB C 22 30.754 29.192 1.562 1
1 205 . 2 1 1 A 22 22 HIS N N 22 113.808 117.651 -3.843 1
1 206 . 2 1 1 A 23 23 ARG H H 23 8.372 8.319 0.053 1
1 207 . 2 1 1 A 23 23 ARG HA H 23 3.793 3.808 -0.015 1
1 214 . 2 1 1 A 23 23 ARG C C 23 177.930 178.139 -0.209 1
1 215 . 2 1 1 A 23 23 ARG CA C 23 60.747 59.490 1.257 1
1 216 . 2 1 1 A 23 23 ARG CB C 23 29.251 30.296 -1.045 1
1 219 . 2 1 1 A 23 23 ARG N N 23 123.560 120.434 3.126 1
1 220 . 2 1 1 A 24 24 SER HA H 24 4.163 4.124 0.039 1
1 223 . 2 1 1 A 24 24 SER CA C 24 61.523 62.065 -0.542 1
1 224 . 2 1 1 A 24 24 SER CB C 24 62.116 62.979 -0.863 1
1 225 . 2 1 1 A 25 25 LEU H H 25 7.504 8.172 -0.668 1
1 226 . 2 1 1 A 25 25 LEU HA H 25 4.265 4.025 0.240 1
1 236 . 2 1 1 A 25 25 LEU C C 25 179.336 178.773 0.563 1
1 237 . 2 1 1 A 25 25 LEU CA C 25 57.837 58.643 -0.806 1
1 238 . 2 1 1 A 25 25 LEU CB C 25 41.470 42.248 -0.778 1
1 242 . 2 1 1 A 25 25 LEU N N 25 124.174 122.905 1.269 1
1 243 . 2 1 1 A 26 26 VAL H H 26 7.802 8.120 -0.318 1
1 244 . 2 1 1 A 26 26 VAL HA H 26 3.833 3.625 0.208 1
1 252 . 2 1 1 A 26 26 VAL C C 26 177.712 178.033 -0.321 1
1 253 . 2 1 1 A 26 26 VAL CA C 26 66.662 67.058 -0.396 1
1 254 . 2 1 1 A 26 26 VAL CB C 26 31.670 31.201 0.469 1
1 257 . 2 1 1 A 26 26 VAL N N 26 119.266 119.012 0.254 1
1 258 . 2 1 1 A 27 27 ARG H H 27 7.922 8.611 -0.689 1
1 259 . 2 1 1 A 27 27 ARG HA H 27 4.043 4.012 0.031 1
1 266 . 2 1 1 A 27 27 ARG C C 27 177.785 178.884 -1.099 1
1 267 . 2 1 1 A 27 27 ARG CA C 27 58.683 60.030 -1.347 1
1 268 . 2 1 1 A 27 27 ARG CB C 27 29.720 30.070 -0.350 1
1 271 . 2 1 1 A 27 27 ARG N N 27 118.035 119.249 -1.214 1
1 272 . 2 1 1 A 28 28 GLN H H 28 7.707 8.371 -0.664 1
1 273 . 2 1 1 A 28 28 GLN HA H 28 4.092 4.170 -0.078 1
1 280 . 2 1 1 A 28 28 GLN C C 28 177.785 178.755 -0.970 1
1 281 . 2 1 1 A 28 28 GLN CA C 28 58.233 58.716 -0.483 1
1 282 . 2 1 1 A 28 28 GLN CB C 28 29.191 28.725 0.466 1
1 284 . 2 1 1 A 28 28 GLN N N 28 116.893 118.599 -1.706 1
1 286 . 2 1 1 A 29 29 GLU H H 29 7.864 8.558 -0.694 1
1 287 . 2 1 1 A 29 29 GLU HA H 29 4.131 3.982 0.149 1
1 292 . 2 1 1 A 29 29 GLU C C 29 176.246 176.094 0.152 1
1 293 . 2 1 1 A 29 29 GLU CA C 29 57.808 58.910 -1.102 1
1 294 . 2 1 1 A 29 29 GLU CB C 29 31.004 29.607 1.397 1
1 296 . 2 1 1 A 29 29 GLU N N 29 116.949 118.753 -1.804 1
1 297 . 2 1 1 A 30 30 HIS H H 30 8.058 8.633 -0.575 1
1 298 . 2 1 1 A 30 30 HIS HA H 30 5.071 5.108 -0.037 1
1 303 . 2 1 1 A 30 30 HIS C C 30 173.519 173.987 -0.468 1
1 304 . 2 1 1 A 30 30 HIS CA C 30 53.347 53.265 0.082 1
1 305 . 2 1 1 A 30 30 HIS CB C 30 30.649 29.785 0.864 1
1 308 . 2 1 1 A 30 30 HIS N N 30 116.711 117.039 -0.328 1
1 309 . 2 1 1 A 31 31 PRO HA H 31 4.648 4.487 0.161 1
1 316 . 2 1 1 A 31 31 PRO C C 31 178.197 179.133 -0.936 1
1 317 . 2 1 1 A 31 31 PRO CA C 31 64.911 65.062 -0.151 1
1 318 . 2 1 1 A 31 31 PRO CB C 31 32.458 32.082 0.376 1
1 321 . 2 1 1 A 32 32 ARG H H 32 8.617 8.405 0.212 1
1 322 . 2 1 1 A 32 32 ARG HA H 32 4.406 4.073 0.333 1
1 329 . 2 1 1 A 32 32 ARG C C 32 176.815 177.349 -0.534 1
1 330 . 2 1 1 A 32 32 ARG CA C 32 55.959 59.159 -3.200 1
1 331 . 2 1 1 A 32 32 ARG CB C 32 29.808 30.012 -0.204 1
1 334 . 2 1 1 A 32 32 ARG N N 32 116.125 117.957 -1.832 1
1 335 . 2 1 1 A 33 33 LEU H H 33 7.421 7.635 -0.214 1
1 336 . 2 1 1 A 33 33 LEU HA H 33 4.409 4.266 0.143 1
1 346 . 2 1 1 A 33 33 LEU C C 33 177.349 176.185 1.164 1
1 347 . 2 1 1 A 33 33 LEU CA C 33 55.140 55.458 -0.318 1
1 348 . 2 1 1 A 33 33 LEU CB C 33 43.420 42.427 0.993 1
1 352 . 2 1 1 A 33 33 LEU N N 33 120.576 121.027 -0.451 1
1 353 . 2 1 1 A 34 34 ASP H H 34 8.168 8.426 -0.258 1
1 354 . 2 1 1 A 34 34 ASP HA H 34 4.646 4.963 -0.317 1
1 357 . 2 1 1 A 34 34 ASP C C 34 175.821 176.702 -0.881 1
1 358 . 2 1 1 A 34 34 ASP CA C 34 52.415 52.589 -0.174 1
1 359 . 2 1 1 A 34 34 ASP CB C 34 41.177 43.341 -2.164 1
1 360 . 2 1 1 A 34 34 ASP N N 34 122.502 123.630 -1.128 1
1 361 . 2 1 1 A 35 35 ASN HA H 35 4.395 4.317 0.078 1
1 366 . 2 1 1 A 35 35 ASN CA C 35 57.033 56.708 0.325 1
1 367 . 2 1 1 A 35 35 ASN CB C 35 38.344 38.366 -0.022 1
1 369 . 2 1 1 A 36 36 ARG HA H 36 4.096 4.000 0.096 1
1 376 . 2 1 1 A 36 36 ARG C C 36 179.554 178.693 0.861 1
1 377 . 2 1 1 A 36 36 ARG CA C 36 59.527 59.268 0.259 1
1 378 . 2 1 1 A 36 36 ARG CB C 36 29.626 29.699 -0.073 1
1 381 . 2 1 1 A 37 37 GLY H H 37 8.618 8.429 0.189 1
1 382 . 2 1 1 A 37 37 GLY HA2 H 37 3.888 3.796 0.092 1
1 383 . 2 1 1 A 37 37 GLY HA3 H 37 3.754 3.800 -0.046 1
1 384 . 2 1 1 A 37 37 GLY C C 37 176.597 175.933 0.664 1
1 385 . 2 1 1 A 37 37 GLY CA C 37 47.048 47.087 -0.039 1
1 386 . 2 1 1 A 37 37 GLY N N 37 110.017 107.662 2.355 1
1 387 . 2 1 1 A 38 38 ALA H H 38 8.619 8.511 0.108 1
1 388 . 2 1 1 A 38 38 ALA HA H 38 3.945 3.872 0.073 1
1 392 . 2 1 1 A 38 38 ALA C C 38 178.924 179.649 -0.725 1
1 393 . 2 1 1 A 38 38 ALA CA C 38 55.123 54.698 0.425 1
1 394 . 2 1 1 A 38 38 ALA CB C 38 18.046 18.166 -0.120 1
1 395 . 2 1 1 A 38 38 ALA N N 38 124.889 124.186 0.703 1
1 396 . 2 1 1 A 39 39 THR H H 39 8.239 7.813 0.426 1
1 397 . 2 1 1 A 39 39 THR HA H 39 3.895 3.790 0.105 1
1 402 . 2 1 1 A 39 39 THR C C 39 175.252 176.305 -1.053 1
1 403 . 2 1 1 A 39 39 THR CA C 39 66.889 66.912 -0.023 1
1 404 . 2 1 1 A 39 39 THR CB C 39 68.607 68.482 0.125 1
1 406 . 2 1 1 A 39 39 THR N N 39 114.810 113.952 0.858 1
1 407 . 2 1 1 A 40 40 LYS H H 40 7.518 8.056 -0.538 1
1 408 . 2 1 1 A 40 40 LYS HA H 40 4.098 3.920 0.178 1
1 417 . 2 1 1 A 40 40 LYS C C 40 178.330 179.272 -0.942 1
1 418 . 2 1 1 A 40 40 LYS CA C 40 59.746 59.701 0.045 1
1 419 . 2 1 1 A 40 40 LYS CB C 40 32.106 32.542 -0.436 1
1 423 . 2 1 1 A 40 40 LYS N N 40 122.046 119.923 2.123 1
1 424 . 2 1 1 A 41 41 ILE H H 41 7.218 7.726 -0.508 1
1 425 . 2 1 1 A 41 41 ILE HA H 41 3.722 3.582 0.140 1
1 435 . 2 1 1 A 41 41 ILE C C 41 178.197 178.075 0.122 1
1 436 . 2 1 1 A 41 41 ILE CA C 41 64.055 65.271 -1.216 1
1 437 . 2 1 1 A 41 41 ILE CB C 41 36.482 37.596 -1.114 1
1 441 . 2 1 1 A 41 41 ILE N N 41 119.019 120.784 -1.765 1
1 442 . 2 1 1 A 42 42 LEU H H 42 7.940 8.138 -0.198 1
1 443 . 2 1 1 A 42 42 LEU HA H 42 3.988 3.638 0.350 1
1 453 . 2 1 1 A 42 42 LEU C C 42 179.251 179.140 0.111 1
1 454 . 2 1 1 A 42 42 LEU CA C 42 58.605 57.594 1.011 1
1 455 . 2 1 1 A 42 42 LEU CB C 42 41.694 40.858 0.836 1
1 459 . 2 1 1 A 42 42 LEU N N 42 119.163 119.207 -0.044 1
1 460 . 2 1 1 A 43 43 ALA H H 43 8.732 8.363 0.369 1
1 461 . 2 1 1 A 43 43 ALA HA H 43 4.222 4.368 -0.146 1
1 465 . 2 1 1 A 43 43 ALA C C 43 180.899 179.141 1.758 1
1 466 . 2 1 1 A 43 43 ALA CA C 43 55.699 55.651 0.048 1
1 467 . 2 1 1 A 43 43 ALA CB C 43 17.859 18.655 -0.796 1
1 468 . 2 1 1 A 43 43 ALA N N 43 122.225 121.843 0.382 1
1 469 . 2 1 1 A 44 44 ASP H H 44 8.350 8.162 0.188 1
1 470 . 2 1 1 A 44 44 ASP HA H 44 4.545 4.401 0.144 1
1 473 . 2 1 1 A 44 44 ASP C C 44 179.227 178.750 0.477 1
1 474 . 2 1 1 A 44 44 ASP CA C 44 57.507 57.435 0.072 1
1 475 . 2 1 1 A 44 44 ASP CB C 44 39.719 41.399 -1.680 1
1 476 . 2 1 1 A 44 44 ASP N N 44 122.950 118.533 4.417 1
1 477 . 2 1 1 A 45 45 TRP H H 45 8.831 8.499 0.332 1
1 478 . 2 1 1 A 45 45 TRP HA H 45 4.692 4.350 0.342 1
1 487 . 2 1 1 A 45 45 TRP C C 45 179.057 178.823 0.234 1
1 488 . 2 1 1 A 45 45 TRP CA C 45 58.008 59.935 -1.927 1
1 489 . 2 1 1 A 45 45 TRP CB C 45 29.520 29.761 -0.241 1
1 495 . 2 1 1 A 45 45 TRP N N 45 122.321 120.292 2.029 1
1 497 . 2 1 1 A 46 46 TRP H H 46 8.921 7.998 0.923 1
1 498 . 2 1 1 A 46 46 TRP HA H 46 3.733 3.464 0.269 1
1 507 . 2 1 1 A 46 46 TRP C C 46 177.664 177.999 -0.335 1
1 508 . 2 1 1 A 46 46 TRP CA C 46 59.279 60.581 -1.302 1
1 509 . 2 1 1 A 46 46 TRP CB C 46 30.508 29.034 1.474 1
1 515 . 2 1 1 A 46 46 TRP N N 46 120.243 121.328 -1.085 1
1 517 . 2 1 1 A 47 47 ALA H H 47 7.918 9.191 -1.273 1
1 518 . 2 1 1 A 47 47 ALA HA H 47 3.918 4.174 -0.256 1
1 522 . 2 1 1 A 47 47 ALA C C 47 179.978 178.165 1.813 1
1 523 . 2 1 1 A 47 47 ALA CA C 47 55.011 54.982 0.029 1
1 524 . 2 1 1 A 47 47 ALA CB C 47 18.581 18.614 -0.033 1
1 525 . 2 1 1 A 47 47 ALA N N 47 117.935 121.415 -3.480 1
1 526 . 2 1 1 A 48 48 VAL H H 48 7.106 7.529 -0.423 1
1 527 . 2 1 1 A 48 48 VAL HA H 48 4.378 4.457 -0.079 1
1 535 . 2 1 1 A 48 48 VAL C C 48 175.627 174.562 1.065 1
1 536 . 2 1 1 A 48 48 VAL CA C 48 60.641 60.315 0.326 1
1 537 . 2 1 1 A 48 48 VAL CB C 48 31.865 31.483 0.382 1
1 540 . 2 1 1 A 48 48 VAL N N 48 107.757 108.303 -0.546 1
1 541 . 2 1 1 A 49 49 LEU H H 49 7.008 7.386 -0.378 1
1 542 . 2 1 1 A 49 49 LEU HA H 49 3.948 5.158 -1.210 1
1 552 . 2 1 1 A 49 49 LEU C C 49 176.258 174.155 2.103 1
1 553 . 2 1 1 A 49 49 LEU CA C 49 55.032 53.285 1.747 1
1 554 . 2 1 1 A 49 49 LEU CB C 49 42.822 45.991 -3.169 1
1 558 . 2 1 1 A 49 49 LEU N N 49 125.594 124.544 1.050 1
1 559 . 2 1 1 A 50 50 ASP H H 50 8.485 8.738 -0.253 1
1 560 . 2 1 1 A 50 50 ASP HA H 50 4.643 4.820 -0.177 1
1 563 . 2 1 1 A 50 50 ASP CA C 50 52.855 52.553 0.302 1
1 564 . 2 1 1 A 50 50 ASP CB C 50 42.605 40.751 1.854 1
1 565 . 2 1 1 A 51 51 PRO HA H 51 4.025 4.238 -0.213 1
1 572 . 2 1 1 A 51 51 PRO C C 51 179.166 178.851 0.315 1
1 573 . 2 1 1 A 51 51 PRO CA C 51 65.861 65.132 0.729 1
1 574 . 2 1 1 A 51 51 PRO CB C 51 32.458 31.797 0.661 1
1 577 . 2 1 1 A 52 52 LYS H H 52 8.866 8.349 0.517 1
1 578 . 2 1 1 A 52 52 LYS HA H 52 4.165 4.009 0.156 1
1 585 . 2 1 1 A 52 52 LYS C C 52 179.542 179.163 0.379 1
1 586 . 2 1 1 A 52 52 LYS CA C 52 59.484 59.501 -0.017 1
1 587 . 2 1 1 A 52 52 LYS CB C 52 31.906 32.299 -0.393 1
1 591 . 2 1 1 A 52 52 LYS N N 52 118.625 118.564 0.061 1
1 592 . 2 1 1 A 53 53 GLU H H 53 7.727 8.141 -0.414 1
1 593 . 2 1 1 A 53 53 GLU HA H 53 4.343 4.084 0.259 1
1 598 . 2 1 1 A 53 53 GLU C C 53 179.335 179.408 -0.073 1
1 599 . 2 1 1 A 53 53 GLU CA C 53 58.355 59.463 -1.108 1
1 600 . 2 1 1 A 53 53 GLU CB C 53 29.726 29.178 0.548 1
1 602 . 2 1 1 A 53 53 GLU N N 53 120.460 119.685 0.775 1
1 603 . 2 1 1 A 54 54 LYS H H 54 8.194 7.481 0.713 1
1 604 . 2 1 1 A 54 54 LYS HA H 54 3.949 4.330 -0.381 1
1 613 . 2 1 1 A 54 54 LYS C C 54 179.566 178.863 0.703 1
1 614 . 2 1 1 A 54 54 LYS CA C 54 60.920 59.727 1.193 1
1 615 . 2 1 1 A 54 54 LYS CB C 54 32.481 32.143 0.338 1
1 619 . 2 1 1 A 54 54 LYS N N 54 118.859 118.858 0.001 1
1 620 . 2 1 1 A 55 55 GLN H H 55 7.965 8.487 -0.522 1
1 621 . 2 1 1 A 55 55 GLN HA H 55 4.025 4.090 -0.065 1
1 628 . 2 1 1 A 55 55 GLN C C 55 177.154 178.020 -0.866 1
1 629 . 2 1 1 A 55 55 GLN CA C 55 58.064 58.851 -0.787 1
1 630 . 2 1 1 A 55 55 GLN CB C 55 28.163 28.890 -0.727 1
1 632 . 2 1 1 A 55 55 GLN N N 55 117.922 119.673 -1.751 1
1 634 . 2 1 1 A 56 56 LYS H H 56 7.483 7.827 -0.344 1
1 635 . 2 1 1 A 56 56 LYS HA H 56 4.205 4.088 0.117 1
1 644 . 2 1 1 A 56 56 LYS C C 56 179.772 178.219 1.553 1
1 645 . 2 1 1 A 56 56 LYS CA C 56 59.671 59.043 0.628 1
1 646 . 2 1 1 A 56 56 LYS CB C 56 31.700 32.034 -0.334 1
1 650 . 2 1 1 A 56 56 LYS N N 56 118.491 119.167 -0.676 1
1 651 . 2 1 1 A 57 57 TYR H H 57 7.707 7.914 -0.207 1
1 652 . 2 1 1 A 57 57 TYR HA H 57 4.344 4.486 -0.142 1
1 659 . 2 1 1 A 57 57 TYR C C 57 177.966 178.844 -0.878 1
1 660 . 2 1 1 A 57 57 TYR CA C 57 62.784 60.539 2.245 1
1 661 . 2 1 1 A 57 57 TYR CB C 57 38.973 37.901 1.072 1
1 666 . 2 1 1 A 57 57 TYR N N 57 117.968 119.603 -1.635 1
1 667 . 2 1 1 A 58 58 THR H H 58 8.458 9.422 -0.964 1
1 668 . 2 1 1 A 58 58 THR HA H 58 4.074 4.244 -0.170 1
1 673 . 2 1 1 A 58 58 THR C C 58 177.203 176.196 1.007 1
1 674 . 2 1 1 A 58 58 THR CA C 58 67.168 66.187 0.981 1
1 675 . 2 1 1 A 58 58 THR CB C 58 68.401 68.532 -0.131 1
1 677 . 2 1 1 A 58 58 THR N N 58 118.700 115.555 3.145 1
1 678 . 2 1 1 A 59 59 ASP H H 59 8.807 8.301 0.506 1
1 679 . 2 1 1 A 59 59 ASP HA H 59 4.514 4.431 0.083 1
1 682 . 2 1 1 A 59 59 ASP C C 59 179.154 178.393 0.761 1
1 683 . 2 1 1 A 59 59 ASP CA C 59 57.754 57.262 0.492 1
1 684 . 2 1 1 A 59 59 ASP CB C 59 39.801 41.009 -1.208 1
1 685 . 2 1 1 A 59 59 ASP N N 59 123.812 120.987 2.825 1
1 686 . 2 1 1 A 60 60 MET H H 60 8.085 8.282 -0.197 1
1 687 . 2 1 1 A 60 60 MET HA H 60 4.161 4.120 0.041 1
1 695 . 2 1 1 A 60 60 MET C C 60 178.378 178.550 -0.172 1
1 696 . 2 1 1 A 60 60 MET CA C 60 58.980 59.195 -0.215 1
1 697 . 2 1 1 A 60 60 MET CB C 60 34.227 32.512 1.715 1
1 700 . 2 1 1 A 60 60 MET N N 60 120.481 118.143 2.338 1
1 701 . 2 1 1 A 61 61 ALA H H 61 8.296 8.134 0.162 1
1 702 . 2 1 1 A 61 61 ALA HA H 61 4.114 4.352 -0.238 1
1 706 . 2 1 1 A 61 61 ALA C C 61 179.408 179.328 0.080 1
1 707 . 2 1 1 A 61 61 ALA CA C 61 54.935 55.567 -0.632 1
1 708 . 2 1 1 A 61 61 ALA CB C 61 17.759 18.019 -0.260 1
1 709 . 2 1 1 A 61 61 ALA N N 61 121.147 121.094 0.053 1
1 710 . 2 1 1 A 62 62 LYS H H 62 7.812 7.748 0.064 1
1 711 . 2 1 1 A 62 62 LYS HA H 62 4.177 3.995 0.182 1
1 720 . 2 1 1 A 62 62 LYS C C 62 177.979 178.887 -0.908 1
1 721 . 2 1 1 A 62 62 LYS CA C 62 59.289 59.913 -0.624 1
1 722 . 2 1 1 A 62 62 LYS CB C 62 32.539 32.670 -0.131 1
1 726 . 2 1 1 A 62 62 LYS N N 62 119.686 118.497 1.189 1
1 727 . 2 1 1 A 63 63 GLU H H 63 7.810 8.629 -0.819 1
1 728 . 2 1 1 A 63 63 GLU HA H 63 4.216 4.079 0.137 1
1 733 . 2 1 1 A 63 63 GLU C C 63 178.597 179.172 -0.575 1
1 734 . 2 1 1 A 63 63 GLU CA C 63 58.386 59.013 -0.627 1
1 735 . 2 1 1 A 63 63 GLU CB C 63 29.644 29.457 0.187 1
1 737 . 2 1 1 A 63 63 GLU N N 63 118.765 118.388 0.377 1
1 738 . 2 1 1 A 64 64 TYR H H 64 8.098 8.378 -0.280 1
1 739 . 2 1 1 A 64 64 TYR HA H 64 4.395 4.355 0.040 1
1 746 . 2 1 1 A 64 64 TYR C C 64 177.639 178.424 -0.785 1
1 747 . 2 1 1 A 64 64 TYR CA C 64 60.006 61.075 -1.069 1
1 748 . 2 1 1 A 64 64 TYR CB C 64 38.198 38.065 0.133 1
1 753 . 2 1 1 A 64 64 TYR N N 64 119.914 119.838 0.076 1
1 754 . 2 1 1 A 65 65 LYS H H 65 8.225 9.009 -0.784 1
1 755 . 2 1 1 A 65 65 LYS HA H 65 4.146 4.122 0.024 1
1 764 . 2 1 1 A 65 65 LYS C C 65 177.481 178.261 -0.780 1
1 765 . 2 1 1 A 65 65 LYS CA C 65 58.793 59.740 -0.947 1
1 766 . 2 1 1 A 65 65 LYS CB C 65 32.523 32.071 0.452 1
1 770 . 2 1 1 A 65 65 LYS N N 65 122.842 121.948 0.894 1
1 771 . 2 1 1 A 66 66 ASP H H 66 8.402 8.238 0.164 1
1 772 . 2 1 1 A 66 66 ASP HA H 66 4.485 4.324 0.161 1
1 775 . 2 1 1 A 66 66 ASP C C 66 177.930 178.534 -0.604 1
1 776 . 2 1 1 A 66 66 ASP CA C 66 56.423 57.820 -1.397 1
1 777 . 2 1 1 A 66 66 ASP CB C 66 40.829 41.162 -0.333 1
1 778 . 2 1 1 A 66 66 ASP N N 66 120.424 119.394 1.030 1
1 779 . 2 1 1 A 67 67 ALA H H 67 7.989 7.971 0.018 1
1 780 . 2 1 1 A 67 67 ALA HA H 67 4.151 4.134 0.017 1
1 784 . 2 1 1 A 67 67 ALA C C 67 179.457 179.729 -0.272 1
1 785 . 2 1 1 A 67 67 ALA CA C 67 54.274 55.123 -0.849 1
1 786 . 2 1 1 A 67 67 ALA CB C 67 18.499 18.784 -0.285 1
1 787 . 2 1 1 A 67 67 ALA N N 67 122.273 121.743 0.530 1
1 788 . 2 1 1 A 68 68 PHE H H 68 8.235 8.760 -0.525 1
1 789 . 2 1 1 A 68 68 PHE HA H 68 4.314 4.033 0.281 1
1 796 . 2 1 1 A 68 68 PHE C C 68 177.421 176.573 0.848 1
1 797 . 2 1 1 A 68 68 PHE CA C 68 60.193 61.762 -1.569 1
1 798 . 2 1 1 A 68 68 PHE CB C 68 39.390 39.522 -0.132 1
1 803 . 2 1 1 A 68 68 PHE N N 68 119.632 119.242 0.390 1
1 804 . 2 1 1 A 69 69 MET H H 69 8.325 8.303 0.022 1
1 805 . 2 1 1 A 69 69 MET HA H 69 4.296 3.698 0.598 1
1 813 . 2 1 1 A 69 69 MET C C 69 177.651 175.618 2.033 1
1 814 . 2 1 1 A 69 69 MET CA C 69 56.645 56.084 0.561 1
1 815 . 2 1 1 A 69 69 MET CB C 69 32.108 32.434 -0.326 1
1 818 . 2 1 1 A 69 69 MET N N 69 119.223 116.652 2.571 1
1 819 . 2 1 1 A 70 70 LYS H H 70 7.864 8.477 -0.613 1
1 820 . 2 1 1 A 70 70 LYS HA H 70 4.092 4.480 -0.388 1
1 829 . 2 1 1 A 70 70 LYS C C 70 177.009 175.485 1.524 1
1 830 . 2 1 1 A 70 70 LYS CA C 70 57.769 57.622 0.147 1
1 831 . 2 1 1 A 70 70 LYS CB C 70 32.687 34.833 -2.146 1
1 835 . 2 1 1 A 70 70 LYS N N 70 120.004 126.438 -6.434 1
1 836 . 2 1 1 A 71 71 ALA H H 71 7.670 8.123 -0.453 1
1 837 . 2 1 1 A 71 71 ALA HA H 71 4.264 4.398 -0.134 1
1 841 . 2 1 1 A 71 71 ALA C C 71 177.009 175.813 1.196 1
1 842 . 2 1 1 A 71 71 ALA CA C 71 52.603 50.883 1.720 1
1 843 . 2 1 1 A 71 71 ALA CB C 71 19.321 17.842 1.479 1
1 844 . 2 1 1 A 71 71 ALA N N 71 121.270 122.287 -1.017 1
1 845 . 2 1 1 A 72 72 ASN H H 72 7.846 8.119 -0.273 1
1 846 . 2 1 1 A 72 72 ASN HA H 72 4.972 5.282 -0.310 1
1 851 . 2 1 1 A 72 72 ASN C C 72 172.453 172.956 -0.503 1
1 852 . 2 1 1 A 72 72 ASN CA C 72 51.185 50.037 1.148 1
1 853 . 2 1 1 A 72 72 ASN CB C 72 39.350 40.404 -1.054 1
1 854 . 2 1 1 A 72 72 ASN N N 72 117.432 119.523 -2.091 1
1 856 . 2 1 1 A 73 73 PRO HA H 73 4.465 4.414 0.051 1
1 863 . 2 1 1 A 73 73 PRO C C 73 177.857 177.231 0.626 1
1 864 . 2 1 1 A 73 73 PRO CA C 73 63.972 63.477 0.495 1
1 865 . 2 1 1 A 73 73 PRO CB C 73 31.884 32.481 -0.597 1
1 868 . 2 1 1 A 74 74 GLY H H 74 8.538 8.839 -0.301 1
1 869 . 2 1 1 A 74 74 GLY HA2 H 74 3.881 3.937 -0.056 1
1 870 . 2 1 1 A 74 74 GLY HA3 H 74 3.957 3.961 -0.004 1
1 871 . 2 1 1 A 74 74 GLY C C 74 174.210 173.888 0.322 1
1 872 . 2 1 1 A 74 74 GLY CA C 74 45.216 45.721 -0.505 1
1 873 . 2 1 1 A 74 74 GLY N N 74 108.444 110.672 -2.228 1
1 874 . 2 1 1 A 75 75 TYR H H 75 7.878 8.200 -0.322 1
1 875 . 2 1 1 A 75 75 TYR HA H 75 4.449 4.465 -0.016 1
1 882 . 2 1 1 A 75 75 TYR C C 75 175.640 175.383 0.257 1
1 883 . 2 1 1 A 75 75 TYR CA C 75 58.778 58.934 -0.156 1
1 884 . 2 1 1 A 75 75 TYR CB C 75 38.856 39.495 -0.639 1
1 889 . 2 1 1 A 75 75 TYR N N 75 120.970 122.195 -1.225 1
1 890 . 2 1 1 A 76 76 ARG H H 76 8.039 8.893 -0.854 1
1 891 . 2 1 1 A 76 76 ARG HA H 76 4.346 4.126 0.220 1
1 898 . 2 1 1 A 76 76 ARG C C 76 175.482 175.554 -0.072 1
1 899 . 2 1 1 A 76 76 ARG CA C 76 55.510 56.333 -0.823 1
1 900 . 2 1 1 A 76 76 ARG CB C 76 31.307 32.772 -1.465 1
1 903 . 2 1 1 A 76 76 ARG N N 76 124.540 124.281 0.259 1
1 904 . 2 1 1 A 77 77 SER HA H 77 4.430 4.924 -0.494 1
1 907 . 2 1 1 A 77 77 SER CA C 77 58.319 57.452 0.867 1
1 908 . 2 1 1 A 77 77 SER CB C 77 63.982 63.843 0.139 1
1 909 . 2 1 1 A 78 78 GLY HA2 H 78 4.154 4.118 0.036 1
1 910 . 2 1 1 A 78 78 GLY HA3 H 78 4.154 4.142 0.012 1
1 911 . 2 1 1 A 78 78 GLY CA C 78 44.731 44.839 -0.108 1
1 912 . 2 1 1 A 79 79 PRO HA H 79 4.495 4.677 -0.182 1
1 917 . 2 1 1 A 79 79 PRO CA C 79 63.366 62.561 0.805 1
1 918 . 2 1 1 A 79 79 PRO CB C 79 32.289 33.382 -1.093 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.967 4.010 -0.043 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.967 4.019 -0.052 1
1 3 . 3 1 1 A 7 7 GLY C C 7 173.907 174.102 -0.195 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.273 45.787 -0.514 1
1 5 . 3 1 1 A 8 8 ALA H H 8 8.092 8.162 -0.070 1
1 6 . 3 1 1 A 8 8 ALA HA H 8 4.335 4.434 -0.099 1
1 10 . 3 1 1 A 8 8 ALA C C 8 177.772 176.067 1.705 1
1 11 . 3 1 1 A 8 8 ALA CA C 8 52.468 51.417 1.051 1
1 12 . 3 1 1 A 8 8 ALA CB C 8 19.404 17.612 1.792 1
1 13 . 3 1 1 A 8 8 ALA N N 8 123.589 127.325 -3.736 1
1 14 . 3 1 1 A 9 9 ARG H H 9 8.298 8.038 0.260 1
1 15 . 3 1 1 A 9 9 ARG HA H 9 4.348 4.541 -0.193 1
1 22 . 3 1 1 A 9 9 ARG C C 9 175.894 174.656 1.238 1
1 23 . 3 1 1 A 9 9 ARG CA C 9 55.999 55.853 0.146 1
1 24 . 3 1 1 A 9 9 ARG CB C 9 30.813 33.265 -2.452 1
1 27 . 3 1 1 A 9 9 ARG N N 9 120.366 121.691 -1.325 1
1 28 . 3 1 1 A 10 10 ARG H H 10 8.212 8.806 -0.594 1
1 29 . 3 1 1 A 10 10 ARG HA H 10 4.468 4.104 0.364 1
1 36 . 3 1 1 A 10 10 ARG C C 10 173.810 174.866 -1.056 1
1 37 . 3 1 1 A 10 10 ARG CA C 10 53.783 57.765 -3.982 1
1 38 . 3 1 1 A 10 10 ARG CB C 10 30.384 29.162 1.222 1
1 41 . 3 1 1 A 10 10 ARG N N 10 122.690 124.296 -1.606 1
1 42 . 3 1 1 A 11 11 PRO HA H 11 4.322 3.869 0.453 1
1 49 . 3 1 1 A 11 11 PRO C C 11 176.427 176.157 0.270 1
1 50 . 3 1 1 A 11 11 PRO CA C 11 62.905 61.913 0.992 1
1 51 . 3 1 1 A 11 11 PRO CB C 11 31.929 31.884 0.045 1
1 54 . 3 1 1 A 12 12 MET H H 12 8.237 8.193 0.044 1
1 55 . 3 1 1 A 12 12 MET HA H 12 4.441 4.603 -0.162 1
1 63 . 3 1 1 A 12 12 MET C C 12 175.094 175.927 -0.833 1
1 64 . 3 1 1 A 12 12 MET CA C 12 55.400 54.394 1.006 1
1 65 . 3 1 1 A 12 12 MET CB C 12 33.327 33.355 -0.028 1
1 68 . 3 1 1 A 12 12 MET N N 12 120.543 118.988 1.555 1
1 69 . 3 1 1 A 13 13 ASN H H 13 7.399 8.808 -1.409 1
1 70 . 3 1 1 A 13 13 ASN HA H 13 4.650 4.960 -0.310 1
1 75 . 3 1 1 A 13 13 ASN C C 13 174.743 176.725 -1.982 1
1 76 . 3 1 1 A 13 13 ASN CA C 13 52.456 52.479 -0.023 1
1 77 . 3 1 1 A 13 13 ASN CB C 13 39.513 39.907 -0.394 1
1 78 . 3 1 1 A 13 13 ASN N N 13 118.399 122.064 -3.665 1
1 80 . 3 1 1 A 14 14 ALA H H 14 8.681 8.821 -0.140 1
1 81 . 3 1 1 A 14 14 ALA HA H 14 3.964 4.179 -0.215 1
1 85 . 3 1 1 A 14 14 ALA C C 14 177.736 179.526 -1.790 1
1 86 . 3 1 1 A 14 14 ALA CA C 14 56.221 55.028 1.193 1
1 87 . 3 1 1 A 14 14 ALA CB C 14 19.568 18.269 1.299 1
1 88 . 3 1 1 A 14 14 ALA N N 14 122.169 122.867 -0.698 1
1 89 . 3 1 1 A 15 15 PHE H H 15 8.002 7.589 0.413 1
1 90 . 3 1 1 A 15 15 PHE HA H 15 2.866 2.351 0.515 1
1 98 . 3 1 1 A 15 15 PHE C C 15 177.821 176.360 1.461 1
1 99 . 3 1 1 A 15 15 PHE CA C 15 59.132 60.204 -1.072 1
1 100 . 3 1 1 A 15 15 PHE CB C 15 38.239 38.460 -0.221 1
1 106 . 3 1 1 A 15 15 PHE N N 15 116.867 118.999 -2.132 1
1 107 . 3 1 1 A 16 16 LEU H H 16 8.264 8.261 0.003 1
1 108 . 3 1 1 A 16 16 LEU HA H 16 3.642 3.978 -0.336 1
1 118 . 3 1 1 A 16 16 LEU C C 16 180.354 179.900 0.454 1
1 119 . 3 1 1 A 16 16 LEU CA C 16 58.236 57.534 0.702 1
1 120 . 3 1 1 A 16 16 LEU CB C 16 41.365 41.232 0.133 1
1 124 . 3 1 1 A 16 16 LEU N N 16 120.647 119.767 0.880 1
1 125 . 3 1 1 A 17 17 LEU H H 17 7.977 7.632 0.345 1
1 126 . 3 1 1 A 17 17 LEU HA H 17 4.065 3.965 0.100 1
1 136 . 3 1 1 A 17 17 LEU C C 17 178.984 179.045 -0.061 1
1 137 . 3 1 1 A 17 17 LEU CA C 17 58.165 58.078 0.087 1
1 138 . 3 1 1 A 17 17 LEU CB C 17 41.693 42.141 -0.448 1
1 142 . 3 1 1 A 17 17 LEU N N 17 121.855 120.109 1.746 1
1 143 . 3 1 1 A 18 18 PHE H H 18 8.136 7.969 0.167 1
1 144 . 3 1 1 A 18 18 PHE HA H 18 3.769 4.630 -0.861 1
1 150 . 3 1 1 A 18 18 PHE C C 18 179.020 177.496 1.524 1
1 151 . 3 1 1 A 18 18 PHE CA C 18 62.333 62.025 0.308 1
1 152 . 3 1 1 A 18 18 PHE CB C 18 39.122 39.107 0.015 1
1 156 . 3 1 1 A 18 18 PHE N N 18 122.907 118.583 4.324 1
1 157 . 3 1 1 A 19 19 CYS H H 19 8.520 8.093 0.427 1
1 158 . 3 1 1 A 19 19 CYS HA H 19 3.728 4.042 -0.314 1
1 161 . 3 1 1 A 19 19 CYS C C 19 176.136 177.338 -1.202 1
1 162 . 3 1 1 A 19 19 CYS CA C 19 64.313 63.517 0.796 1
1 163 . 3 1 1 A 19 19 CYS CB C 19 26.577 27.088 -0.511 1
1 164 . 3 1 1 A 19 19 CYS N N 19 119.069 116.619 2.450 1
1 165 . 3 1 1 A 20 20 LYS H H 20 7.969 7.812 0.157 1
1 166 . 3 1 1 A 20 20 LYS HA H 20 3.953 4.081 -0.128 1
1 175 . 3 1 1 A 20 20 LYS C C 20 179.133 178.840 0.293 1
1 176 . 3 1 1 A 20 20 LYS CA C 20 59.295 59.068 0.227 1
1 177 . 3 1 1 A 20 20 LYS CB C 20 32.111 32.310 -0.199 1
1 181 . 3 1 1 A 20 20 LYS N N 20 119.888 119.704 0.184 1
1 182 . 3 1 1 A 21 21 ARG H H 21 7.493 7.973 -0.480 1
1 183 . 3 1 1 A 21 21 ARG HA H 21 4.166 4.251 -0.085 1
1 190 . 3 1 1 A 21 21 ARG C C 21 177.239 178.193 -0.954 1
1 191 . 3 1 1 A 21 21 ARG CA C 21 57.575 58.389 -0.814 1
1 192 . 3 1 1 A 21 21 ARG CB C 21 30.137 31.061 -0.924 1
1 195 . 3 1 1 A 21 21 ARG N N 21 116.105 118.724 -2.619 1
1 196 . 3 1 1 A 22 22 HIS H H 22 7.354 9.270 -1.916 1
1 197 . 3 1 1 A 22 22 HIS HA H 22 4.706 4.438 0.268 1
1 201 . 3 1 1 A 22 22 HIS C C 22 175.627 177.117 -1.490 1
1 202 . 3 1 1 A 22 22 HIS CA C 22 58.593 59.881 -1.288 1
1 203 . 3 1 1 A 22 22 HIS CB C 22 30.754 28.666 2.088 1
1 205 . 3 1 1 A 22 22 HIS N N 22 113.808 118.259 -4.451 1
1 206 . 3 1 1 A 23 23 ARG H H 23 8.372 8.131 0.241 1
1 207 . 3 1 1 A 23 23 ARG HA H 23 3.793 3.857 -0.064 1
1 214 . 3 1 1 A 23 23 ARG C C 23 177.930 178.861 -0.931 1
1 215 . 3 1 1 A 23 23 ARG CA C 23 60.747 59.499 1.248 1
1 216 . 3 1 1 A 23 23 ARG CB C 23 29.251 30.322 -1.071 1
1 219 . 3 1 1 A 23 23 ARG N N 23 123.560 121.268 2.292 1
1 220 . 3 1 1 A 24 24 SER HA H 24 4.163 4.152 0.011 1
1 223 . 3 1 1 A 24 24 SER CA C 24 61.523 62.346 -0.823 1
1 224 . 3 1 1 A 24 24 SER CB C 24 62.116 63.019 -0.903 1
1 225 . 3 1 1 A 25 25 LEU H H 25 7.504 8.218 -0.714 1
1 226 . 3 1 1 A 25 25 LEU HA H 25 4.265 4.033 0.232 1
1 236 . 3 1 1 A 25 25 LEU C C 25 179.336 178.710 0.626 1
1 237 . 3 1 1 A 25 25 LEU CA C 25 57.837 58.382 -0.545 1
1 238 . 3 1 1 A 25 25 LEU CB C 25 41.470 42.110 -0.640 1
1 242 . 3 1 1 A 25 25 LEU N N 25 124.174 121.914 2.260 1
1 243 . 3 1 1 A 26 26 VAL H H 26 7.802 8.065 -0.263 1
1 244 . 3 1 1 A 26 26 VAL HA H 26 3.833 3.558 0.275 1
1 252 . 3 1 1 A 26 26 VAL C C 26 177.712 177.930 -0.218 1
1 253 . 3 1 1 A 26 26 VAL CA C 26 66.662 67.145 -0.483 1
1 254 . 3 1 1 A 26 26 VAL CB C 26 31.670 31.286 0.384 1
1 257 . 3 1 1 A 26 26 VAL N N 26 119.266 118.169 1.097 1
1 258 . 3 1 1 A 27 27 ARG H H 27 7.922 8.530 -0.608 1
1 259 . 3 1 1 A 27 27 ARG HA H 27 4.043 3.980 0.063 1
1 266 . 3 1 1 A 27 27 ARG C C 27 177.785 179.052 -1.267 1
1 267 . 3 1 1 A 27 27 ARG CA C 27 58.683 60.041 -1.358 1
1 268 . 3 1 1 A 27 27 ARG CB C 27 29.720 30.035 -0.315 1
1 271 . 3 1 1 A 27 27 ARG N N 27 118.035 119.305 -1.270 1
1 272 . 3 1 1 A 28 28 GLN H H 28 7.707 8.797 -1.090 1
1 273 . 3 1 1 A 28 28 GLN HA H 28 4.092 4.041 0.051 1
1 280 . 3 1 1 A 28 28 GLN C C 28 177.785 178.684 -0.899 1
1 281 . 3 1 1 A 28 28 GLN CA C 28 58.233 58.644 -0.411 1
1 282 . 3 1 1 A 28 28 GLN CB C 28 29.191 28.505 0.686 1
1 284 . 3 1 1 A 28 28 GLN N N 28 116.893 118.588 -1.695 1
1 286 . 3 1 1 A 29 29 GLU H H 29 7.864 8.579 -0.715 1
1 287 . 3 1 1 A 29 29 GLU HA H 29 4.131 3.974 0.157 1
1 292 . 3 1 1 A 29 29 GLU C C 29 176.246 176.203 0.043 1
1 293 . 3 1 1 A 29 29 GLU CA C 29 57.808 58.919 -1.111 1
1 294 . 3 1 1 A 29 29 GLU CB C 29 31.004 29.316 1.688 1
1 296 . 3 1 1 A 29 29 GLU N N 29 116.949 118.969 -2.020 1
1 297 . 3 1 1 A 30 30 HIS H H 30 8.058 8.684 -0.626 1
1 298 . 3 1 1 A 30 30 HIS HA H 30 5.071 5.120 -0.049 1
1 303 . 3 1 1 A 30 30 HIS C C 30 173.519 174.039 -0.520 1
1 304 . 3 1 1 A 30 30 HIS CA C 30 53.347 53.158 0.189 1
1 305 . 3 1 1 A 30 30 HIS CB C 30 30.649 29.829 0.820 1
1 308 . 3 1 1 A 30 30 HIS N N 30 116.711 117.188 -0.477 1
1 309 . 3 1 1 A 31 31 PRO HA H 31 4.648 4.338 0.310 1
1 316 . 3 1 1 A 31 31 PRO C C 31 178.197 178.295 -0.098 1
1 317 . 3 1 1 A 31 31 PRO CA C 31 64.911 65.599 -0.688 1
1 318 . 3 1 1 A 31 31 PRO CB C 31 32.458 31.762 0.696 1
1 321 . 3 1 1 A 32 32 ARG H H 32 8.617 8.190 0.427 1
1 322 . 3 1 1 A 32 32 ARG HA H 32 4.406 4.093 0.313 1
1 329 . 3 1 1 A 32 32 ARG C C 32 176.815 177.077 -0.262 1
1 330 . 3 1 1 A 32 32 ARG CA C 32 55.959 59.353 -3.394 1
1 331 . 3 1 1 A 32 32 ARG CB C 32 29.808 29.966 -0.158 1
1 334 . 3 1 1 A 32 32 ARG N N 32 116.125 118.474 -2.349 1
1 335 . 3 1 1 A 33 33 LEU H H 33 7.421 7.679 -0.258 1
1 336 . 3 1 1 A 33 33 LEU HA H 33 4.409 4.214 0.195 1
1 346 . 3 1 1 A 33 33 LEU C C 33 177.349 176.363 0.986 1
1 347 . 3 1 1 A 33 33 LEU CA C 33 55.140 55.369 -0.229 1
1 348 . 3 1 1 A 33 33 LEU CB C 33 43.420 42.672 0.748 1
1 352 . 3 1 1 A 33 33 LEU N N 33 120.576 120.903 -0.327 1
1 353 . 3 1 1 A 34 34 ASP H H 34 8.168 8.989 -0.821 1
1 354 . 3 1 1 A 34 34 ASP HA H 34 4.646 4.667 -0.021 1
1 357 . 3 1 1 A 34 34 ASP C C 34 175.821 177.595 -1.774 1
1 358 . 3 1 1 A 34 34 ASP CA C 34 52.415 56.101 -3.686 1
1 359 . 3 1 1 A 34 34 ASP CB C 34 41.177 40.513 0.664 1
1 360 . 3 1 1 A 34 34 ASP N N 34 122.502 122.650 -0.148 1
1 361 . 3 1 1 A 35 35 ASN HA H 35 4.395 4.909 -0.514 1
1 366 . 3 1 1 A 35 35 ASN CA C 35 57.033 54.124 2.909 1
1 367 . 3 1 1 A 35 35 ASN CB C 35 38.344 39.586 -1.242 1
1 369 . 3 1 1 A 36 36 ARG HA H 36 4.096 4.036 0.060 1
1 376 . 3 1 1 A 36 36 ARG C C 36 179.554 179.646 -0.092 1
1 377 . 3 1 1 A 36 36 ARG CA C 36 59.527 59.206 0.321 1
1 378 . 3 1 1 A 36 36 ARG CB C 36 29.626 29.969 -0.343 1
1 381 . 3 1 1 A 37 37 GLY H H 37 8.618 8.425 0.193 1
1 382 . 3 1 1 A 37 37 GLY HA2 H 37 3.888 3.787 0.101 1
1 383 . 3 1 1 A 37 37 GLY HA3 H 37 3.754 3.790 -0.036 1
1 384 . 3 1 1 A 37 37 GLY C C 37 176.597 175.827 0.770 1
1 385 . 3 1 1 A 37 37 GLY CA C 37 47.048 47.151 -0.103 1
1 386 . 3 1 1 A 37 37 GLY N N 37 110.017 108.371 1.646 1
1 387 . 3 1 1 A 38 38 ALA H H 38 8.619 7.982 0.637 1
1 388 . 3 1 1 A 38 38 ALA HA H 38 3.945 3.861 0.084 1
1 392 . 3 1 1 A 38 38 ALA C C 38 178.924 179.472 -0.548 1
1 393 . 3 1 1 A 38 38 ALA CA C 38 55.123 54.534 0.589 1
1 394 . 3 1 1 A 38 38 ALA CB C 38 18.046 18.306 -0.260 1
1 395 . 3 1 1 A 38 38 ALA N N 38 124.889 124.156 0.733 1
1 396 . 3 1 1 A 39 39 THR H H 39 8.239 8.337 -0.098 1
1 397 . 3 1 1 A 39 39 THR HA H 39 3.895 3.775 0.120 1
1 402 . 3 1 1 A 39 39 THR C C 39 175.252 176.536 -1.284 1
1 403 . 3 1 1 A 39 39 THR CA C 39 66.889 67.053 -0.164 1
1 404 . 3 1 1 A 39 39 THR CB C 39 68.607 68.900 -0.293 1
1 406 . 3 1 1 A 39 39 THR N N 39 114.810 114.968 -0.158 1
1 407 . 3 1 1 A 40 40 LYS H H 40 7.518 7.778 -0.260 1
1 408 . 3 1 1 A 40 40 LYS HA H 40 4.098 3.931 0.167 1
1 417 . 3 1 1 A 40 40 LYS C C 40 178.330 179.106 -0.776 1
1 418 . 3 1 1 A 40 40 LYS CA C 40 59.746 59.713 0.033 1
1 419 . 3 1 1 A 40 40 LYS CB C 40 32.106 32.383 -0.277 1
1 423 . 3 1 1 A 40 40 LYS N N 40 122.046 120.319 1.727 1
1 424 . 3 1 1 A 41 41 ILE H H 41 7.218 7.518 -0.300 1
1 425 . 3 1 1 A 41 41 ILE HA H 41 3.722 3.583 0.139 1
1 435 . 3 1 1 A 41 41 ILE C C 41 178.197 178.069 0.128 1
1 436 . 3 1 1 A 41 41 ILE CA C 41 64.055 65.559 -1.504 1
1 437 . 3 1 1 A 41 41 ILE CB C 41 36.482 37.625 -1.143 1
1 441 . 3 1 1 A 41 41 ILE N N 41 119.019 120.802 -1.783 1
1 442 . 3 1 1 A 42 42 LEU H H 42 7.940 8.451 -0.511 1
1 443 . 3 1 1 A 42 42 LEU HA H 42 3.988 3.667 0.321 1
1 453 . 3 1 1 A 42 42 LEU C C 42 179.251 179.206 0.045 1
1 454 . 3 1 1 A 42 42 LEU CA C 42 58.605 57.437 1.168 1
1 455 . 3 1 1 A 42 42 LEU CB C 42 41.694 40.711 0.983 1
1 459 . 3 1 1 A 42 42 LEU N N 42 119.163 118.422 0.741 1
1 460 . 3 1 1 A 43 43 ALA H H 43 8.732 8.117 0.615 1
1 461 . 3 1 1 A 43 43 ALA HA H 43 4.222 4.315 -0.093 1
1 465 . 3 1 1 A 43 43 ALA C C 43 180.899 179.156 1.743 1
1 466 . 3 1 1 A 43 43 ALA CA C 43 55.699 55.609 0.090 1
1 467 . 3 1 1 A 43 43 ALA CB C 43 17.859 18.673 -0.814 1
1 468 . 3 1 1 A 43 43 ALA N N 43 122.225 121.778 0.447 1
1 469 . 3 1 1 A 44 44 ASP H H 44 8.350 8.182 0.168 1
1 470 . 3 1 1 A 44 44 ASP HA H 44 4.545 4.373 0.172 1
1 473 . 3 1 1 A 44 44 ASP C C 44 179.227 178.706 0.521 1
1 474 . 3 1 1 A 44 44 ASP CA C 44 57.507 57.470 0.037 1
1 475 . 3 1 1 A 44 44 ASP CB C 44 39.719 41.254 -1.535 1
1 476 . 3 1 1 A 44 44 ASP N N 44 122.950 118.476 4.474 1
1 477 . 3 1 1 A 45 45 TRP H H 45 8.831 8.352 0.479 1
1 478 . 3 1 1 A 45 45 TRP HA H 45 4.692 4.329 0.363 1
1 487 . 3 1 1 A 45 45 TRP C C 45 179.057 178.689 0.368 1
1 488 . 3 1 1 A 45 45 TRP CA C 45 58.008 59.829 -1.821 1
1 489 . 3 1 1 A 45 45 TRP CB C 45 29.520 29.278 0.242 1
1 495 . 3 1 1 A 45 45 TRP N N 45 122.321 120.022 2.299 1
1 497 . 3 1 1 A 46 46 TRP H H 46 8.921 8.069 0.852 1
1 498 . 3 1 1 A 46 46 TRP HA H 46 3.733 3.535 0.198 1
1 507 . 3 1 1 A 46 46 TRP C C 46 177.664 178.021 -0.357 1
1 508 . 3 1 1 A 46 46 TRP CA C 46 59.279 60.645 -1.366 1
1 509 . 3 1 1 A 46 46 TRP CB C 46 30.508 29.124 1.384 1
1 515 . 3 1 1 A 46 46 TRP N N 46 120.243 121.163 -0.920 1
1 517 . 3 1 1 A 47 47 ALA H H 47 7.918 9.273 -1.355 1
1 518 . 3 1 1 A 47 47 ALA HA H 47 3.918 4.180 -0.262 1
1 522 . 3 1 1 A 47 47 ALA C C 47 179.978 178.002 1.976 1
1 523 . 3 1 1 A 47 47 ALA CA C 47 55.011 54.643 0.368 1
1 524 . 3 1 1 A 47 47 ALA CB C 47 18.581 18.576 0.005 1
1 525 . 3 1 1 A 47 47 ALA N N 47 117.935 121.350 -3.415 1
1 526 . 3 1 1 A 48 48 VAL H H 48 7.106 7.601 -0.495 1
1 527 . 3 1 1 A 48 48 VAL HA H 48 4.378 4.394 -0.016 1
1 535 . 3 1 1 A 48 48 VAL C C 48 175.627 174.505 1.122 1
1 536 . 3 1 1 A 48 48 VAL CA C 48 60.641 60.464 0.177 1
1 537 . 3 1 1 A 48 48 VAL CB C 48 31.865 31.582 0.283 1
1 540 . 3 1 1 A 48 48 VAL N N 48 107.757 107.627 0.130 1
1 541 . 3 1 1 A 49 49 LEU H H 49 7.008 7.462 -0.454 1
1 542 . 3 1 1 A 49 49 LEU HA H 49 3.948 5.066 -1.118 1
1 552 . 3 1 1 A 49 49 LEU C C 49 176.258 174.113 2.145 1
1 553 . 3 1 1 A 49 49 LEU CA C 49 55.032 53.372 1.660 1
1 554 . 3 1 1 A 49 49 LEU CB C 49 42.822 45.729 -2.907 1
1 558 . 3 1 1 A 49 49 LEU N N 49 125.594 124.732 0.862 1
1 559 . 3 1 1 A 50 50 ASP H H 50 8.485 8.695 -0.210 1
1 560 . 3 1 1 A 50 50 ASP HA H 50 4.643 4.734 -0.091 1
1 563 . 3 1 1 A 50 50 ASP CA C 50 52.855 52.789 0.066 1
1 564 . 3 1 1 A 50 50 ASP CB C 50 42.605 40.674 1.931 1
1 565 . 3 1 1 A 51 51 PRO HA H 51 4.025 4.246 -0.221 1
1 572 . 3 1 1 A 51 51 PRO C C 51 179.166 178.809 0.357 1
1 573 . 3 1 1 A 51 51 PRO CA C 51 65.861 65.110 0.751 1
1 574 . 3 1 1 A 51 51 PRO CB C 51 32.458 31.858 0.600 1
1 577 . 3 1 1 A 52 52 LYS H H 52 8.866 8.299 0.567 1
1 578 . 3 1 1 A 52 52 LYS HA H 52 4.165 3.987 0.178 1
1 585 . 3 1 1 A 52 52 LYS C C 52 179.542 179.198 0.344 1
1 586 . 3 1 1 A 52 52 LYS CA C 52 59.484 59.741 -0.257 1
1 587 . 3 1 1 A 52 52 LYS CB C 52 31.906 32.169 -0.263 1
1 591 . 3 1 1 A 52 52 LYS N N 52 118.625 118.716 -0.091 1
1 592 . 3 1 1 A 53 53 GLU H H 53 7.727 8.186 -0.459 1
1 593 . 3 1 1 A 53 53 GLU HA H 53 4.343 4.041 0.302 1
1 598 . 3 1 1 A 53 53 GLU C C 53 179.335 179.421 -0.086 1
1 599 . 3 1 1 A 53 53 GLU CA C 53 58.355 59.667 -1.312 1
1 600 . 3 1 1 A 53 53 GLU CB C 53 29.726 29.429 0.297 1
1 602 . 3 1 1 A 53 53 GLU N N 53 120.460 119.674 0.786 1
1 603 . 3 1 1 A 54 54 LYS H H 54 8.194 7.645 0.549 1
1 604 . 3 1 1 A 54 54 LYS HA H 54 3.949 4.326 -0.377 1
1 613 . 3 1 1 A 54 54 LYS C C 54 179.566 179.082 0.484 1
1 614 . 3 1 1 A 54 54 LYS CA C 54 60.920 59.983 0.937 1
1 615 . 3 1 1 A 54 54 LYS CB C 54 32.481 32.102 0.379 1
1 619 . 3 1 1 A 54 54 LYS N N 54 118.859 118.163 0.696 1
1 620 . 3 1 1 A 55 55 GLN H H 55 7.965 8.663 -0.698 1
1 621 . 3 1 1 A 55 55 GLN HA H 55 4.025 4.069 -0.044 1
1 628 . 3 1 1 A 55 55 GLN C C 55 177.154 178.181 -1.027 1
1 629 . 3 1 1 A 55 55 GLN CA C 55 58.064 58.933 -0.869 1
1 630 . 3 1 1 A 55 55 GLN CB C 55 28.163 28.770 -0.607 1
1 632 . 3 1 1 A 55 55 GLN N N 55 117.922 119.898 -1.976 1
1 634 . 3 1 1 A 56 56 LYS H H 56 7.483 7.896 -0.413 1
1 635 . 3 1 1 A 56 56 LYS HA H 56 4.205 4.110 0.095 1
1 644 . 3 1 1 A 56 56 LYS C C 56 179.772 178.219 1.553 1
1 645 . 3 1 1 A 56 56 LYS CA C 56 59.671 59.051 0.620 1
1 646 . 3 1 1 A 56 56 LYS CB C 56 31.700 32.085 -0.385 1
1 650 . 3 1 1 A 56 56 LYS N N 56 118.491 118.917 -0.426 1
1 651 . 3 1 1 A 57 57 TYR H H 57 7.707 8.184 -0.477 1
1 652 . 3 1 1 A 57 57 TYR HA H 57 4.344 4.528 -0.184 1
1 659 . 3 1 1 A 57 57 TYR C C 57 177.966 178.623 -0.657 1
1 660 . 3 1 1 A 57 57 TYR CA C 57 62.784 60.407 2.377 1
1 661 . 3 1 1 A 57 57 TYR CB C 57 38.973 38.670 0.303 1
1 666 . 3 1 1 A 57 57 TYR N N 57 117.968 119.528 -1.560 1
1 667 . 3 1 1 A 58 58 THR H H 58 8.458 9.693 -1.235 1
1 668 . 3 1 1 A 58 58 THR HA H 58 4.074 4.092 -0.018 1
1 673 . 3 1 1 A 58 58 THR C C 58 177.203 175.927 1.276 1
1 674 . 3 1 1 A 58 58 THR CA C 58 67.168 67.352 -0.184 1
1 675 . 3 1 1 A 58 58 THR CB C 58 68.401 68.685 -0.284 1
1 677 . 3 1 1 A 58 58 THR N N 58 118.700 115.578 3.122 1
1 678 . 3 1 1 A 59 59 ASP H H 59 8.807 8.632 0.175 1
1 679 . 3 1 1 A 59 59 ASP HA H 59 4.514 4.353 0.161 1
1 682 . 3 1 1 A 59 59 ASP C C 59 179.154 178.372 0.782 1
1 683 . 3 1 1 A 59 59 ASP CA C 59 57.754 57.739 0.015 1
1 684 . 3 1 1 A 59 59 ASP CB C 59 39.801 41.204 -1.403 1
1 685 . 3 1 1 A 59 59 ASP N N 59 123.812 121.640 2.172 1
1 686 . 3 1 1 A 60 60 MET H H 60 8.085 8.319 -0.234 1
1 687 . 3 1 1 A 60 60 MET HA H 60 4.161 4.123 0.038 1
1 695 . 3 1 1 A 60 60 MET C C 60 178.378 178.561 -0.183 1
1 696 . 3 1 1 A 60 60 MET CA C 60 58.980 59.208 -0.228 1
1 697 . 3 1 1 A 60 60 MET CB C 60 34.227 32.513 1.714 1
1 700 . 3 1 1 A 60 60 MET N N 60 120.481 118.020 2.461 1
1 701 . 3 1 1 A 61 61 ALA H H 61 8.296 8.014 0.282 1
1 702 . 3 1 1 A 61 61 ALA HA H 61 4.114 4.246 -0.132 1
1 706 . 3 1 1 A 61 61 ALA C C 61 179.408 179.578 -0.170 1
1 707 . 3 1 1 A 61 61 ALA CA C 61 54.935 55.358 -0.423 1
1 708 . 3 1 1 A 61 61 ALA CB C 61 17.759 18.394 -0.635 1
1 709 . 3 1 1 A 61 61 ALA N N 61 121.147 121.323 -0.176 1
1 710 . 3 1 1 A 62 62 LYS H H 62 7.812 8.931 -1.119 1
1 711 . 3 1 1 A 62 62 LYS HA H 62 4.177 4.079 0.098 1
1 720 . 3 1 1 A 62 62 LYS C C 62 177.979 178.726 -0.747 1
1 721 . 3 1 1 A 62 62 LYS CA C 62 59.289 59.579 -0.290 1
1 722 . 3 1 1 A 62 62 LYS CB C 62 32.539 32.148 0.391 1
1 726 . 3 1 1 A 62 62 LYS N N 62 119.686 118.170 1.516 1
1 727 . 3 1 1 A 63 63 GLU H H 63 7.810 8.351 -0.541 1
1 728 . 3 1 1 A 63 63 GLU HA H 63 4.216 4.075 0.141 1
1 733 . 3 1 1 A 63 63 GLU C C 63 178.597 178.779 -0.182 1
1 734 . 3 1 1 A 63 63 GLU CA C 63 58.386 58.831 -0.445 1
1 735 . 3 1 1 A 63 63 GLU CB C 63 29.644 29.888 -0.244 1
1 737 . 3 1 1 A 63 63 GLU N N 63 118.765 119.010 -0.245 1
1 738 . 3 1 1 A 64 64 TYR H H 64 8.098 8.622 -0.524 1
1 739 . 3 1 1 A 64 64 TYR HA H 64 4.395 4.243 0.152 1
1 746 . 3 1 1 A 64 64 TYR C C 64 177.639 178.144 -0.505 1
1 747 . 3 1 1 A 64 64 TYR CA C 64 60.006 61.799 -1.793 1
1 748 . 3 1 1 A 64 64 TYR CB C 64 38.198 38.133 0.065 1
1 753 . 3 1 1 A 64 64 TYR N N 64 119.914 119.784 0.130 1
1 754 . 3 1 1 A 65 65 LYS H H 65 8.225 9.324 -1.099 1
1 755 . 3 1 1 A 65 65 LYS HA H 65 4.146 4.090 0.056 1
1 764 . 3 1 1 A 65 65 LYS C C 65 177.481 178.223 -0.742 1
1 765 . 3 1 1 A 65 65 LYS CA C 65 58.793 59.967 -1.174 1
1 766 . 3 1 1 A 65 65 LYS CB C 65 32.523 32.674 -0.151 1
1 770 . 3 1 1 A 65 65 LYS N N 65 122.842 120.747 2.095 1
1 771 . 3 1 1 A 66 66 ASP H H 66 8.402 8.309 0.093 1
1 772 . 3 1 1 A 66 66 ASP HA H 66 4.485 4.373 0.112 1
1 775 . 3 1 1 A 66 66 ASP C C 66 177.930 178.451 -0.521 1
1 776 . 3 1 1 A 66 66 ASP CA C 66 56.423 58.010 -1.587 1
1 777 . 3 1 1 A 66 66 ASP CB C 66 40.829 41.529 -0.700 1
1 778 . 3 1 1 A 66 66 ASP N N 66 120.424 119.595 0.829 1
1 779 . 3 1 1 A 67 67 ALA H H 67 7.989 7.763 0.226 1
1 780 . 3 1 1 A 67 67 ALA HA H 67 4.151 4.129 0.022 1
1 784 . 3 1 1 A 67 67 ALA C C 67 179.457 179.362 0.095 1
1 785 . 3 1 1 A 67 67 ALA CA C 67 54.274 55.078 -0.804 1
1 786 . 3 1 1 A 67 67 ALA CB C 67 18.499 18.623 -0.124 1
1 787 . 3 1 1 A 67 67 ALA N N 67 122.273 121.739 0.534 1
1 788 . 3 1 1 A 68 68 PHE H H 68 8.235 9.207 -0.972 1
1 789 . 3 1 1 A 68 68 PHE HA H 68 4.314 4.016 0.298 1
1 796 . 3 1 1 A 68 68 PHE C C 68 177.421 177.172 0.249 1
1 797 . 3 1 1 A 68 68 PHE CA C 68 60.193 62.115 -1.922 1
1 798 . 3 1 1 A 68 68 PHE CB C 68 39.390 39.267 0.123 1
1 803 . 3 1 1 A 68 68 PHE N N 68 119.632 119.230 0.402 1
1 804 . 3 1 1 A 69 69 MET H H 69 8.325 8.486 -0.161 1
1 805 . 3 1 1 A 69 69 MET HA H 69 4.296 4.480 -0.184 1
1 813 . 3 1 1 A 69 69 MET C C 69 177.651 175.526 2.125 1
1 814 . 3 1 1 A 69 69 MET CA C 69 56.645 54.081 2.564 1
1 815 . 3 1 1 A 69 69 MET CB C 69 32.108 30.763 1.345 1
1 818 . 3 1 1 A 69 69 MET N N 69 119.223 115.541 3.682 1
1 819 . 3 1 1 A 70 70 LYS H H 70 7.864 8.525 -0.661 1
1 820 . 3 1 1 A 70 70 LYS HA H 70 4.092 4.438 -0.346 1
1 829 . 3 1 1 A 70 70 LYS C C 70 177.009 178.520 -1.511 1
1 830 . 3 1 1 A 70 70 LYS CA C 70 57.769 57.818 -0.049 1
1 831 . 3 1 1 A 70 70 LYS CB C 70 32.687 34.102 -1.415 1
1 835 . 3 1 1 A 70 70 LYS N N 70 120.004 125.641 -5.637 1
1 836 . 3 1 1 A 71 71 ALA H H 71 7.670 8.172 -0.502 1
1 837 . 3 1 1 A 71 71 ALA HA H 71 4.264 4.088 0.176 1
1 841 . 3 1 1 A 71 71 ALA C C 71 177.009 177.993 -0.984 1
1 842 . 3 1 1 A 71 71 ALA CA C 71 52.603 55.029 -2.426 1
1 843 . 3 1 1 A 71 71 ALA CB C 71 19.321 18.416 0.905 1
1 844 . 3 1 1 A 71 71 ALA N N 71 121.270 121.238 0.032 1
1 845 . 3 1 1 A 72 72 ASN H H 72 7.846 8.006 -0.160 1
1 846 . 3 1 1 A 72 72 ASN HA H 72 4.972 4.714 0.258 1
1 851 . 3 1 1 A 72 72 ASN C C 72 172.453 175.225 -2.772 1
1 852 . 3 1 1 A 72 72 ASN CA C 72 51.185 51.842 -0.657 1
1 853 . 3 1 1 A 72 72 ASN CB C 72 39.350 38.617 0.733 1
1 854 . 3 1 1 A 72 72 ASN N N 72 117.432 114.146 3.286 1
1 856 . 3 1 1 A 73 73 PRO HA H 73 4.465 4.473 -0.008 1
1 863 . 3 1 1 A 73 73 PRO C C 73 177.857 177.886 -0.029 1
1 864 . 3 1 1 A 73 73 PRO CA C 73 63.972 62.963 1.009 1
1 865 . 3 1 1 A 73 73 PRO CB C 73 31.884 29.719 2.165 1
1 868 . 3 1 1 A 74 74 GLY H H 74 8.538 8.691 -0.153 1
1 869 . 3 1 1 A 74 74 GLY HA2 H 74 3.881 3.962 -0.081 1
1 870 . 3 1 1 A 74 74 GLY HA3 H 74 3.957 3.983 -0.026 1
1 871 . 3 1 1 A 74 74 GLY C C 74 174.210 174.379 -0.169 1
1 872 . 3 1 1 A 74 74 GLY CA C 74 45.216 46.960 -1.744 1
1 873 . 3 1 1 A 74 74 GLY N N 74 108.444 113.029 -4.585 1
1 874 . 3 1 1 A 75 75 TYR H H 75 7.878 8.262 -0.384 1
1 875 . 3 1 1 A 75 75 TYR HA H 75 4.449 4.390 0.059 1
1 882 . 3 1 1 A 75 75 TYR C C 75 175.640 175.357 0.283 1
1 883 . 3 1 1 A 75 75 TYR CA C 75 58.778 60.704 -1.926 1
1 884 . 3 1 1 A 75 75 TYR CB C 75 38.856 39.413 -0.557 1
1 889 . 3 1 1 A 75 75 TYR N N 75 120.970 120.415 0.555 1
1 890 . 3 1 1 A 76 76 ARG H H 76 8.039 8.176 -0.137 1
1 891 . 3 1 1 A 76 76 ARG HA H 76 4.346 4.301 0.045 1
1 898 . 3 1 1 A 76 76 ARG C C 76 175.482 175.304 0.178 1
1 899 . 3 1 1 A 76 76 ARG CA C 76 55.510 57.751 -2.241 1
1 900 . 3 1 1 A 76 76 ARG CB C 76 31.307 29.210 2.097 1
1 903 . 3 1 1 A 76 76 ARG N N 76 124.540 118.354 6.186 1
1 904 . 3 1 1 A 77 77 SER HA H 77 4.430 4.435 -0.005 1
1 907 . 3 1 1 A 77 77 SER CA C 77 58.319 60.138 -1.819 1
1 908 . 3 1 1 A 77 77 SER CB C 77 63.982 64.701 -0.719 1
1 909 . 3 1 1 A 78 78 GLY HA2 H 78 4.154 4.086 0.068 1
1 910 . 3 1 1 A 78 78 GLY HA3 H 78 4.154 4.097 0.057 1
1 911 . 3 1 1 A 78 78 GLY CA C 78 44.731 45.328 -0.597 1
1 912 . 3 1 1 A 79 79 PRO HA H 79 4.495 4.535 -0.040 1
1 917 . 3 1 1 A 79 79 PRO CA C 79 63.366 64.502 -1.136 1
1 918 . 3 1 1 A 79 79 PRO CB C 79 32.289 32.259 0.030 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.967 4.076 -0.109 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.967 4.077 -0.110 1
1 3 . 4 1 1 A 7 7 GLY C C 7 173.907 173.097 0.810 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.273 44.361 0.912 1
1 5 . 4 1 1 A 8 8 ALA H H 8 8.092 8.249 -0.157 1
1 6 . 4 1 1 A 8 8 ALA HA H 8 4.335 4.953 -0.618 1
1 10 . 4 1 1 A 8 8 ALA C C 8 177.772 176.444 1.328 1
1 11 . 4 1 1 A 8 8 ALA CA C 8 52.468 50.303 2.165 1
1 12 . 4 1 1 A 8 8 ALA CB C 8 19.404 22.795 -3.391 1
1 13 . 4 1 1 A 8 8 ALA N N 8 123.589 124.427 -0.838 1
1 14 . 4 1 1 A 9 9 ARG H H 9 8.298 8.841 -0.543 1
1 15 . 4 1 1 A 9 9 ARG HA H 9 4.348 3.898 0.450 1
1 22 . 4 1 1 A 9 9 ARG C C 9 175.894 174.611 1.283 1
1 23 . 4 1 1 A 9 9 ARG CA C 9 55.999 56.859 -0.860 1
1 24 . 4 1 1 A 9 9 ARG CB C 9 30.813 28.840 1.973 1
1 27 . 4 1 1 A 9 9 ARG N N 9 120.366 116.577 3.789 1
1 28 . 4 1 1 A 10 10 ARG H H 10 8.212 7.803 0.409 1
1 29 . 4 1 1 A 10 10 ARG HA H 10 4.468 4.220 0.248 1
1 36 . 4 1 1 A 10 10 ARG C C 10 173.810 174.005 -0.195 1
1 37 . 4 1 1 A 10 10 ARG CA C 10 53.783 53.556 0.227 1
1 38 . 4 1 1 A 10 10 ARG CB C 10 30.384 34.131 -3.747 1
1 41 . 4 1 1 A 10 10 ARG N N 10 122.690 118.840 3.850 1
1 42 . 4 1 1 A 11 11 PRO HA H 11 4.322 4.465 -0.143 1
1 49 . 4 1 1 A 11 11 PRO C C 11 176.427 175.698 0.729 1
1 50 . 4 1 1 A 11 11 PRO CA C 11 62.905 62.182 0.723 1
1 51 . 4 1 1 A 11 11 PRO CB C 11 31.929 33.190 -1.261 1
1 54 . 4 1 1 A 12 12 MET H H 12 8.237 8.299 -0.062 1
1 55 . 4 1 1 A 12 12 MET HA H 12 4.441 5.266 -0.825 1
1 63 . 4 1 1 A 12 12 MET C C 12 175.094 175.098 -0.004 1
1 64 . 4 1 1 A 12 12 MET CA C 12 55.400 53.420 1.980 1
1 65 . 4 1 1 A 12 12 MET CB C 12 33.327 34.703 -1.376 1
1 68 . 4 1 1 A 12 12 MET N N 12 120.543 116.300 4.243 1
1 69 . 4 1 1 A 13 13 ASN H H 13 7.399 8.881 -1.482 1
1 70 . 4 1 1 A 13 13 ASN HA H 13 4.650 4.955 -0.305 1
1 75 . 4 1 1 A 13 13 ASN C C 13 174.743 176.894 -2.151 1
1 76 . 4 1 1 A 13 13 ASN CA C 13 52.456 52.848 -0.392 1
1 77 . 4 1 1 A 13 13 ASN CB C 13 39.513 39.412 0.101 1
1 78 . 4 1 1 A 13 13 ASN N N 13 118.399 121.927 -3.528 1
1 80 . 4 1 1 A 14 14 ALA H H 14 8.681 8.844 -0.163 1
1 81 . 4 1 1 A 14 14 ALA HA H 14 3.964 4.130 -0.166 1
1 85 . 4 1 1 A 14 14 ALA C C 14 177.736 179.558 -1.822 1
1 86 . 4 1 1 A 14 14 ALA CA C 14 56.221 55.269 0.952 1
1 87 . 4 1 1 A 14 14 ALA CB C 14 19.568 18.289 1.279 1
1 88 . 4 1 1 A 14 14 ALA N N 14 122.169 122.970 -0.801 1
1 89 . 4 1 1 A 15 15 PHE H H 15 8.002 7.535 0.467 1
1 90 . 4 1 1 A 15 15 PHE HA H 15 2.866 2.596 0.270 1
1 98 . 4 1 1 A 15 15 PHE C C 15 177.821 176.638 1.183 1
1 99 . 4 1 1 A 15 15 PHE CA C 15 59.132 60.555 -1.423 1
1 100 . 4 1 1 A 15 15 PHE CB C 15 38.239 38.431 -0.192 1
1 106 . 4 1 1 A 15 15 PHE N N 15 116.867 119.152 -2.285 1
1 107 . 4 1 1 A 16 16 LEU H H 16 8.264 8.439 -0.175 1
1 108 . 4 1 1 A 16 16 LEU HA H 16 3.642 3.902 -0.260 1
1 118 . 4 1 1 A 16 16 LEU C C 16 180.354 179.749 0.605 1
1 119 . 4 1 1 A 16 16 LEU CA C 16 58.236 57.854 0.382 1
1 120 . 4 1 1 A 16 16 LEU CB C 16 41.365 41.195 0.170 1
1 124 . 4 1 1 A 16 16 LEU N N 16 120.647 119.145 1.502 1
1 125 . 4 1 1 A 17 17 LEU H H 17 7.977 7.792 0.185 1
1 126 . 4 1 1 A 17 17 LEU HA H 17 4.065 3.954 0.111 1
1 136 . 4 1 1 A 17 17 LEU C C 17 178.984 179.144 -0.160 1
1 137 . 4 1 1 A 17 17 LEU CA C 17 58.165 58.172 -0.007 1
1 138 . 4 1 1 A 17 17 LEU CB C 17 41.693 42.190 -0.497 1
1 142 . 4 1 1 A 17 17 LEU N N 17 121.855 120.092 1.763 1
1 143 . 4 1 1 A 18 18 PHE H H 18 8.136 7.803 0.333 1
1 144 . 4 1 1 A 18 18 PHE HA H 18 3.769 4.576 -0.807 1
1 150 . 4 1 1 A 18 18 PHE C C 18 179.020 177.712 1.308 1
1 151 . 4 1 1 A 18 18 PHE CA C 18 62.333 61.949 0.384 1
1 152 . 4 1 1 A 18 18 PHE CB C 18 39.122 38.952 0.170 1
1 156 . 4 1 1 A 18 18 PHE N N 18 122.907 118.269 4.638 1
1 157 . 4 1 1 A 19 19 CYS H H 19 8.520 8.103 0.417 1
1 158 . 4 1 1 A 19 19 CYS HA H 19 3.728 4.165 -0.437 1
1 161 . 4 1 1 A 19 19 CYS C C 19 176.136 177.398 -1.262 1
1 162 . 4 1 1 A 19 19 CYS CA C 19 64.313 62.523 1.790 1
1 163 . 4 1 1 A 19 19 CYS CB C 19 26.577 26.928 -0.351 1
1 164 . 4 1 1 A 19 19 CYS N N 19 119.069 118.175 0.894 1
1 165 . 4 1 1 A 20 20 LYS H H 20 7.969 7.788 0.181 1
1 166 . 4 1 1 A 20 20 LYS HA H 20 3.953 4.024 -0.071 1
1 175 . 4 1 1 A 20 20 LYS C C 20 179.133 179.254 -0.121 1
1 176 . 4 1 1 A 20 20 LYS CA C 20 59.295 59.534 -0.239 1
1 177 . 4 1 1 A 20 20 LYS CB C 20 32.111 32.089 0.022 1
1 181 . 4 1 1 A 20 20 LYS N N 20 119.888 119.800 0.088 1
1 182 . 4 1 1 A 21 21 ARG H H 21 7.493 8.177 -0.684 1
1 183 . 4 1 1 A 21 21 ARG HA H 21 4.166 4.114 0.052 1
1 190 . 4 1 1 A 21 21 ARG C C 21 177.239 178.606 -1.367 1
1 191 . 4 1 1 A 21 21 ARG CA C 21 57.575 59.147 -1.572 1
1 192 . 4 1 1 A 21 21 ARG CB C 21 30.137 30.766 -0.629 1
1 195 . 4 1 1 A 21 21 ARG N N 21 116.105 118.825 -2.720 1
1 196 . 4 1 1 A 22 22 HIS H H 22 7.354 9.121 -1.767 1
1 197 . 4 1 1 A 22 22 HIS HA H 22 4.706 4.465 0.241 1
1 201 . 4 1 1 A 22 22 HIS C C 22 175.627 177.179 -1.552 1
1 202 . 4 1 1 A 22 22 HIS CA C 22 58.593 59.778 -1.185 1
1 203 . 4 1 1 A 22 22 HIS CB C 22 30.754 28.643 2.111 1
1 205 . 4 1 1 A 22 22 HIS N N 22 113.808 118.299 -4.491 1
1 206 . 4 1 1 A 23 23 ARG H H 23 8.372 8.044 0.328 1
1 207 . 4 1 1 A 23 23 ARG HA H 23 3.793 3.883 -0.090 1
1 214 . 4 1 1 A 23 23 ARG C C 23 177.930 178.818 -0.888 1
1 215 . 4 1 1 A 23 23 ARG CA C 23 60.747 59.553 1.194 1
1 216 . 4 1 1 A 23 23 ARG CB C 23 29.251 30.296 -1.045 1
1 219 . 4 1 1 A 23 23 ARG N N 23 123.560 121.257 2.303 1
1 220 . 4 1 1 A 24 24 SER HA H 24 4.163 4.169 -0.006 1
1 223 . 4 1 1 A 24 24 SER CA C 24 61.523 62.003 -0.480 1
1 224 . 4 1 1 A 24 24 SER CB C 24 62.116 62.986 -0.870 1
1 225 . 4 1 1 A 25 25 LEU H H 25 7.504 8.151 -0.647 1
1 226 . 4 1 1 A 25 25 LEU HA H 25 4.265 4.033 0.232 1
1 236 . 4 1 1 A 25 25 LEU C C 25 179.336 178.783 0.553 1
1 237 . 4 1 1 A 25 25 LEU CA C 25 57.837 58.254 -0.417 1
1 238 . 4 1 1 A 25 25 LEU CB C 25 41.470 42.171 -0.701 1
1 242 . 4 1 1 A 25 25 LEU N N 25 124.174 121.571 2.603 1
1 243 . 4 1 1 A 26 26 VAL H H 26 7.802 8.066 -0.264 1
1 244 . 4 1 1 A 26 26 VAL HA H 26 3.833 3.482 0.351 1
1 252 . 4 1 1 A 26 26 VAL C C 26 177.712 177.921 -0.209 1
1 253 . 4 1 1 A 26 26 VAL CA C 26 66.662 67.075 -0.413 1
1 254 . 4 1 1 A 26 26 VAL CB C 26 31.670 31.252 0.418 1
1 257 . 4 1 1 A 26 26 VAL N N 26 119.266 118.034 1.232 1
1 258 . 4 1 1 A 27 27 ARG H H 27 7.922 8.481 -0.559 1
1 259 . 4 1 1 A 27 27 ARG HA H 27 4.043 4.000 0.043 1
1 266 . 4 1 1 A 27 27 ARG C C 27 177.785 178.796 -1.011 1
1 267 . 4 1 1 A 27 27 ARG CA C 27 58.683 59.906 -1.223 1
1 268 . 4 1 1 A 27 27 ARG CB C 27 29.720 29.929 -0.209 1
1 271 . 4 1 1 A 27 27 ARG N N 27 118.035 119.142 -1.107 1
1 272 . 4 1 1 A 28 28 GLN H H 28 7.707 8.764 -1.057 1
1 273 . 4 1 1 A 28 28 GLN HA H 28 4.092 4.161 -0.069 1
1 280 . 4 1 1 A 28 28 GLN C C 28 177.785 178.715 -0.930 1
1 281 . 4 1 1 A 28 28 GLN CA C 28 58.233 58.644 -0.411 1
1 282 . 4 1 1 A 28 28 GLN CB C 28 29.191 28.607 0.584 1
1 284 . 4 1 1 A 28 28 GLN N N 28 116.893 118.654 -1.761 1
1 286 . 4 1 1 A 29 29 GLU H H 29 7.864 8.654 -0.790 1
1 287 . 4 1 1 A 29 29 GLU HA H 29 4.131 4.012 0.119 1
1 292 . 4 1 1 A 29 29 GLU C C 29 176.246 176.193 0.053 1
1 293 . 4 1 1 A 29 29 GLU CA C 29 57.808 58.893 -1.085 1
1 294 . 4 1 1 A 29 29 GLU CB C 29 31.004 29.267 1.737 1
1 296 . 4 1 1 A 29 29 GLU N N 29 116.949 118.965 -2.016 1
1 297 . 4 1 1 A 30 30 HIS H H 30 8.058 8.772 -0.714 1
1 298 . 4 1 1 A 30 30 HIS HA H 30 5.071 5.109 -0.038 1
1 303 . 4 1 1 A 30 30 HIS C C 30 173.519 174.042 -0.523 1
1 304 . 4 1 1 A 30 30 HIS CA C 30 53.347 53.155 0.192 1
1 305 . 4 1 1 A 30 30 HIS CB C 30 30.649 29.780 0.869 1
1 308 . 4 1 1 A 30 30 HIS N N 30 116.711 117.004 -0.293 1
1 309 . 4 1 1 A 31 31 PRO HA H 31 4.648 4.394 0.254 1
1 316 . 4 1 1 A 31 31 PRO C C 31 178.197 179.129 -0.932 1
1 317 . 4 1 1 A 31 31 PRO CA C 31 64.911 65.610 -0.699 1
1 318 . 4 1 1 A 31 31 PRO CB C 31 32.458 31.703 0.755 1
1 321 . 4 1 1 A 32 32 ARG H H 32 8.617 8.648 -0.031 1
1 322 . 4 1 1 A 32 32 ARG HA H 32 4.406 4.108 0.298 1
1 329 . 4 1 1 A 32 32 ARG C C 32 176.815 177.327 -0.512 1
1 330 . 4 1 1 A 32 32 ARG CA C 32 55.959 58.813 -2.854 1
1 331 . 4 1 1 A 32 32 ARG CB C 32 29.808 29.791 0.017 1
1 334 . 4 1 1 A 32 32 ARG N N 32 116.125 118.480 -2.355 1
1 335 . 4 1 1 A 33 33 LEU H H 33 7.421 7.643 -0.222 1
1 336 . 4 1 1 A 33 33 LEU HA H 33 4.409 4.181 0.228 1
1 346 . 4 1 1 A 33 33 LEU C C 33 177.349 176.648 0.701 1
1 347 . 4 1 1 A 33 33 LEU CA C 33 55.140 55.440 -0.300 1
1 348 . 4 1 1 A 33 33 LEU CB C 33 43.420 42.648 0.772 1
1 352 . 4 1 1 A 33 33 LEU N N 33 120.576 121.311 -0.735 1
1 353 . 4 1 1 A 34 34 ASP H H 34 8.168 8.746 -0.578 1
1 354 . 4 1 1 A 34 34 ASP HA H 34 4.646 4.931 -0.285 1
1 357 . 4 1 1 A 34 34 ASP C C 34 175.821 175.784 0.037 1
1 358 . 4 1 1 A 34 34 ASP CA C 34 52.415 53.552 -1.137 1
1 359 . 4 1 1 A 34 34 ASP CB C 34 41.177 40.777 0.400 1
1 360 . 4 1 1 A 34 34 ASP N N 34 122.502 122.872 -0.370 1
1 361 . 4 1 1 A 35 35 ASN HA H 35 4.395 4.594 -0.199 1
1 366 . 4 1 1 A 35 35 ASN CA C 35 57.033 55.328 1.705 1
1 367 . 4 1 1 A 35 35 ASN CB C 35 38.344 38.139 0.205 1
1 369 . 4 1 1 A 36 36 ARG HA H 36 4.096 4.034 0.062 1
1 376 . 4 1 1 A 36 36 ARG C C 36 179.554 178.596 0.958 1
1 377 . 4 1 1 A 36 36 ARG CA C 36 59.527 59.537 -0.010 1
1 378 . 4 1 1 A 36 36 ARG CB C 36 29.626 29.913 -0.287 1
1 381 . 4 1 1 A 37 37 GLY H H 37 8.618 8.224 0.394 1
1 382 . 4 1 1 A 37 37 GLY HA2 H 37 3.888 3.780 0.108 1
1 383 . 4 1 1 A 37 37 GLY HA3 H 37 3.754 3.783 -0.029 1
1 384 . 4 1 1 A 37 37 GLY C C 37 176.597 176.085 0.512 1
1 385 . 4 1 1 A 37 37 GLY CA C 37 47.048 47.257 -0.209 1
1 386 . 4 1 1 A 37 37 GLY N N 37 110.017 106.899 3.118 1
1 387 . 4 1 1 A 38 38 ALA H H 38 8.619 7.969 0.650 1
1 388 . 4 1 1 A 38 38 ALA HA H 38 3.945 3.858 0.087 1
1 392 . 4 1 1 A 38 38 ALA C C 38 178.924 179.551 -0.627 1
1 393 . 4 1 1 A 38 38 ALA CA C 38 55.123 54.489 0.634 1
1 394 . 4 1 1 A 38 38 ALA CB C 38 18.046 18.577 -0.531 1
1 395 . 4 1 1 A 38 38 ALA N N 38 124.889 124.411 0.478 1
1 396 . 4 1 1 A 39 39 THR H H 39 8.239 9.205 -0.966 1
1 397 . 4 1 1 A 39 39 THR HA H 39 3.895 3.734 0.161 1
1 402 . 4 1 1 A 39 39 THR C C 39 175.252 176.427 -1.175 1
1 403 . 4 1 1 A 39 39 THR CA C 39 66.889 67.318 -0.429 1
1 404 . 4 1 1 A 39 39 THR CB C 39 68.607 68.841 -0.234 1
1 406 . 4 1 1 A 39 39 THR N N 39 114.810 114.853 -0.043 1
1 407 . 4 1 1 A 40 40 LYS H H 40 7.518 7.557 -0.039 1
1 408 . 4 1 1 A 40 40 LYS HA H 40 4.098 3.921 0.177 1
1 417 . 4 1 1 A 40 40 LYS C C 40 178.330 179.094 -0.764 1
1 418 . 4 1 1 A 40 40 LYS CA C 40 59.746 59.716 0.030 1
1 419 . 4 1 1 A 40 40 LYS CB C 40 32.106 32.436 -0.330 1
1 423 . 4 1 1 A 40 40 LYS N N 40 122.046 119.850 2.196 1
1 424 . 4 1 1 A 41 41 ILE H H 41 7.218 7.715 -0.497 1
1 425 . 4 1 1 A 41 41 ILE HA H 41 3.722 3.548 0.174 1
1 435 . 4 1 1 A 41 41 ILE C C 41 178.197 177.789 0.408 1
1 436 . 4 1 1 A 41 41 ILE CA C 41 64.055 65.452 -1.397 1
1 437 . 4 1 1 A 41 41 ILE CB C 41 36.482 37.624 -1.142 1
1 441 . 4 1 1 A 41 41 ILE N N 41 119.019 120.471 -1.452 1
1 442 . 4 1 1 A 42 42 LEU H H 42 7.940 8.203 -0.263 1
1 443 . 4 1 1 A 42 42 LEU HA H 42 3.988 3.827 0.161 1
1 453 . 4 1 1 A 42 42 LEU C C 42 179.251 179.384 -0.133 1
1 454 . 4 1 1 A 42 42 LEU CA C 42 58.605 57.602 1.003 1
1 455 . 4 1 1 A 42 42 LEU CB C 42 41.694 41.190 0.504 1
1 459 . 4 1 1 A 42 42 LEU N N 42 119.163 118.274 0.889 1
1 460 . 4 1 1 A 43 43 ALA H H 43 8.732 8.141 0.591 1
1 461 . 4 1 1 A 43 43 ALA HA H 43 4.222 4.378 -0.156 1
1 465 . 4 1 1 A 43 43 ALA C C 43 180.899 179.087 1.812 1
1 466 . 4 1 1 A 43 43 ALA CA C 43 55.699 55.676 0.023 1
1 467 . 4 1 1 A 43 43 ALA CB C 43 17.859 18.775 -0.916 1
1 468 . 4 1 1 A 43 43 ALA N N 43 122.225 121.888 0.337 1
1 469 . 4 1 1 A 44 44 ASP H H 44 8.350 8.228 0.122 1
1 470 . 4 1 1 A 44 44 ASP HA H 44 4.545 4.332 0.213 1
1 473 . 4 1 1 A 44 44 ASP C C 44 179.227 178.638 0.589 1
1 474 . 4 1 1 A 44 44 ASP CA C 44 57.507 57.312 0.195 1
1 475 . 4 1 1 A 44 44 ASP CB C 44 39.719 41.199 -1.480 1
1 476 . 4 1 1 A 44 44 ASP N N 44 122.950 118.434 4.516 1
1 477 . 4 1 1 A 45 45 TRP H H 45 8.831 8.465 0.366 1
1 478 . 4 1 1 A 45 45 TRP HA H 45 4.692 4.325 0.367 1
1 487 . 4 1 1 A 45 45 TRP C C 45 179.057 178.857 0.200 1
1 488 . 4 1 1 A 45 45 TRP CA C 45 58.008 59.817 -1.809 1
1 489 . 4 1 1 A 45 45 TRP CB C 45 29.520 29.544 -0.024 1
1 495 . 4 1 1 A 45 45 TRP N N 45 122.321 120.170 2.151 1
1 497 . 4 1 1 A 46 46 TRP H H 46 8.921 8.007 0.914 1
1 498 . 4 1 1 A 46 46 TRP HA H 46 3.733 3.443 0.290 1
1 507 . 4 1 1 A 46 46 TRP C C 46 177.664 178.012 -0.348 1
1 508 . 4 1 1 A 46 46 TRP CA C 46 59.279 60.634 -1.355 1
1 509 . 4 1 1 A 46 46 TRP CB C 46 30.508 29.224 1.284 1
1 515 . 4 1 1 A 46 46 TRP N N 46 120.243 121.146 -0.903 1
1 517 . 4 1 1 A 47 47 ALA H H 47 7.918 9.358 -1.440 1
1 518 . 4 1 1 A 47 47 ALA HA H 47 3.918 4.127 -0.209 1
1 522 . 4 1 1 A 47 47 ALA C C 47 179.978 178.021 1.957 1
1 523 . 4 1 1 A 47 47 ALA CA C 47 55.011 54.760 0.251 1
1 524 . 4 1 1 A 47 47 ALA CB C 47 18.581 18.588 -0.007 1
1 525 . 4 1 1 A 47 47 ALA N N 47 117.935 121.334 -3.399 1
1 526 . 4 1 1 A 48 48 VAL H H 48 7.106 7.205 -0.099 1
1 527 . 4 1 1 A 48 48 VAL HA H 48 4.378 4.389 -0.011 1
1 535 . 4 1 1 A 48 48 VAL C C 48 175.627 174.525 1.102 1
1 536 . 4 1 1 A 48 48 VAL CA C 48 60.641 60.362 0.279 1
1 537 . 4 1 1 A 48 48 VAL CB C 48 31.865 31.669 0.196 1
1 540 . 4 1 1 A 48 48 VAL N N 48 107.757 107.856 -0.099 1
1 541 . 4 1 1 A 49 49 LEU H H 49 7.008 7.772 -0.764 1
1 542 . 4 1 1 A 49 49 LEU HA H 49 3.948 5.111 -1.163 1
1 552 . 4 1 1 A 49 49 LEU C C 49 176.258 174.049 2.209 1
1 553 . 4 1 1 A 49 49 LEU CA C 49 55.032 53.401 1.631 1
1 554 . 4 1 1 A 49 49 LEU CB C 49 42.822 46.259 -3.437 1
1 558 . 4 1 1 A 49 49 LEU N N 49 125.594 125.373 0.221 1
1 559 . 4 1 1 A 50 50 ASP H H 50 8.485 8.770 -0.285 1
1 560 . 4 1 1 A 50 50 ASP HA H 50 4.643 4.801 -0.158 1
1 563 . 4 1 1 A 50 50 ASP CA C 50 52.855 52.448 0.407 1
1 564 . 4 1 1 A 50 50 ASP CB C 50 42.605 40.683 1.922 1
1 565 . 4 1 1 A 51 51 PRO HA H 51 4.025 4.314 -0.289 1
1 572 . 4 1 1 A 51 51 PRO C C 51 179.166 178.908 0.258 1
1 573 . 4 1 1 A 51 51 PRO CA C 51 65.861 64.980 0.881 1
1 574 . 4 1 1 A 51 51 PRO CB C 51 32.458 31.996 0.462 1
1 577 . 4 1 1 A 52 52 LYS H H 52 8.866 8.373 0.493 1
1 578 . 4 1 1 A 52 52 LYS HA H 52 4.165 4.043 0.122 1
1 585 . 4 1 1 A 52 52 LYS C C 52 179.542 179.308 0.234 1
1 586 . 4 1 1 A 52 52 LYS CA C 52 59.484 59.755 -0.271 1
1 587 . 4 1 1 A 52 52 LYS CB C 52 31.906 32.188 -0.282 1
1 591 . 4 1 1 A 52 52 LYS N N 52 118.625 118.014 0.611 1
1 592 . 4 1 1 A 53 53 GLU H H 53 7.727 8.061 -0.334 1
1 593 . 4 1 1 A 53 53 GLU HA H 53 4.343 4.118 0.225 1
1 598 . 4 1 1 A 53 53 GLU C C 53 179.335 180.200 -0.865 1
1 599 . 4 1 1 A 53 53 GLU CA C 53 58.355 59.389 -1.034 1
1 600 . 4 1 1 A 53 53 GLU CB C 53 29.726 29.370 0.356 1
1 602 . 4 1 1 A 53 53 GLU N N 53 120.460 119.605 0.855 1
1 603 . 4 1 1 A 54 54 LYS H H 54 8.194 7.480 0.714 1
1 604 . 4 1 1 A 54 54 LYS HA H 54 3.949 4.522 -0.573 1
1 613 . 4 1 1 A 54 54 LYS C C 54 179.566 178.929 0.637 1
1 614 . 4 1 1 A 54 54 LYS CA C 54 60.920 59.301 1.619 1
1 615 . 4 1 1 A 54 54 LYS CB C 54 32.481 32.126 0.355 1
1 619 . 4 1 1 A 54 54 LYS N N 54 118.859 119.166 -0.307 1
1 620 . 4 1 1 A 55 55 GLN H H 55 7.965 8.248 -0.283 1
1 621 . 4 1 1 A 55 55 GLN HA H 55 4.025 4.089 -0.064 1
1 628 . 4 1 1 A 55 55 GLN C C 55 177.154 178.477 -1.323 1
1 629 . 4 1 1 A 55 55 GLN CA C 55 58.064 58.726 -0.662 1
1 630 . 4 1 1 A 55 55 GLN CB C 55 28.163 28.898 -0.735 1
1 632 . 4 1 1 A 55 55 GLN N N 55 117.922 119.764 -1.842 1
1 634 . 4 1 1 A 56 56 LYS H H 56 7.483 7.645 -0.162 1
1 635 . 4 1 1 A 56 56 LYS HA H 56 4.205 4.115 0.090 1
1 644 . 4 1 1 A 56 56 LYS C C 56 179.772 178.517 1.255 1
1 645 . 4 1 1 A 56 56 LYS CA C 56 59.671 58.983 0.688 1
1 646 . 4 1 1 A 56 56 LYS CB C 56 31.700 31.871 -0.171 1
1 650 . 4 1 1 A 56 56 LYS N N 56 118.491 119.027 -0.536 1
1 651 . 4 1 1 A 57 57 TYR H H 57 7.707 8.026 -0.319 1
1 652 . 4 1 1 A 57 57 TYR HA H 57 4.344 4.510 -0.166 1
1 659 . 4 1 1 A 57 57 TYR C C 57 177.966 178.494 -0.528 1
1 660 . 4 1 1 A 57 57 TYR CA C 57 62.784 60.595 2.189 1
1 661 . 4 1 1 A 57 57 TYR CB C 57 38.973 37.882 1.091 1
1 666 . 4 1 1 A 57 57 TYR N N 57 117.968 119.682 -1.714 1
1 667 . 4 1 1 A 58 58 THR H H 58 8.458 9.616 -1.158 1
1 668 . 4 1 1 A 58 58 THR HA H 58 4.074 4.031 0.043 1
1 673 . 4 1 1 A 58 58 THR C C 58 177.203 176.191 1.012 1
1 674 . 4 1 1 A 58 58 THR CA C 58 67.168 67.431 -0.263 1
1 675 . 4 1 1 A 58 58 THR CB C 58 68.401 68.677 -0.276 1
1 677 . 4 1 1 A 58 58 THR N N 58 118.700 115.459 3.241 1
1 678 . 4 1 1 A 59 59 ASP H H 59 8.807 8.625 0.182 1
1 679 . 4 1 1 A 59 59 ASP HA H 59 4.514 4.438 0.076 1
1 682 . 4 1 1 A 59 59 ASP C C 59 179.154 178.229 0.925 1
1 683 . 4 1 1 A 59 59 ASP CA C 59 57.754 57.179 0.575 1
1 684 . 4 1 1 A 59 59 ASP CB C 59 39.801 41.201 -1.400 1
1 685 . 4 1 1 A 59 59 ASP N N 59 123.812 121.601 2.211 1
1 686 . 4 1 1 A 60 60 MET H H 60 8.085 8.643 -0.558 1
1 687 . 4 1 1 A 60 60 MET HA H 60 4.161 4.186 -0.025 1
1 695 . 4 1 1 A 60 60 MET C C 60 178.378 178.864 -0.486 1
1 696 . 4 1 1 A 60 60 MET CA C 60 58.980 58.750 0.230 1
1 697 . 4 1 1 A 60 60 MET CB C 60 34.227 32.489 1.738 1
1 700 . 4 1 1 A 60 60 MET N N 60 120.481 118.128 2.353 1
1 701 . 4 1 1 A 61 61 ALA H H 61 8.296 8.112 0.184 1
1 702 . 4 1 1 A 61 61 ALA HA H 61 4.114 4.257 -0.143 1
1 706 . 4 1 1 A 61 61 ALA C C 61 179.408 179.574 -0.166 1
1 707 . 4 1 1 A 61 61 ALA CA C 61 54.935 55.568 -0.633 1
1 708 . 4 1 1 A 61 61 ALA CB C 61 17.759 18.633 -0.874 1
1 709 . 4 1 1 A 61 61 ALA N N 61 121.147 121.450 -0.303 1
1 710 . 4 1 1 A 62 62 LYS H H 62 7.812 8.348 -0.536 1
1 711 . 4 1 1 A 62 62 LYS HA H 62 4.177 3.986 0.191 1
1 720 . 4 1 1 A 62 62 LYS C C 62 177.979 179.390 -1.411 1
1 721 . 4 1 1 A 62 62 LYS CA C 62 59.289 59.701 -0.412 1
1 722 . 4 1 1 A 62 62 LYS CB C 62 32.539 32.337 0.202 1
1 726 . 4 1 1 A 62 62 LYS N N 62 119.686 118.203 1.483 1
1 727 . 4 1 1 A 63 63 GLU H H 63 7.810 8.233 -0.423 1
1 728 . 4 1 1 A 63 63 GLU HA H 63 4.216 4.054 0.162 1
1 733 . 4 1 1 A 63 63 GLU C C 63 178.597 178.880 -0.283 1
1 734 . 4 1 1 A 63 63 GLU CA C 63 58.386 59.460 -1.074 1
1 735 . 4 1 1 A 63 63 GLU CB C 63 29.644 29.331 0.313 1
1 737 . 4 1 1 A 63 63 GLU N N 63 118.765 119.481 -0.716 1
1 738 . 4 1 1 A 64 64 TYR H H 64 8.098 8.319 -0.221 1
1 739 . 4 1 1 A 64 64 TYR HA H 64 4.395 4.330 0.065 1
1 746 . 4 1 1 A 64 64 TYR C C 64 177.639 178.267 -0.628 1
1 747 . 4 1 1 A 64 64 TYR CA C 64 60.006 61.676 -1.670 1
1 748 . 4 1 1 A 64 64 TYR CB C 64 38.198 38.001 0.197 1
1 753 . 4 1 1 A 64 64 TYR N N 64 119.914 119.594 0.320 1
1 754 . 4 1 1 A 65 65 LYS H H 65 8.225 9.741 -1.516 1
1 755 . 4 1 1 A 65 65 LYS HA H 65 4.146 3.962 0.184 1
1 764 . 4 1 1 A 65 65 LYS C C 65 177.481 178.125 -0.644 1
1 765 . 4 1 1 A 65 65 LYS CA C 65 58.793 59.880 -1.087 1
1 766 . 4 1 1 A 65 65 LYS CB C 65 32.523 32.233 0.290 1
1 770 . 4 1 1 A 65 65 LYS N N 65 122.842 121.008 1.834 1
1 771 . 4 1 1 A 66 66 ASP H H 66 8.402 8.598 -0.196 1
1 772 . 4 1 1 A 66 66 ASP HA H 66 4.485 4.447 0.038 1
1 775 . 4 1 1 A 66 66 ASP C C 66 177.930 178.763 -0.833 1
1 776 . 4 1 1 A 66 66 ASP CA C 66 56.423 57.539 -1.116 1
1 777 . 4 1 1 A 66 66 ASP CB C 66 40.829 40.368 0.461 1
1 778 . 4 1 1 A 66 66 ASP N N 66 120.424 119.338 1.086 1
1 779 . 4 1 1 A 67 67 ALA H H 67 7.989 8.591 -0.602 1
1 780 . 4 1 1 A 67 67 ALA HA H 67 4.151 4.088 0.063 1
1 784 . 4 1 1 A 67 67 ALA C C 67 179.457 179.724 -0.267 1
1 785 . 4 1 1 A 67 67 ALA CA C 67 54.274 55.224 -0.950 1
1 786 . 4 1 1 A 67 67 ALA CB C 67 18.499 18.777 -0.278 1
1 787 . 4 1 1 A 67 67 ALA N N 67 122.273 121.986 0.287 1
1 788 . 4 1 1 A 68 68 PHE H H 68 8.235 8.642 -0.407 1
1 789 . 4 1 1 A 68 68 PHE HA H 68 4.314 4.050 0.264 1
1 796 . 4 1 1 A 68 68 PHE C C 68 177.421 176.467 0.954 1
1 797 . 4 1 1 A 68 68 PHE CA C 68 60.193 61.970 -1.777 1
1 798 . 4 1 1 A 68 68 PHE CB C 68 39.390 39.332 0.058 1
1 803 . 4 1 1 A 68 68 PHE N N 68 119.632 119.439 0.193 1
1 804 . 4 1 1 A 69 69 MET H H 69 8.325 8.674 -0.349 1
1 805 . 4 1 1 A 69 69 MET HA H 69 4.296 4.472 -0.176 1
1 813 . 4 1 1 A 69 69 MET C C 69 177.651 175.838 1.813 1
1 814 . 4 1 1 A 69 69 MET CA C 69 56.645 54.640 2.005 1
1 815 . 4 1 1 A 69 69 MET CB C 69 32.108 31.617 0.491 1
1 818 . 4 1 1 A 69 69 MET N N 69 119.223 116.332 2.891 1
1 819 . 4 1 1 A 70 70 LYS H H 70 7.864 8.450 -0.586 1
1 820 . 4 1 1 A 70 70 LYS HA H 70 4.092 4.492 -0.400 1
1 829 . 4 1 1 A 70 70 LYS C C 70 177.009 176.244 0.765 1
1 830 . 4 1 1 A 70 70 LYS CA C 70 57.769 57.808 -0.039 1
1 831 . 4 1 1 A 70 70 LYS CB C 70 32.687 35.273 -2.586 1
1 835 . 4 1 1 A 70 70 LYS N N 70 120.004 126.821 -6.817 1
1 836 . 4 1 1 A 71 71 ALA H H 71 7.670 7.753 -0.083 1
1 837 . 4 1 1 A 71 71 ALA HA H 71 4.264 4.331 -0.067 1
1 841 . 4 1 1 A 71 71 ALA C C 71 177.009 176.026 0.983 1
1 842 . 4 1 1 A 71 71 ALA CA C 71 52.603 51.614 0.989 1
1 843 . 4 1 1 A 71 71 ALA CB C 71 19.321 17.439 1.882 1
1 844 . 4 1 1 A 71 71 ALA N N 71 121.270 120.426 0.844 1
1 845 . 4 1 1 A 72 72 ASN H H 72 7.846 7.773 0.073 1
1 846 . 4 1 1 A 72 72 ASN HA H 72 4.972 5.299 -0.327 1
1 851 . 4 1 1 A 72 72 ASN C C 72 172.453 173.000 -0.547 1
1 852 . 4 1 1 A 72 72 ASN CA C 72 51.185 50.399 0.786 1
1 853 . 4 1 1 A 72 72 ASN CB C 72 39.350 39.400 -0.050 1
1 854 . 4 1 1 A 72 72 ASN N N 72 117.432 118.601 -1.169 1
1 856 . 4 1 1 A 73 73 PRO HA H 73 4.465 4.546 -0.081 1
1 863 . 4 1 1 A 73 73 PRO C C 73 177.857 177.457 0.400 1
1 864 . 4 1 1 A 73 73 PRO CA C 73 63.972 62.762 1.210 1
1 865 . 4 1 1 A 73 73 PRO CB C 73 31.884 29.625 2.259 1
1 868 . 4 1 1 A 74 74 GLY H H 74 8.538 8.730 -0.192 1
1 869 . 4 1 1 A 74 74 GLY HA2 H 74 3.881 3.935 -0.054 1
1 870 . 4 1 1 A 74 74 GLY HA3 H 74 3.957 3.936 0.021 1
1 871 . 4 1 1 A 74 74 GLY C C 74 174.210 173.919 0.291 1
1 872 . 4 1 1 A 74 74 GLY CA C 74 45.216 46.121 -0.905 1
1 873 . 4 1 1 A 74 74 GLY N N 74 108.444 113.331 -4.887 1
1 874 . 4 1 1 A 75 75 TYR H H 75 7.878 8.690 -0.812 1
1 875 . 4 1 1 A 75 75 TYR HA H 75 4.449 4.429 0.020 1
1 882 . 4 1 1 A 75 75 TYR C C 75 175.640 175.143 0.497 1
1 883 . 4 1 1 A 75 75 TYR CA C 75 58.778 60.346 -1.568 1
1 884 . 4 1 1 A 75 75 TYR CB C 75 38.856 38.183 0.673 1
1 889 . 4 1 1 A 75 75 TYR N N 75 120.970 123.229 -2.259 1
1 890 . 4 1 1 A 76 76 ARG H H 76 8.039 8.357 -0.318 1
1 891 . 4 1 1 A 76 76 ARG HA H 76 4.346 3.761 0.585 1
1 898 . 4 1 1 A 76 76 ARG C C 76 175.482 175.173 0.309 1
1 899 . 4 1 1 A 76 76 ARG CA C 76 55.510 58.321 -2.811 1
1 900 . 4 1 1 A 76 76 ARG CB C 76 31.307 29.121 2.186 1
1 903 . 4 1 1 A 76 76 ARG N N 76 124.540 119.601 4.939 1
1 904 . 4 1 1 A 77 77 SER HA H 77 4.430 4.211 0.219 1
1 907 . 4 1 1 A 77 77 SER CA C 77 58.319 59.604 -1.285 1
1 908 . 4 1 1 A 77 77 SER CB C 77 63.982 62.396 1.586 1
1 909 . 4 1 1 A 78 78 GLY HA2 H 78 4.154 4.034 0.120 1
1 910 . 4 1 1 A 78 78 GLY HA3 H 78 4.154 4.035 0.119 1
1 911 . 4 1 1 A 78 78 GLY CA C 78 44.731 44.614 0.117 1
1 912 . 4 1 1 A 79 79 PRO HA H 79 4.495 4.308 0.187 1
1 917 . 4 1 1 A 79 79 PRO CA C 79 63.366 65.085 -1.719 1
1 918 . 4 1 1 A 79 79 PRO CB C 79 32.289 31.467 0.822 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.967 4.076 -0.109 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.967 4.087 -0.120 1
1 3 . 5 1 1 A 7 7 GLY C C 7 173.907 172.855 1.052 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.273 44.173 1.100 1
1 5 . 5 1 1 A 8 8 ALA H H 8 8.092 8.234 -0.142 1
1 6 . 5 1 1 A 8 8 ALA HA H 8 4.335 4.136 0.199 1
1 10 . 5 1 1 A 8 8 ALA C C 8 177.772 177.357 0.415 1
1 11 . 5 1 1 A 8 8 ALA CA C 8 52.468 52.100 0.368 1
1 12 . 5 1 1 A 8 8 ALA CB C 8 19.404 20.010 -0.606 1
1 13 . 5 1 1 A 8 8 ALA N N 8 123.589 123.050 0.539 1
1 14 . 5 1 1 A 9 9 ARG H H 9 8.298 8.943 -0.645 1
1 15 . 5 1 1 A 9 9 ARG HA H 9 4.348 4.225 0.123 1
1 22 . 5 1 1 A 9 9 ARG C C 9 175.894 175.566 0.328 1
1 23 . 5 1 1 A 9 9 ARG CA C 9 55.999 58.059 -2.060 1
1 24 . 5 1 1 A 9 9 ARG CB C 9 30.813 29.408 1.405 1
1 27 . 5 1 1 A 9 9 ARG N N 9 120.366 116.144 4.222 1
1 28 . 5 1 1 A 10 10 ARG H H 10 8.212 8.593 -0.381 1
1 29 . 5 1 1 A 10 10 ARG HA H 10 4.468 3.919 0.549 1
1 36 . 5 1 1 A 10 10 ARG C C 10 173.810 175.083 -1.273 1
1 37 . 5 1 1 A 10 10 ARG CA C 10 53.783 57.792 -4.009 1
1 38 . 5 1 1 A 10 10 ARG CB C 10 30.384 29.131 1.253 1
1 41 . 5 1 1 A 10 10 ARG N N 10 122.690 118.246 4.444 1
1 42 . 5 1 1 A 11 11 PRO HA H 11 4.322 4.193 0.129 1
1 49 . 5 1 1 A 11 11 PRO C C 11 176.427 175.725 0.702 1
1 50 . 5 1 1 A 11 11 PRO CA C 11 62.905 62.069 0.836 1
1 51 . 5 1 1 A 11 11 PRO CB C 11 31.929 32.993 -1.064 1
1 54 . 5 1 1 A 12 12 MET H H 12 8.237 8.345 -0.108 1
1 55 . 5 1 1 A 12 12 MET HA H 12 4.441 5.175 -0.734 1
1 63 . 5 1 1 A 12 12 MET C C 12 175.094 175.639 -0.545 1
1 64 . 5 1 1 A 12 12 MET CA C 12 55.400 53.225 2.175 1
1 65 . 5 1 1 A 12 12 MET CB C 12 33.327 35.095 -1.768 1
1 68 . 5 1 1 A 12 12 MET N N 12 120.543 116.750 3.793 1
1 69 . 5 1 1 A 13 13 ASN H H 13 7.399 8.398 -0.999 1
1 70 . 5 1 1 A 13 13 ASN HA H 13 4.650 5.060 -0.410 1
1 75 . 5 1 1 A 13 13 ASN C C 13 174.743 175.594 -0.851 1
1 76 . 5 1 1 A 13 13 ASN CA C 13 52.456 51.070 1.386 1
1 77 . 5 1 1 A 13 13 ASN CB C 13 39.513 39.500 0.013 1
1 78 . 5 1 1 A 13 13 ASN N N 13 118.399 119.135 -0.736 1
1 80 . 5 1 1 A 14 14 ALA H H 14 8.681 8.812 -0.131 1
1 81 . 5 1 1 A 14 14 ALA HA H 14 3.964 4.199 -0.235 1
1 85 . 5 1 1 A 14 14 ALA C C 14 177.736 179.415 -1.679 1
1 86 . 5 1 1 A 14 14 ALA CA C 14 56.221 55.117 1.104 1
1 87 . 5 1 1 A 14 14 ALA CB C 14 19.568 18.812 0.756 1
1 88 . 5 1 1 A 14 14 ALA N N 14 122.169 121.508 0.661 1
1 89 . 5 1 1 A 15 15 PHE H H 15 8.002 7.924 0.078 1
1 90 . 5 1 1 A 15 15 PHE HA H 15 2.866 2.346 0.520 1
1 98 . 5 1 1 A 15 15 PHE C C 15 177.821 176.522 1.299 1
1 99 . 5 1 1 A 15 15 PHE CA C 15 59.132 60.560 -1.428 1
1 100 . 5 1 1 A 15 15 PHE CB C 15 38.239 38.648 -0.409 1
1 106 . 5 1 1 A 15 15 PHE N N 15 116.867 118.680 -1.813 1
1 107 . 5 1 1 A 16 16 LEU H H 16 8.264 8.064 0.200 1
1 108 . 5 1 1 A 16 16 LEU HA H 16 3.642 3.487 0.155 1
1 118 . 5 1 1 A 16 16 LEU C C 16 180.354 179.413 0.941 1
1 119 . 5 1 1 A 16 16 LEU CA C 16 58.236 57.391 0.845 1
1 120 . 5 1 1 A 16 16 LEU CB C 16 41.365 41.023 0.342 1
1 124 . 5 1 1 A 16 16 LEU N N 16 120.647 119.261 1.386 1
1 125 . 5 1 1 A 17 17 LEU H H 17 7.977 8.476 -0.499 1
1 126 . 5 1 1 A 17 17 LEU HA H 17 4.065 3.882 0.183 1
1 136 . 5 1 1 A 17 17 LEU C C 17 178.984 179.143 -0.159 1
1 137 . 5 1 1 A 17 17 LEU CA C 17 58.165 58.259 -0.094 1
1 138 . 5 1 1 A 17 17 LEU CB C 17 41.693 42.413 -0.720 1
1 142 . 5 1 1 A 17 17 LEU N N 17 121.855 119.420 2.435 1
1 143 . 5 1 1 A 18 18 PHE H H 18 8.136 7.958 0.178 1
1 144 . 5 1 1 A 18 18 PHE HA H 18 3.769 4.063 -0.294 1
1 150 . 5 1 1 A 18 18 PHE C C 18 179.020 178.050 0.970 1
1 151 . 5 1 1 A 18 18 PHE CA C 18 62.333 61.948 0.385 1
1 152 . 5 1 1 A 18 18 PHE CB C 18 39.122 39.133 -0.011 1
1 156 . 5 1 1 A 18 18 PHE N N 18 122.907 118.306 4.601 1
1 157 . 5 1 1 A 19 19 CYS H H 19 8.520 7.805 0.715 1
1 158 . 5 1 1 A 19 19 CYS HA H 19 3.728 4.188 -0.460 1
1 161 . 5 1 1 A 19 19 CYS C C 19 176.136 176.670 -0.534 1
1 162 . 5 1 1 A 19 19 CYS CA C 19 64.313 63.650 0.663 1
1 163 . 5 1 1 A 19 19 CYS CB C 19 26.577 27.167 -0.590 1
1 164 . 5 1 1 A 19 19 CYS N N 19 119.069 116.654 2.415 1
1 165 . 5 1 1 A 20 20 LYS H H 20 7.969 7.707 0.262 1
1 166 . 5 1 1 A 20 20 LYS HA H 20 3.953 4.136 -0.183 1
1 175 . 5 1 1 A 20 20 LYS C C 20 179.133 177.300 1.833 1
1 176 . 5 1 1 A 20 20 LYS CA C 20 59.295 58.288 1.007 1
1 177 . 5 1 1 A 20 20 LYS CB C 20 32.111 32.067 0.044 1
1 181 . 5 1 1 A 20 20 LYS N N 20 119.888 119.485 0.403 1
1 182 . 5 1 1 A 21 21 ARG H H 21 7.493 7.707 -0.214 1
1 183 . 5 1 1 A 21 21 ARG HA H 21 4.166 4.374 -0.208 1
1 190 . 5 1 1 A 21 21 ARG C C 21 177.239 177.756 -0.517 1
1 191 . 5 1 1 A 21 21 ARG CA C 21 57.575 57.574 0.001 1
1 192 . 5 1 1 A 21 21 ARG CB C 21 30.137 31.209 -1.072 1
1 195 . 5 1 1 A 21 21 ARG N N 21 116.105 118.481 -2.376 1
1 196 . 5 1 1 A 22 22 HIS H H 22 7.354 8.391 -1.037 1
1 197 . 5 1 1 A 22 22 HIS HA H 22 4.706 4.449 0.257 1
1 201 . 5 1 1 A 22 22 HIS C C 22 175.627 176.212 -0.585 1
1 202 . 5 1 1 A 22 22 HIS CA C 22 58.593 58.426 0.167 1
1 203 . 5 1 1 A 22 22 HIS CB C 22 30.754 30.146 0.608 1
1 205 . 5 1 1 A 22 22 HIS N N 22 113.808 117.142 -3.334 1
1 206 . 5 1 1 A 23 23 ARG H H 23 8.372 8.305 0.067 1
1 207 . 5 1 1 A 23 23 ARG HA H 23 3.793 3.841 -0.048 1
1 214 . 5 1 1 A 23 23 ARG C C 23 177.930 178.234 -0.304 1
1 215 . 5 1 1 A 23 23 ARG CA C 23 60.747 59.619 1.128 1
1 216 . 5 1 1 A 23 23 ARG CB C 23 29.251 30.388 -1.137 1
1 219 . 5 1 1 A 23 23 ARG N N 23 123.560 120.520 3.040 1
1 220 . 5 1 1 A 24 24 SER HA H 24 4.163 4.129 0.034 1
1 223 . 5 1 1 A 24 24 SER CA C 24 61.523 61.725 -0.202 1
1 224 . 5 1 1 A 24 24 SER CB C 24 62.116 63.108 -0.992 1
1 225 . 5 1 1 A 25 25 LEU H H 25 7.504 8.311 -0.807 1
1 226 . 5 1 1 A 25 25 LEU HA H 25 4.265 3.998 0.267 1
1 236 . 5 1 1 A 25 25 LEU C C 25 179.336 178.971 0.365 1
1 237 . 5 1 1 A 25 25 LEU CA C 25 57.837 58.397 -0.560 1
1 238 . 5 1 1 A 25 25 LEU CB C 25 41.470 42.060 -0.590 1
1 242 . 5 1 1 A 25 25 LEU N N 25 124.174 122.505 1.669 1
1 243 . 5 1 1 A 26 26 VAL H H 26 7.802 8.275 -0.473 1
1 244 . 5 1 1 A 26 26 VAL HA H 26 3.833 3.474 0.359 1
1 252 . 5 1 1 A 26 26 VAL C C 26 177.712 177.894 -0.182 1
1 253 . 5 1 1 A 26 26 VAL CA C 26 66.662 67.070 -0.408 1
1 254 . 5 1 1 A 26 26 VAL CB C 26 31.670 31.301 0.369 1
1 257 . 5 1 1 A 26 26 VAL N N 26 119.266 118.258 1.008 1
1 258 . 5 1 1 A 27 27 ARG H H 27 7.922 8.866 -0.944 1
1 259 . 5 1 1 A 27 27 ARG HA H 27 4.043 4.002 0.041 1
1 266 . 5 1 1 A 27 27 ARG C C 27 177.785 178.684 -0.899 1
1 267 . 5 1 1 A 27 27 ARG CA C 27 58.683 59.328 -0.645 1
1 268 . 5 1 1 A 27 27 ARG CB C 27 29.720 29.942 -0.222 1
1 271 . 5 1 1 A 27 27 ARG N N 27 118.035 118.753 -0.718 1
1 272 . 5 1 1 A 28 28 GLN H H 28 7.707 8.170 -0.463 1
1 273 . 5 1 1 A 28 28 GLN HA H 28 4.092 4.189 -0.097 1
1 280 . 5 1 1 A 28 28 GLN C C 28 177.785 178.177 -0.392 1
1 281 . 5 1 1 A 28 28 GLN CA C 28 58.233 58.527 -0.294 1
1 282 . 5 1 1 A 28 28 GLN CB C 28 29.191 29.048 0.143 1
1 284 . 5 1 1 A 28 28 GLN N N 28 116.893 117.271 -0.378 1
1 286 . 5 1 1 A 29 29 GLU H H 29 7.864 8.832 -0.968 1
1 287 . 5 1 1 A 29 29 GLU HA H 29 4.131 4.009 0.122 1
1 292 . 5 1 1 A 29 29 GLU C C 29 176.246 176.029 0.217 1
1 293 . 5 1 1 A 29 29 GLU CA C 29 57.808 58.771 -0.963 1
1 294 . 5 1 1 A 29 29 GLU CB C 29 31.004 29.512 1.492 1
1 296 . 5 1 1 A 29 29 GLU N N 29 116.949 118.840 -1.891 1
1 297 . 5 1 1 A 30 30 HIS H H 30 8.058 8.606 -0.548 1
1 298 . 5 1 1 A 30 30 HIS HA H 30 5.071 5.108 -0.037 1
1 303 . 5 1 1 A 30 30 HIS C C 30 173.519 174.001 -0.482 1
1 304 . 5 1 1 A 30 30 HIS CA C 30 53.347 53.261 0.086 1
1 305 . 5 1 1 A 30 30 HIS CB C 30 30.649 29.714 0.935 1
1 308 . 5 1 1 A 30 30 HIS N N 30 116.711 117.011 -0.300 1
1 309 . 5 1 1 A 31 31 PRO HA H 31 4.648 4.399 0.249 1
1 316 . 5 1 1 A 31 31 PRO C C 31 178.197 178.401 -0.204 1
1 317 . 5 1 1 A 31 31 PRO CA C 31 64.911 65.262 -0.351 1
1 318 . 5 1 1 A 31 31 PRO CB C 31 32.458 32.055 0.403 1
1 321 . 5 1 1 A 32 32 ARG H H 32 8.617 8.128 0.489 1
1 322 . 5 1 1 A 32 32 ARG HA H 32 4.406 4.104 0.302 1
1 329 . 5 1 1 A 32 32 ARG C C 32 176.815 177.292 -0.477 1
1 330 . 5 1 1 A 32 32 ARG CA C 32 55.959 58.808 -2.849 1
1 331 . 5 1 1 A 32 32 ARG CB C 32 29.808 29.634 0.174 1
1 334 . 5 1 1 A 32 32 ARG N N 32 116.125 118.572 -2.447 1
1 335 . 5 1 1 A 33 33 LEU H H 33 7.421 7.580 -0.159 1
1 336 . 5 1 1 A 33 33 LEU HA H 33 4.409 4.205 0.204 1
1 346 . 5 1 1 A 33 33 LEU C C 33 177.349 176.115 1.234 1
1 347 . 5 1 1 A 33 33 LEU CA C 33 55.140 55.182 -0.042 1
1 348 . 5 1 1 A 33 33 LEU CB C 33 43.420 42.714 0.706 1
1 352 . 5 1 1 A 33 33 LEU N N 33 120.576 122.076 -1.500 1
1 353 . 5 1 1 A 34 34 ASP H H 34 8.168 8.755 -0.587 1
1 354 . 5 1 1 A 34 34 ASP HA H 34 4.646 4.966 -0.320 1
1 357 . 5 1 1 A 34 34 ASP C C 34 175.821 175.730 0.091 1
1 358 . 5 1 1 A 34 34 ASP CA C 34 52.415 53.120 -0.705 1
1 359 . 5 1 1 A 34 34 ASP CB C 34 41.177 41.116 0.061 1
1 360 . 5 1 1 A 34 34 ASP N N 34 122.502 122.040 0.462 1
1 361 . 5 1 1 A 35 35 ASN HA H 35 4.395 4.584 -0.189 1
1 366 . 5 1 1 A 35 35 ASN CA C 35 57.033 55.332 1.701 1
1 367 . 5 1 1 A 35 35 ASN CB C 35 38.344 38.123 0.221 1
1 369 . 5 1 1 A 36 36 ARG HA H 36 4.096 3.961 0.135 1
1 376 . 5 1 1 A 36 36 ARG C C 36 179.554 179.831 -0.277 1
1 377 . 5 1 1 A 36 36 ARG CA C 36 59.527 59.092 0.435 1
1 378 . 5 1 1 A 36 36 ARG CB C 36 29.626 29.832 -0.206 1
1 381 . 5 1 1 A 37 37 GLY H H 37 8.618 8.209 0.409 1
1 382 . 5 1 1 A 37 37 GLY HA2 H 37 3.888 3.738 0.150 1
1 383 . 5 1 1 A 37 37 GLY HA3 H 37 3.754 3.738 0.016 1
1 384 . 5 1 1 A 37 37 GLY C C 37 176.597 176.079 0.518 1
1 385 . 5 1 1 A 37 37 GLY CA C 37 47.048 47.175 -0.127 1
1 386 . 5 1 1 A 37 37 GLY N N 37 110.017 108.493 1.524 1
1 387 . 5 1 1 A 38 38 ALA H H 38 8.619 8.016 0.603 1
1 388 . 5 1 1 A 38 38 ALA HA H 38 3.945 3.907 0.038 1
1 392 . 5 1 1 A 38 38 ALA C C 38 178.924 179.607 -0.683 1
1 393 . 5 1 1 A 38 38 ALA CA C 38 55.123 54.660 0.463 1
1 394 . 5 1 1 A 38 38 ALA CB C 38 18.046 18.138 -0.092 1
1 395 . 5 1 1 A 38 38 ALA N N 38 124.889 124.404 0.485 1
1 396 . 5 1 1 A 39 39 THR H H 39 8.239 8.424 -0.185 1
1 397 . 5 1 1 A 39 39 THR HA H 39 3.895 3.839 0.056 1
1 402 . 5 1 1 A 39 39 THR C C 39 175.252 176.618 -1.366 1
1 403 . 5 1 1 A 39 39 THR CA C 39 66.889 67.056 -0.167 1
1 404 . 5 1 1 A 39 39 THR CB C 39 68.607 68.743 -0.136 1
1 406 . 5 1 1 A 39 39 THR N N 39 114.810 115.206 -0.396 1
1 407 . 5 1 1 A 40 40 LYS H H 40 7.518 8.073 -0.555 1
1 408 . 5 1 1 A 40 40 LYS HA H 40 4.098 4.187 -0.089 1
1 417 . 5 1 1 A 40 40 LYS C C 40 178.330 178.630 -0.300 1
1 418 . 5 1 1 A 40 40 LYS CA C 40 59.746 58.534 1.212 1
1 419 . 5 1 1 A 40 40 LYS CB C 40 32.106 32.381 -0.275 1
1 423 . 5 1 1 A 40 40 LYS N N 40 122.046 120.265 1.781 1
1 424 . 5 1 1 A 41 41 ILE H H 41 7.218 7.689 -0.471 1
1 425 . 5 1 1 A 41 41 ILE HA H 41 3.722 3.820 -0.098 1
1 435 . 5 1 1 A 41 41 ILE C C 41 178.197 178.208 -0.011 1
1 436 . 5 1 1 A 41 41 ILE CA C 41 64.055 64.242 -0.187 1
1 437 . 5 1 1 A 41 41 ILE CB C 41 36.482 37.042 -0.560 1
1 441 . 5 1 1 A 41 41 ILE N N 41 119.019 119.075 -0.056 1
1 442 . 5 1 1 A 42 42 LEU H H 42 7.940 8.248 -0.308 1
1 443 . 5 1 1 A 42 42 LEU HA H 42 3.988 3.936 0.052 1
1 453 . 5 1 1 A 42 42 LEU C C 42 179.251 178.865 0.386 1
1 454 . 5 1 1 A 42 42 LEU CA C 42 58.605 57.875 0.730 1
1 455 . 5 1 1 A 42 42 LEU CB C 42 41.694 41.427 0.267 1
1 459 . 5 1 1 A 42 42 LEU N N 42 119.163 120.490 -1.327 1
1 460 . 5 1 1 A 43 43 ALA H H 43 8.732 8.594 0.138 1
1 461 . 5 1 1 A 43 43 ALA HA H 43 4.222 4.146 0.076 1
1 465 . 5 1 1 A 43 43 ALA C C 43 180.899 179.326 1.573 1
1 466 . 5 1 1 A 43 43 ALA CA C 43 55.699 55.889 -0.190 1
1 467 . 5 1 1 A 43 43 ALA CB C 43 17.859 18.409 -0.550 1
1 468 . 5 1 1 A 43 43 ALA N N 43 122.225 121.599 0.626 1
1 469 . 5 1 1 A 44 44 ASP H H 44 8.350 8.154 0.196 1
1 470 . 5 1 1 A 44 44 ASP HA H 44 4.545 4.366 0.179 1
1 473 . 5 1 1 A 44 44 ASP C C 44 179.227 178.527 0.700 1
1 474 . 5 1 1 A 44 44 ASP CA C 44 57.507 57.535 -0.028 1
1 475 . 5 1 1 A 44 44 ASP CB C 44 39.719 40.895 -1.176 1
1 476 . 5 1 1 A 44 44 ASP N N 44 122.950 117.788 5.162 1
1 477 . 5 1 1 A 45 45 TRP H H 45 8.831 8.391 0.440 1
1 478 . 5 1 1 A 45 45 TRP HA H 45 4.692 4.385 0.307 1
1 487 . 5 1 1 A 45 45 TRP C C 45 179.057 178.820 0.237 1
1 488 . 5 1 1 A 45 45 TRP CA C 45 58.008 59.946 -1.938 1
1 489 . 5 1 1 A 45 45 TRP CB C 45 29.520 29.864 -0.344 1
1 495 . 5 1 1 A 45 45 TRP N N 45 122.321 119.802 2.519 1
1 497 . 5 1 1 A 46 46 TRP H H 46 8.921 8.783 0.138 1
1 498 . 5 1 1 A 46 46 TRP HA H 46 3.733 3.538 0.195 1
1 507 . 5 1 1 A 46 46 TRP C C 46 177.664 177.507 0.157 1
1 508 . 5 1 1 A 46 46 TRP CA C 46 59.279 60.878 -1.599 1
1 509 . 5 1 1 A 46 46 TRP CB C 46 30.508 28.981 1.527 1
1 515 . 5 1 1 A 46 46 TRP N N 46 120.243 121.452 -1.209 1
1 517 . 5 1 1 A 47 47 ALA H H 47 7.918 9.447 -1.529 1
1 518 . 5 1 1 A 47 47 ALA HA H 47 3.918 3.995 -0.077 1
1 522 . 5 1 1 A 47 47 ALA C C 47 179.978 178.071 1.907 1
1 523 . 5 1 1 A 47 47 ALA CA C 47 55.011 55.081 -0.070 1
1 524 . 5 1 1 A 47 47 ALA CB C 47 18.581 18.650 -0.069 1
1 525 . 5 1 1 A 47 47 ALA N N 47 117.935 120.875 -2.940 1
1 526 . 5 1 1 A 48 48 VAL H H 48 7.106 7.361 -0.255 1
1 527 . 5 1 1 A 48 48 VAL HA H 48 4.378 4.304 0.074 1
1 535 . 5 1 1 A 48 48 VAL C C 48 175.627 174.594 1.033 1
1 536 . 5 1 1 A 48 48 VAL CA C 48 60.641 60.293 0.348 1
1 537 . 5 1 1 A 48 48 VAL CB C 48 31.865 31.259 0.606 1
1 540 . 5 1 1 A 48 48 VAL N N 48 107.757 108.320 -0.563 1
1 541 . 5 1 1 A 49 49 LEU H H 49 7.008 7.285 -0.277 1
1 542 . 5 1 1 A 49 49 LEU HA H 49 3.948 5.165 -1.217 1
1 552 . 5 1 1 A 49 49 LEU C C 49 176.258 174.534 1.724 1
1 553 . 5 1 1 A 49 49 LEU CA C 49 55.032 53.121 1.911 1
1 554 . 5 1 1 A 49 49 LEU CB C 49 42.822 45.289 -2.467 1
1 558 . 5 1 1 A 49 49 LEU N N 49 125.594 124.590 1.004 1
1 559 . 5 1 1 A 50 50 ASP H H 50 8.485 8.746 -0.261 1
1 560 . 5 1 1 A 50 50 ASP HA H 50 4.643 4.729 -0.086 1
1 563 . 5 1 1 A 50 50 ASP CA C 50 52.855 52.961 -0.106 1
1 564 . 5 1 1 A 50 50 ASP CB C 50 42.605 40.851 1.754 1
1 565 . 5 1 1 A 51 51 PRO HA H 51 4.025 4.272 -0.247 1
1 572 . 5 1 1 A 51 51 PRO C C 51 179.166 179.012 0.154 1
1 573 . 5 1 1 A 51 51 PRO CA C 51 65.861 65.910 -0.049 1
1 574 . 5 1 1 A 51 51 PRO CB C 51 32.458 31.475 0.983 1
1 577 . 5 1 1 A 52 52 LYS H H 52 8.866 8.295 0.571 1
1 578 . 5 1 1 A 52 52 LYS HA H 52 4.165 3.982 0.183 1
1 585 . 5 1 1 A 52 52 LYS C C 52 179.542 179.355 0.187 1
1 586 . 5 1 1 A 52 52 LYS CA C 52 59.484 59.783 -0.299 1
1 587 . 5 1 1 A 52 52 LYS CB C 52 31.906 32.301 -0.395 1
1 591 . 5 1 1 A 52 52 LYS N N 52 118.625 118.106 0.519 1
1 592 . 5 1 1 A 53 53 GLU H H 53 7.727 8.326 -0.599 1
1 593 . 5 1 1 A 53 53 GLU HA H 53 4.343 4.049 0.294 1
1 598 . 5 1 1 A 53 53 GLU C C 53 179.335 179.471 -0.136 1
1 599 . 5 1 1 A 53 53 GLU CA C 53 58.355 59.532 -1.177 1
1 600 . 5 1 1 A 53 53 GLU CB C 53 29.726 29.379 0.347 1
1 602 . 5 1 1 A 53 53 GLU N N 53 120.460 119.784 0.676 1
1 603 . 5 1 1 A 54 54 LYS H H 54 8.194 7.678 0.516 1
1 604 . 5 1 1 A 54 54 LYS HA H 54 3.949 4.332 -0.383 1
1 613 . 5 1 1 A 54 54 LYS C C 54 179.566 179.178 0.388 1
1 614 . 5 1 1 A 54 54 LYS CA C 54 60.920 60.172 0.748 1
1 615 . 5 1 1 A 54 54 LYS CB C 54 32.481 32.165 0.316 1
1 619 . 5 1 1 A 54 54 LYS N N 54 118.859 118.429 0.430 1
1 620 . 5 1 1 A 55 55 GLN H H 55 7.965 9.124 -1.159 1
1 621 . 5 1 1 A 55 55 GLN HA H 55 4.025 4.121 -0.096 1
1 628 . 5 1 1 A 55 55 GLN C C 55 177.154 178.296 -1.142 1
1 629 . 5 1 1 A 55 55 GLN CA C 55 58.064 59.161 -1.097 1
1 630 . 5 1 1 A 55 55 GLN CB C 55 28.163 28.253 -0.090 1
1 632 . 5 1 1 A 55 55 GLN N N 55 117.922 119.693 -1.771 1
1 634 . 5 1 1 A 56 56 LYS H H 56 7.483 8.435 -0.952 1
1 635 . 5 1 1 A 56 56 LYS HA H 56 4.205 4.087 0.118 1
1 644 . 5 1 1 A 56 56 LYS C C 56 179.772 178.714 1.058 1
1 645 . 5 1 1 A 56 56 LYS CA C 56 59.671 59.022 0.649 1
1 646 . 5 1 1 A 56 56 LYS CB C 56 31.700 32.495 -0.795 1
1 650 . 5 1 1 A 56 56 LYS N N 56 118.491 119.734 -1.243 1
1 651 . 5 1 1 A 57 57 TYR H H 57 7.707 8.537 -0.830 1
1 652 . 5 1 1 A 57 57 TYR HA H 57 4.344 4.453 -0.109 1
1 659 . 5 1 1 A 57 57 TYR C C 57 177.966 178.656 -0.690 1
1 660 . 5 1 1 A 57 57 TYR CA C 57 62.784 60.004 2.780 1
1 661 . 5 1 1 A 57 57 TYR CB C 57 38.973 37.955 1.018 1
1 666 . 5 1 1 A 57 57 TYR N N 57 117.968 119.405 -1.437 1
1 667 . 5 1 1 A 58 58 THR H H 58 8.458 8.459 -0.001 1
1 668 . 5 1 1 A 58 58 THR HA H 58 4.074 4.181 -0.107 1
1 673 . 5 1 1 A 58 58 THR C C 58 177.203 176.095 1.108 1
1 674 . 5 1 1 A 58 58 THR CA C 58 67.168 66.418 0.750 1
1 675 . 5 1 1 A 58 58 THR CB C 58 68.401 68.852 -0.451 1
1 677 . 5 1 1 A 58 58 THR N N 58 118.700 115.415 3.285 1
1 678 . 5 1 1 A 59 59 ASP H H 59 8.807 8.301 0.506 1
1 679 . 5 1 1 A 59 59 ASP HA H 59 4.514 4.409 0.105 1
1 682 . 5 1 1 A 59 59 ASP C C 59 179.154 178.503 0.651 1
1 683 . 5 1 1 A 59 59 ASP CA C 59 57.754 57.205 0.549 1
1 684 . 5 1 1 A 59 59 ASP CB C 59 39.801 40.687 -0.886 1
1 685 . 5 1 1 A 59 59 ASP N N 59 123.812 120.903 2.909 1
1 686 . 5 1 1 A 60 60 MET H H 60 8.085 8.255 -0.170 1
1 687 . 5 1 1 A 60 60 MET HA H 60 4.161 4.271 -0.110 1
1 695 . 5 1 1 A 60 60 MET C C 60 178.378 178.023 0.355 1
1 696 . 5 1 1 A 60 60 MET CA C 60 58.980 58.613 0.367 1
1 697 . 5 1 1 A 60 60 MET CB C 60 34.227 32.309 1.918 1
1 700 . 5 1 1 A 60 60 MET N N 60 120.481 117.476 3.005 1
1 701 . 5 1 1 A 61 61 ALA H H 61 8.296 8.158 0.138 1
1 702 . 5 1 1 A 61 61 ALA HA H 61 4.114 4.392 -0.278 1
1 706 . 5 1 1 A 61 61 ALA C C 61 179.408 179.211 0.197 1
1 707 . 5 1 1 A 61 61 ALA CA C 61 54.935 55.233 -0.298 1
1 708 . 5 1 1 A 61 61 ALA CB C 61 17.759 19.040 -1.281 1
1 709 . 5 1 1 A 61 61 ALA N N 61 121.147 121.802 -0.655 1
1 710 . 5 1 1 A 62 62 LYS H H 62 7.812 8.145 -0.333 1
1 711 . 5 1 1 A 62 62 LYS HA H 62 4.177 3.993 0.184 1
1 720 . 5 1 1 A 62 62 LYS C C 62 177.979 178.047 -0.068 1
1 721 . 5 1 1 A 62 62 LYS CA C 62 59.289 59.538 -0.249 1
1 722 . 5 1 1 A 62 62 LYS CB C 62 32.539 32.072 0.467 1
1 726 . 5 1 1 A 62 62 LYS N N 62 119.686 118.786 0.900 1
1 727 . 5 1 1 A 63 63 GLU H H 63 7.810 7.507 0.303 1
1 728 . 5 1 1 A 63 63 GLU HA H 63 4.216 4.075 0.141 1
1 733 . 5 1 1 A 63 63 GLU C C 63 178.597 178.826 -0.229 1
1 734 . 5 1 1 A 63 63 GLU CA C 63 58.386 58.853 -0.467 1
1 735 . 5 1 1 A 63 63 GLU CB C 63 29.644 29.672 -0.028 1
1 737 . 5 1 1 A 63 63 GLU N N 63 118.765 119.115 -0.350 1
1 738 . 5 1 1 A 64 64 TYR H H 64 8.098 8.011 0.087 1
1 739 . 5 1 1 A 64 64 TYR HA H 64 4.395 4.352 0.043 1
1 746 . 5 1 1 A 64 64 TYR C C 64 177.639 178.386 -0.747 1
1 747 . 5 1 1 A 64 64 TYR CA C 64 60.006 61.015 -1.009 1
1 748 . 5 1 1 A 64 64 TYR CB C 64 38.198 38.187 0.011 1
1 753 . 5 1 1 A 64 64 TYR N N 64 119.914 119.960 -0.046 1
1 754 . 5 1 1 A 65 65 LYS H H 65 8.225 9.807 -1.582 1
1 755 . 5 1 1 A 65 65 LYS HA H 65 4.146 3.937 0.209 1
1 764 . 5 1 1 A 65 65 LYS C C 65 177.481 177.967 -0.486 1
1 765 . 5 1 1 A 65 65 LYS CA C 65 58.793 59.839 -1.046 1
1 766 . 5 1 1 A 65 65 LYS CB C 65 32.523 31.925 0.598 1
1 770 . 5 1 1 A 65 65 LYS N N 65 122.842 121.928 0.914 1
1 771 . 5 1 1 A 66 66 ASP H H 66 8.402 8.070 0.332 1
1 772 . 5 1 1 A 66 66 ASP HA H 66 4.485 4.518 -0.033 1
1 775 . 5 1 1 A 66 66 ASP C C 66 177.930 178.363 -0.433 1
1 776 . 5 1 1 A 66 66 ASP CA C 66 56.423 57.876 -1.453 1
1 777 . 5 1 1 A 66 66 ASP CB C 66 40.829 41.209 -0.380 1
1 778 . 5 1 1 A 66 66 ASP N N 66 120.424 119.475 0.949 1
1 779 . 5 1 1 A 67 67 ALA H H 67 7.989 7.967 0.022 1
1 780 . 5 1 1 A 67 67 ALA HA H 67 4.151 4.129 0.022 1
1 784 . 5 1 1 A 67 67 ALA C C 67 179.457 179.707 -0.250 1
1 785 . 5 1 1 A 67 67 ALA CA C 67 54.274 55.080 -0.806 1
1 786 . 5 1 1 A 67 67 ALA CB C 67 18.499 18.725 -0.226 1
1 787 . 5 1 1 A 67 67 ALA N N 67 122.273 121.718 0.555 1
1 788 . 5 1 1 A 68 68 PHE H H 68 8.235 8.471 -0.236 1
1 789 . 5 1 1 A 68 68 PHE HA H 68 4.314 4.015 0.299 1
1 796 . 5 1 1 A 68 68 PHE C C 68 177.421 176.342 1.079 1
1 797 . 5 1 1 A 68 68 PHE CA C 68 60.193 62.123 -1.930 1
1 798 . 5 1 1 A 68 68 PHE CB C 68 39.390 39.147 0.243 1
1 803 . 5 1 1 A 68 68 PHE N N 68 119.632 119.426 0.206 1
1 804 . 5 1 1 A 69 69 MET H H 69 8.325 8.255 0.070 1
1 805 . 5 1 1 A 69 69 MET HA H 69 4.296 4.350 -0.054 1
1 813 . 5 1 1 A 69 69 MET C C 69 177.651 175.837 1.814 1
1 814 . 5 1 1 A 69 69 MET CA C 69 56.645 55.085 1.560 1
1 815 . 5 1 1 A 69 69 MET CB C 69 32.108 32.736 -0.628 1
1 818 . 5 1 1 A 69 69 MET N N 69 119.223 115.927 3.296 1
1 819 . 5 1 1 A 70 70 LYS H H 70 7.864 8.912 -1.048 1
1 820 . 5 1 1 A 70 70 LYS HA H 70 4.092 4.528 -0.436 1
1 829 . 5 1 1 A 70 70 LYS C C 70 177.009 176.477 0.532 1
1 830 . 5 1 1 A 70 70 LYS CA C 70 57.769 57.661 0.108 1
1 831 . 5 1 1 A 70 70 LYS CB C 70 32.687 35.144 -2.457 1
1 835 . 5 1 1 A 70 70 LYS N N 70 120.004 127.147 -7.143 1
1 836 . 5 1 1 A 71 71 ALA H H 71 7.670 7.935 -0.265 1
1 837 . 5 1 1 A 71 71 ALA HA H 71 4.264 4.473 -0.209 1
1 841 . 5 1 1 A 71 71 ALA C C 71 177.009 175.519 1.490 1
1 842 . 5 1 1 A 71 71 ALA CA C 71 52.603 50.935 1.668 1
1 843 . 5 1 1 A 71 71 ALA CB C 71 19.321 18.482 0.839 1
1 844 . 5 1 1 A 71 71 ALA N N 71 121.270 120.994 0.276 1
1 845 . 5 1 1 A 72 72 ASN H H 72 7.846 8.198 -0.352 1
1 846 . 5 1 1 A 72 72 ASN HA H 72 4.972 5.256 -0.284 1
1 851 . 5 1 1 A 72 72 ASN C C 72 172.453 173.441 -0.988 1
1 852 . 5 1 1 A 72 72 ASN CA C 72 51.185 49.096 2.089 1
1 853 . 5 1 1 A 72 72 ASN CB C 72 39.350 41.110 -1.760 1
1 854 . 5 1 1 A 72 72 ASN N N 72 117.432 118.546 -1.114 1
1 856 . 5 1 1 A 73 73 PRO HA H 73 4.465 4.363 0.102 1
1 863 . 5 1 1 A 73 73 PRO C C 73 177.857 177.323 0.534 1
1 864 . 5 1 1 A 73 73 PRO CA C 73 63.972 63.602 0.370 1
1 865 . 5 1 1 A 73 73 PRO CB C 73 31.884 32.388 -0.504 1
1 868 . 5 1 1 A 74 74 GLY H H 74 8.538 8.985 -0.447 1
1 869 . 5 1 1 A 74 74 GLY HA2 H 74 3.881 3.963 -0.082 1
1 870 . 5 1 1 A 74 74 GLY HA3 H 74 3.957 3.963 -0.006 1
1 871 . 5 1 1 A 74 74 GLY C C 74 174.210 173.346 0.864 1
1 872 . 5 1 1 A 74 74 GLY CA C 74 45.216 46.920 -1.704 1
1 873 . 5 1 1 A 74 74 GLY N N 74 108.444 111.268 -2.824 1
1 874 . 5 1 1 A 75 75 TYR H H 75 7.878 7.704 0.174 1
1 875 . 5 1 1 A 75 75 TYR HA H 75 4.449 4.932 -0.483 1
1 882 . 5 1 1 A 75 75 TYR C C 75 175.640 173.567 2.073 1
1 883 . 5 1 1 A 75 75 TYR CA C 75 58.778 58.142 0.636 1
1 884 . 5 1 1 A 75 75 TYR CB C 75 38.856 41.173 -2.317 1
1 889 . 5 1 1 A 75 75 TYR N N 75 120.970 118.855 2.115 1
1 890 . 5 1 1 A 76 76 ARG H H 76 8.039 7.662 0.377 1
1 891 . 5 1 1 A 76 76 ARG HA H 76 4.346 4.073 0.273 1
1 898 . 5 1 1 A 76 76 ARG C C 76 175.482 176.223 -0.741 1
1 899 . 5 1 1 A 76 76 ARG CA C 76 55.510 55.881 -0.371 1
1 900 . 5 1 1 A 76 76 ARG CB C 76 31.307 31.896 -0.589 1
1 903 . 5 1 1 A 76 76 ARG N N 76 124.540 122.809 1.731 1
1 904 . 5 1 1 A 77 77 SER HA H 77 4.430 4.351 0.079 1
1 907 . 5 1 1 A 77 77 SER CA C 77 58.319 60.148 -1.829 1
1 908 . 5 1 1 A 77 77 SER CB C 77 63.982 62.717 1.265 1
1 909 . 5 1 1 A 78 78 GLY HA2 H 78 4.154 3.958 0.196 1
1 910 . 5 1 1 A 78 78 GLY HA3 H 78 4.154 3.975 0.179 1
1 911 . 5 1 1 A 78 78 GLY CA C 78 44.731 45.928 -1.197 1
1 912 . 5 1 1 A 79 79 PRO HA H 79 4.495 4.498 -0.003 1
1 917 . 5 1 1 A 79 79 PRO CA C 79 63.366 62.600 0.766 1
1 918 . 5 1 1 A 79 79 PRO CB C 79 32.289 32.691 -0.402 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.967 4.100 -0.133 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.967 4.101 -0.134 1
1 3 . 6 1 1 A 7 7 GLY C C 7 173.907 172.545 1.362 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.273 44.823 0.450 1
1 5 . 6 1 1 A 8 8 ALA H H 8 8.092 8.395 -0.303 1
1 6 . 6 1 1 A 8 8 ALA HA H 8 4.335 4.874 -0.539 1
1 10 . 6 1 1 A 8 8 ALA C C 8 177.772 175.664 2.108 1
1 11 . 6 1 1 A 8 8 ALA CA C 8 52.468 51.714 0.754 1
1 12 . 6 1 1 A 8 8 ALA CB C 8 19.404 20.511 -1.107 1
1 13 . 6 1 1 A 8 8 ALA N N 8 123.589 123.278 0.311 1
1 14 . 6 1 1 A 9 9 ARG H H 9 8.298 8.584 -0.286 1
1 15 . 6 1 1 A 9 9 ARG HA H 9 4.348 4.342 0.006 1
1 22 . 6 1 1 A 9 9 ARG C C 9 175.894 175.208 0.686 1
1 23 . 6 1 1 A 9 9 ARG CA C 9 55.999 57.281 -1.282 1
1 24 . 6 1 1 A 9 9 ARG CB C 9 30.813 32.518 -1.705 1
1 27 . 6 1 1 A 9 9 ARG N N 9 120.366 123.350 -2.984 1
1 28 . 6 1 1 A 10 10 ARG H H 10 8.212 7.918 0.294 1
1 29 . 6 1 1 A 10 10 ARG HA H 10 4.468 4.415 0.053 1
1 36 . 6 1 1 A 10 10 ARG C C 10 173.810 174.004 -0.194 1
1 37 . 6 1 1 A 10 10 ARG CA C 10 53.783 54.195 -0.412 1
1 38 . 6 1 1 A 10 10 ARG CB C 10 30.384 29.241 1.143 1
1 41 . 6 1 1 A 10 10 ARG N N 10 122.690 119.963 2.727 1
1 42 . 6 1 1 A 11 11 PRO HA H 11 4.322 4.427 -0.105 1
1 49 . 6 1 1 A 11 11 PRO C C 11 176.427 175.972 0.455 1
1 50 . 6 1 1 A 11 11 PRO CA C 11 62.905 62.206 0.699 1
1 51 . 6 1 1 A 11 11 PRO CB C 11 31.929 33.071 -1.142 1
1 54 . 6 1 1 A 12 12 MET H H 12 8.237 8.384 -0.147 1
1 55 . 6 1 1 A 12 12 MET HA H 12 4.441 5.162 -0.721 1
1 63 . 6 1 1 A 12 12 MET C C 12 175.094 175.754 -0.660 1
1 64 . 6 1 1 A 12 12 MET CA C 12 55.400 53.495 1.905 1
1 65 . 6 1 1 A 12 12 MET CB C 12 33.327 34.132 -0.805 1
1 68 . 6 1 1 A 12 12 MET N N 12 120.543 117.874 2.669 1
1 69 . 6 1 1 A 13 13 ASN H H 13 7.399 8.891 -1.492 1
1 70 . 6 1 1 A 13 13 ASN HA H 13 4.650 4.981 -0.331 1
1 75 . 6 1 1 A 13 13 ASN C C 13 174.743 176.709 -1.966 1
1 76 . 6 1 1 A 13 13 ASN CA C 13 52.456 52.972 -0.516 1
1 77 . 6 1 1 A 13 13 ASN CB C 13 39.513 39.642 -0.129 1
1 78 . 6 1 1 A 13 13 ASN N N 13 118.399 122.151 -3.752 1
1 80 . 6 1 1 A 14 14 ALA H H 14 8.681 8.947 -0.266 1
1 81 . 6 1 1 A 14 14 ALA HA H 14 3.964 4.182 -0.218 1
1 85 . 6 1 1 A 14 14 ALA C C 14 177.736 179.453 -1.717 1
1 86 . 6 1 1 A 14 14 ALA CA C 14 56.221 55.109 1.112 1
1 87 . 6 1 1 A 14 14 ALA CB C 14 19.568 18.636 0.932 1
1 88 . 6 1 1 A 14 14 ALA N N 14 122.169 123.033 -0.864 1
1 89 . 6 1 1 A 15 15 PHE H H 15 8.002 7.626 0.376 1
1 90 . 6 1 1 A 15 15 PHE HA H 15 2.866 2.395 0.471 1
1 98 . 6 1 1 A 15 15 PHE C C 15 177.821 176.804 1.017 1
1 99 . 6 1 1 A 15 15 PHE CA C 15 59.132 60.413 -1.281 1
1 100 . 6 1 1 A 15 15 PHE CB C 15 38.239 38.108 0.131 1
1 106 . 6 1 1 A 15 15 PHE N N 15 116.867 119.145 -2.278 1
1 107 . 6 1 1 A 16 16 LEU H H 16 8.264 8.273 -0.009 1
1 108 . 6 1 1 A 16 16 LEU HA H 16 3.642 3.599 0.043 1
1 118 . 6 1 1 A 16 16 LEU C C 16 180.354 179.566 0.788 1
1 119 . 6 1 1 A 16 16 LEU CA C 16 58.236 56.850 1.386 1
1 120 . 6 1 1 A 16 16 LEU CB C 16 41.365 41.197 0.168 1
1 124 . 6 1 1 A 16 16 LEU N N 16 120.647 118.945 1.702 1
1 125 . 6 1 1 A 17 17 LEU H H 17 7.977 7.006 0.971 1
1 126 . 6 1 1 A 17 17 LEU HA H 17 4.065 4.121 -0.056 1
1 136 . 6 1 1 A 17 17 LEU C C 17 178.984 179.007 -0.023 1
1 137 . 6 1 1 A 17 17 LEU CA C 17 58.165 57.485 0.680 1
1 138 . 6 1 1 A 17 17 LEU CB C 17 41.693 42.258 -0.565 1
1 142 . 6 1 1 A 17 17 LEU N N 17 121.855 118.810 3.045 1
1 143 . 6 1 1 A 18 18 PHE H H 18 8.136 7.667 0.469 1
1 144 . 6 1 1 A 18 18 PHE HA H 18 3.769 4.259 -0.490 1
1 150 . 6 1 1 A 18 18 PHE C C 18 179.020 177.894 1.126 1
1 151 . 6 1 1 A 18 18 PHE CA C 18 62.333 61.734 0.599 1
1 152 . 6 1 1 A 18 18 PHE CB C 18 39.122 39.066 0.056 1
1 156 . 6 1 1 A 18 18 PHE N N 18 122.907 118.085 4.822 1
1 157 . 6 1 1 A 19 19 CYS H H 19 8.520 7.948 0.572 1
1 158 . 6 1 1 A 19 19 CYS HA H 19 3.728 4.074 -0.346 1
1 161 . 6 1 1 A 19 19 CYS C C 19 176.136 176.690 -0.554 1
1 162 . 6 1 1 A 19 19 CYS CA C 19 64.313 63.734 0.579 1
1 163 . 6 1 1 A 19 19 CYS CB C 19 26.577 27.439 -0.862 1
1 164 . 6 1 1 A 19 19 CYS N N 19 119.069 116.991 2.078 1
1 165 . 6 1 1 A 20 20 LYS H H 20 7.969 7.473 0.496 1
1 166 . 6 1 1 A 20 20 LYS HA H 20 3.953 4.139 -0.186 1
1 175 . 6 1 1 A 20 20 LYS C C 20 179.133 178.438 0.695 1
1 176 . 6 1 1 A 20 20 LYS CA C 20 59.295 58.421 0.874 1
1 177 . 6 1 1 A 20 20 LYS CB C 20 32.111 32.185 -0.074 1
1 181 . 6 1 1 A 20 20 LYS N N 20 119.888 119.797 0.091 1
1 182 . 6 1 1 A 21 21 ARG H H 21 7.493 7.883 -0.390 1
1 183 . 6 1 1 A 21 21 ARG HA H 21 4.166 4.203 -0.037 1
1 190 . 6 1 1 A 21 21 ARG C C 21 177.239 178.058 -0.819 1
1 191 . 6 1 1 A 21 21 ARG CA C 21 57.575 58.413 -0.838 1
1 192 . 6 1 1 A 21 21 ARG CB C 21 30.137 30.979 -0.842 1
1 195 . 6 1 1 A 21 21 ARG N N 21 116.105 119.835 -3.730 1
1 196 . 6 1 1 A 22 22 HIS H H 22 7.354 8.201 -0.847 1
1 197 . 6 1 1 A 22 22 HIS HA H 22 4.706 4.465 0.241 1
1 201 . 6 1 1 A 22 22 HIS C C 22 175.627 176.345 -0.718 1
1 202 . 6 1 1 A 22 22 HIS CA C 22 58.593 57.752 0.841 1
1 203 . 6 1 1 A 22 22 HIS CB C 22 30.754 30.348 0.406 1
1 205 . 6 1 1 A 22 22 HIS N N 22 113.808 116.119 -2.311 1
1 206 . 6 1 1 A 23 23 ARG H H 23 8.372 8.152 0.220 1
1 207 . 6 1 1 A 23 23 ARG HA H 23 3.793 3.885 -0.092 1
1 214 . 6 1 1 A 23 23 ARG C C 23 177.930 178.472 -0.542 1
1 215 . 6 1 1 A 23 23 ARG CA C 23 60.747 59.506 1.241 1
1 216 . 6 1 1 A 23 23 ARG CB C 23 29.251 30.426 -1.175 1
1 219 . 6 1 1 A 23 23 ARG N N 23 123.560 120.821 2.739 1
1 220 . 6 1 1 A 24 24 SER HA H 24 4.163 4.166 -0.003 1
1 223 . 6 1 1 A 24 24 SER CA C 24 61.523 61.723 -0.200 1
1 224 . 6 1 1 A 24 24 SER CB C 24 62.116 63.049 -0.933 1
1 225 . 6 1 1 A 25 25 LEU H H 25 7.504 8.089 -0.585 1
1 226 . 6 1 1 A 25 25 LEU HA H 25 4.265 4.009 0.256 1
1 236 . 6 1 1 A 25 25 LEU C C 25 179.336 178.605 0.731 1
1 237 . 6 1 1 A 25 25 LEU CA C 25 57.837 58.706 -0.869 1
1 238 . 6 1 1 A 25 25 LEU CB C 25 41.470 42.018 -0.548 1
1 242 . 6 1 1 A 25 25 LEU N N 25 124.174 122.092 2.082 1
1 243 . 6 1 1 A 26 26 VAL H H 26 7.802 8.293 -0.491 1
1 244 . 6 1 1 A 26 26 VAL HA H 26 3.833 3.510 0.323 1
1 252 . 6 1 1 A 26 26 VAL C C 26 177.712 178.146 -0.434 1
1 253 . 6 1 1 A 26 26 VAL CA C 26 66.662 66.935 -0.273 1
1 254 . 6 1 1 A 26 26 VAL CB C 26 31.670 31.333 0.337 1
1 257 . 6 1 1 A 26 26 VAL N N 26 119.266 119.240 0.026 1
1 258 . 6 1 1 A 27 27 ARG H H 27 7.922 8.841 -0.919 1
1 259 . 6 1 1 A 27 27 ARG HA H 27 4.043 4.013 0.030 1
1 266 . 6 1 1 A 27 27 ARG C C 27 177.785 178.609 -0.824 1
1 267 . 6 1 1 A 27 27 ARG CA C 27 58.683 59.639 -0.956 1
1 268 . 6 1 1 A 27 27 ARG CB C 27 29.720 29.967 -0.247 1
1 271 . 6 1 1 A 27 27 ARG N N 27 118.035 119.108 -1.073 1
1 272 . 6 1 1 A 28 28 GLN H H 28 7.707 8.104 -0.397 1
1 273 . 6 1 1 A 28 28 GLN HA H 28 4.092 4.142 -0.050 1
1 280 . 6 1 1 A 28 28 GLN C C 28 177.785 178.280 -0.495 1
1 281 . 6 1 1 A 28 28 GLN CA C 28 58.233 58.678 -0.445 1
1 282 . 6 1 1 A 28 28 GLN CB C 28 29.191 28.980 0.211 1
1 284 . 6 1 1 A 28 28 GLN N N 28 116.893 118.132 -1.239 1
1 286 . 6 1 1 A 29 29 GLU H H 29 7.864 8.323 -0.459 1
1 287 . 6 1 1 A 29 29 GLU HA H 29 4.131 4.019 0.112 1
1 292 . 6 1 1 A 29 29 GLU C C 29 176.246 176.255 -0.009 1
1 293 . 6 1 1 A 29 29 GLU CA C 29 57.808 58.447 -0.639 1
1 294 . 6 1 1 A 29 29 GLU CB C 29 31.004 29.330 1.674 1
1 296 . 6 1 1 A 29 29 GLU N N 29 116.949 119.380 -2.431 1
1 297 . 6 1 1 A 30 30 HIS H H 30 8.058 8.414 -0.356 1
1 298 . 6 1 1 A 30 30 HIS HA H 30 5.071 5.096 -0.025 1
1 303 . 6 1 1 A 30 30 HIS C C 30 173.519 174.018 -0.499 1
1 304 . 6 1 1 A 30 30 HIS CA C 30 53.347 53.340 0.007 1
1 305 . 6 1 1 A 30 30 HIS CB C 30 30.649 29.678 0.971 1
1 308 . 6 1 1 A 30 30 HIS N N 30 116.711 116.987 -0.276 1
1 309 . 6 1 1 A 31 31 PRO HA H 31 4.648 4.481 0.167 1
1 316 . 6 1 1 A 31 31 PRO C C 31 178.197 178.990 -0.793 1
1 317 . 6 1 1 A 31 31 PRO CA C 31 64.911 64.935 -0.024 1
1 318 . 6 1 1 A 31 31 PRO CB C 31 32.458 32.090 0.368 1
1 321 . 6 1 1 A 32 32 ARG H H 32 8.617 8.425 0.192 1
1 322 . 6 1 1 A 32 32 ARG HA H 32 4.406 4.071 0.335 1
1 329 . 6 1 1 A 32 32 ARG C C 32 176.815 177.749 -0.934 1
1 330 . 6 1 1 A 32 32 ARG CA C 32 55.959 58.995 -3.036 1
1 331 . 6 1 1 A 32 32 ARG CB C 32 29.808 29.841 -0.033 1
1 334 . 6 1 1 A 32 32 ARG N N 32 116.125 118.712 -2.587 1
1 335 . 6 1 1 A 33 33 LEU H H 33 7.421 7.680 -0.259 1
1 336 . 6 1 1 A 33 33 LEU HA H 33 4.409 4.228 0.181 1
1 346 . 6 1 1 A 33 33 LEU C C 33 177.349 176.352 0.997 1
1 347 . 6 1 1 A 33 33 LEU CA C 33 55.140 55.275 -0.135 1
1 348 . 6 1 1 A 33 33 LEU CB C 33 43.420 42.378 1.042 1
1 352 . 6 1 1 A 33 33 LEU N N 33 120.576 120.564 0.012 1
1 353 . 6 1 1 A 34 34 ASP H H 34 8.168 9.003 -0.835 1
1 354 . 6 1 1 A 34 34 ASP HA H 34 4.646 4.629 0.017 1
1 357 . 6 1 1 A 34 34 ASP C C 34 175.821 177.714 -1.893 1
1 358 . 6 1 1 A 34 34 ASP CA C 34 52.415 56.065 -3.650 1
1 359 . 6 1 1 A 34 34 ASP CB C 34 41.177 40.681 0.496 1
1 360 . 6 1 1 A 34 34 ASP N N 34 122.502 121.905 0.597 1
1 361 . 6 1 1 A 35 35 ASN HA H 35 4.395 4.907 -0.512 1
1 366 . 6 1 1 A 35 35 ASN CA C 35 57.033 53.925 3.108 1
1 367 . 6 1 1 A 35 35 ASN CB C 35 38.344 39.994 -1.650 1
1 369 . 6 1 1 A 36 36 ARG HA H 36 4.096 3.994 0.102 1
1 376 . 6 1 1 A 36 36 ARG C C 36 179.554 178.763 0.791 1
1 377 . 6 1 1 A 36 36 ARG CA C 36 59.527 59.676 -0.149 1
1 378 . 6 1 1 A 36 36 ARG CB C 36 29.626 29.958 -0.332 1
1 381 . 6 1 1 A 37 37 GLY H H 37 8.618 8.204 0.414 1
1 382 . 6 1 1 A 37 37 GLY HA2 H 37 3.888 3.722 0.166 1
1 383 . 6 1 1 A 37 37 GLY HA3 H 37 3.754 3.723 0.031 1
1 384 . 6 1 1 A 37 37 GLY C C 37 176.597 176.082 0.515 1
1 385 . 6 1 1 A 37 37 GLY CA C 37 47.048 47.307 -0.259 1
1 386 . 6 1 1 A 37 37 GLY N N 37 110.017 107.147 2.870 1
1 387 . 6 1 1 A 38 38 ALA H H 38 8.619 7.951 0.668 1
1 388 . 6 1 1 A 38 38 ALA HA H 38 3.945 3.965 -0.020 1
1 392 . 6 1 1 A 38 38 ALA C C 38 178.924 178.544 0.380 1
1 393 . 6 1 1 A 38 38 ALA CA C 38 55.123 54.326 0.797 1
1 394 . 6 1 1 A 38 38 ALA CB C 38 18.046 18.419 -0.373 1
1 395 . 6 1 1 A 38 38 ALA N N 38 124.889 124.552 0.337 1
1 396 . 6 1 1 A 39 39 THR H H 39 8.239 7.762 0.477 1
1 397 . 6 1 1 A 39 39 THR HA H 39 3.895 4.145 -0.250 1
1 402 . 6 1 1 A 39 39 THR C C 39 175.252 175.956 -0.704 1
1 403 . 6 1 1 A 39 39 THR CA C 39 66.889 65.360 1.529 1
1 404 . 6 1 1 A 39 39 THR CB C 39 68.607 68.709 -0.102 1
1 406 . 6 1 1 A 39 39 THR N N 39 114.810 112.083 2.727 1
1 407 . 6 1 1 A 40 40 LYS H H 40 7.518 9.107 -1.589 1
1 408 . 6 1 1 A 40 40 LYS HA H 40 4.098 4.038 0.060 1
1 417 . 6 1 1 A 40 40 LYS C C 40 178.330 178.979 -0.649 1
1 418 . 6 1 1 A 40 40 LYS CA C 40 59.746 59.096 0.650 1
1 419 . 6 1 1 A 40 40 LYS CB C 40 32.106 31.825 0.281 1
1 423 . 6 1 1 A 40 40 LYS N N 40 122.046 121.720 0.326 1
1 424 . 6 1 1 A 41 41 ILE H H 41 7.218 7.451 -0.233 1
1 425 . 6 1 1 A 41 41 ILE HA H 41 3.722 3.718 0.004 1
1 435 . 6 1 1 A 41 41 ILE C C 41 178.197 178.245 -0.048 1
1 436 . 6 1 1 A 41 41 ILE CA C 41 64.055 64.517 -0.462 1
1 437 . 6 1 1 A 41 41 ILE CB C 41 36.482 37.439 -0.957 1
1 441 . 6 1 1 A 41 41 ILE N N 41 119.019 120.807 -1.788 1
1 442 . 6 1 1 A 42 42 LEU H H 42 7.940 7.736 0.204 1
1 443 . 6 1 1 A 42 42 LEU HA H 42 3.988 3.954 0.034 1
1 453 . 6 1 1 A 42 42 LEU C C 42 179.251 179.025 0.226 1
1 454 . 6 1 1 A 42 42 LEU CA C 42 58.605 58.010 0.595 1
1 455 . 6 1 1 A 42 42 LEU CB C 42 41.694 41.501 0.193 1
1 459 . 6 1 1 A 42 42 LEU N N 42 119.163 119.799 -0.636 1
1 460 . 6 1 1 A 43 43 ALA H H 43 8.732 8.238 0.494 1
1 461 . 6 1 1 A 43 43 ALA HA H 43 4.222 4.312 -0.090 1
1 465 . 6 1 1 A 43 43 ALA C C 43 180.899 179.383 1.516 1
1 466 . 6 1 1 A 43 43 ALA CA C 43 55.699 55.688 0.011 1
1 467 . 6 1 1 A 43 43 ALA CB C 43 17.859 18.607 -0.748 1
1 468 . 6 1 1 A 43 43 ALA N N 43 122.225 121.471 0.754 1
1 469 . 6 1 1 A 44 44 ASP H H 44 8.350 7.927 0.423 1
1 470 . 6 1 1 A 44 44 ASP HA H 44 4.545 4.389 0.156 1
1 473 . 6 1 1 A 44 44 ASP C C 44 179.227 178.625 0.602 1
1 474 . 6 1 1 A 44 44 ASP CA C 44 57.507 57.178 0.329 1
1 475 . 6 1 1 A 44 44 ASP CB C 44 39.719 41.901 -2.182 1
1 476 . 6 1 1 A 44 44 ASP N N 44 122.950 118.152 4.798 1
1 477 . 6 1 1 A 45 45 TRP H H 45 8.831 8.774 0.057 1
1 478 . 6 1 1 A 45 45 TRP HA H 45 4.692 4.437 0.255 1
1 487 . 6 1 1 A 45 45 TRP C C 45 179.057 178.928 0.129 1
1 488 . 6 1 1 A 45 45 TRP CA C 45 58.008 59.708 -1.700 1
1 489 . 6 1 1 A 45 45 TRP CB C 45 29.520 28.993 0.527 1
1 495 . 6 1 1 A 45 45 TRP N N 45 122.321 120.043 2.278 1
1 497 . 6 1 1 A 46 46 TRP H H 46 8.921 8.270 0.651 1
1 498 . 6 1 1 A 46 46 TRP HA H 46 3.733 3.690 0.043 1
1 507 . 6 1 1 A 46 46 TRP C C 46 177.664 178.151 -0.487 1
1 508 . 6 1 1 A 46 46 TRP CA C 46 59.279 60.763 -1.484 1
1 509 . 6 1 1 A 46 46 TRP CB C 46 30.508 29.511 0.997 1
1 515 . 6 1 1 A 46 46 TRP N N 46 120.243 121.570 -1.327 1
1 517 . 6 1 1 A 47 47 ALA H H 47 7.918 9.309 -1.391 1
1 518 . 6 1 1 A 47 47 ALA HA H 47 3.918 4.105 -0.187 1
1 522 . 6 1 1 A 47 47 ALA C C 47 179.978 178.017 1.961 1
1 523 . 6 1 1 A 47 47 ALA CA C 47 55.011 55.028 -0.017 1
1 524 . 6 1 1 A 47 47 ALA CB C 47 18.581 18.637 -0.056 1
1 525 . 6 1 1 A 47 47 ALA N N 47 117.935 121.126 -3.191 1
1 526 . 6 1 1 A 48 48 VAL H H 48 7.106 7.258 -0.152 1
1 527 . 6 1 1 A 48 48 VAL HA H 48 4.378 4.400 -0.022 1
1 535 . 6 1 1 A 48 48 VAL C C 48 175.627 174.548 1.079 1
1 536 . 6 1 1 A 48 48 VAL CA C 48 60.641 60.407 0.234 1
1 537 . 6 1 1 A 48 48 VAL CB C 48 31.865 31.555 0.310 1
1 540 . 6 1 1 A 48 48 VAL N N 48 107.757 108.223 -0.466 1
1 541 . 6 1 1 A 49 49 LEU H H 49 7.008 7.625 -0.617 1
1 542 . 6 1 1 A 49 49 LEU HA H 49 3.948 5.117 -1.169 1
1 552 . 6 1 1 A 49 49 LEU C C 49 176.258 174.346 1.912 1
1 553 . 6 1 1 A 49 49 LEU CA C 49 55.032 53.288 1.744 1
1 554 . 6 1 1 A 49 49 LEU CB C 49 42.822 45.887 -3.065 1
1 558 . 6 1 1 A 49 49 LEU N N 49 125.594 124.536 1.058 1
1 559 . 6 1 1 A 50 50 ASP H H 50 8.485 8.769 -0.284 1
1 560 . 6 1 1 A 50 50 ASP HA H 50 4.643 4.831 -0.188 1
1 563 . 6 1 1 A 50 50 ASP CA C 50 52.855 52.283 0.572 1
1 564 . 6 1 1 A 50 50 ASP CB C 50 42.605 41.760 0.845 1
1 565 . 6 1 1 A 51 51 PRO HA H 51 4.025 4.237 -0.212 1
1 572 . 6 1 1 A 51 51 PRO C C 51 179.166 178.672 0.494 1
1 573 . 6 1 1 A 51 51 PRO CA C 51 65.861 65.502 0.359 1
1 574 . 6 1 1 A 51 51 PRO CB C 51 32.458 31.703 0.755 1
1 577 . 6 1 1 A 52 52 LYS H H 52 8.866 8.238 0.628 1
1 578 . 6 1 1 A 52 52 LYS HA H 52 4.165 4.008 0.157 1
1 585 . 6 1 1 A 52 52 LYS C C 52 179.542 179.282 0.260 1
1 586 . 6 1 1 A 52 52 LYS CA C 52 59.484 59.419 0.065 1
1 587 . 6 1 1 A 52 52 LYS CB C 52 31.906 32.317 -0.411 1
1 591 . 6 1 1 A 52 52 LYS N N 52 118.625 118.682 -0.057 1
1 592 . 6 1 1 A 53 53 GLU H H 53 7.727 8.232 -0.505 1
1 593 . 6 1 1 A 53 53 GLU HA H 53 4.343 4.029 0.314 1
1 598 . 6 1 1 A 53 53 GLU C C 53 179.335 179.597 -0.262 1
1 599 . 6 1 1 A 53 53 GLU CA C 53 58.355 59.441 -1.086 1
1 600 . 6 1 1 A 53 53 GLU CB C 53 29.726 29.306 0.420 1
1 602 . 6 1 1 A 53 53 GLU N N 53 120.460 118.992 1.468 1
1 603 . 6 1 1 A 54 54 LYS H H 54 8.194 7.559 0.635 1
1 604 . 6 1 1 A 54 54 LYS HA H 54 3.949 4.507 -0.558 1
1 613 . 6 1 1 A 54 54 LYS C C 54 179.566 179.019 0.547 1
1 614 . 6 1 1 A 54 54 LYS CA C 54 60.920 60.051 0.869 1
1 615 . 6 1 1 A 54 54 LYS CB C 54 32.481 32.137 0.344 1
1 619 . 6 1 1 A 54 54 LYS N N 54 118.859 118.844 0.015 1
1 620 . 6 1 1 A 55 55 GLN H H 55 7.965 9.065 -1.100 1
1 621 . 6 1 1 A 55 55 GLN HA H 55 4.025 4.106 -0.081 1
1 628 . 6 1 1 A 55 55 GLN C C 55 177.154 178.048 -0.894 1
1 629 . 6 1 1 A 55 55 GLN CA C 55 58.064 58.852 -0.788 1
1 630 . 6 1 1 A 55 55 GLN CB C 55 28.163 29.141 -0.978 1
1 632 . 6 1 1 A 55 55 GLN N N 55 117.922 119.706 -1.784 1
1 634 . 6 1 1 A 56 56 LYS H H 56 7.483 8.046 -0.563 1
1 635 . 6 1 1 A 56 56 LYS HA H 56 4.205 4.092 0.113 1
1 644 . 6 1 1 A 56 56 LYS C C 56 179.772 178.291 1.481 1
1 645 . 6 1 1 A 56 56 LYS CA C 56 59.671 59.270 0.401 1
1 646 . 6 1 1 A 56 56 LYS CB C 56 31.700 32.063 -0.363 1
1 650 . 6 1 1 A 56 56 LYS N N 56 118.491 118.720 -0.229 1
1 651 . 6 1 1 A 57 57 TYR H H 57 7.707 8.393 -0.686 1
1 652 . 6 1 1 A 57 57 TYR HA H 57 4.344 4.530 -0.186 1
1 659 . 6 1 1 A 57 57 TYR C C 57 177.966 178.535 -0.569 1
1 660 . 6 1 1 A 57 57 TYR CA C 57 62.784 60.009 2.775 1
1 661 . 6 1 1 A 57 57 TYR CB C 57 38.973 38.259 0.714 1
1 666 . 6 1 1 A 57 57 TYR N N 57 117.968 119.439 -1.471 1
1 667 . 6 1 1 A 58 58 THR H H 58 8.458 8.854 -0.396 1
1 668 . 6 1 1 A 58 58 THR HA H 58 4.074 4.009 0.065 1
1 673 . 6 1 1 A 58 58 THR C C 58 177.203 175.974 1.229 1
1 674 . 6 1 1 A 58 58 THR CA C 58 67.168 67.409 -0.241 1
1 675 . 6 1 1 A 58 58 THR CB C 58 68.401 68.490 -0.089 1
1 677 . 6 1 1 A 58 58 THR N N 58 118.700 115.636 3.064 1
1 678 . 6 1 1 A 59 59 ASP H H 59 8.807 8.486 0.321 1
1 679 . 6 1 1 A 59 59 ASP HA H 59 4.514 4.364 0.150 1
1 682 . 6 1 1 A 59 59 ASP C C 59 179.154 178.429 0.725 1
1 683 . 6 1 1 A 59 59 ASP CA C 59 57.754 57.787 -0.033 1
1 684 . 6 1 1 A 59 59 ASP CB C 59 39.801 41.129 -1.328 1
1 685 . 6 1 1 A 59 59 ASP N N 59 123.812 121.603 2.209 1
1 686 . 6 1 1 A 60 60 MET H H 60 8.085 8.631 -0.546 1
1 687 . 6 1 1 A 60 60 MET HA H 60 4.161 4.077 0.084 1
1 695 . 6 1 1 A 60 60 MET C C 60 178.378 178.111 0.267 1
1 696 . 6 1 1 A 60 60 MET CA C 60 58.980 59.475 -0.495 1
1 697 . 6 1 1 A 60 60 MET CB C 60 34.227 33.031 1.196 1
1 700 . 6 1 1 A 60 60 MET N N 60 120.481 118.206 2.275 1
1 701 . 6 1 1 A 61 61 ALA H H 61 8.296 8.590 -0.294 1
1 702 . 6 1 1 A 61 61 ALA HA H 61 4.114 4.206 -0.092 1
1 706 . 6 1 1 A 61 61 ALA C C 61 179.408 179.389 0.019 1
1 707 . 6 1 1 A 61 61 ALA CA C 61 54.935 55.531 -0.596 1
1 708 . 6 1 1 A 61 61 ALA CB C 61 17.759 18.484 -0.725 1
1 709 . 6 1 1 A 61 61 ALA N N 61 121.147 121.210 -0.063 1
1 710 . 6 1 1 A 62 62 LYS H H 62 7.812 8.643 -0.831 1
1 711 . 6 1 1 A 62 62 LYS HA H 62 4.177 4.082 0.095 1
1 720 . 6 1 1 A 62 62 LYS C C 62 177.979 178.838 -0.859 1
1 721 . 6 1 1 A 62 62 LYS CA C 62 59.289 59.408 -0.119 1
1 722 . 6 1 1 A 62 62 LYS CB C 62 32.539 32.220 0.319 1
1 726 . 6 1 1 A 62 62 LYS N N 62 119.686 118.136 1.550 1
1 727 . 6 1 1 A 63 63 GLU H H 63 7.810 7.953 -0.143 1
1 728 . 6 1 1 A 63 63 GLU HA H 63 4.216 4.078 0.138 1
1 733 . 6 1 1 A 63 63 GLU C C 63 178.597 178.673 -0.076 1
1 734 . 6 1 1 A 63 63 GLU CA C 63 58.386 58.804 -0.418 1
1 735 . 6 1 1 A 63 63 GLU CB C 63 29.644 29.833 -0.189 1
1 737 . 6 1 1 A 63 63 GLU N N 63 118.765 119.146 -0.381 1
1 738 . 6 1 1 A 64 64 TYR H H 64 8.098 8.740 -0.642 1
1 739 . 6 1 1 A 64 64 TYR HA H 64 4.395 4.251 0.144 1
1 746 . 6 1 1 A 64 64 TYR C C 64 177.639 178.300 -0.661 1
1 747 . 6 1 1 A 64 64 TYR CA C 64 60.006 61.564 -1.558 1
1 748 . 6 1 1 A 64 64 TYR CB C 64 38.198 38.048 0.150 1
1 753 . 6 1 1 A 64 64 TYR N N 64 119.914 119.771 0.143 1
1 754 . 6 1 1 A 65 65 LYS H H 65 8.225 9.562 -1.337 1
1 755 . 6 1 1 A 65 65 LYS HA H 65 4.146 4.098 0.048 1
1 764 . 6 1 1 A 65 65 LYS C C 65 177.481 178.040 -0.559 1
1 765 . 6 1 1 A 65 65 LYS CA C 65 58.793 60.029 -1.236 1
1 766 . 6 1 1 A 65 65 LYS CB C 65 32.523 32.165 0.358 1
1 770 . 6 1 1 A 65 65 LYS N N 65 122.842 121.511 1.331 1
1 771 . 6 1 1 A 66 66 ASP H H 66 8.402 8.003 0.399 1
1 772 . 6 1 1 A 66 66 ASP HA H 66 4.485 4.351 0.134 1
1 775 . 6 1 1 A 66 66 ASP C C 66 177.930 178.422 -0.492 1
1 776 . 6 1 1 A 66 66 ASP CA C 66 56.423 57.686 -1.263 1
1 777 . 6 1 1 A 66 66 ASP CB C 66 40.829 40.920 -0.091 1
1 778 . 6 1 1 A 66 66 ASP N N 66 120.424 119.441 0.983 1
1 779 . 6 1 1 A 67 67 ALA H H 67 7.989 7.957 0.032 1
1 780 . 6 1 1 A 67 67 ALA HA H 67 4.151 4.094 0.057 1
1 784 . 6 1 1 A 67 67 ALA C C 67 179.457 179.868 -0.411 1
1 785 . 6 1 1 A 67 67 ALA CA C 67 54.274 55.219 -0.945 1
1 786 . 6 1 1 A 67 67 ALA CB C 67 18.499 18.768 -0.269 1
1 787 . 6 1 1 A 67 67 ALA N N 67 122.273 121.817 0.456 1
1 788 . 6 1 1 A 68 68 PHE H H 68 8.235 8.459 -0.224 1
1 789 . 6 1 1 A 68 68 PHE HA H 68 4.314 3.999 0.315 1
1 796 . 6 1 1 A 68 68 PHE C C 68 177.421 175.589 1.832 1
1 797 . 6 1 1 A 68 68 PHE CA C 68 60.193 61.691 -1.498 1
1 798 . 6 1 1 A 68 68 PHE CB C 68 39.390 39.432 -0.042 1
1 803 . 6 1 1 A 68 68 PHE N N 68 119.632 119.676 -0.044 1
1 804 . 6 1 1 A 69 69 MET H H 69 8.325 8.299 0.026 1
1 805 . 6 1 1 A 69 69 MET HA H 69 4.296 4.269 0.027 1
1 813 . 6 1 1 A 69 69 MET C C 69 177.651 176.699 0.952 1
1 814 . 6 1 1 A 69 69 MET CA C 69 56.645 54.614 2.031 1
1 815 . 6 1 1 A 69 69 MET CB C 69 32.108 33.889 -1.781 1
1 818 . 6 1 1 A 69 69 MET N N 69 119.223 115.715 3.508 1
1 819 . 6 1 1 A 70 70 LYS H H 70 7.864 8.761 -0.897 1
1 820 . 6 1 1 A 70 70 LYS HA H 70 4.092 4.263 -0.171 1
1 829 . 6 1 1 A 70 70 LYS C C 70 177.009 177.295 -0.286 1
1 830 . 6 1 1 A 70 70 LYS CA C 70 57.769 58.327 -0.558 1
1 831 . 6 1 1 A 70 70 LYS CB C 70 32.687 32.382 0.305 1
1 835 . 6 1 1 A 70 70 LYS N N 70 120.004 120.430 -0.426 1
1 836 . 6 1 1 A 71 71 ALA H H 71 7.670 8.399 -0.729 1
1 837 . 6 1 1 A 71 71 ALA HA H 71 4.264 4.138 0.126 1
1 841 . 6 1 1 A 71 71 ALA C C 71 177.009 178.463 -1.454 1
1 842 . 6 1 1 A 71 71 ALA CA C 71 52.603 55.087 -2.484 1
1 843 . 6 1 1 A 71 71 ALA CB C 71 19.321 18.574 0.747 1
1 844 . 6 1 1 A 71 71 ALA N N 71 121.270 120.596 0.674 1
1 845 . 6 1 1 A 72 72 ASN H H 72 7.846 7.920 -0.074 1
1 846 . 6 1 1 A 72 72 ASN HA H 72 4.972 4.727 0.245 1
1 851 . 6 1 1 A 72 72 ASN C C 72 172.453 174.023 -1.570 1
1 852 . 6 1 1 A 72 72 ASN CA C 72 51.185 52.365 -1.180 1
1 853 . 6 1 1 A 72 72 ASN CB C 72 39.350 37.547 1.803 1
1 854 . 6 1 1 A 72 72 ASN N N 72 117.432 116.658 0.774 1
1 856 . 6 1 1 A 73 73 PRO HA H 73 4.465 4.445 0.020 1
1 863 . 6 1 1 A 73 73 PRO C C 73 177.857 177.661 0.196 1
1 864 . 6 1 1 A 73 73 PRO CA C 73 63.972 62.977 0.995 1
1 865 . 6 1 1 A 73 73 PRO CB C 73 31.884 29.682 2.202 1
1 868 . 6 1 1 A 74 74 GLY H H 74 8.538 8.568 -0.030 1
1 869 . 6 1 1 A 74 74 GLY HA2 H 74 3.881 3.931 -0.050 1
1 870 . 6 1 1 A 74 74 GLY HA3 H 74 3.957 3.931 0.026 1
1 871 . 6 1 1 A 74 74 GLY C C 74 174.210 173.810 0.400 1
1 872 . 6 1 1 A 74 74 GLY CA C 74 45.216 46.967 -1.751 1
1 873 . 6 1 1 A 74 74 GLY N N 74 108.444 112.962 -4.518 1
1 874 . 6 1 1 A 75 75 TYR H H 75 7.878 8.073 -0.195 1
1 875 . 6 1 1 A 75 75 TYR HA H 75 4.449 4.795 -0.346 1
1 882 . 6 1 1 A 75 75 TYR C C 75 175.640 175.261 0.379 1
1 883 . 6 1 1 A 75 75 TYR CA C 75 58.778 59.160 -0.382 1
1 884 . 6 1 1 A 75 75 TYR CB C 75 38.856 40.224 -1.368 1
1 889 . 6 1 1 A 75 75 TYR N N 75 120.970 123.356 -2.386 1
1 890 . 6 1 1 A 76 76 ARG H H 76 8.039 8.038 0.001 1
1 891 . 6 1 1 A 76 76 ARG HA H 76 4.346 4.184 0.162 1
1 898 . 6 1 1 A 76 76 ARG C C 76 175.482 175.408 0.074 1
1 899 . 6 1 1 A 76 76 ARG CA C 76 55.510 57.400 -1.890 1
1 900 . 6 1 1 A 76 76 ARG CB C 76 31.307 29.186 2.121 1
1 903 . 6 1 1 A 76 76 ARG N N 76 124.540 119.695 4.845 1
1 904 . 6 1 1 A 77 77 SER HA H 77 4.430 4.406 0.024 1
1 907 . 6 1 1 A 77 77 SER CA C 77 58.319 58.975 -0.656 1
1 908 . 6 1 1 A 77 77 SER CB C 77 63.982 64.120 -0.138 1
1 909 . 6 1 1 A 78 78 GLY HA2 H 78 4.154 4.331 -0.177 1
1 910 . 6 1 1 A 78 78 GLY HA3 H 78 4.154 4.354 -0.200 1
1 911 . 6 1 1 A 78 78 GLY CA C 78 44.731 45.804 -1.073 1
1 912 . 6 1 1 A 79 79 PRO HA H 79 4.495 4.509 -0.014 1
1 917 . 6 1 1 A 79 79 PRO CA C 79 63.366 62.780 0.586 1
1 918 . 6 1 1 A 79 79 PRO CB C 79 32.289 32.668 -0.379 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.967 4.147 -0.180 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.967 4.149 -0.182 1
1 3 . 7 1 1 A 7 7 GLY C C 7 173.907 173.938 -0.031 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.273 44.868 0.405 1
1 5 . 7 1 1 A 8 8 ALA H H 8 8.092 9.122 -1.030 1
1 6 . 7 1 1 A 8 8 ALA HA H 8 4.335 4.071 0.264 1
1 10 . 7 1 1 A 8 8 ALA C C 8 177.772 177.005 0.767 1
1 11 . 7 1 1 A 8 8 ALA CA C 8 52.468 54.850 -2.382 1
1 12 . 7 1 1 A 8 8 ALA CB C 8 19.404 18.293 1.111 1
1 13 . 7 1 1 A 8 8 ALA N N 8 123.589 122.149 1.440 1
1 14 . 7 1 1 A 9 9 ARG H H 9 8.298 8.790 -0.492 1
1 15 . 7 1 1 A 9 9 ARG HA H 9 4.348 3.884 0.464 1
1 22 . 7 1 1 A 9 9 ARG C C 9 175.894 174.796 1.098 1
1 23 . 7 1 1 A 9 9 ARG CA C 9 55.999 56.467 -0.468 1
1 24 . 7 1 1 A 9 9 ARG CB C 9 30.813 28.775 2.038 1
1 27 . 7 1 1 A 9 9 ARG N N 9 120.366 115.450 4.916 1
1 28 . 7 1 1 A 10 10 ARG H H 10 8.212 7.719 0.493 1
1 29 . 7 1 1 A 10 10 ARG HA H 10 4.468 4.172 0.296 1
1 36 . 7 1 1 A 10 10 ARG C C 10 173.810 175.627 -1.817 1
1 37 . 7 1 1 A 10 10 ARG CA C 10 53.783 55.281 -1.498 1
1 38 . 7 1 1 A 10 10 ARG CB C 10 30.384 30.101 0.283 1
1 41 . 7 1 1 A 10 10 ARG N N 10 122.690 119.890 2.800 1
1 42 . 7 1 1 A 11 11 PRO HA H 11 4.322 4.228 0.094 1
1 49 . 7 1 1 A 11 11 PRO C C 11 176.427 176.354 0.073 1
1 50 . 7 1 1 A 11 11 PRO CA C 11 62.905 62.146 0.759 1
1 51 . 7 1 1 A 11 11 PRO CB C 11 31.929 32.138 -0.209 1
1 54 . 7 1 1 A 12 12 MET H H 12 8.237 8.241 -0.004 1
1 55 . 7 1 1 A 12 12 MET HA H 12 4.441 4.496 -0.055 1
1 63 . 7 1 1 A 12 12 MET C C 12 175.094 176.137 -1.043 1
1 64 . 7 1 1 A 12 12 MET CA C 12 55.400 54.231 1.169 1
1 65 . 7 1 1 A 12 12 MET CB C 12 33.327 33.005 0.322 1
1 68 . 7 1 1 A 12 12 MET N N 12 120.543 118.942 1.601 1
1 69 . 7 1 1 A 13 13 ASN H H 13 7.399 8.896 -1.497 1
1 70 . 7 1 1 A 13 13 ASN HA H 13 4.650 5.056 -0.406 1
1 75 . 7 1 1 A 13 13 ASN C C 13 174.743 176.811 -2.068 1
1 76 . 7 1 1 A 13 13 ASN CA C 13 52.456 52.347 0.109 1
1 77 . 7 1 1 A 13 13 ASN CB C 13 39.513 39.938 -0.425 1
1 78 . 7 1 1 A 13 13 ASN N N 13 118.399 120.919 -2.520 1
1 80 . 7 1 1 A 14 14 ALA H H 14 8.681 8.787 -0.106 1
1 81 . 7 1 1 A 14 14 ALA HA H 14 3.964 4.186 -0.222 1
1 85 . 7 1 1 A 14 14 ALA C C 14 177.736 179.366 -1.630 1
1 86 . 7 1 1 A 14 14 ALA CA C 14 56.221 55.162 1.059 1
1 87 . 7 1 1 A 14 14 ALA CB C 14 19.568 18.249 1.319 1
1 88 . 7 1 1 A 14 14 ALA N N 14 122.169 122.560 -0.391 1
1 89 . 7 1 1 A 15 15 PHE H H 15 8.002 7.721 0.281 1
1 90 . 7 1 1 A 15 15 PHE HA H 15 2.866 2.592 0.274 1
1 98 . 7 1 1 A 15 15 PHE C C 15 177.821 176.656 1.165 1
1 99 . 7 1 1 A 15 15 PHE CA C 15 59.132 60.299 -1.167 1
1 100 . 7 1 1 A 15 15 PHE CB C 15 38.239 38.119 0.120 1
1 106 . 7 1 1 A 15 15 PHE N N 15 116.867 119.465 -2.598 1
1 107 . 7 1 1 A 16 16 LEU H H 16 8.264 8.329 -0.065 1
1 108 . 7 1 1 A 16 16 LEU HA H 16 3.642 3.373 0.269 1
1 118 . 7 1 1 A 16 16 LEU C C 16 180.354 179.449 0.905 1
1 119 . 7 1 1 A 16 16 LEU CA C 16 58.236 57.788 0.448 1
1 120 . 7 1 1 A 16 16 LEU CB C 16 41.365 41.493 -0.128 1
1 124 . 7 1 1 A 16 16 LEU N N 16 120.647 119.144 1.503 1
1 125 . 7 1 1 A 17 17 LEU H H 17 7.977 7.805 0.172 1
1 126 . 7 1 1 A 17 17 LEU HA H 17 4.065 3.827 0.238 1
1 136 . 7 1 1 A 17 17 LEU C C 17 178.984 179.100 -0.116 1
1 137 . 7 1 1 A 17 17 LEU CA C 17 58.165 58.192 -0.027 1
1 138 . 7 1 1 A 17 17 LEU CB C 17 41.693 42.317 -0.624 1
1 142 . 7 1 1 A 17 17 LEU N N 17 121.855 119.460 2.395 1
1 143 . 7 1 1 A 18 18 PHE H H 18 8.136 7.790 0.346 1
1 144 . 7 1 1 A 18 18 PHE HA H 18 3.769 4.192 -0.423 1
1 150 . 7 1 1 A 18 18 PHE C C 18 179.020 177.857 1.163 1
1 151 . 7 1 1 A 18 18 PHE CA C 18 62.333 61.840 0.493 1
1 152 . 7 1 1 A 18 18 PHE CB C 18 39.122 39.022 0.100 1
1 156 . 7 1 1 A 18 18 PHE N N 18 122.907 118.114 4.793 1
1 157 . 7 1 1 A 19 19 CYS H H 19 8.520 8.154 0.366 1
1 158 . 7 1 1 A 19 19 CYS HA H 19 3.728 4.267 -0.539 1
1 161 . 7 1 1 A 19 19 CYS C C 19 176.136 176.764 -0.628 1
1 162 . 7 1 1 A 19 19 CYS CA C 19 64.313 62.400 1.913 1
1 163 . 7 1 1 A 19 19 CYS CB C 19 26.577 26.524 0.053 1
1 164 . 7 1 1 A 19 19 CYS N N 19 119.069 117.819 1.250 1
1 165 . 7 1 1 A 20 20 LYS H H 20 7.969 7.634 0.335 1
1 166 . 7 1 1 A 20 20 LYS HA H 20 3.953 4.135 -0.182 1
1 175 . 7 1 1 A 20 20 LYS C C 20 179.133 177.565 1.568 1
1 176 . 7 1 1 A 20 20 LYS CA C 20 59.295 58.249 1.046 1
1 177 . 7 1 1 A 20 20 LYS CB C 20 32.111 32.152 -0.041 1
1 181 . 7 1 1 A 20 20 LYS N N 20 119.888 119.907 -0.019 1
1 182 . 7 1 1 A 21 21 ARG H H 21 7.493 7.767 -0.274 1
1 183 . 7 1 1 A 21 21 ARG HA H 21 4.166 4.287 -0.121 1
1 190 . 7 1 1 A 21 21 ARG C C 21 177.239 177.817 -0.578 1
1 191 . 7 1 1 A 21 21 ARG CA C 21 57.575 58.013 -0.438 1
1 192 . 7 1 1 A 21 21 ARG CB C 21 30.137 31.051 -0.914 1
1 195 . 7 1 1 A 21 21 ARG N N 21 116.105 118.726 -2.621 1
1 196 . 7 1 1 A 22 22 HIS H H 22 7.354 8.046 -0.692 1
1 197 . 7 1 1 A 22 22 HIS HA H 22 4.706 4.434 0.272 1
1 201 . 7 1 1 A 22 22 HIS C C 22 175.627 176.788 -1.161 1
1 202 . 7 1 1 A 22 22 HIS CA C 22 58.593 58.937 -0.344 1
1 203 . 7 1 1 A 22 22 HIS CB C 22 30.754 29.849 0.905 1
1 205 . 7 1 1 A 22 22 HIS N N 22 113.808 117.339 -3.531 1
1 206 . 7 1 1 A 23 23 ARG H H 23 8.372 8.092 0.280 1
1 207 . 7 1 1 A 23 23 ARG HA H 23 3.793 3.820 -0.027 1
1 214 . 7 1 1 A 23 23 ARG C C 23 177.930 178.004 -0.074 1
1 215 . 7 1 1 A 23 23 ARG CA C 23 60.747 59.607 1.140 1
1 216 . 7 1 1 A 23 23 ARG CB C 23 29.251 30.308 -1.057 1
1 219 . 7 1 1 A 23 23 ARG N N 23 123.560 120.775 2.785 1
1 220 . 7 1 1 A 24 24 SER HA H 24 4.163 4.160 0.003 1
1 223 . 7 1 1 A 24 24 SER CA C 24 61.523 61.505 0.018 1
1 224 . 7 1 1 A 24 24 SER CB C 24 62.116 62.465 -0.349 1
1 225 . 7 1 1 A 25 25 LEU H H 25 7.504 8.261 -0.757 1
1 226 . 7 1 1 A 25 25 LEU HA H 25 4.265 4.028 0.237 1
1 236 . 7 1 1 A 25 25 LEU C C 25 179.336 178.924 0.412 1
1 237 . 7 1 1 A 25 25 LEU CA C 25 57.837 58.522 -0.685 1
1 238 . 7 1 1 A 25 25 LEU CB C 25 41.470 42.090 -0.620 1
1 242 . 7 1 1 A 25 25 LEU N N 25 124.174 123.038 1.136 1
1 243 . 7 1 1 A 26 26 VAL H H 26 7.802 8.108 -0.306 1
1 244 . 7 1 1 A 26 26 VAL HA H 26 3.833 3.565 0.268 1
1 252 . 7 1 1 A 26 26 VAL C C 26 177.712 177.934 -0.222 1
1 253 . 7 1 1 A 26 26 VAL CA C 26 66.662 67.076 -0.414 1
1 254 . 7 1 1 A 26 26 VAL CB C 26 31.670 31.212 0.458 1
1 257 . 7 1 1 A 26 26 VAL N N 26 119.266 118.267 0.999 1
1 258 . 7 1 1 A 27 27 ARG H H 27 7.922 8.721 -0.799 1
1 259 . 7 1 1 A 27 27 ARG HA H 27 4.043 3.993 0.050 1
1 266 . 7 1 1 A 27 27 ARG C C 27 177.785 179.154 -1.369 1
1 267 . 7 1 1 A 27 27 ARG CA C 27 58.683 60.100 -1.417 1
1 268 . 7 1 1 A 27 27 ARG CB C 27 29.720 29.937 -0.217 1
1 271 . 7 1 1 A 27 27 ARG N N 27 118.035 119.236 -1.201 1
1 272 . 7 1 1 A 28 28 GLN H H 28 7.707 8.655 -0.948 1
1 273 . 7 1 1 A 28 28 GLN HA H 28 4.092 4.055 0.037 1
1 280 . 7 1 1 A 28 28 GLN C C 28 177.785 178.723 -0.938 1
1 281 . 7 1 1 A 28 28 GLN CA C 28 58.233 58.661 -0.428 1
1 282 . 7 1 1 A 28 28 GLN CB C 28 29.191 28.519 0.672 1
1 284 . 7 1 1 A 28 28 GLN N N 28 116.893 118.658 -1.765 1
1 286 . 7 1 1 A 29 29 GLU H H 29 7.864 8.345 -0.481 1
1 287 . 7 1 1 A 29 29 GLU HA H 29 4.131 3.982 0.149 1
1 292 . 7 1 1 A 29 29 GLU C C 29 176.246 176.232 0.014 1
1 293 . 7 1 1 A 29 29 GLU CA C 29 57.808 58.950 -1.142 1
1 294 . 7 1 1 A 29 29 GLU CB C 29 31.004 29.393 1.611 1
1 296 . 7 1 1 A 29 29 GLU N N 29 116.949 118.982 -2.033 1
1 297 . 7 1 1 A 30 30 HIS H H 30 8.058 8.863 -0.805 1
1 298 . 7 1 1 A 30 30 HIS HA H 30 5.071 5.113 -0.042 1
1 303 . 7 1 1 A 30 30 HIS C C 30 173.519 174.019 -0.500 1
1 304 . 7 1 1 A 30 30 HIS CA C 30 53.347 53.168 0.179 1
1 305 . 7 1 1 A 30 30 HIS CB C 30 30.649 29.793 0.856 1
1 308 . 7 1 1 A 30 30 HIS N N 30 116.711 117.128 -0.417 1
1 309 . 7 1 1 A 31 31 PRO HA H 31 4.648 4.488 0.160 1
1 316 . 7 1 1 A 31 31 PRO C C 31 178.197 179.147 -0.950 1
1 317 . 7 1 1 A 31 31 PRO CA C 31 64.911 65.042 -0.131 1
1 318 . 7 1 1 A 31 31 PRO CB C 31 32.458 32.124 0.334 1
1 321 . 7 1 1 A 32 32 ARG H H 32 8.617 8.404 0.213 1
1 322 . 7 1 1 A 32 32 ARG HA H 32 4.406 4.097 0.309 1
1 329 . 7 1 1 A 32 32 ARG C C 32 176.815 177.312 -0.497 1
1 330 . 7 1 1 A 32 32 ARG CA C 32 55.959 59.146 -3.187 1
1 331 . 7 1 1 A 32 32 ARG CB C 32 29.808 29.964 -0.156 1
1 334 . 7 1 1 A 32 32 ARG N N 32 116.125 118.017 -1.892 1
1 335 . 7 1 1 A 33 33 LEU H H 33 7.421 7.634 -0.213 1
1 336 . 7 1 1 A 33 33 LEU HA H 33 4.409 4.242 0.167 1
1 346 . 7 1 1 A 33 33 LEU C C 33 177.349 176.470 0.879 1
1 347 . 7 1 1 A 33 33 LEU CA C 33 55.140 55.459 -0.319 1
1 348 . 7 1 1 A 33 33 LEU CB C 33 43.420 42.426 0.994 1
1 352 . 7 1 1 A 33 33 LEU N N 33 120.576 121.535 -0.959 1
1 353 . 7 1 1 A 34 34 ASP H H 34 8.168 8.464 -0.296 1
1 354 . 7 1 1 A 34 34 ASP HA H 34 4.646 4.910 -0.264 1
1 357 . 7 1 1 A 34 34 ASP C C 34 175.821 177.157 -1.336 1
1 358 . 7 1 1 A 34 34 ASP CA C 34 52.415 53.095 -0.680 1
1 359 . 7 1 1 A 34 34 ASP CB C 34 41.177 43.056 -1.879 1
1 360 . 7 1 1 A 34 34 ASP N N 34 122.502 123.010 -0.508 1
1 361 . 7 1 1 A 35 35 ASN HA H 35 4.395 4.376 0.019 1
1 366 . 7 1 1 A 35 35 ASN CA C 35 57.033 55.965 1.068 1
1 367 . 7 1 1 A 35 35 ASN CB C 35 38.344 37.528 0.816 1
1 369 . 7 1 1 A 36 36 ARG HA H 36 4.096 3.997 0.099 1
1 376 . 7 1 1 A 36 36 ARG C C 36 179.554 178.692 0.862 1
1 377 . 7 1 1 A 36 36 ARG CA C 36 59.527 59.267 0.260 1
1 378 . 7 1 1 A 36 36 ARG CB C 36 29.626 29.663 -0.037 1
1 381 . 7 1 1 A 37 37 GLY H H 37 8.618 8.431 0.187 1
1 382 . 7 1 1 A 37 37 GLY HA2 H 37 3.888 3.796 0.092 1
1 383 . 7 1 1 A 37 37 GLY HA3 H 37 3.754 3.799 -0.045 1
1 384 . 7 1 1 A 37 37 GLY C C 37 176.597 175.849 0.748 1
1 385 . 7 1 1 A 37 37 GLY CA C 37 47.048 47.090 -0.042 1
1 386 . 7 1 1 A 37 37 GLY N N 37 110.017 107.656 2.361 1
1 387 . 7 1 1 A 38 38 ALA H H 38 8.619 8.497 0.122 1
1 388 . 7 1 1 A 38 38 ALA HA H 38 3.945 3.842 0.103 1
1 392 . 7 1 1 A 38 38 ALA C C 38 178.924 179.541 -0.617 1
1 393 . 7 1 1 A 38 38 ALA CA C 38 55.123 54.675 0.448 1
1 394 . 7 1 1 A 38 38 ALA CB C 38 18.046 18.233 -0.187 1
1 395 . 7 1 1 A 38 38 ALA N N 38 124.889 124.185 0.704 1
1 396 . 7 1 1 A 39 39 THR H H 39 8.239 7.805 0.434 1
1 397 . 7 1 1 A 39 39 THR HA H 39 3.895 3.782 0.113 1
1 402 . 7 1 1 A 39 39 THR C C 39 175.252 176.270 -1.018 1
1 403 . 7 1 1 A 39 39 THR CA C 39 66.889 67.212 -0.323 1
1 404 . 7 1 1 A 39 39 THR CB C 39 68.607 68.679 -0.072 1
1 406 . 7 1 1 A 39 39 THR N N 39 114.810 114.577 0.233 1
1 407 . 7 1 1 A 40 40 LYS H H 40 7.518 7.836 -0.318 1
1 408 . 7 1 1 A 40 40 LYS HA H 40 4.098 3.944 0.154 1
1 417 . 7 1 1 A 40 40 LYS C C 40 178.330 179.167 -0.837 1
1 418 . 7 1 1 A 40 40 LYS CA C 40 59.746 59.660 0.086 1
1 419 . 7 1 1 A 40 40 LYS CB C 40 32.106 32.359 -0.253 1
1 423 . 7 1 1 A 40 40 LYS N N 40 122.046 119.841 2.205 1
1 424 . 7 1 1 A 41 41 ILE H H 41 7.218 7.686 -0.468 1
1 425 . 7 1 1 A 41 41 ILE HA H 41 3.722 3.489 0.233 1
1 435 . 7 1 1 A 41 41 ILE C C 41 178.197 177.761 0.436 1
1 436 . 7 1 1 A 41 41 ILE CA C 41 64.055 65.646 -1.591 1
1 437 . 7 1 1 A 41 41 ILE CB C 41 36.482 37.653 -1.171 1
1 441 . 7 1 1 A 41 41 ILE N N 41 119.019 120.523 -1.504 1
1 442 . 7 1 1 A 42 42 LEU H H 42 7.940 8.199 -0.259 1
1 443 . 7 1 1 A 42 42 LEU HA H 42 3.988 3.674 0.314 1
1 453 . 7 1 1 A 42 42 LEU C C 42 179.251 178.822 0.429 1
1 454 . 7 1 1 A 42 42 LEU CA C 42 58.605 57.873 0.732 1
1 455 . 7 1 1 A 42 42 LEU CB C 42 41.694 41.285 0.409 1
1 459 . 7 1 1 A 42 42 LEU N N 42 119.163 118.755 0.408 1
1 460 . 7 1 1 A 43 43 ALA H H 43 8.732 9.032 -0.300 1
1 461 . 7 1 1 A 43 43 ALA HA H 43 4.222 4.312 -0.090 1
1 465 . 7 1 1 A 43 43 ALA C C 43 180.899 179.677 1.222 1
1 466 . 7 1 1 A 43 43 ALA CA C 43 55.699 55.668 0.031 1
1 467 . 7 1 1 A 43 43 ALA CB C 43 17.859 18.639 -0.780 1
1 468 . 7 1 1 A 43 43 ALA N N 43 122.225 121.500 0.725 1
1 469 . 7 1 1 A 44 44 ASP H H 44 8.350 8.205 0.145 1
1 470 . 7 1 1 A 44 44 ASP HA H 44 4.545 4.364 0.181 1
1 473 . 7 1 1 A 44 44 ASP C C 44 179.227 178.612 0.615 1
1 474 . 7 1 1 A 44 44 ASP CA C 44 57.507 57.537 -0.030 1
1 475 . 7 1 1 A 44 44 ASP CB C 44 39.719 40.971 -1.252 1
1 476 . 7 1 1 A 44 44 ASP N N 44 122.950 118.222 4.728 1
1 477 . 7 1 1 A 45 45 TRP H H 45 8.831 8.698 0.133 1
1 478 . 7 1 1 A 45 45 TRP HA H 45 4.692 4.407 0.285 1
1 487 . 7 1 1 A 45 45 TRP C C 45 179.057 178.927 0.130 1
1 488 . 7 1 1 A 45 45 TRP CA C 45 58.008 60.031 -2.023 1
1 489 . 7 1 1 A 45 45 TRP CB C 45 29.520 29.569 -0.049 1
1 495 . 7 1 1 A 45 45 TRP N N 45 122.321 119.951 2.370 1
1 497 . 7 1 1 A 46 46 TRP H H 46 8.921 8.173 0.748 1
1 498 . 7 1 1 A 46 46 TRP HA H 46 3.733 3.477 0.256 1
1 507 . 7 1 1 A 46 46 TRP C C 46 177.664 177.870 -0.206 1
1 508 . 7 1 1 A 46 46 TRP CA C 46 59.279 60.551 -1.272 1
1 509 . 7 1 1 A 46 46 TRP CB C 46 30.508 29.341 1.167 1
1 515 . 7 1 1 A 46 46 TRP N N 46 120.243 121.383 -1.140 1
1 517 . 7 1 1 A 47 47 ALA H H 47 7.918 9.365 -1.447 1
1 518 . 7 1 1 A 47 47 ALA HA H 47 3.918 4.028 -0.110 1
1 522 . 7 1 1 A 47 47 ALA C C 47 179.978 178.085 1.893 1
1 523 . 7 1 1 A 47 47 ALA CA C 47 55.011 55.020 -0.009 1
1 524 . 7 1 1 A 47 47 ALA CB C 47 18.581 18.636 -0.055 1
1 525 . 7 1 1 A 47 47 ALA N N 47 117.935 120.823 -2.888 1
1 526 . 7 1 1 A 48 48 VAL H H 48 7.106 7.419 -0.313 1
1 527 . 7 1 1 A 48 48 VAL HA H 48 4.378 4.434 -0.056 1
1 535 . 7 1 1 A 48 48 VAL C C 48 175.627 174.552 1.075 1
1 536 . 7 1 1 A 48 48 VAL CA C 48 60.641 60.306 0.335 1
1 537 . 7 1 1 A 48 48 VAL CB C 48 31.865 31.488 0.377 1
1 540 . 7 1 1 A 48 48 VAL N N 48 107.757 108.030 -0.273 1
1 541 . 7 1 1 A 49 49 LEU H H 49 7.008 7.465 -0.457 1
1 542 . 7 1 1 A 49 49 LEU HA H 49 3.948 5.194 -1.246 1
1 552 . 7 1 1 A 49 49 LEU C C 49 176.258 174.369 1.889 1
1 553 . 7 1 1 A 49 49 LEU CA C 49 55.032 53.241 1.791 1
1 554 . 7 1 1 A 49 49 LEU CB C 49 42.822 45.462 -2.640 1
1 558 . 7 1 1 A 49 49 LEU N N 49 125.594 124.558 1.036 1
1 559 . 7 1 1 A 50 50 ASP H H 50 8.485 8.703 -0.218 1
1 560 . 7 1 1 A 50 50 ASP HA H 50 4.643 4.804 -0.161 1
1 563 . 7 1 1 A 50 50 ASP CA C 50 52.855 52.620 0.235 1
1 564 . 7 1 1 A 50 50 ASP CB C 50 42.605 40.944 1.661 1
1 565 . 7 1 1 A 51 51 PRO HA H 51 4.025 4.245 -0.220 1
1 572 . 7 1 1 A 51 51 PRO C C 51 179.166 178.826 0.340 1
1 573 . 7 1 1 A 51 51 PRO CA C 51 65.861 65.606 0.255 1
1 574 . 7 1 1 A 51 51 PRO CB C 51 32.458 31.584 0.874 1
1 577 . 7 1 1 A 52 52 LYS H H 52 8.866 8.192 0.674 1
1 578 . 7 1 1 A 52 52 LYS HA H 52 4.165 4.028 0.137 1
1 585 . 7 1 1 A 52 52 LYS C C 52 179.542 179.092 0.450 1
1 586 . 7 1 1 A 52 52 LYS CA C 52 59.484 59.433 0.051 1
1 587 . 7 1 1 A 52 52 LYS CB C 52 31.906 32.289 -0.383 1
1 591 . 7 1 1 A 52 52 LYS N N 52 118.625 118.790 -0.165 1
1 592 . 7 1 1 A 53 53 GLU H H 53 7.727 8.383 -0.656 1
1 593 . 7 1 1 A 53 53 GLU HA H 53 4.343 4.074 0.269 1
1 598 . 7 1 1 A 53 53 GLU C C 53 179.335 179.363 -0.028 1
1 599 . 7 1 1 A 53 53 GLU CA C 53 58.355 59.507 -1.152 1
1 600 . 7 1 1 A 53 53 GLU CB C 53 29.726 29.408 0.318 1
1 602 . 7 1 1 A 53 53 GLU N N 53 120.460 119.116 1.344 1
1 603 . 7 1 1 A 54 54 LYS H H 54 8.194 7.679 0.515 1
1 604 . 7 1 1 A 54 54 LYS HA H 54 3.949 4.541 -0.592 1
1 613 . 7 1 1 A 54 54 LYS C C 54 179.566 179.011 0.555 1
1 614 . 7 1 1 A 54 54 LYS CA C 54 60.920 60.085 0.835 1
1 615 . 7 1 1 A 54 54 LYS CB C 54 32.481 32.281 0.200 1
1 619 . 7 1 1 A 54 54 LYS N N 54 118.859 118.280 0.579 1
1 620 . 7 1 1 A 55 55 GLN H H 55 7.965 8.895 -0.930 1
1 621 . 7 1 1 A 55 55 GLN HA H 55 4.025 4.119 -0.094 1
1 628 . 7 1 1 A 55 55 GLN C C 55 177.154 178.174 -1.020 1
1 629 . 7 1 1 A 55 55 GLN CA C 55 58.064 58.839 -0.775 1
1 630 . 7 1 1 A 55 55 GLN CB C 55 28.163 28.963 -0.800 1
1 632 . 7 1 1 A 55 55 GLN N N 55 117.922 119.748 -1.826 1
1 634 . 7 1 1 A 56 56 LYS H H 56 7.483 8.102 -0.619 1
1 635 . 7 1 1 A 56 56 LYS HA H 56 4.205 4.101 0.104 1
1 644 . 7 1 1 A 56 56 LYS C C 56 179.772 178.225 1.547 1
1 645 . 7 1 1 A 56 56 LYS CA C 56 59.671 59.031 0.640 1
1 646 . 7 1 1 A 56 56 LYS CB C 56 31.700 31.994 -0.294 1
1 650 . 7 1 1 A 56 56 LYS N N 56 118.491 118.477 0.014 1
1 651 . 7 1 1 A 57 57 TYR H H 57 7.707 8.270 -0.563 1
1 652 . 7 1 1 A 57 57 TYR HA H 57 4.344 4.475 -0.131 1
1 659 . 7 1 1 A 57 57 TYR C C 57 177.966 178.694 -0.728 1
1 660 . 7 1 1 A 57 57 TYR CA C 57 62.784 60.321 2.463 1
1 661 . 7 1 1 A 57 57 TYR CB C 57 38.973 37.879 1.094 1
1 666 . 7 1 1 A 57 57 TYR N N 57 117.968 119.437 -1.469 1
1 667 . 7 1 1 A 58 58 THR H H 58 8.458 9.094 -0.636 1
1 668 . 7 1 1 A 58 58 THR HA H 58 4.074 4.182 -0.108 1
1 673 . 7 1 1 A 58 58 THR C C 58 177.203 176.347 0.856 1
1 674 . 7 1 1 A 58 58 THR CA C 58 67.168 66.347 0.821 1
1 675 . 7 1 1 A 58 58 THR CB C 58 68.401 68.522 -0.121 1
1 677 . 7 1 1 A 58 58 THR N N 58 118.700 115.645 3.055 1
1 678 . 7 1 1 A 59 59 ASP H H 59 8.807 8.243 0.564 1
1 679 . 7 1 1 A 59 59 ASP HA H 59 4.514 4.408 0.106 1
1 682 . 7 1 1 A 59 59 ASP C C 59 179.154 178.563 0.591 1
1 683 . 7 1 1 A 59 59 ASP CA C 59 57.754 57.172 0.582 1
1 684 . 7 1 1 A 59 59 ASP CB C 59 39.801 41.029 -1.228 1
1 685 . 7 1 1 A 59 59 ASP N N 59 123.812 120.907 2.905 1
1 686 . 7 1 1 A 60 60 MET H H 60 8.085 8.397 -0.312 1
1 687 . 7 1 1 A 60 60 MET HA H 60 4.161 4.147 0.014 1
1 695 . 7 1 1 A 60 60 MET C C 60 178.378 178.660 -0.282 1
1 696 . 7 1 1 A 60 60 MET CA C 60 58.980 58.766 0.214 1
1 697 . 7 1 1 A 60 60 MET CB C 60 34.227 32.474 1.753 1
1 700 . 7 1 1 A 60 60 MET N N 60 120.481 118.079 2.402 1
1 701 . 7 1 1 A 61 61 ALA H H 61 8.296 8.221 0.075 1
1 702 . 7 1 1 A 61 61 ALA HA H 61 4.114 4.247 -0.133 1
1 706 . 7 1 1 A 61 61 ALA C C 61 179.408 179.222 0.186 1
1 707 . 7 1 1 A 61 61 ALA CA C 61 54.935 55.576 -0.641 1
1 708 . 7 1 1 A 61 61 ALA CB C 61 17.759 18.233 -0.474 1
1 709 . 7 1 1 A 61 61 ALA N N 61 121.147 121.085 0.062 1
1 710 . 7 1 1 A 62 62 LYS H H 62 7.812 8.138 -0.326 1
1 711 . 7 1 1 A 62 62 LYS HA H 62 4.177 3.969 0.208 1
1 720 . 7 1 1 A 62 62 LYS C C 62 177.979 179.218 -1.239 1
1 721 . 7 1 1 A 62 62 LYS CA C 62 59.289 59.766 -0.477 1
1 722 . 7 1 1 A 62 62 LYS CB C 62 32.539 32.237 0.302 1
1 726 . 7 1 1 A 62 62 LYS N N 62 119.686 118.347 1.339 1
1 727 . 7 1 1 A 63 63 GLU H H 63 7.810 8.369 -0.559 1
1 728 . 7 1 1 A 63 63 GLU HA H 63 4.216 4.035 0.181 1
1 733 . 7 1 1 A 63 63 GLU C C 63 178.597 179.101 -0.504 1
1 734 . 7 1 1 A 63 63 GLU CA C 63 58.386 59.040 -0.654 1
1 735 . 7 1 1 A 63 63 GLU CB C 63 29.644 29.404 0.240 1
1 737 . 7 1 1 A 63 63 GLU N N 63 118.765 118.584 0.181 1
1 738 . 7 1 1 A 64 64 TYR H H 64 8.098 8.337 -0.239 1
1 739 . 7 1 1 A 64 64 TYR HA H 64 4.395 4.276 0.119 1
1 746 . 7 1 1 A 64 64 TYR C C 64 177.639 178.228 -0.589 1
1 747 . 7 1 1 A 64 64 TYR CA C 64 60.006 61.664 -1.658 1
1 748 . 7 1 1 A 64 64 TYR CB C 64 38.198 38.273 -0.075 1
1 753 . 7 1 1 A 64 64 TYR N N 64 119.914 119.734 0.180 1
1 754 . 7 1 1 A 65 65 LYS H H 65 8.225 9.460 -1.235 1
1 755 . 7 1 1 A 65 65 LYS HA H 65 4.146 3.991 0.155 1
1 764 . 7 1 1 A 65 65 LYS C C 65 177.481 177.973 -0.492 1
1 765 . 7 1 1 A 65 65 LYS CA C 65 58.793 59.887 -1.094 1
1 766 . 7 1 1 A 65 65 LYS CB C 65 32.523 32.291 0.232 1
1 770 . 7 1 1 A 65 65 LYS N N 65 122.842 120.770 2.072 1
1 771 . 7 1 1 A 66 66 ASP H H 66 8.402 8.292 0.110 1
1 772 . 7 1 1 A 66 66 ASP HA H 66 4.485 4.405 0.080 1
1 775 . 7 1 1 A 66 66 ASP C C 66 177.930 178.571 -0.641 1
1 776 . 7 1 1 A 66 66 ASP CA C 66 56.423 57.657 -1.234 1
1 777 . 7 1 1 A 66 66 ASP CB C 66 40.829 41.134 -0.305 1
1 778 . 7 1 1 A 66 66 ASP N N 66 120.424 119.308 1.116 1
1 779 . 7 1 1 A 67 67 ALA H H 67 7.989 8.267 -0.278 1
1 780 . 7 1 1 A 67 67 ALA HA H 67 4.151 4.110 0.041 1
1 784 . 7 1 1 A 67 67 ALA C C 67 179.457 179.768 -0.311 1
1 785 . 7 1 1 A 67 67 ALA CA C 67 54.274 55.053 -0.779 1
1 786 . 7 1 1 A 67 67 ALA CB C 67 18.499 18.706 -0.207 1
1 787 . 7 1 1 A 67 67 ALA N N 67 122.273 121.791 0.482 1
1 788 . 7 1 1 A 68 68 PHE H H 68 8.235 8.689 -0.454 1
1 789 . 7 1 1 A 68 68 PHE HA H 68 4.314 4.000 0.314 1
1 796 . 7 1 1 A 68 68 PHE C C 68 177.421 176.903 0.518 1
1 797 . 7 1 1 A 68 68 PHE CA C 68 60.193 61.619 -1.426 1
1 798 . 7 1 1 A 68 68 PHE CB C 68 39.390 39.423 -0.033 1
1 803 . 7 1 1 A 68 68 PHE N N 68 119.632 119.712 -0.080 1
1 804 . 7 1 1 A 69 69 MET H H 69 8.325 8.886 -0.561 1
1 805 . 7 1 1 A 69 69 MET HA H 69 4.296 3.569 0.727 1
1 813 . 7 1 1 A 69 69 MET C C 69 177.651 178.429 -0.778 1
1 814 . 7 1 1 A 69 69 MET CA C 69 56.645 59.140 -2.495 1
1 815 . 7 1 1 A 69 69 MET CB C 69 32.108 32.266 -0.158 1
1 818 . 7 1 1 A 69 69 MET N N 69 119.223 116.860 2.363 1
1 819 . 7 1 1 A 70 70 LYS H H 70 7.864 8.139 -0.275 1
1 820 . 7 1 1 A 70 70 LYS HA H 70 4.092 4.009 0.083 1
1 829 . 7 1 1 A 70 70 LYS C C 70 177.009 178.444 -1.435 1
1 830 . 7 1 1 A 70 70 LYS CA C 70 57.769 59.564 -1.795 1
1 831 . 7 1 1 A 70 70 LYS CB C 70 32.687 32.605 0.082 1
1 835 . 7 1 1 A 70 70 LYS N N 70 120.004 120.307 -0.303 1
1 836 . 7 1 1 A 71 71 ALA H H 71 7.670 7.964 -0.294 1
1 837 . 7 1 1 A 71 71 ALA HA H 71 4.264 4.036 0.228 1
1 841 . 7 1 1 A 71 71 ALA C C 71 177.009 178.467 -1.458 1
1 842 . 7 1 1 A 71 71 ALA CA C 71 52.603 55.111 -2.508 1
1 843 . 7 1 1 A 71 71 ALA CB C 71 19.321 18.445 0.876 1
1 844 . 7 1 1 A 71 71 ALA N N 71 121.270 120.352 0.918 1
1 845 . 7 1 1 A 72 72 ASN H H 72 7.846 7.362 0.484 1
1 846 . 7 1 1 A 72 72 ASN HA H 72 4.972 4.629 0.343 1
1 851 . 7 1 1 A 72 72 ASN C C 72 172.453 174.328 -1.875 1
1 852 . 7 1 1 A 72 72 ASN CA C 72 51.185 51.451 -0.266 1
1 853 . 7 1 1 A 72 72 ASN CB C 72 39.350 38.493 0.857 1
1 854 . 7 1 1 A 72 72 ASN N N 72 117.432 115.364 2.068 1
1 856 . 7 1 1 A 73 73 PRO HA H 73 4.465 4.658 -0.193 1
1 863 . 7 1 1 A 73 73 PRO C C 73 177.857 176.530 1.327 1
1 864 . 7 1 1 A 73 73 PRO CA C 73 63.972 62.415 1.557 1
1 865 . 7 1 1 A 73 73 PRO CB C 73 31.884 29.485 2.399 1
1 868 . 7 1 1 A 74 74 GLY H H 74 8.538 7.929 0.609 1
1 869 . 7 1 1 A 74 74 GLY HA2 H 74 3.881 4.176 -0.295 1
1 870 . 7 1 1 A 74 74 GLY HA3 H 74 3.957 4.178 -0.221 1
1 871 . 7 1 1 A 74 74 GLY C C 74 174.210 172.522 1.688 1
1 872 . 7 1 1 A 74 74 GLY CA C 74 45.216 45.359 -0.143 1
1 873 . 7 1 1 A 74 74 GLY N N 74 108.444 111.908 -3.464 1
1 874 . 7 1 1 A 75 75 TYR H H 75 7.878 7.963 -0.085 1
1 875 . 7 1 1 A 75 75 TYR HA H 75 4.449 5.038 -0.589 1
1 882 . 7 1 1 A 75 75 TYR C C 75 175.640 174.177 1.463 1
1 883 . 7 1 1 A 75 75 TYR CA C 75 58.778 58.307 0.471 1
1 884 . 7 1 1 A 75 75 TYR CB C 75 38.856 41.365 -2.509 1
1 889 . 7 1 1 A 75 75 TYR N N 75 120.970 120.077 0.893 1
1 890 . 7 1 1 A 76 76 ARG H H 76 8.039 8.134 -0.095 1
1 891 . 7 1 1 A 76 76 ARG HA H 76 4.346 4.179 0.167 1
1 898 . 7 1 1 A 76 76 ARG C C 76 175.482 175.450 0.032 1
1 899 . 7 1 1 A 76 76 ARG CA C 76 55.510 56.012 -0.502 1
1 900 . 7 1 1 A 76 76 ARG CB C 76 31.307 32.744 -1.437 1
1 903 . 7 1 1 A 76 76 ARG N N 76 124.540 124.609 -0.069 1
1 904 . 7 1 1 A 77 77 SER HA H 77 4.430 4.007 0.423 1
1 907 . 7 1 1 A 77 77 SER CA C 77 58.319 58.871 -0.552 1
1 908 . 7 1 1 A 77 77 SER CB C 77 63.982 61.648 2.334 1
1 909 . 7 1 1 A 78 78 GLY HA2 H 78 4.154 4.442 -0.288 1
1 910 . 7 1 1 A 78 78 GLY HA3 H 78 4.154 4.447 -0.293 1
1 911 . 7 1 1 A 78 78 GLY CA C 78 44.731 46.251 -1.520 1
1 912 . 7 1 1 A 79 79 PRO HA H 79 4.495 4.485 0.010 1
1 917 . 7 1 1 A 79 79 PRO CA C 79 63.366 63.018 0.348 1
1 918 . 7 1 1 A 79 79 PRO CB C 79 32.289 30.599 1.690 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.967 4.041 -0.074 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.967 4.045 -0.078 1
1 3 . 8 1 1 A 7 7 GLY C C 7 173.907 174.114 -0.207 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.273 45.136 0.137 1
1 5 . 8 1 1 A 8 8 ALA H H 8 8.092 8.286 -0.194 1
1 6 . 8 1 1 A 8 8 ALA HA H 8 4.335 4.571 -0.236 1
1 10 . 8 1 1 A 8 8 ALA C C 8 177.772 177.796 -0.024 1
1 11 . 8 1 1 A 8 8 ALA CA C 8 52.468 52.905 -0.437 1
1 12 . 8 1 1 A 8 8 ALA CB C 8 19.404 20.234 -0.830 1
1 13 . 8 1 1 A 8 8 ALA N N 8 123.589 124.473 -0.884 1
1 14 . 8 1 1 A 9 9 ARG H H 9 8.298 8.166 0.132 1
1 15 . 8 1 1 A 9 9 ARG HA H 9 4.348 4.359 -0.011 1
1 22 . 8 1 1 A 9 9 ARG C C 9 175.894 176.045 -0.151 1
1 23 . 8 1 1 A 9 9 ARG CA C 9 55.999 56.829 -0.830 1
1 24 . 8 1 1 A 9 9 ARG CB C 9 30.813 31.814 -1.001 1
1 27 . 8 1 1 A 9 9 ARG N N 9 120.366 115.129 5.237 1
1 28 . 8 1 1 A 10 10 ARG H H 10 8.212 7.408 0.804 1
1 29 . 8 1 1 A 10 10 ARG HA H 10 4.468 4.492 -0.024 1
1 36 . 8 1 1 A 10 10 ARG C C 10 173.810 175.789 -1.979 1
1 37 . 8 1 1 A 10 10 ARG CA C 10 53.783 55.403 -1.620 1
1 38 . 8 1 1 A 10 10 ARG CB C 10 30.384 30.329 0.055 1
1 41 . 8 1 1 A 10 10 ARG N N 10 122.690 117.995 4.695 1
1 42 . 8 1 1 A 11 11 PRO HA H 11 4.322 4.380 -0.058 1
1 49 . 8 1 1 A 11 11 PRO C C 11 176.427 176.347 0.080 1
1 50 . 8 1 1 A 11 11 PRO CA C 11 62.905 62.163 0.742 1
1 51 . 8 1 1 A 11 11 PRO CB C 11 31.929 32.597 -0.668 1
1 54 . 8 1 1 A 12 12 MET H H 12 8.237 8.274 -0.037 1
1 55 . 8 1 1 A 12 12 MET HA H 12 4.441 4.532 -0.091 1
1 63 . 8 1 1 A 12 12 MET C C 12 175.094 176.143 -1.049 1
1 64 . 8 1 1 A 12 12 MET CA C 12 55.400 54.270 1.130 1
1 65 . 8 1 1 A 12 12 MET CB C 12 33.327 33.192 0.135 1
1 68 . 8 1 1 A 12 12 MET N N 12 120.543 119.147 1.396 1
1 69 . 8 1 1 A 13 13 ASN H H 13 7.399 8.878 -1.479 1
1 70 . 8 1 1 A 13 13 ASN HA H 13 4.650 5.023 -0.373 1
1 75 . 8 1 1 A 13 13 ASN C C 13 174.743 176.796 -2.053 1
1 76 . 8 1 1 A 13 13 ASN CA C 13 52.456 51.924 0.532 1
1 77 . 8 1 1 A 13 13 ASN CB C 13 39.513 40.466 -0.953 1
1 78 . 8 1 1 A 13 13 ASN N N 13 118.399 120.756 -2.357 1
1 80 . 8 1 1 A 14 14 ALA H H 14 8.681 8.807 -0.126 1
1 81 . 8 1 1 A 14 14 ALA HA H 14 3.964 4.214 -0.250 1
1 85 . 8 1 1 A 14 14 ALA C C 14 177.736 179.387 -1.651 1
1 86 . 8 1 1 A 14 14 ALA CA C 14 56.221 55.065 1.156 1
1 87 . 8 1 1 A 14 14 ALA CB C 14 19.568 18.579 0.989 1
1 88 . 8 1 1 A 14 14 ALA N N 14 122.169 122.268 -0.099 1
1 89 . 8 1 1 A 15 15 PHE H H 15 8.002 8.019 -0.017 1
1 90 . 8 1 1 A 15 15 PHE HA H 15 2.866 2.144 0.722 1
1 98 . 8 1 1 A 15 15 PHE C C 15 177.821 176.361 1.460 1
1 99 . 8 1 1 A 15 15 PHE CA C 15 59.132 60.517 -1.385 1
1 100 . 8 1 1 A 15 15 PHE CB C 15 38.239 38.353 -0.114 1
1 106 . 8 1 1 A 15 15 PHE N N 15 116.867 119.175 -2.308 1
1 107 . 8 1 1 A 16 16 LEU H H 16 8.264 8.033 0.231 1
1 108 . 8 1 1 A 16 16 LEU HA H 16 3.642 3.263 0.379 1
1 118 . 8 1 1 A 16 16 LEU C C 16 180.354 179.282 1.072 1
1 119 . 8 1 1 A 16 16 LEU CA C 16 58.236 57.453 0.783 1
1 120 . 8 1 1 A 16 16 LEU CB C 16 41.365 40.976 0.389 1
1 124 . 8 1 1 A 16 16 LEU N N 16 120.647 119.569 1.078 1
1 125 . 8 1 1 A 17 17 LEU H H 17 7.977 7.877 0.100 1
1 126 . 8 1 1 A 17 17 LEU HA H 17 4.065 3.838 0.227 1
1 136 . 8 1 1 A 17 17 LEU C C 17 178.984 179.006 -0.022 1
1 137 . 8 1 1 A 17 17 LEU CA C 17 58.165 58.052 0.113 1
1 138 . 8 1 1 A 17 17 LEU CB C 17 41.693 42.391 -0.698 1
1 142 . 8 1 1 A 17 17 LEU N N 17 121.855 119.226 2.629 1
1 143 . 8 1 1 A 18 18 PHE H H 18 8.136 7.783 0.353 1
1 144 . 8 1 1 A 18 18 PHE HA H 18 3.769 4.356 -0.587 1
1 150 . 8 1 1 A 18 18 PHE C C 18 179.020 178.014 1.006 1
1 151 . 8 1 1 A 18 18 PHE CA C 18 62.333 61.919 0.414 1
1 152 . 8 1 1 A 18 18 PHE CB C 18 39.122 39.107 0.015 1
1 156 . 8 1 1 A 18 18 PHE N N 18 122.907 118.189 4.718 1
1 157 . 8 1 1 A 19 19 CYS H H 19 8.520 8.074 0.446 1
1 158 . 8 1 1 A 19 19 CYS HA H 19 3.728 4.138 -0.410 1
1 161 . 8 1 1 A 19 19 CYS C C 19 176.136 177.214 -1.078 1
1 162 . 8 1 1 A 19 19 CYS CA C 19 64.313 63.743 0.570 1
1 163 . 8 1 1 A 19 19 CYS CB C 19 26.577 27.159 -0.582 1
1 164 . 8 1 1 A 19 19 CYS N N 19 119.069 116.611 2.458 1
1 165 . 8 1 1 A 20 20 LYS H H 20 7.969 7.860 0.109 1
1 166 . 8 1 1 A 20 20 LYS HA H 20 3.953 3.994 -0.041 1
1 175 . 8 1 1 A 20 20 LYS C C 20 179.133 178.484 0.649 1
1 176 . 8 1 1 A 20 20 LYS CA C 20 59.295 59.013 0.282 1
1 177 . 8 1 1 A 20 20 LYS CB C 20 32.111 32.208 -0.097 1
1 181 . 8 1 1 A 20 20 LYS N N 20 119.888 120.182 -0.294 1
1 182 . 8 1 1 A 21 21 ARG H H 21 7.493 7.793 -0.300 1
1 183 . 8 1 1 A 21 21 ARG HA H 21 4.166 4.257 -0.091 1
1 190 . 8 1 1 A 21 21 ARG C C 21 177.239 178.020 -0.781 1
1 191 . 8 1 1 A 21 21 ARG CA C 21 57.575 58.241 -0.666 1
1 192 . 8 1 1 A 21 21 ARG CB C 21 30.137 31.064 -0.927 1
1 195 . 8 1 1 A 21 21 ARG N N 21 116.105 118.761 -2.656 1
1 196 . 8 1 1 A 22 22 HIS H H 22 7.354 8.935 -1.581 1
1 197 . 8 1 1 A 22 22 HIS HA H 22 4.706 4.383 0.323 1
1 201 . 8 1 1 A 22 22 HIS C C 22 175.627 177.005 -1.378 1
1 202 . 8 1 1 A 22 22 HIS CA C 22 58.593 59.699 -1.106 1
1 203 . 8 1 1 A 22 22 HIS CB C 22 30.754 28.441 2.313 1
1 205 . 8 1 1 A 22 22 HIS N N 22 113.808 118.043 -4.235 1
1 206 . 8 1 1 A 23 23 ARG H H 23 8.372 8.178 0.194 1
1 207 . 8 1 1 A 23 23 ARG HA H 23 3.793 3.893 -0.100 1
1 214 . 8 1 1 A 23 23 ARG C C 23 177.930 178.718 -0.788 1
1 215 . 8 1 1 A 23 23 ARG CA C 23 60.747 59.601 1.146 1
1 216 . 8 1 1 A 23 23 ARG CB C 23 29.251 30.370 -1.119 1
1 219 . 8 1 1 A 23 23 ARG N N 23 123.560 121.018 2.542 1
1 220 . 8 1 1 A 24 24 SER HA H 24 4.163 4.160 0.003 1
1 223 . 8 1 1 A 24 24 SER CA C 24 61.523 62.180 -0.657 1
1 224 . 8 1 1 A 24 24 SER CB C 24 62.116 62.988 -0.872 1
1 225 . 8 1 1 A 25 25 LEU H H 25 7.504 8.238 -0.734 1
1 226 . 8 1 1 A 25 25 LEU HA H 25 4.265 4.021 0.244 1
1 236 . 8 1 1 A 25 25 LEU C C 25 179.336 178.732 0.604 1
1 237 . 8 1 1 A 25 25 LEU CA C 25 57.837 58.623 -0.786 1
1 238 . 8 1 1 A 25 25 LEU CB C 25 41.470 42.171 -0.701 1
1 242 . 8 1 1 A 25 25 LEU N N 25 124.174 122.972 1.202 1
1 243 . 8 1 1 A 26 26 VAL H H 26 7.802 8.152 -0.350 1
1 244 . 8 1 1 A 26 26 VAL HA H 26 3.833 3.460 0.373 1
1 252 . 8 1 1 A 26 26 VAL C C 26 177.712 177.849 -0.137 1
1 253 . 8 1 1 A 26 26 VAL CA C 26 66.662 67.164 -0.502 1
1 254 . 8 1 1 A 26 26 VAL CB C 26 31.670 31.372 0.298 1
1 257 . 8 1 1 A 26 26 VAL N N 26 119.266 119.026 0.240 1
1 258 . 8 1 1 A 27 27 ARG H H 27 7.922 8.708 -0.786 1
1 259 . 8 1 1 A 27 27 ARG HA H 27 4.043 3.988 0.055 1
1 266 . 8 1 1 A 27 27 ARG C C 27 177.785 179.081 -1.296 1
1 267 . 8 1 1 A 27 27 ARG CA C 27 58.683 60.236 -1.553 1
1 268 . 8 1 1 A 27 27 ARG CB C 27 29.720 29.994 -0.274 1
1 271 . 8 1 1 A 27 27 ARG N N 27 118.035 119.303 -1.268 1
1 272 . 8 1 1 A 28 28 GLN H H 28 7.707 8.593 -0.886 1
1 273 . 8 1 1 A 28 28 GLN HA H 28 4.092 4.095 -0.003 1
1 280 . 8 1 1 A 28 28 GLN C C 28 177.785 178.797 -1.012 1
1 281 . 8 1 1 A 28 28 GLN CA C 28 58.233 58.751 -0.518 1
1 282 . 8 1 1 A 28 28 GLN CB C 28 29.191 28.451 0.740 1
1 284 . 8 1 1 A 28 28 GLN N N 28 116.893 118.727 -1.834 1
1 286 . 8 1 1 A 29 29 GLU H H 29 7.864 8.496 -0.632 1
1 287 . 8 1 1 A 29 29 GLU HA H 29 4.131 3.987 0.144 1
1 292 . 8 1 1 A 29 29 GLU C C 29 176.246 176.094 0.152 1
1 293 . 8 1 1 A 29 29 GLU CA C 29 57.808 58.928 -1.120 1
1 294 . 8 1 1 A 29 29 GLU CB C 29 31.004 29.648 1.356 1
1 296 . 8 1 1 A 29 29 GLU N N 29 116.949 118.757 -1.808 1
1 297 . 8 1 1 A 30 30 HIS H H 30 8.058 8.563 -0.505 1
1 298 . 8 1 1 A 30 30 HIS HA H 30 5.071 5.086 -0.015 1
1 303 . 8 1 1 A 30 30 HIS C C 30 173.519 173.972 -0.453 1
1 304 . 8 1 1 A 30 30 HIS CA C 30 53.347 53.242 0.105 1
1 305 . 8 1 1 A 30 30 HIS CB C 30 30.649 29.762 0.887 1
1 308 . 8 1 1 A 30 30 HIS N N 30 116.711 117.228 -0.517 1
1 309 . 8 1 1 A 31 31 PRO HA H 31 4.648 4.446 0.202 1
1 316 . 8 1 1 A 31 31 PRO C C 31 178.197 179.256 -1.059 1
1 317 . 8 1 1 A 31 31 PRO CA C 31 64.911 65.561 -0.650 1
1 318 . 8 1 1 A 31 31 PRO CB C 31 32.458 31.823 0.635 1
1 321 . 8 1 1 A 32 32 ARG H H 32 8.617 8.722 -0.105 1
1 322 . 8 1 1 A 32 32 ARG HA H 32 4.406 4.115 0.291 1
1 329 . 8 1 1 A 32 32 ARG C C 32 176.815 177.322 -0.507 1
1 330 . 8 1 1 A 32 32 ARG CA C 32 55.959 58.646 -2.687 1
1 331 . 8 1 1 A 32 32 ARG CB C 32 29.808 29.841 -0.033 1
1 334 . 8 1 1 A 32 32 ARG N N 32 116.125 118.361 -2.236 1
1 335 . 8 1 1 A 33 33 LEU H H 33 7.421 7.643 -0.222 1
1 336 . 8 1 1 A 33 33 LEU HA H 33 4.409 4.204 0.205 1
1 346 . 8 1 1 A 33 33 LEU C C 33 177.349 176.174 1.175 1
1 347 . 8 1 1 A 33 33 LEU CA C 33 55.140 55.414 -0.274 1
1 348 . 8 1 1 A 33 33 LEU CB C 33 43.420 42.513 0.907 1
1 352 . 8 1 1 A 33 33 LEU N N 33 120.576 120.814 -0.238 1
1 353 . 8 1 1 A 34 34 ASP H H 34 8.168 9.006 -0.838 1
1 354 . 8 1 1 A 34 34 ASP HA H 34 4.646 4.641 0.005 1
1 357 . 8 1 1 A 34 34 ASP C C 34 175.821 176.814 -0.993 1
1 358 . 8 1 1 A 34 34 ASP CA C 34 52.415 55.832 -3.417 1
1 359 . 8 1 1 A 34 34 ASP CB C 34 41.177 40.682 0.495 1
1 360 . 8 1 1 A 34 34 ASP N N 34 122.502 122.617 -0.115 1
1 361 . 8 1 1 A 35 35 ASN HA H 35 4.395 5.019 -0.624 1
1 366 . 8 1 1 A 35 35 ASN CA C 35 57.033 54.646 2.387 1
1 367 . 8 1 1 A 35 35 ASN CB C 35 38.344 40.118 -1.774 1
1 369 . 8 1 1 A 36 36 ARG HA H 36 4.096 4.064 0.032 1
1 376 . 8 1 1 A 36 36 ARG C C 36 179.554 179.669 -0.115 1
1 377 . 8 1 1 A 36 36 ARG CA C 36 59.527 59.165 0.362 1
1 378 . 8 1 1 A 36 36 ARG CB C 36 29.626 30.018 -0.392 1
1 381 . 8 1 1 A 37 37 GLY H H 37 8.618 8.494 0.124 1
1 382 . 8 1 1 A 37 37 GLY HA2 H 37 3.888 3.830 0.058 1
1 383 . 8 1 1 A 37 37 GLY HA3 H 37 3.754 3.835 -0.081 1
1 384 . 8 1 1 A 37 37 GLY C C 37 176.597 175.927 0.670 1
1 385 . 8 1 1 A 37 37 GLY CA C 37 47.048 47.028 0.020 1
1 386 . 8 1 1 A 37 37 GLY N N 37 110.017 108.414 1.603 1
1 387 . 8 1 1 A 38 38 ALA H H 38 8.619 7.997 0.622 1
1 388 . 8 1 1 A 38 38 ALA HA H 38 3.945 3.916 0.029 1
1 392 . 8 1 1 A 38 38 ALA C C 38 178.924 179.777 -0.853 1
1 393 . 8 1 1 A 38 38 ALA CA C 38 55.123 54.567 0.556 1
1 394 . 8 1 1 A 38 38 ALA CB C 38 18.046 18.397 -0.351 1
1 395 . 8 1 1 A 38 38 ALA N N 38 124.889 124.194 0.695 1
1 396 . 8 1 1 A 39 39 THR H H 39 8.239 8.244 -0.005 1
1 397 . 8 1 1 A 39 39 THR HA H 39 3.895 3.952 -0.057 1
1 402 . 8 1 1 A 39 39 THR C C 39 175.252 176.651 -1.399 1
1 403 . 8 1 1 A 39 39 THR CA C 39 66.889 65.757 1.132 1
1 404 . 8 1 1 A 39 39 THR CB C 39 68.607 68.522 0.085 1
1 406 . 8 1 1 A 39 39 THR N N 39 114.810 114.161 0.649 1
1 407 . 8 1 1 A 40 40 LYS H H 40 7.518 8.145 -0.627 1
1 408 . 8 1 1 A 40 40 LYS HA H 40 4.098 4.140 -0.042 1
1 417 . 8 1 1 A 40 40 LYS C C 40 178.330 179.343 -1.013 1
1 418 . 8 1 1 A 40 40 LYS CA C 40 59.746 59.006 0.740 1
1 419 . 8 1 1 A 40 40 LYS CB C 40 32.106 31.848 0.258 1
1 423 . 8 1 1 A 40 40 LYS N N 40 122.046 120.623 1.423 1
1 424 . 8 1 1 A 41 41 ILE H H 41 7.218 7.817 -0.599 1
1 425 . 8 1 1 A 41 41 ILE HA H 41 3.722 3.588 0.134 1
1 435 . 8 1 1 A 41 41 ILE C C 41 178.197 177.813 0.384 1
1 436 . 8 1 1 A 41 41 ILE CA C 41 64.055 64.952 -0.897 1
1 437 . 8 1 1 A 41 41 ILE CB C 41 36.482 37.550 -1.068 1
1 441 . 8 1 1 A 41 41 ILE N N 41 119.019 120.899 -1.880 1
1 442 . 8 1 1 A 42 42 LEU H H 42 7.940 8.310 -0.370 1
1 443 . 8 1 1 A 42 42 LEU HA H 42 3.988 3.784 0.204 1
1 453 . 8 1 1 A 42 42 LEU C C 42 179.251 179.270 -0.019 1
1 454 . 8 1 1 A 42 42 LEU CA C 42 58.605 58.276 0.329 1
1 455 . 8 1 1 A 42 42 LEU CB C 42 41.694 41.627 0.067 1
1 459 . 8 1 1 A 42 42 LEU N N 42 119.163 119.841 -0.678 1
1 460 . 8 1 1 A 43 43 ALA H H 43 8.732 8.126 0.606 1
1 461 . 8 1 1 A 43 43 ALA HA H 43 4.222 4.258 -0.036 1
1 465 . 8 1 1 A 43 43 ALA C C 43 180.899 179.167 1.732 1
1 466 . 8 1 1 A 43 43 ALA CA C 43 55.699 55.726 -0.027 1
1 467 . 8 1 1 A 43 43 ALA CB C 43 17.859 18.615 -0.756 1
1 468 . 8 1 1 A 43 43 ALA N N 43 122.225 121.048 1.177 1
1 469 . 8 1 1 A 44 44 ASP H H 44 8.350 7.866 0.484 1
1 470 . 8 1 1 A 44 44 ASP HA H 44 4.545 4.373 0.172 1
1 473 . 8 1 1 A 44 44 ASP C C 44 179.227 178.552 0.675 1
1 474 . 8 1 1 A 44 44 ASP CA C 44 57.507 57.535 -0.028 1
1 475 . 8 1 1 A 44 44 ASP CB C 44 39.719 41.030 -1.311 1
1 476 . 8 1 1 A 44 44 ASP N N 44 122.950 118.173 4.777 1
1 477 . 8 1 1 A 45 45 TRP H H 45 8.831 8.520 0.311 1
1 478 . 8 1 1 A 45 45 TRP HA H 45 4.692 4.394 0.298 1
1 487 . 8 1 1 A 45 45 TRP C C 45 179.057 178.783 0.274 1
1 488 . 8 1 1 A 45 45 TRP CA C 45 58.008 59.768 -1.760 1
1 489 . 8 1 1 A 45 45 TRP CB C 45 29.520 29.800 -0.280 1
1 495 . 8 1 1 A 45 45 TRP N N 45 122.321 119.526 2.795 1
1 497 . 8 1 1 A 46 46 TRP H H 46 8.921 8.717 0.204 1
1 498 . 8 1 1 A 46 46 TRP HA H 46 3.733 3.549 0.184 1
1 507 . 8 1 1 A 46 46 TRP C C 46 177.664 177.641 0.023 1
1 508 . 8 1 1 A 46 46 TRP CA C 46 59.279 60.987 -1.708 1
1 509 . 8 1 1 A 46 46 TRP CB C 46 30.508 29.023 1.485 1
1 515 . 8 1 1 A 46 46 TRP N N 46 120.243 120.693 -0.450 1
1 517 . 8 1 1 A 47 47 ALA H H 47 7.918 9.409 -1.491 1
1 518 . 8 1 1 A 47 47 ALA HA H 47 3.918 4.012 -0.094 1
1 522 . 8 1 1 A 47 47 ALA C C 47 179.978 178.087 1.891 1
1 523 . 8 1 1 A 47 47 ALA CA C 47 55.011 54.998 0.013 1
1 524 . 8 1 1 A 47 47 ALA CB C 47 18.581 18.526 0.055 1
1 525 . 8 1 1 A 47 47 ALA N N 47 117.935 120.805 -2.870 1
1 526 . 8 1 1 A 48 48 VAL H H 48 7.106 7.303 -0.197 1
1 527 . 8 1 1 A 48 48 VAL HA H 48 4.378 4.397 -0.019 1
1 535 . 8 1 1 A 48 48 VAL C C 48 175.627 174.566 1.061 1
1 536 . 8 1 1 A 48 48 VAL CA C 48 60.641 60.411 0.230 1
1 537 . 8 1 1 A 48 48 VAL CB C 48 31.865 31.485 0.380 1
1 540 . 8 1 1 A 48 48 VAL N N 48 107.757 108.365 -0.608 1
1 541 . 8 1 1 A 49 49 LEU H H 49 7.008 7.548 -0.540 1
1 542 . 8 1 1 A 49 49 LEU HA H 49 3.948 5.145 -1.197 1
1 552 . 8 1 1 A 49 49 LEU C C 49 176.258 174.050 2.208 1
1 553 . 8 1 1 A 49 49 LEU CA C 49 55.032 53.274 1.758 1
1 554 . 8 1 1 A 49 49 LEU CB C 49 42.822 46.061 -3.239 1
1 558 . 8 1 1 A 49 49 LEU N N 49 125.594 124.535 1.059 1
1 559 . 8 1 1 A 50 50 ASP H H 50 8.485 8.774 -0.289 1
1 560 . 8 1 1 A 50 50 ASP HA H 50 4.643 4.795 -0.152 1
1 563 . 8 1 1 A 50 50 ASP CA C 50 52.855 52.431 0.424 1
1 564 . 8 1 1 A 50 50 ASP CB C 50 42.605 40.815 1.790 1
1 565 . 8 1 1 A 51 51 PRO HA H 51 4.025 4.230 -0.205 1
1 572 . 8 1 1 A 51 51 PRO C C 51 179.166 178.982 0.184 1
1 573 . 8 1 1 A 51 51 PRO CA C 51 65.861 65.504 0.357 1
1 574 . 8 1 1 A 51 51 PRO CB C 51 32.458 31.615 0.843 1
1 577 . 8 1 1 A 52 52 LYS H H 52 8.866 8.311 0.555 1
1 578 . 8 1 1 A 52 52 LYS HA H 52 4.165 4.006 0.159 1
1 585 . 8 1 1 A 52 52 LYS C C 52 179.542 179.400 0.142 1
1 586 . 8 1 1 A 52 52 LYS CA C 52 59.484 59.807 -0.323 1
1 587 . 8 1 1 A 52 52 LYS CB C 52 31.906 32.331 -0.425 1
1 591 . 8 1 1 A 52 52 LYS N N 52 118.625 118.098 0.527 1
1 592 . 8 1 1 A 53 53 GLU H H 53 7.727 8.432 -0.705 1
1 593 . 8 1 1 A 53 53 GLU HA H 53 4.343 4.071 0.272 1
1 598 . 8 1 1 A 53 53 GLU C C 53 179.335 179.700 -0.365 1
1 599 . 8 1 1 A 53 53 GLU CA C 53 58.355 59.452 -1.097 1
1 600 . 8 1 1 A 53 53 GLU CB C 53 29.726 29.294 0.432 1
1 602 . 8 1 1 A 53 53 GLU N N 53 120.460 119.860 0.600 1
1 603 . 8 1 1 A 54 54 LYS H H 54 8.194 7.631 0.563 1
1 604 . 8 1 1 A 54 54 LYS HA H 54 3.949 4.466 -0.517 1
1 613 . 8 1 1 A 54 54 LYS C C 54 179.566 178.835 0.731 1
1 614 . 8 1 1 A 54 54 LYS CA C 54 60.920 59.545 1.375 1
1 615 . 8 1 1 A 54 54 LYS CB C 54 32.481 32.169 0.312 1
1 619 . 8 1 1 A 54 54 LYS N N 54 118.859 118.636 0.223 1
1 620 . 8 1 1 A 55 55 GLN H H 55 7.965 8.647 -0.682 1
1 621 . 8 1 1 A 55 55 GLN HA H 55 4.025 4.126 -0.101 1
1 628 . 8 1 1 A 55 55 GLN C C 55 177.154 178.395 -1.241 1
1 629 . 8 1 1 A 55 55 GLN CA C 55 58.064 58.958 -0.894 1
1 630 . 8 1 1 A 55 55 GLN CB C 55 28.163 28.672 -0.509 1
1 632 . 8 1 1 A 55 55 GLN N N 55 117.922 119.792 -1.870 1
1 634 . 8 1 1 A 56 56 LYS H H 56 7.483 8.237 -0.754 1
1 635 . 8 1 1 A 56 56 LYS HA H 56 4.205 4.125 0.080 1
1 644 . 8 1 1 A 56 56 LYS C C 56 179.772 178.155 1.617 1
1 645 . 8 1 1 A 56 56 LYS CA C 56 59.671 58.896 0.775 1
1 646 . 8 1 1 A 56 56 LYS CB C 56 31.700 31.776 -0.076 1
1 650 . 8 1 1 A 56 56 LYS N N 56 118.491 118.728 -0.237 1
1 651 . 8 1 1 A 57 57 TYR H H 57 7.707 7.879 -0.172 1
1 652 . 8 1 1 A 57 57 TYR HA H 57 4.344 4.540 -0.196 1
1 659 . 8 1 1 A 57 57 TYR C C 57 177.966 178.524 -0.558 1
1 660 . 8 1 1 A 57 57 TYR CA C 57 62.784 61.187 1.597 1
1 661 . 8 1 1 A 57 57 TYR CB C 57 38.973 39.141 -0.168 1
1 666 . 8 1 1 A 57 57 TYR N N 57 117.968 119.445 -1.477 1
1 667 . 8 1 1 A 58 58 THR H H 58 8.458 8.892 -0.434 1
1 668 . 8 1 1 A 58 58 THR HA H 58 4.074 4.180 -0.106 1
1 673 . 8 1 1 A 58 58 THR C C 58 177.203 176.194 1.009 1
1 674 . 8 1 1 A 58 58 THR CA C 58 67.168 66.345 0.823 1
1 675 . 8 1 1 A 58 58 THR CB C 58 68.401 68.425 -0.024 1
1 677 . 8 1 1 A 58 58 THR N N 58 118.700 115.708 2.992 1
1 678 . 8 1 1 A 59 59 ASP H H 59 8.807 8.398 0.409 1
1 679 . 8 1 1 A 59 59 ASP HA H 59 4.514 4.407 0.107 1
1 682 . 8 1 1 A 59 59 ASP C C 59 179.154 178.679 0.475 1
1 683 . 8 1 1 A 59 59 ASP CA C 59 57.754 57.409 0.345 1
1 684 . 8 1 1 A 59 59 ASP CB C 59 39.801 41.102 -1.301 1
1 685 . 8 1 1 A 59 59 ASP N N 59 123.812 121.047 2.765 1
1 686 . 8 1 1 A 60 60 MET H H 60 8.085 8.013 0.072 1
1 687 . 8 1 1 A 60 60 MET HA H 60 4.161 4.179 -0.018 1
1 695 . 8 1 1 A 60 60 MET C C 60 178.378 178.415 -0.037 1
1 696 . 8 1 1 A 60 60 MET CA C 60 58.980 59.121 -0.141 1
1 697 . 8 1 1 A 60 60 MET CB C 60 34.227 32.213 2.014 1
1 700 . 8 1 1 A 60 60 MET N N 60 120.481 118.163 2.318 1
1 701 . 8 1 1 A 61 61 ALA H H 61 8.296 8.181 0.115 1
1 702 . 8 1 1 A 61 61 ALA HA H 61 4.114 4.255 -0.141 1
1 706 . 8 1 1 A 61 61 ALA C C 61 179.408 179.113 0.295 1
1 707 . 8 1 1 A 61 61 ALA CA C 61 54.935 55.601 -0.666 1
1 708 . 8 1 1 A 61 61 ALA CB C 61 17.759 18.208 -0.449 1
1 709 . 8 1 1 A 61 61 ALA N N 61 121.147 120.821 0.326 1
1 710 . 8 1 1 A 62 62 LYS H H 62 7.812 8.055 -0.243 1
1 711 . 8 1 1 A 62 62 LYS HA H 62 4.177 4.019 0.158 1
1 720 . 8 1 1 A 62 62 LYS C C 62 177.979 179.125 -1.146 1
1 721 . 8 1 1 A 62 62 LYS CA C 62 59.289 59.943 -0.654 1
1 722 . 8 1 1 A 62 62 LYS CB C 62 32.539 32.639 -0.100 1
1 726 . 8 1 1 A 62 62 LYS N N 62 119.686 118.445 1.241 1
1 727 . 8 1 1 A 63 63 GLU H H 63 7.810 8.517 -0.707 1
1 728 . 8 1 1 A 63 63 GLU HA H 63 4.216 4.088 0.128 1
1 733 . 8 1 1 A 63 63 GLU C C 63 178.597 179.288 -0.691 1
1 734 . 8 1 1 A 63 63 GLU CA C 63 58.386 58.945 -0.559 1
1 735 . 8 1 1 A 63 63 GLU CB C 63 29.644 29.584 0.060 1
1 737 . 8 1 1 A 63 63 GLU N N 63 118.765 117.686 1.079 1
1 738 . 8 1 1 A 64 64 TYR H H 64 8.098 8.454 -0.356 1
1 739 . 8 1 1 A 64 64 TYR HA H 64 4.395 4.237 0.158 1
1 746 . 8 1 1 A 64 64 TYR C C 64 177.639 178.264 -0.625 1
1 747 . 8 1 1 A 64 64 TYR CA C 64 60.006 61.622 -1.616 1
1 748 . 8 1 1 A 64 64 TYR CB C 64 38.198 38.000 0.198 1
1 753 . 8 1 1 A 64 64 TYR N N 64 119.914 119.828 0.086 1
1 754 . 8 1 1 A 65 65 LYS H H 65 8.225 9.299 -1.074 1
1 755 . 8 1 1 A 65 65 LYS HA H 65 4.146 4.035 0.111 1
1 764 . 8 1 1 A 65 65 LYS C C 65 177.481 178.103 -0.622 1
1 765 . 8 1 1 A 65 65 LYS CA C 65 58.793 59.901 -1.108 1
1 766 . 8 1 1 A 65 65 LYS CB C 65 32.523 32.241 0.282 1
1 770 . 8 1 1 A 65 65 LYS N N 65 122.842 121.470 1.372 1
1 771 . 8 1 1 A 66 66 ASP H H 66 8.402 8.265 0.137 1
1 772 . 8 1 1 A 66 66 ASP HA H 66 4.485 4.447 0.038 1
1 775 . 8 1 1 A 66 66 ASP C C 66 177.930 178.120 -0.190 1
1 776 . 8 1 1 A 66 66 ASP CA C 66 56.423 57.895 -1.472 1
1 777 . 8 1 1 A 66 66 ASP CB C 66 40.829 41.102 -0.273 1
1 778 . 8 1 1 A 66 66 ASP N N 66 120.424 119.336 1.088 1
1 779 . 8 1 1 A 67 67 ALA H H 67 7.989 8.352 -0.363 1
1 780 . 8 1 1 A 67 67 ALA HA H 67 4.151 4.098 0.053 1
1 784 . 8 1 1 A 67 67 ALA C C 67 179.457 179.782 -0.325 1
1 785 . 8 1 1 A 67 67 ALA CA C 67 54.274 55.182 -0.908 1
1 786 . 8 1 1 A 67 67 ALA CB C 67 18.499 18.768 -0.269 1
1 787 . 8 1 1 A 67 67 ALA N N 67 122.273 121.232 1.041 1
1 788 . 8 1 1 A 68 68 PHE H H 68 8.235 8.654 -0.419 1
1 789 . 8 1 1 A 68 68 PHE HA H 68 4.314 4.016 0.298 1
1 796 . 8 1 1 A 68 68 PHE C C 68 177.421 176.400 1.021 1
1 797 . 8 1 1 A 68 68 PHE CA C 68 60.193 61.728 -1.535 1
1 798 . 8 1 1 A 68 68 PHE CB C 68 39.390 39.444 -0.054 1
1 803 . 8 1 1 A 68 68 PHE N N 68 119.632 119.422 0.210 1
1 804 . 8 1 1 A 69 69 MET H H 69 8.325 8.311 0.014 1
1 805 . 8 1 1 A 69 69 MET HA H 69 4.296 3.810 0.486 1
1 813 . 8 1 1 A 69 69 MET C C 69 177.651 175.481 2.170 1
1 814 . 8 1 1 A 69 69 MET CA C 69 56.645 55.111 1.534 1
1 815 . 8 1 1 A 69 69 MET CB C 69 32.108 32.349 -0.241 1
1 818 . 8 1 1 A 69 69 MET N N 69 119.223 115.987 3.236 1
1 819 . 8 1 1 A 70 70 LYS H H 70 7.864 8.519 -0.655 1
1 820 . 8 1 1 A 70 70 LYS HA H 70 4.092 4.282 -0.190 1
1 829 . 8 1 1 A 70 70 LYS C C 70 177.009 176.223 0.786 1
1 830 . 8 1 1 A 70 70 LYS CA C 70 57.769 57.491 0.278 1
1 831 . 8 1 1 A 70 70 LYS CB C 70 32.687 35.044 -2.357 1
1 835 . 8 1 1 A 70 70 LYS N N 70 120.004 126.879 -6.875 1
1 836 . 8 1 1 A 71 71 ALA H H 71 7.670 7.730 -0.060 1
1 837 . 8 1 1 A 71 71 ALA HA H 71 4.264 4.331 -0.067 1
1 841 . 8 1 1 A 71 71 ALA C C 71 177.009 175.410 1.599 1
1 842 . 8 1 1 A 71 71 ALA CA C 71 52.603 51.313 1.290 1
1 843 . 8 1 1 A 71 71 ALA CB C 71 19.321 17.498 1.823 1
1 844 . 8 1 1 A 71 71 ALA N N 71 121.270 120.652 0.618 1
1 845 . 8 1 1 A 72 72 ASN H H 72 7.846 7.628 0.218 1
1 846 . 8 1 1 A 72 72 ASN HA H 72 4.972 5.123 -0.151 1
1 851 . 8 1 1 A 72 72 ASN C C 72 172.453 174.675 -2.222 1
1 852 . 8 1 1 A 72 72 ASN CA C 72 51.185 49.305 1.880 1
1 853 . 8 1 1 A 72 72 ASN CB C 72 39.350 40.306 -0.956 1
1 854 . 8 1 1 A 72 72 ASN N N 72 117.432 118.251 -0.819 1
1 856 . 8 1 1 A 73 73 PRO HA H 73 4.465 4.366 0.099 1
1 863 . 8 1 1 A 73 73 PRO C C 73 177.857 178.095 -0.238 1
1 864 . 8 1 1 A 73 73 PRO CA C 73 63.972 65.436 -1.464 1
1 865 . 8 1 1 A 73 73 PRO CB C 73 31.884 32.036 -0.152 1
1 868 . 8 1 1 A 74 74 GLY H H 74 8.538 8.501 0.037 1
1 869 . 8 1 1 A 74 74 GLY HA2 H 74 3.881 3.949 -0.068 1
1 870 . 8 1 1 A 74 74 GLY HA3 H 74 3.957 3.955 0.002 1
1 871 . 8 1 1 A 74 74 GLY C C 74 174.210 173.172 1.038 1
1 872 . 8 1 1 A 74 74 GLY CA C 74 45.216 46.816 -1.600 1
1 873 . 8 1 1 A 74 74 GLY N N 74 108.444 107.441 1.003 1
1 874 . 8 1 1 A 75 75 TYR H H 75 7.878 8.315 -0.437 1
1 875 . 8 1 1 A 75 75 TYR HA H 75 4.449 4.852 -0.403 1
1 882 . 8 1 1 A 75 75 TYR C C 75 175.640 173.211 2.429 1
1 883 . 8 1 1 A 75 75 TYR CA C 75 58.778 58.420 0.358 1
1 884 . 8 1 1 A 75 75 TYR CB C 75 38.856 41.540 -2.684 1
1 889 . 8 1 1 A 75 75 TYR N N 75 120.970 121.459 -0.489 1
1 890 . 8 1 1 A 76 76 ARG H H 76 8.039 8.243 -0.204 1
1 891 . 8 1 1 A 76 76 ARG HA H 76 4.346 4.600 -0.254 1
1 898 . 8 1 1 A 76 76 ARG C C 76 175.482 175.698 -0.216 1
1 899 . 8 1 1 A 76 76 ARG CA C 76 55.510 54.736 0.774 1
1 900 . 8 1 1 A 76 76 ARG CB C 76 31.307 31.688 -0.381 1
1 903 . 8 1 1 A 76 76 ARG N N 76 124.540 127.640 -3.100 1
1 904 . 8 1 1 A 77 77 SER HA H 77 4.430 4.382 0.048 1
1 907 . 8 1 1 A 77 77 SER CA C 77 58.319 59.975 -1.656 1
1 908 . 8 1 1 A 77 77 SER CB C 77 63.982 63.260 0.722 1
1 909 . 8 1 1 A 78 78 GLY HA2 H 78 4.154 3.859 0.295 1
1 910 . 8 1 1 A 78 78 GLY HA3 H 78 4.154 3.968 0.186 1
1 911 . 8 1 1 A 78 78 GLY CA C 78 44.731 44.521 0.210 1
1 912 . 8 1 1 A 79 79 PRO HA H 79 4.495 4.388 0.107 1
1 917 . 8 1 1 A 79 79 PRO CA C 79 63.366 64.867 -1.501 1
1 918 . 8 1 1 A 79 79 PRO CB C 79 32.289 32.083 0.206 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.967 3.921 0.046 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.967 3.923 0.044 1
1 3 . 9 1 1 A 7 7 GLY C C 7 173.907 173.192 0.715 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.273 45.822 -0.549 1
1 5 . 9 1 1 A 8 8 ALA H H 8 8.092 8.183 -0.091 1
1 6 . 9 1 1 A 8 8 ALA HA H 8 4.335 4.666 -0.331 1
1 10 . 9 1 1 A 8 8 ALA C C 8 177.772 176.938 0.834 1
1 11 . 9 1 1 A 8 8 ALA CA C 8 52.468 51.706 0.762 1
1 12 . 9 1 1 A 8 8 ALA CB C 8 19.404 18.754 0.650 1
1 13 . 9 1 1 A 8 8 ALA N N 8 123.589 123.582 0.007 1
1 14 . 9 1 1 A 9 9 ARG H H 9 8.298 8.539 -0.241 1
1 15 . 9 1 1 A 9 9 ARG HA H 9 4.348 4.448 -0.100 1
1 22 . 9 1 1 A 9 9 ARG C C 9 175.894 176.393 -0.499 1
1 23 . 9 1 1 A 9 9 ARG CA C 9 55.999 57.350 -1.351 1
1 24 . 9 1 1 A 9 9 ARG CB C 9 30.813 31.436 -0.623 1
1 27 . 9 1 1 A 9 9 ARG N N 9 120.366 123.209 -2.843 1
1 28 . 9 1 1 A 10 10 ARG H H 10 8.212 7.642 0.570 1
1 29 . 9 1 1 A 10 10 ARG HA H 10 4.468 4.559 -0.091 1
1 36 . 9 1 1 A 10 10 ARG C C 10 173.810 175.828 -2.018 1
1 37 . 9 1 1 A 10 10 ARG CA C 10 53.783 54.280 -0.497 1
1 38 . 9 1 1 A 10 10 ARG CB C 10 30.384 29.487 0.897 1
1 41 . 9 1 1 A 10 10 ARG N N 10 122.690 117.533 5.157 1
1 42 . 9 1 1 A 11 11 PRO HA H 11 4.322 3.724 0.598 1
1 49 . 9 1 1 A 11 11 PRO C C 11 176.427 176.134 0.293 1
1 50 . 9 1 1 A 11 11 PRO CA C 11 62.905 65.021 -2.116 1
1 51 . 9 1 1 A 11 11 PRO CB C 11 31.929 31.238 0.691 1
1 54 . 9 1 1 A 12 12 MET H H 12 8.237 7.603 0.634 1
1 55 . 9 1 1 A 12 12 MET HA H 12 4.441 4.673 -0.232 1
1 63 . 9 1 1 A 12 12 MET C C 12 175.094 173.645 1.449 1
1 64 . 9 1 1 A 12 12 MET CA C 12 55.400 53.912 1.488 1
1 65 . 9 1 1 A 12 12 MET CB C 12 33.327 34.758 -1.431 1
1 68 . 9 1 1 A 12 12 MET N N 12 120.543 112.105 8.438 1
1 69 . 9 1 1 A 13 13 ASN H H 13 7.399 8.623 -1.224 1
1 70 . 9 1 1 A 13 13 ASN HA H 13 4.650 5.105 -0.455 1
1 75 . 9 1 1 A 13 13 ASN C C 13 174.743 175.812 -1.069 1
1 76 . 9 1 1 A 13 13 ASN CA C 13 52.456 51.428 1.028 1
1 77 . 9 1 1 A 13 13 ASN CB C 13 39.513 41.585 -2.072 1
1 78 . 9 1 1 A 13 13 ASN N N 13 118.399 117.175 1.224 1
1 80 . 9 1 1 A 14 14 ALA H H 14 8.681 8.710 -0.029 1
1 81 . 9 1 1 A 14 14 ALA HA H 14 3.964 4.115 -0.151 1
1 85 . 9 1 1 A 14 14 ALA C C 14 177.736 179.070 -1.334 1
1 86 . 9 1 1 A 14 14 ALA CA C 14 56.221 54.877 1.344 1
1 87 . 9 1 1 A 14 14 ALA CB C 14 19.568 18.317 1.251 1
1 88 . 9 1 1 A 14 14 ALA N N 14 122.169 121.779 0.390 1
1 89 . 9 1 1 A 15 15 PHE H H 15 8.002 7.616 0.386 1
1 90 . 9 1 1 A 15 15 PHE HA H 15 2.866 2.260 0.606 1
1 98 . 9 1 1 A 15 15 PHE C C 15 177.821 176.624 1.197 1
1 99 . 9 1 1 A 15 15 PHE CA C 15 59.132 60.133 -1.001 1
1 100 . 9 1 1 A 15 15 PHE CB C 15 38.239 38.145 0.094 1
1 106 . 9 1 1 A 15 15 PHE N N 15 116.867 119.437 -2.570 1
1 107 . 9 1 1 A 16 16 LEU H H 16 8.264 8.208 0.056 1
1 108 . 9 1 1 A 16 16 LEU HA H 16 3.642 3.350 0.292 1
1 118 . 9 1 1 A 16 16 LEU C C 16 180.354 178.772 1.582 1
1 119 . 9 1 1 A 16 16 LEU CA C 16 58.236 57.546 0.690 1
1 120 . 9 1 1 A 16 16 LEU CB C 16 41.365 41.333 0.032 1
1 124 . 9 1 1 A 16 16 LEU N N 16 120.647 118.957 1.690 1
1 125 . 9 1 1 A 17 17 LEU H H 17 7.977 7.560 0.417 1
1 126 . 9 1 1 A 17 17 LEU HA H 17 4.065 4.028 0.037 1
1 136 . 9 1 1 A 17 17 LEU C C 17 178.984 179.080 -0.096 1
1 137 . 9 1 1 A 17 17 LEU CA C 17 58.165 57.856 0.309 1
1 138 . 9 1 1 A 17 17 LEU CB C 17 41.693 41.861 -0.168 1
1 142 . 9 1 1 A 17 17 LEU N N 17 121.855 119.604 2.251 1
1 143 . 9 1 1 A 18 18 PHE H H 18 8.136 8.025 0.111 1
1 144 . 9 1 1 A 18 18 PHE HA H 18 3.769 4.703 -0.934 1
1 150 . 9 1 1 A 18 18 PHE C C 18 179.020 177.969 1.051 1
1 151 . 9 1 1 A 18 18 PHE CA C 18 62.333 61.415 0.918 1
1 152 . 9 1 1 A 18 18 PHE CB C 18 39.122 38.649 0.473 1
1 156 . 9 1 1 A 18 18 PHE N N 18 122.907 118.386 4.521 1
1 157 . 9 1 1 A 19 19 CYS H H 19 8.520 8.138 0.382 1
1 158 . 9 1 1 A 19 19 CYS HA H 19 3.728 4.305 -0.577 1
1 161 . 9 1 1 A 19 19 CYS C C 19 176.136 176.305 -0.169 1
1 162 . 9 1 1 A 19 19 CYS CA C 19 64.313 61.539 2.774 1
1 163 . 9 1 1 A 19 19 CYS CB C 19 26.577 27.023 -0.446 1
1 164 . 9 1 1 A 19 19 CYS N N 19 119.069 117.963 1.106 1
1 165 . 9 1 1 A 20 20 LYS H H 20 7.969 7.899 0.070 1
1 166 . 9 1 1 A 20 20 LYS HA H 20 3.953 4.121 -0.168 1
1 175 . 9 1 1 A 20 20 LYS C C 20 179.133 178.677 0.456 1
1 176 . 9 1 1 A 20 20 LYS CA C 20 59.295 59.381 -0.086 1
1 177 . 9 1 1 A 20 20 LYS CB C 20 32.111 32.295 -0.184 1
1 181 . 9 1 1 A 20 20 LYS N N 20 119.888 120.377 -0.489 1
1 182 . 9 1 1 A 21 21 ARG H H 21 7.493 7.749 -0.256 1
1 183 . 9 1 1 A 21 21 ARG HA H 21 4.166 4.272 -0.106 1
1 190 . 9 1 1 A 21 21 ARG C C 21 177.239 178.231 -0.992 1
1 191 . 9 1 1 A 21 21 ARG CA C 21 57.575 58.463 -0.888 1
1 192 . 9 1 1 A 21 21 ARG CB C 21 30.137 31.147 -1.010 1
1 195 . 9 1 1 A 21 21 ARG N N 21 116.105 118.449 -2.344 1
1 196 . 9 1 1 A 22 22 HIS H H 22 7.354 8.710 -1.356 1
1 197 . 9 1 1 A 22 22 HIS HA H 22 4.706 4.425 0.281 1
1 201 . 9 1 1 A 22 22 HIS C C 22 175.627 177.224 -1.597 1
1 202 . 9 1 1 A 22 22 HIS CA C 22 58.593 59.751 -1.158 1
1 203 . 9 1 1 A 22 22 HIS CB C 22 30.754 28.631 2.123 1
1 205 . 9 1 1 A 22 22 HIS N N 22 113.808 118.100 -4.292 1
1 206 . 9 1 1 A 23 23 ARG H H 23 8.372 8.106 0.266 1
1 207 . 9 1 1 A 23 23 ARG HA H 23 3.793 3.885 -0.092 1
1 214 . 9 1 1 A 23 23 ARG C C 23 177.930 178.748 -0.818 1
1 215 . 9 1 1 A 23 23 ARG CA C 23 60.747 59.599 1.148 1
1 216 . 9 1 1 A 23 23 ARG CB C 23 29.251 30.302 -1.051 1
1 219 . 9 1 1 A 23 23 ARG N N 23 123.560 121.289 2.271 1
1 220 . 9 1 1 A 24 24 SER HA H 24 4.163 4.151 0.012 1
1 223 . 9 1 1 A 24 24 SER CA C 24 61.523 62.193 -0.670 1
1 224 . 9 1 1 A 24 24 SER CB C 24 62.116 62.950 -0.834 1
1 225 . 9 1 1 A 25 25 LEU H H 25 7.504 8.171 -0.667 1
1 226 . 9 1 1 A 25 25 LEU HA H 25 4.265 4.005 0.260 1
1 236 . 9 1 1 A 25 25 LEU C C 25 179.336 178.953 0.383 1
1 237 . 9 1 1 A 25 25 LEU CA C 25 57.837 58.518 -0.681 1
1 238 . 9 1 1 A 25 25 LEU CB C 25 41.470 42.176 -0.706 1
1 242 . 9 1 1 A 25 25 LEU N N 25 124.174 122.800 1.374 1
1 243 . 9 1 1 A 26 26 VAL H H 26 7.802 8.600 -0.798 1
1 244 . 9 1 1 A 26 26 VAL HA H 26 3.833 3.399 0.434 1
1 252 . 9 1 1 A 26 26 VAL C C 26 177.712 177.982 -0.270 1
1 253 . 9 1 1 A 26 26 VAL CA C 26 66.662 66.949 -0.287 1
1 254 . 9 1 1 A 26 26 VAL CB C 26 31.670 31.315 0.355 1
1 257 . 9 1 1 A 26 26 VAL N N 26 119.266 119.137 0.129 1
1 258 . 9 1 1 A 27 27 ARG H H 27 7.922 8.649 -0.727 1
1 259 . 9 1 1 A 27 27 ARG HA H 27 4.043 3.985 0.058 1
1 266 . 9 1 1 A 27 27 ARG C C 27 177.785 178.563 -0.778 1
1 267 . 9 1 1 A 27 27 ARG CA C 27 58.683 59.490 -0.807 1
1 268 . 9 1 1 A 27 27 ARG CB C 27 29.720 29.998 -0.278 1
1 271 . 9 1 1 A 27 27 ARG N N 27 118.035 118.939 -0.904 1
1 272 . 9 1 1 A 28 28 GLN H H 28 7.707 8.148 -0.441 1
1 273 . 9 1 1 A 28 28 GLN HA H 28 4.092 4.188 -0.096 1
1 280 . 9 1 1 A 28 28 GLN C C 28 177.785 177.976 -0.191 1
1 281 . 9 1 1 A 28 28 GLN CA C 28 58.233 58.562 -0.329 1
1 282 . 9 1 1 A 28 28 GLN CB C 28 29.191 29.068 0.123 1
1 284 . 9 1 1 A 28 28 GLN N N 28 116.893 117.218 -0.325 1
1 286 . 9 1 1 A 29 29 GLU H H 29 7.864 8.619 -0.755 1
1 287 . 9 1 1 A 29 29 GLU HA H 29 4.131 4.027 0.104 1
1 292 . 9 1 1 A 29 29 GLU C C 29 176.246 176.129 0.117 1
1 293 . 9 1 1 A 29 29 GLU CA C 29 57.808 58.603 -0.795 1
1 294 . 9 1 1 A 29 29 GLU CB C 29 31.004 29.297 1.707 1
1 296 . 9 1 1 A 29 29 GLU N N 29 116.949 119.581 -2.632 1
1 297 . 9 1 1 A 30 30 HIS H H 30 8.058 8.525 -0.467 1
1 298 . 9 1 1 A 30 30 HIS HA H 30 5.071 5.103 -0.032 1
1 303 . 9 1 1 A 30 30 HIS C C 30 173.519 174.021 -0.502 1
1 304 . 9 1 1 A 30 30 HIS CA C 30 53.347 53.354 -0.007 1
1 305 . 9 1 1 A 30 30 HIS CB C 30 30.649 29.686 0.963 1
1 308 . 9 1 1 A 30 30 HIS N N 30 116.711 116.990 -0.279 1
1 309 . 9 1 1 A 31 31 PRO HA H 31 4.648 4.376 0.272 1
1 316 . 9 1 1 A 31 31 PRO C C 31 178.197 178.632 -0.435 1
1 317 . 9 1 1 A 31 31 PRO CA C 31 64.911 65.142 -0.231 1
1 318 . 9 1 1 A 31 31 PRO CB C 31 32.458 31.869 0.589 1
1 321 . 9 1 1 A 32 32 ARG H H 32 8.617 8.501 0.116 1
1 322 . 9 1 1 A 32 32 ARG HA H 32 4.406 4.083 0.323 1
1 329 . 9 1 1 A 32 32 ARG C C 32 176.815 177.581 -0.766 1
1 330 . 9 1 1 A 32 32 ARG CA C 32 55.959 58.877 -2.918 1
1 331 . 9 1 1 A 32 32 ARG CB C 32 29.808 29.760 0.048 1
1 334 . 9 1 1 A 32 32 ARG N N 32 116.125 118.803 -2.678 1
1 335 . 9 1 1 A 33 33 LEU H H 33 7.421 7.585 -0.164 1
1 336 . 9 1 1 A 33 33 LEU HA H 33 4.409 4.226 0.183 1
1 346 . 9 1 1 A 33 33 LEU C C 33 177.349 176.385 0.964 1
1 347 . 9 1 1 A 33 33 LEU CA C 33 55.140 55.227 -0.087 1
1 348 . 9 1 1 A 33 33 LEU CB C 33 43.420 42.299 1.121 1
1 352 . 9 1 1 A 33 33 LEU N N 33 120.576 120.990 -0.414 1
1 353 . 9 1 1 A 34 34 ASP H H 34 8.168 9.123 -0.955 1
1 354 . 9 1 1 A 34 34 ASP HA H 34 4.646 4.735 -0.089 1
1 357 . 9 1 1 A 34 34 ASP C C 34 175.821 176.657 -0.836 1
1 358 . 9 1 1 A 34 34 ASP CA C 34 52.415 56.132 -3.717 1
1 359 . 9 1 1 A 34 34 ASP CB C 34 41.177 41.566 -0.389 1
1 360 . 9 1 1 A 34 34 ASP N N 34 122.502 123.216 -0.714 1
1 361 . 9 1 1 A 35 35 ASN HA H 35 4.395 4.978 -0.583 1
1 366 . 9 1 1 A 35 35 ASN CA C 35 57.033 54.750 2.283 1
1 367 . 9 1 1 A 35 35 ASN CB C 35 38.344 40.194 -1.850 1
1 369 . 9 1 1 A 36 36 ARG HA H 36 4.096 4.038 0.058 1
1 376 . 9 1 1 A 36 36 ARG C C 36 179.554 179.765 -0.211 1
1 377 . 9 1 1 A 36 36 ARG CA C 36 59.527 59.048 0.479 1
1 378 . 9 1 1 A 36 36 ARG CB C 36 29.626 29.933 -0.307 1
1 381 . 9 1 1 A 37 37 GLY H H 37 8.618 8.209 0.409 1
1 382 . 9 1 1 A 37 37 GLY HA2 H 37 3.888 3.740 0.148 1
1 383 . 9 1 1 A 37 37 GLY HA3 H 37 3.754 3.743 0.011 1
1 384 . 9 1 1 A 37 37 GLY C C 37 176.597 175.921 0.676 1
1 385 . 9 1 1 A 37 37 GLY CA C 37 47.048 47.282 -0.234 1
1 386 . 9 1 1 A 37 37 GLY N N 37 110.017 108.764 1.253 1
1 387 . 9 1 1 A 38 38 ALA H H 38 8.619 8.022 0.597 1
1 388 . 9 1 1 A 38 38 ALA HA H 38 3.945 3.897 0.048 1
1 392 . 9 1 1 A 38 38 ALA C C 38 178.924 179.449 -0.525 1
1 393 . 9 1 1 A 38 38 ALA CA C 38 55.123 54.628 0.495 1
1 394 . 9 1 1 A 38 38 ALA CB C 38 18.046 18.155 -0.109 1
1 395 . 9 1 1 A 38 38 ALA N N 38 124.889 124.299 0.590 1
1 396 . 9 1 1 A 39 39 THR H H 39 8.239 7.952 0.287 1
1 397 . 9 1 1 A 39 39 THR HA H 39 3.895 3.962 -0.067 1
1 402 . 9 1 1 A 39 39 THR C C 39 175.252 176.631 -1.379 1
1 403 . 9 1 1 A 39 39 THR CA C 39 66.889 66.650 0.239 1
1 404 . 9 1 1 A 39 39 THR CB C 39 68.607 68.176 0.431 1
1 406 . 9 1 1 A 39 39 THR N N 39 114.810 114.988 -0.178 1
1 407 . 9 1 1 A 40 40 LYS H H 40 7.518 7.796 -0.278 1
1 408 . 9 1 1 A 40 40 LYS HA H 40 4.098 4.093 0.005 1
1 417 . 9 1 1 A 40 40 LYS C C 40 178.330 179.362 -1.032 1
1 418 . 9 1 1 A 40 40 LYS CA C 40 59.746 58.505 1.241 1
1 419 . 9 1 1 A 40 40 LYS CB C 40 32.106 32.113 -0.007 1
1 423 . 9 1 1 A 40 40 LYS N N 40 122.046 120.224 1.822 1
1 424 . 9 1 1 A 41 41 ILE H H 41 7.218 7.634 -0.416 1
1 425 . 9 1 1 A 41 41 ILE HA H 41 3.722 3.677 0.045 1
1 435 . 9 1 1 A 41 41 ILE C C 41 178.197 178.197 0.000 1
1 436 . 9 1 1 A 41 41 ILE CA C 41 64.055 64.647 -0.592 1
1 437 . 9 1 1 A 41 41 ILE CB C 41 36.482 37.809 -1.327 1
1 441 . 9 1 1 A 41 41 ILE N N 41 119.019 120.644 -1.625 1
1 442 . 9 1 1 A 42 42 LEU H H 42 7.940 8.340 -0.400 1
1 443 . 9 1 1 A 42 42 LEU HA H 42 3.988 4.083 -0.095 1
1 453 . 9 1 1 A 42 42 LEU C C 42 179.251 179.569 -0.318 1
1 454 . 9 1 1 A 42 42 LEU CA C 42 58.605 57.806 0.799 1
1 455 . 9 1 1 A 42 42 LEU CB C 42 41.694 41.106 0.588 1
1 459 . 9 1 1 A 42 42 LEU N N 42 119.163 118.850 0.313 1
1 460 . 9 1 1 A 43 43 ALA H H 43 8.732 8.178 0.554 1
1 461 . 9 1 1 A 43 43 ALA HA H 43 4.222 3.900 0.322 1
1 465 . 9 1 1 A 43 43 ALA C C 43 180.899 179.674 1.225 1
1 466 . 9 1 1 A 43 43 ALA CA C 43 55.699 55.442 0.257 1
1 467 . 9 1 1 A 43 43 ALA CB C 43 17.859 18.446 -0.587 1
1 468 . 9 1 1 A 43 43 ALA N N 43 122.225 121.930 0.295 1
1 469 . 9 1 1 A 44 44 ASP H H 44 8.350 7.807 0.543 1
1 470 . 9 1 1 A 44 44 ASP HA H 44 4.545 4.277 0.268 1
1 473 . 9 1 1 A 44 44 ASP C C 44 179.227 178.594 0.633 1
1 474 . 9 1 1 A 44 44 ASP CA C 44 57.507 57.443 0.064 1
1 475 . 9 1 1 A 44 44 ASP CB C 44 39.719 41.022 -1.303 1
1 476 . 9 1 1 A 44 44 ASP N N 44 122.950 118.450 4.500 1
1 477 . 9 1 1 A 45 45 TRP H H 45 8.831 8.398 0.433 1
1 478 . 9 1 1 A 45 45 TRP HA H 45 4.692 4.415 0.277 1
1 487 . 9 1 1 A 45 45 TRP C C 45 179.057 178.822 0.235 1
1 488 . 9 1 1 A 45 45 TRP CA C 45 58.008 59.963 -1.955 1
1 489 . 9 1 1 A 45 45 TRP CB C 45 29.520 29.624 -0.104 1
1 495 . 9 1 1 A 45 45 TRP N N 45 122.321 120.084 2.237 1
1 497 . 9 1 1 A 46 46 TRP H H 46 8.921 8.143 0.778 1
1 498 . 9 1 1 A 46 46 TRP HA H 46 3.733 3.346 0.387 1
1 507 . 9 1 1 A 46 46 TRP C C 46 177.664 178.002 -0.338 1
1 508 . 9 1 1 A 46 46 TRP CA C 46 59.279 60.402 -1.123 1
1 509 . 9 1 1 A 46 46 TRP CB C 46 30.508 29.113 1.395 1
1 515 . 9 1 1 A 46 46 TRP N N 46 120.243 121.241 -0.998 1
1 517 . 9 1 1 A 47 47 ALA H H 47 7.918 9.109 -1.191 1
1 518 . 9 1 1 A 47 47 ALA HA H 47 3.918 3.954 -0.036 1
1 522 . 9 1 1 A 47 47 ALA C C 47 179.978 177.937 2.041 1
1 523 . 9 1 1 A 47 47 ALA CA C 47 55.011 54.624 0.387 1
1 524 . 9 1 1 A 47 47 ALA CB C 47 18.581 18.476 0.105 1
1 525 . 9 1 1 A 47 47 ALA N N 47 117.935 120.802 -2.867 1
1 526 . 9 1 1 A 48 48 VAL H H 48 7.106 7.561 -0.455 1
1 527 . 9 1 1 A 48 48 VAL HA H 48 4.378 4.355 0.023 1
1 535 . 9 1 1 A 48 48 VAL C C 48 175.627 174.485 1.142 1
1 536 . 9 1 1 A 48 48 VAL CA C 48 60.641 60.418 0.223 1
1 537 . 9 1 1 A 48 48 VAL CB C 48 31.865 31.668 0.197 1
1 540 . 9 1 1 A 48 48 VAL N N 48 107.757 107.808 -0.051 1
1 541 . 9 1 1 A 49 49 LEU H H 49 7.008 7.570 -0.562 1
1 542 . 9 1 1 A 49 49 LEU HA H 49 3.948 5.069 -1.121 1
1 552 . 9 1 1 A 49 49 LEU C C 49 176.258 174.097 2.161 1
1 553 . 9 1 1 A 49 49 LEU CA C 49 55.032 53.395 1.637 1
1 554 . 9 1 1 A 49 49 LEU CB C 49 42.822 45.752 -2.930 1
1 558 . 9 1 1 A 49 49 LEU N N 49 125.594 125.638 -0.044 1
1 559 . 9 1 1 A 50 50 ASP H H 50 8.485 8.676 -0.191 1
1 560 . 9 1 1 A 50 50 ASP HA H 50 4.643 4.712 -0.069 1
1 563 . 9 1 1 A 50 50 ASP CA C 50 52.855 52.796 0.059 1
1 564 . 9 1 1 A 50 50 ASP CB C 50 42.605 40.810 1.795 1
1 565 . 9 1 1 A 51 51 PRO HA H 51 4.025 4.223 -0.198 1
1 572 . 9 1 1 A 51 51 PRO C C 51 179.166 178.295 0.871 1
1 573 . 9 1 1 A 51 51 PRO CA C 51 65.861 65.583 0.278 1
1 574 . 9 1 1 A 51 51 PRO CB C 51 32.458 31.568 0.890 1
1 577 . 9 1 1 A 52 52 LYS H H 52 8.866 8.046 0.820 1
1 578 . 9 1 1 A 52 52 LYS HA H 52 4.165 4.057 0.108 1
1 585 . 9 1 1 A 52 52 LYS C C 52 179.542 178.825 0.717 1
1 586 . 9 1 1 A 52 52 LYS CA C 52 59.484 59.370 0.114 1
1 587 . 9 1 1 A 52 52 LYS CB C 52 31.906 32.389 -0.483 1
1 591 . 9 1 1 A 52 52 LYS N N 52 118.625 118.269 0.356 1
1 592 . 9 1 1 A 53 53 GLU H H 53 7.727 8.461 -0.734 1
1 593 . 9 1 1 A 53 53 GLU HA H 53 4.343 4.128 0.215 1
1 598 . 9 1 1 A 53 53 GLU C C 53 179.335 179.450 -0.115 1
1 599 . 9 1 1 A 53 53 GLU CA C 53 58.355 59.495 -1.140 1
1 600 . 9 1 1 A 53 53 GLU CB C 53 29.726 29.305 0.421 1
1 602 . 9 1 1 A 53 53 GLU N N 53 120.460 119.307 1.153 1
1 603 . 9 1 1 A 54 54 LYS H H 54 8.194 7.688 0.506 1
1 604 . 9 1 1 A 54 54 LYS HA H 54 3.949 4.457 -0.508 1
1 613 . 9 1 1 A 54 54 LYS C C 54 179.566 179.060 0.506 1
1 614 . 9 1 1 A 54 54 LYS CA C 54 60.920 60.225 0.695 1
1 615 . 9 1 1 A 54 54 LYS CB C 54 32.481 32.219 0.262 1
1 619 . 9 1 1 A 54 54 LYS N N 54 118.859 118.480 0.379 1
1 620 . 9 1 1 A 55 55 GLN H H 55 7.965 9.270 -1.305 1
1 621 . 9 1 1 A 55 55 GLN HA H 55 4.025 4.079 -0.054 1
1 628 . 9 1 1 A 55 55 GLN C C 55 177.154 177.967 -0.813 1
1 629 . 9 1 1 A 55 55 GLN CA C 55 58.064 58.948 -0.884 1
1 630 . 9 1 1 A 55 55 GLN CB C 55 28.163 28.800 -0.637 1
1 632 . 9 1 1 A 55 55 GLN N N 55 117.922 119.711 -1.789 1
1 634 . 9 1 1 A 56 56 LYS H H 56 7.483 8.091 -0.608 1
1 635 . 9 1 1 A 56 56 LYS HA H 56 4.205 4.105 0.100 1
1 644 . 9 1 1 A 56 56 LYS C C 56 179.772 178.331 1.441 1
1 645 . 9 1 1 A 56 56 LYS CA C 56 59.671 59.303 0.368 1
1 646 . 9 1 1 A 56 56 LYS CB C 56 31.700 32.121 -0.421 1
1 650 . 9 1 1 A 56 56 LYS N N 56 118.491 118.628 -0.137 1
1 651 . 9 1 1 A 57 57 TYR H H 57 7.707 8.546 -0.839 1
1 652 . 9 1 1 A 57 57 TYR HA H 57 4.344 4.532 -0.188 1
1 659 . 9 1 1 A 57 57 TYR C C 57 177.966 178.599 -0.633 1
1 660 . 9 1 1 A 57 57 TYR CA C 57 62.784 60.372 2.412 1
1 661 . 9 1 1 A 57 57 TYR CB C 57 38.973 38.956 0.017 1
1 666 . 9 1 1 A 57 57 TYR N N 57 117.968 119.409 -1.441 1
1 667 . 9 1 1 A 58 58 THR H H 58 8.458 9.514 -1.056 1
1 668 . 9 1 1 A 58 58 THR HA H 58 4.074 4.051 0.023 1
1 673 . 9 1 1 A 58 58 THR C C 58 177.203 175.969 1.234 1
1 674 . 9 1 1 A 58 58 THR CA C 58 67.168 66.879 0.289 1
1 675 . 9 1 1 A 58 58 THR CB C 58 68.401 68.912 -0.511 1
1 677 . 9 1 1 A 58 58 THR N N 58 118.700 115.477 3.223 1
1 678 . 9 1 1 A 59 59 ASP H H 59 8.807 8.322 0.485 1
1 679 . 9 1 1 A 59 59 ASP HA H 59 4.514 4.398 0.116 1
1 682 . 9 1 1 A 59 59 ASP C C 59 179.154 178.563 0.591 1
1 683 . 9 1 1 A 59 59 ASP CA C 59 57.754 57.728 0.026 1
1 684 . 9 1 1 A 59 59 ASP CB C 59 39.801 40.661 -0.860 1
1 685 . 9 1 1 A 59 59 ASP N N 59 123.812 121.428 2.384 1
1 686 . 9 1 1 A 60 60 MET H H 60 8.085 8.249 -0.164 1
1 687 . 9 1 1 A 60 60 MET HA H 60 4.161 3.978 0.183 1
1 695 . 9 1 1 A 60 60 MET C C 60 178.378 178.291 0.087 1
1 696 . 9 1 1 A 60 60 MET CA C 60 58.980 59.604 -0.624 1
1 697 . 9 1 1 A 60 60 MET CB C 60 34.227 32.616 1.611 1
1 700 . 9 1 1 A 60 60 MET N N 60 120.481 118.095 2.386 1
1 701 . 9 1 1 A 61 61 ALA H H 61 8.296 8.009 0.287 1
1 702 . 9 1 1 A 61 61 ALA HA H 61 4.114 4.357 -0.243 1
1 706 . 9 1 1 A 61 61 ALA C C 61 179.408 179.439 -0.031 1
1 707 . 9 1 1 A 61 61 ALA CA C 61 54.935 55.334 -0.399 1
1 708 . 9 1 1 A 61 61 ALA CB C 61 17.759 18.391 -0.632 1
1 709 . 9 1 1 A 61 61 ALA N N 61 121.147 121.549 -0.402 1
1 710 . 9 1 1 A 62 62 LYS H H 62 7.812 8.551 -0.739 1
1 711 . 9 1 1 A 62 62 LYS HA H 62 4.177 3.956 0.221 1
1 720 . 9 1 1 A 62 62 LYS C C 62 177.979 179.116 -1.137 1
1 721 . 9 1 1 A 62 62 LYS CA C 62 59.289 59.718 -0.429 1
1 722 . 9 1 1 A 62 62 LYS CB C 62 32.539 32.347 0.192 1
1 726 . 9 1 1 A 62 62 LYS N N 62 119.686 118.408 1.278 1
1 727 . 9 1 1 A 63 63 GLU H H 63 7.810 8.017 -0.207 1
1 728 . 9 1 1 A 63 63 GLU HA H 63 4.216 4.034 0.182 1
1 733 . 9 1 1 A 63 63 GLU C C 63 178.597 179.218 -0.621 1
1 734 . 9 1 1 A 63 63 GLU CA C 63 58.386 59.091 -0.705 1
1 735 . 9 1 1 A 63 63 GLU CB C 63 29.644 29.188 0.456 1
1 737 . 9 1 1 A 63 63 GLU N N 63 118.765 118.402 0.363 1
1 738 . 9 1 1 A 64 64 TYR H H 64 8.098 8.108 -0.010 1
1 739 . 9 1 1 A 64 64 TYR HA H 64 4.395 4.237 0.158 1
1 746 . 9 1 1 A 64 64 TYR C C 64 177.639 178.282 -0.643 1
1 747 . 9 1 1 A 64 64 TYR CA C 64 60.006 61.560 -1.554 1
1 748 . 9 1 1 A 64 64 TYR CB C 64 38.198 38.105 0.093 1
1 753 . 9 1 1 A 64 64 TYR N N 64 119.914 119.790 0.124 1
1 754 . 9 1 1 A 65 65 LYS H H 65 8.225 9.608 -1.383 1
1 755 . 9 1 1 A 65 65 LYS HA H 65 4.146 4.016 0.130 1
1 764 . 9 1 1 A 65 65 LYS C C 65 177.481 178.151 -0.670 1
1 765 . 9 1 1 A 65 65 LYS CA C 65 58.793 59.758 -0.965 1
1 766 . 9 1 1 A 65 65 LYS CB C 65 32.523 32.367 0.156 1
1 770 . 9 1 1 A 65 65 LYS N N 65 122.842 120.692 2.150 1
1 771 . 9 1 1 A 66 66 ASP H H 66 8.402 8.447 -0.045 1
1 772 . 9 1 1 A 66 66 ASP HA H 66 4.485 4.463 0.022 1
1 775 . 9 1 1 A 66 66 ASP C C 66 177.930 178.815 -0.885 1
1 776 . 9 1 1 A 66 66 ASP CA C 66 56.423 57.667 -1.244 1
1 777 . 9 1 1 A 66 66 ASP CB C 66 40.829 40.568 0.261 1
1 778 . 9 1 1 A 66 66 ASP N N 66 120.424 119.161 1.263 1
1 779 . 9 1 1 A 67 67 ALA H H 67 7.989 8.233 -0.244 1
1 780 . 9 1 1 A 67 67 ALA HA H 67 4.151 4.102 0.049 1
1 784 . 9 1 1 A 67 67 ALA C C 67 179.457 179.749 -0.292 1
1 785 . 9 1 1 A 67 67 ALA CA C 67 54.274 55.222 -0.948 1
1 786 . 9 1 1 A 67 67 ALA CB C 67 18.499 18.793 -0.294 1
1 787 . 9 1 1 A 67 67 ALA N N 67 122.273 121.637 0.636 1
1 788 . 9 1 1 A 68 68 PHE H H 68 8.235 8.766 -0.531 1
1 789 . 9 1 1 A 68 68 PHE HA H 68 4.314 4.001 0.313 1
1 796 . 9 1 1 A 68 68 PHE C C 68 177.421 177.136 0.285 1
1 797 . 9 1 1 A 68 68 PHE CA C 68 60.193 62.127 -1.934 1
1 798 . 9 1 1 A 68 68 PHE CB C 68 39.390 39.318 0.072 1
1 803 . 9 1 1 A 68 68 PHE N N 68 119.632 119.321 0.311 1
1 804 . 9 1 1 A 69 69 MET H H 69 8.325 8.656 -0.331 1
1 805 . 9 1 1 A 69 69 MET HA H 69 4.296 4.547 -0.251 1
1 813 . 9 1 1 A 69 69 MET C C 69 177.651 175.802 1.849 1
1 814 . 9 1 1 A 69 69 MET CA C 69 56.645 54.093 2.552 1
1 815 . 9 1 1 A 69 69 MET CB C 69 32.108 30.899 1.209 1
1 818 . 9 1 1 A 69 69 MET N N 69 119.223 116.024 3.199 1
1 819 . 9 1 1 A 70 70 LYS H H 70 7.864 8.525 -0.661 1
1 820 . 9 1 1 A 70 70 LYS HA H 70 4.092 4.441 -0.349 1
1 829 . 9 1 1 A 70 70 LYS C C 70 177.009 176.800 0.209 1
1 830 . 9 1 1 A 70 70 LYS CA C 70 57.769 55.717 2.052 1
1 831 . 9 1 1 A 70 70 LYS CB C 70 32.687 33.714 -1.027 1
1 835 . 9 1 1 A 70 70 LYS N N 70 120.004 126.886 -6.882 1
1 836 . 9 1 1 A 71 71 ALA H H 71 7.670 7.604 0.066 1
1 837 . 9 1 1 A 71 71 ALA HA H 71 4.264 4.411 -0.147 1
1 841 . 9 1 1 A 71 71 ALA C C 71 177.009 176.153 0.856 1
1 842 . 9 1 1 A 71 71 ALA CA C 71 52.603 50.880 1.723 1
1 843 . 9 1 1 A 71 71 ALA CB C 71 19.321 18.915 0.406 1
1 844 . 9 1 1 A 71 71 ALA N N 71 121.270 120.473 0.797 1
1 845 . 9 1 1 A 72 72 ASN H H 72 7.846 7.522 0.324 1
1 846 . 9 1 1 A 72 72 ASN HA H 72 4.972 5.129 -0.157 1
1 851 . 9 1 1 A 72 72 ASN C C 72 172.453 172.921 -0.468 1
1 852 . 9 1 1 A 72 72 ASN CA C 72 51.185 48.922 2.263 1
1 853 . 9 1 1 A 72 72 ASN CB C 72 39.350 41.198 -1.848 1
1 854 . 9 1 1 A 72 72 ASN N N 72 117.432 116.326 1.106 1
1 856 . 9 1 1 A 73 73 PRO HA H 73 4.465 4.464 0.001 1
1 863 . 9 1 1 A 73 73 PRO C C 73 177.857 177.527 0.330 1
1 864 . 9 1 1 A 73 73 PRO CA C 73 63.972 63.552 0.420 1
1 865 . 9 1 1 A 73 73 PRO CB C 73 31.884 32.208 -0.324 1
1 868 . 9 1 1 A 74 74 GLY H H 74 8.538 9.129 -0.591 1
1 869 . 9 1 1 A 74 74 GLY HA2 H 74 3.881 3.883 -0.002 1
1 870 . 9 1 1 A 74 74 GLY HA3 H 74 3.957 3.899 0.058 1
1 871 . 9 1 1 A 74 74 GLY C C 74 174.210 174.910 -0.700 1
1 872 . 9 1 1 A 74 74 GLY CA C 74 45.216 47.095 -1.879 1
1 873 . 9 1 1 A 74 74 GLY N N 74 108.444 112.123 -3.679 1
1 874 . 9 1 1 A 75 75 TYR H H 75 7.878 7.960 -0.082 1
1 875 . 9 1 1 A 75 75 TYR HA H 75 4.449 4.817 -0.368 1
1 882 . 9 1 1 A 75 75 TYR C C 75 175.640 176.142 -0.502 1
1 883 . 9 1 1 A 75 75 TYR CA C 75 58.778 57.430 1.348 1
1 884 . 9 1 1 A 75 75 TYR CB C 75 38.856 40.461 -1.605 1
1 889 . 9 1 1 A 75 75 TYR N N 75 120.970 119.029 1.941 1
1 890 . 9 1 1 A 76 76 ARG H H 76 8.039 6.695 1.344 1
1 891 . 9 1 1 A 76 76 ARG HA H 76 4.346 3.522 0.824 1
1 898 . 9 1 1 A 76 76 ARG C C 76 175.482 174.887 0.595 1
1 899 . 9 1 1 A 76 76 ARG CA C 76 55.510 56.211 -0.701 1
1 900 . 9 1 1 A 76 76 ARG CB C 76 31.307 28.773 2.534 1
1 903 . 9 1 1 A 76 76 ARG N N 76 124.540 116.469 8.071 1
1 904 . 9 1 1 A 77 77 SER HA H 77 4.430 4.955 -0.525 1
1 907 . 9 1 1 A 77 77 SER CA C 77 58.319 57.203 1.116 1
1 908 . 9 1 1 A 77 77 SER CB C 77 63.982 64.376 -0.394 1
1 909 . 9 1 1 A 78 78 GLY HA2 H 78 4.154 3.988 0.166 1
1 910 . 9 1 1 A 78 78 GLY HA3 H 78 4.154 4.004 0.150 1
1 911 . 9 1 1 A 78 78 GLY CA C 78 44.731 45.727 -0.996 1
1 912 . 9 1 1 A 79 79 PRO HA H 79 4.495 4.577 -0.082 1
1 917 . 9 1 1 A 79 79 PRO CA C 79 63.366 62.384 0.982 1
1 918 . 9 1 1 A 79 79 PRO CB C 79 32.289 32.735 -0.446 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.967 3.816 0.151 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.967 3.818 0.149 1
1 3 . 10 1 1 A 7 7 GLY C C 7 173.907 174.439 -0.532 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.273 47.411 -2.138 1
1 5 . 10 1 1 A 8 8 ALA H H 8 8.092 7.469 0.623 1
1 6 . 10 1 1 A 8 8 ALA HA H 8 4.335 4.472 -0.137 1
1 10 . 10 1 1 A 8 8 ALA C C 8 177.772 175.715 2.057 1
1 11 . 10 1 1 A 8 8 ALA CA C 8 52.468 51.898 0.570 1
1 12 . 10 1 1 A 8 8 ALA CB C 8 19.404 18.973 0.431 1
1 13 . 10 1 1 A 8 8 ALA N N 8 123.589 117.641 5.948 1
1 14 . 10 1 1 A 9 9 ARG H H 9 8.298 8.677 -0.379 1
1 15 . 10 1 1 A 9 9 ARG HA H 9 4.348 4.695 -0.347 1
1 22 . 10 1 1 A 9 9 ARG C C 9 175.894 174.245 1.649 1
1 23 . 10 1 1 A 9 9 ARG CA C 9 55.999 55.401 0.598 1
1 24 . 10 1 1 A 9 9 ARG CB C 9 30.813 30.679 0.134 1
1 27 . 10 1 1 A 9 9 ARG N N 9 120.366 123.488 -3.122 1
1 28 . 10 1 1 A 10 10 ARG H H 10 8.212 7.508 0.704 1
1 29 . 10 1 1 A 10 10 ARG HA H 10 4.468 4.315 0.153 1
1 36 . 10 1 1 A 10 10 ARG C C 10 173.810 175.014 -1.204 1
1 37 . 10 1 1 A 10 10 ARG CA C 10 53.783 53.073 0.710 1
1 38 . 10 1 1 A 10 10 ARG CB C 10 30.384 34.069 -3.685 1
1 41 . 10 1 1 A 10 10 ARG N N 10 122.690 118.324 4.366 1
1 42 . 10 1 1 A 11 11 PRO HA H 11 4.322 4.001 0.321 1
1 49 . 10 1 1 A 11 11 PRO C C 11 176.427 176.209 0.218 1
1 50 . 10 1 1 A 11 11 PRO CA C 11 62.905 64.476 -1.571 1
1 51 . 10 1 1 A 11 11 PRO CB C 11 31.929 31.662 0.267 1
1 54 . 10 1 1 A 12 12 MET H H 12 8.237 7.529 0.708 1
1 55 . 10 1 1 A 12 12 MET HA H 12 4.441 4.579 -0.138 1
1 63 . 10 1 1 A 12 12 MET C C 12 175.094 173.862 1.232 1
1 64 . 10 1 1 A 12 12 MET CA C 12 55.400 53.997 1.403 1
1 65 . 10 1 1 A 12 12 MET CB C 12 33.327 34.314 -0.987 1
1 68 . 10 1 1 A 12 12 MET N N 12 120.543 111.631 8.912 1
1 69 . 10 1 1 A 13 13 ASN H H 13 7.399 8.422 -1.023 1
1 70 . 10 1 1 A 13 13 ASN HA H 13 4.650 5.145 -0.495 1
1 75 . 10 1 1 A 13 13 ASN C C 13 174.743 175.310 -0.567 1
1 76 . 10 1 1 A 13 13 ASN CA C 13 52.456 51.977 0.479 1
1 77 . 10 1 1 A 13 13 ASN CB C 13 39.513 40.153 -0.640 1
1 78 . 10 1 1 A 13 13 ASN N N 13 118.399 116.265 2.134 1
1 80 . 10 1 1 A 14 14 ALA H H 14 8.681 8.754 -0.073 1
1 81 . 10 1 1 A 14 14 ALA HA H 14 3.964 4.212 -0.248 1
1 85 . 10 1 1 A 14 14 ALA C C 14 177.736 179.270 -1.534 1
1 86 . 10 1 1 A 14 14 ALA CA C 14 56.221 55.214 1.007 1
1 87 . 10 1 1 A 14 14 ALA CB C 14 19.568 18.845 0.723 1
1 88 . 10 1 1 A 14 14 ALA N N 14 122.169 121.135 1.034 1
1 89 . 10 1 1 A 15 15 PHE H H 15 8.002 8.036 -0.034 1
1 90 . 10 1 1 A 15 15 PHE HA H 15 2.866 2.334 0.532 1
1 98 . 10 1 1 A 15 15 PHE C C 15 177.821 176.538 1.283 1
1 99 . 10 1 1 A 15 15 PHE CA C 15 59.132 60.788 -1.656 1
1 100 . 10 1 1 A 15 15 PHE CB C 15 38.239 38.532 -0.293 1
1 106 . 10 1 1 A 15 15 PHE N N 15 116.867 118.781 -1.914 1
1 107 . 10 1 1 A 16 16 LEU H H 16 8.264 9.136 -0.872 1
1 108 . 10 1 1 A 16 16 LEU HA H 16 3.642 3.682 -0.040 1
1 118 . 10 1 1 A 16 16 LEU C C 16 180.354 179.126 1.228 1
1 119 . 10 1 1 A 16 16 LEU CA C 16 58.236 57.760 0.476 1
1 120 . 10 1 1 A 16 16 LEU CB C 16 41.365 41.506 -0.141 1
1 124 . 10 1 1 A 16 16 LEU N N 16 120.647 120.227 0.420 1
1 125 . 10 1 1 A 17 17 LEU H H 17 7.977 8.438 -0.461 1
1 126 . 10 1 1 A 17 17 LEU HA H 17 4.065 3.966 0.099 1
1 136 . 10 1 1 A 17 17 LEU C C 17 178.984 179.251 -0.267 1
1 137 . 10 1 1 A 17 17 LEU CA C 17 58.165 57.963 0.202 1
1 138 . 10 1 1 A 17 17 LEU CB C 17 41.693 42.016 -0.323 1
1 142 . 10 1 1 A 17 17 LEU N N 17 121.855 118.770 3.085 1
1 143 . 10 1 1 A 18 18 PHE H H 18 8.136 7.938 0.198 1
1 144 . 10 1 1 A 18 18 PHE HA H 18 3.769 4.017 -0.248 1
1 150 . 10 1 1 A 18 18 PHE C C 18 179.020 177.794 1.226 1
1 151 . 10 1 1 A 18 18 PHE CA C 18 62.333 61.523 0.810 1
1 152 . 10 1 1 A 18 18 PHE CB C 18 39.122 38.815 0.307 1
1 156 . 10 1 1 A 18 18 PHE N N 18 122.907 118.388 4.519 1
1 157 . 10 1 1 A 19 19 CYS H H 19 8.520 8.110 0.410 1
1 158 . 10 1 1 A 19 19 CYS HA H 19 3.728 4.281 -0.553 1
1 161 . 10 1 1 A 19 19 CYS C C 19 176.136 176.768 -0.632 1
1 162 . 10 1 1 A 19 19 CYS CA C 19 64.313 62.482 1.831 1
1 163 . 10 1 1 A 19 19 CYS CB C 19 26.577 26.515 0.062 1
1 164 . 10 1 1 A 19 19 CYS N N 19 119.069 116.621 2.448 1
1 165 . 10 1 1 A 20 20 LYS H H 20 7.969 8.092 -0.123 1
1 166 . 10 1 1 A 20 20 LYS HA H 20 3.953 4.059 -0.106 1
1 175 . 10 1 1 A 20 20 LYS C C 20 179.133 178.560 0.573 1
1 176 . 10 1 1 A 20 20 LYS CA C 20 59.295 59.343 -0.048 1
1 177 . 10 1 1 A 20 20 LYS CB C 20 32.111 32.474 -0.363 1
1 181 . 10 1 1 A 20 20 LYS N N 20 119.888 120.468 -0.580 1
1 182 . 10 1 1 A 21 21 ARG H H 21 7.493 7.806 -0.313 1
1 183 . 10 1 1 A 21 21 ARG HA H 21 4.166 4.323 -0.157 1
1 190 . 10 1 1 A 21 21 ARG C C 21 177.239 178.064 -0.825 1
1 191 . 10 1 1 A 21 21 ARG CA C 21 57.575 58.180 -0.605 1
1 192 . 10 1 1 A 21 21 ARG CB C 21 30.137 31.162 -1.025 1
1 195 . 10 1 1 A 21 21 ARG N N 21 116.105 118.649 -2.544 1
1 196 . 10 1 1 A 22 22 HIS H H 22 7.354 8.740 -1.386 1
1 197 . 10 1 1 A 22 22 HIS HA H 22 4.706 4.424 0.282 1
1 201 . 10 1 1 A 22 22 HIS C C 22 175.627 177.243 -1.616 1
1 202 . 10 1 1 A 22 22 HIS CA C 22 58.593 59.828 -1.235 1
1 203 . 10 1 1 A 22 22 HIS CB C 22 30.754 28.476 2.278 1
1 205 . 10 1 1 A 22 22 HIS N N 22 113.808 118.348 -4.540 1
1 206 . 10 1 1 A 23 23 ARG H H 23 8.372 7.894 0.478 1
1 207 . 10 1 1 A 23 23 ARG HA H 23 3.793 3.793 0.000 1
1 214 . 10 1 1 A 23 23 ARG C C 23 177.930 178.290 -0.360 1
1 215 . 10 1 1 A 23 23 ARG CA C 23 60.747 59.630 1.117 1
1 216 . 10 1 1 A 23 23 ARG CB C 23 29.251 30.245 -0.994 1
1 219 . 10 1 1 A 23 23 ARG N N 23 123.560 120.678 2.882 1
1 220 . 10 1 1 A 24 24 SER HA H 24 4.163 4.112 0.051 1
1 223 . 10 1 1 A 24 24 SER CA C 24 61.523 61.695 -0.172 1
1 224 . 10 1 1 A 24 24 SER CB C 24 62.116 63.006 -0.890 1
1 225 . 10 1 1 A 25 25 LEU H H 25 7.504 8.174 -0.670 1
1 226 . 10 1 1 A 25 25 LEU HA H 25 4.265 4.020 0.245 1
1 236 . 10 1 1 A 25 25 LEU C C 25 179.336 179.050 0.286 1
1 237 . 10 1 1 A 25 25 LEU CA C 25 57.837 58.141 -0.304 1
1 238 . 10 1 1 A 25 25 LEU CB C 25 41.470 42.044 -0.574 1
1 242 . 10 1 1 A 25 25 LEU N N 25 124.174 122.224 1.950 1
1 243 . 10 1 1 A 26 26 VAL H H 26 7.802 8.048 -0.246 1
1 244 . 10 1 1 A 26 26 VAL HA H 26 3.833 3.454 0.379 1
1 252 . 10 1 1 A 26 26 VAL C C 26 177.712 177.875 -0.163 1
1 253 . 10 1 1 A 26 26 VAL CA C 26 66.662 66.984 -0.322 1
1 254 . 10 1 1 A 26 26 VAL CB C 26 31.670 31.232 0.438 1
1 257 . 10 1 1 A 26 26 VAL N N 26 119.266 117.870 1.396 1
1 258 . 10 1 1 A 27 27 ARG H H 27 7.922 8.530 -0.608 1
1 259 . 10 1 1 A 27 27 ARG HA H 27 4.043 4.000 0.043 1
1 266 . 10 1 1 A 27 27 ARG C C 27 177.785 179.087 -1.302 1
1 267 . 10 1 1 A 27 27 ARG CA C 27 58.683 60.167 -1.484 1
1 268 . 10 1 1 A 27 27 ARG CB C 27 29.720 30.021 -0.301 1
1 271 . 10 1 1 A 27 27 ARG N N 27 118.035 119.224 -1.189 1
1 272 . 10 1 1 A 28 28 GLN H H 28 7.707 8.973 -1.266 1
1 273 . 10 1 1 A 28 28 GLN HA H 28 4.092 4.097 -0.005 1
1 280 . 10 1 1 A 28 28 GLN C C 28 177.785 178.776 -0.991 1
1 281 . 10 1 1 A 28 28 GLN CA C 28 58.233 58.754 -0.521 1
1 282 . 10 1 1 A 28 28 GLN CB C 28 29.191 28.415 0.776 1
1 284 . 10 1 1 A 28 28 GLN N N 28 116.893 118.839 -1.946 1
1 286 . 10 1 1 A 29 29 GLU H H 29 7.864 8.682 -0.818 1
1 287 . 10 1 1 A 29 29 GLU HA H 29 4.131 4.010 0.121 1
1 292 . 10 1 1 A 29 29 GLU C C 29 176.246 176.134 0.112 1
1 293 . 10 1 1 A 29 29 GLU CA C 29 57.808 58.975 -1.167 1
1 294 . 10 1 1 A 29 29 GLU CB C 29 31.004 29.682 1.322 1
1 296 . 10 1 1 A 29 29 GLU N N 29 116.949 118.801 -1.852 1
1 297 . 10 1 1 A 30 30 HIS H H 30 8.058 8.539 -0.481 1
1 298 . 10 1 1 A 30 30 HIS HA H 30 5.071 5.092 -0.021 1
1 303 . 10 1 1 A 30 30 HIS C C 30 173.519 173.970 -0.451 1
1 304 . 10 1 1 A 30 30 HIS CA C 30 53.347 53.250 0.097 1
1 305 . 10 1 1 A 30 30 HIS CB C 30 30.649 29.800 0.849 1
1 308 . 10 1 1 A 30 30 HIS N N 30 116.711 117.023 -0.312 1
1 309 . 10 1 1 A 31 31 PRO HA H 31 4.648 4.475 0.173 1
1 316 . 10 1 1 A 31 31 PRO C C 31 178.197 178.797 -0.600 1
1 317 . 10 1 1 A 31 31 PRO CA C 31 64.911 64.998 -0.087 1
1 318 . 10 1 1 A 31 31 PRO CB C 31 32.458 32.087 0.371 1
1 321 . 10 1 1 A 32 32 ARG H H 32 8.617 8.830 -0.213 1
1 322 . 10 1 1 A 32 32 ARG HA H 32 4.406 4.113 0.293 1
1 329 . 10 1 1 A 32 32 ARG C C 32 176.815 177.425 -0.610 1
1 330 . 10 1 1 A 32 32 ARG CA C 32 55.959 58.412 -2.453 1
1 331 . 10 1 1 A 32 32 ARG CB C 32 29.808 30.001 -0.193 1
1 334 . 10 1 1 A 32 32 ARG N N 32 116.125 117.998 -1.873 1
1 335 . 10 1 1 A 33 33 LEU H H 33 7.421 7.586 -0.165 1
1 336 . 10 1 1 A 33 33 LEU HA H 33 4.409 4.220 0.189 1
1 346 . 10 1 1 A 33 33 LEU C C 33 177.349 176.210 1.139 1
1 347 . 10 1 1 A 33 33 LEU CA C 33 55.140 54.852 0.288 1
1 348 . 10 1 1 A 33 33 LEU CB C 33 43.420 42.161 1.259 1
1 352 . 10 1 1 A 33 33 LEU N N 33 120.576 120.483 0.093 1
1 353 . 10 1 1 A 34 34 ASP H H 34 8.168 9.070 -0.902 1
1 354 . 10 1 1 A 34 34 ASP HA H 34 4.646 4.630 0.016 1
1 357 . 10 1 1 A 34 34 ASP C C 34 175.821 177.341 -1.520 1
1 358 . 10 1 1 A 34 34 ASP CA C 34 52.415 55.915 -3.500 1
1 359 . 10 1 1 A 34 34 ASP CB C 34 41.177 41.097 0.080 1
1 360 . 10 1 1 A 34 34 ASP N N 34 122.502 122.404 0.098 1
1 361 . 10 1 1 A 35 35 ASN HA H 35 4.395 4.941 -0.546 1
1 366 . 10 1 1 A 35 35 ASN CA C 35 57.033 54.268 2.765 1
1 367 . 10 1 1 A 35 35 ASN CB C 35 38.344 40.526 -2.182 1
1 369 . 10 1 1 A 36 36 ARG HA H 36 4.096 4.000 0.096 1
1 376 . 10 1 1 A 36 36 ARG C C 36 179.554 179.667 -0.113 1
1 377 . 10 1 1 A 36 36 ARG CA C 36 59.527 59.129 0.398 1
1 378 . 10 1 1 A 36 36 ARG CB C 36 29.626 29.958 -0.332 1
1 381 . 10 1 1 A 37 37 GLY H H 37 8.618 8.389 0.229 1
1 382 . 10 1 1 A 37 37 GLY HA2 H 37 3.888 3.832 0.056 1
1 383 . 10 1 1 A 37 37 GLY HA3 H 37 3.754 3.834 -0.080 1
1 384 . 10 1 1 A 37 37 GLY C C 37 176.597 175.989 0.608 1
1 385 . 10 1 1 A 37 37 GLY CA C 37 47.048 47.013 0.035 1
1 386 . 10 1 1 A 37 37 GLY N N 37 110.017 108.541 1.476 1
1 387 . 10 1 1 A 38 38 ALA H H 38 8.619 7.933 0.686 1
1 388 . 10 1 1 A 38 38 ALA HA H 38 3.945 3.865 0.080 1
1 392 . 10 1 1 A 38 38 ALA C C 38 178.924 179.429 -0.505 1
1 393 . 10 1 1 A 38 38 ALA CA C 38 55.123 54.503 0.620 1
1 394 . 10 1 1 A 38 38 ALA CB C 38 18.046 18.782 -0.736 1
1 395 . 10 1 1 A 38 38 ALA N N 38 124.889 124.119 0.770 1
1 396 . 10 1 1 A 39 39 THR H H 39 8.239 8.511 -0.272 1
1 397 . 10 1 1 A 39 39 THR HA H 39 3.895 3.827 0.068 1
1 402 . 10 1 1 A 39 39 THR C C 39 175.252 176.508 -1.256 1
1 403 . 10 1 1 A 39 39 THR CA C 39 66.889 67.022 -0.133 1
1 404 . 10 1 1 A 39 39 THR CB C 39 68.607 68.785 -0.178 1
1 406 . 10 1 1 A 39 39 THR N N 39 114.810 114.774 0.036 1
1 407 . 10 1 1 A 40 40 LYS H H 40 7.518 7.982 -0.464 1
1 408 . 10 1 1 A 40 40 LYS HA H 40 4.098 3.951 0.147 1
1 417 . 10 1 1 A 40 40 LYS C C 40 178.330 179.572 -1.242 1
1 418 . 10 1 1 A 40 40 LYS CA C 40 59.746 59.820 -0.074 1
1 419 . 10 1 1 A 40 40 LYS CB C 40 32.106 32.316 -0.210 1
1 423 . 10 1 1 A 40 40 LYS N N 40 122.046 120.572 1.474 1
1 424 . 10 1 1 A 41 41 ILE H H 41 7.218 7.500 -0.282 1
1 425 . 10 1 1 A 41 41 ILE HA H 41 3.722 3.564 0.158 1
1 435 . 10 1 1 A 41 41 ILE C C 41 178.197 178.001 0.196 1
1 436 . 10 1 1 A 41 41 ILE CA C 41 64.055 65.783 -1.728 1
1 437 . 10 1 1 A 41 41 ILE CB C 41 36.482 37.699 -1.217 1
1 441 . 10 1 1 A 41 41 ILE N N 41 119.019 121.655 -2.636 1
1 442 . 10 1 1 A 42 42 LEU H H 42 7.940 8.316 -0.376 1
1 443 . 10 1 1 A 42 42 LEU HA H 42 3.988 3.802 0.186 1
1 453 . 10 1 1 A 42 42 LEU C C 42 179.251 179.017 0.234 1
1 454 . 10 1 1 A 42 42 LEU CA C 42 58.605 57.839 0.766 1
1 455 . 10 1 1 A 42 42 LEU CB C 42 41.694 41.238 0.456 1
1 459 . 10 1 1 A 42 42 LEU N N 42 119.163 118.932 0.231 1
1 460 . 10 1 1 A 43 43 ALA H H 43 8.732 8.387 0.345 1
1 461 . 10 1 1 A 43 43 ALA HA H 43 4.222 4.369 -0.147 1
1 465 . 10 1 1 A 43 43 ALA C C 43 180.899 179.261 1.638 1
1 466 . 10 1 1 A 43 43 ALA CA C 43 55.699 55.707 -0.008 1
1 467 . 10 1 1 A 43 43 ALA CB C 43 17.859 18.757 -0.898 1
1 468 . 10 1 1 A 43 43 ALA N N 43 122.225 121.433 0.792 1
1 469 . 10 1 1 A 44 44 ASP H H 44 8.350 8.179 0.171 1
1 470 . 10 1 1 A 44 44 ASP HA H 44 4.545 4.421 0.124 1
1 473 . 10 1 1 A 44 44 ASP C C 44 179.227 178.690 0.537 1
1 474 . 10 1 1 A 44 44 ASP CA C 44 57.507 57.450 0.057 1
1 475 . 10 1 1 A 44 44 ASP CB C 44 39.719 41.203 -1.484 1
1 476 . 10 1 1 A 44 44 ASP N N 44 122.950 118.392 4.558 1
1 477 . 10 1 1 A 45 45 TRP H H 45 8.831 8.472 0.359 1
1 478 . 10 1 1 A 45 45 TRP HA H 45 4.692 4.425 0.267 1
1 487 . 10 1 1 A 45 45 TRP C C 45 179.057 178.910 0.147 1
1 488 . 10 1 1 A 45 45 TRP CA C 45 58.008 59.958 -1.950 1
1 489 . 10 1 1 A 45 45 TRP CB C 45 29.520 29.681 -0.161 1
1 495 . 10 1 1 A 45 45 TRP N N 45 122.321 119.794 2.527 1
1 497 . 10 1 1 A 46 46 TRP H H 46 8.921 8.209 0.712 1
1 498 . 10 1 1 A 46 46 TRP HA H 46 3.733 3.414 0.319 1
1 507 . 10 1 1 A 46 46 TRP C C 46 177.664 178.134 -0.470 1
1 508 . 10 1 1 A 46 46 TRP CA C 46 59.279 60.608 -1.329 1
1 509 . 10 1 1 A 46 46 TRP CB C 46 30.508 29.311 1.197 1
1 515 . 10 1 1 A 46 46 TRP N N 46 120.243 121.431 -1.188 1
1 517 . 10 1 1 A 47 47 ALA H H 47 7.918 9.338 -1.420 1
1 518 . 10 1 1 A 47 47 ALA HA H 47 3.918 4.120 -0.202 1
1 522 . 10 1 1 A 47 47 ALA C C 47 179.978 178.093 1.885 1
1 523 . 10 1 1 A 47 47 ALA CA C 47 55.011 54.761 0.250 1
1 524 . 10 1 1 A 47 47 ALA CB C 47 18.581 18.577 0.004 1
1 525 . 10 1 1 A 47 47 ALA N N 47 117.935 121.210 -3.275 1
1 526 . 10 1 1 A 48 48 VAL H H 48 7.106 7.847 -0.741 1
1 527 . 10 1 1 A 48 48 VAL HA H 48 4.378 4.455 -0.077 1
1 535 . 10 1 1 A 48 48 VAL C C 48 175.627 174.552 1.075 1
1 536 . 10 1 1 A 48 48 VAL CA C 48 60.641 60.481 0.160 1
1 537 . 10 1 1 A 48 48 VAL CB C 48 31.865 31.508 0.357 1
1 540 . 10 1 1 A 48 48 VAL N N 48 107.757 107.817 -0.060 1
1 541 . 10 1 1 A 49 49 LEU H H 49 7.008 7.219 -0.211 1
1 542 . 10 1 1 A 49 49 LEU HA H 49 3.948 5.149 -1.201 1
1 552 . 10 1 1 A 49 49 LEU C C 49 176.258 173.997 2.261 1
1 553 . 10 1 1 A 49 49 LEU CA C 49 55.032 53.413 1.619 1
1 554 . 10 1 1 A 49 49 LEU CB C 49 42.822 46.139 -3.317 1
1 558 . 10 1 1 A 49 49 LEU N N 49 125.594 124.551 1.043 1
1 559 . 10 1 1 A 50 50 ASP H H 50 8.485 8.786 -0.301 1
1 560 . 10 1 1 A 50 50 ASP HA H 50 4.643 4.805 -0.162 1
1 563 . 10 1 1 A 50 50 ASP CA C 50 52.855 52.450 0.405 1
1 564 . 10 1 1 A 50 50 ASP CB C 50 42.605 40.862 1.743 1
1 565 . 10 1 1 A 51 51 PRO HA H 51 4.025 4.277 -0.252 1
1 572 . 10 1 1 A 51 51 PRO C C 51 179.166 178.887 0.279 1
1 573 . 10 1 1 A 51 51 PRO CA C 51 65.861 65.771 0.090 1
1 574 . 10 1 1 A 51 51 PRO CB C 51 32.458 31.567 0.891 1
1 577 . 10 1 1 A 52 52 LYS H H 52 8.866 8.296 0.570 1
1 578 . 10 1 1 A 52 52 LYS HA H 52 4.165 4.009 0.156 1
1 585 . 10 1 1 A 52 52 LYS C C 52 179.542 179.128 0.414 1
1 586 . 10 1 1 A 52 52 LYS CA C 52 59.484 59.558 -0.074 1
1 587 . 10 1 1 A 52 52 LYS CB C 52 31.906 32.420 -0.514 1
1 591 . 10 1 1 A 52 52 LYS N N 52 118.625 118.111 0.514 1
1 592 . 10 1 1 A 53 53 GLU H H 53 7.727 8.120 -0.393 1
1 593 . 10 1 1 A 53 53 GLU HA H 53 4.343 4.105 0.238 1
1 598 . 10 1 1 A 53 53 GLU C C 53 179.335 179.366 -0.031 1
1 599 . 10 1 1 A 53 53 GLU CA C 53 58.355 59.463 -1.108 1
1 600 . 10 1 1 A 53 53 GLU CB C 53 29.726 29.530 0.196 1
1 602 . 10 1 1 A 53 53 GLU N N 53 120.460 119.776 0.684 1
1 603 . 10 1 1 A 54 54 LYS H H 54 8.194 7.626 0.568 1
1 604 . 10 1 1 A 54 54 LYS HA H 54 3.949 4.360 -0.411 1
1 613 . 10 1 1 A 54 54 LYS C C 54 179.566 179.146 0.420 1
1 614 . 10 1 1 A 54 54 LYS CA C 54 60.920 59.997 0.923 1
1 615 . 10 1 1 A 54 54 LYS CB C 54 32.481 32.120 0.361 1
1 619 . 10 1 1 A 54 54 LYS N N 54 118.859 118.272 0.587 1
1 620 . 10 1 1 A 55 55 GLN H H 55 7.965 9.100 -1.135 1
1 621 . 10 1 1 A 55 55 GLN HA H 55 4.025 4.131 -0.106 1
1 628 . 10 1 1 A 55 55 GLN C C 55 177.154 178.386 -1.232 1
1 629 . 10 1 1 A 55 55 GLN CA C 55 58.064 58.961 -0.897 1
1 630 . 10 1 1 A 55 55 GLN CB C 55 28.163 28.920 -0.757 1
1 632 . 10 1 1 A 55 55 GLN N N 55 117.922 119.768 -1.846 1
1 634 . 10 1 1 A 56 56 LYS H H 56 7.483 8.166 -0.683 1
1 635 . 10 1 1 A 56 56 LYS HA H 56 4.205 4.122 0.083 1
1 644 . 10 1 1 A 56 56 LYS C C 56 179.772 178.148 1.624 1
1 645 . 10 1 1 A 56 56 LYS CA C 56 59.671 58.889 0.782 1
1 646 . 10 1 1 A 56 56 LYS CB C 56 31.700 31.742 -0.042 1
1 650 . 10 1 1 A 56 56 LYS N N 56 118.491 118.487 0.004 1
1 651 . 10 1 1 A 57 57 TYR H H 57 7.707 7.718 -0.011 1
1 652 . 10 1 1 A 57 57 TYR HA H 57 4.344 4.556 -0.212 1
1 659 . 10 1 1 A 57 57 TYR C C 57 177.966 178.891 -0.925 1
1 660 . 10 1 1 A 57 57 TYR CA C 57 62.784 61.002 1.782 1
1 661 . 10 1 1 A 57 57 TYR CB C 57 38.973 38.980 -0.007 1
1 666 . 10 1 1 A 57 57 TYR N N 57 117.968 119.347 -1.379 1
1 667 . 10 1 1 A 58 58 THR H H 58 8.458 9.420 -0.962 1
1 668 . 10 1 1 A 58 58 THR HA H 58 4.074 4.249 -0.175 1
1 673 . 10 1 1 A 58 58 THR C C 58 177.203 176.290 0.913 1
1 674 . 10 1 1 A 58 58 THR CA C 58 67.168 66.404 0.764 1
1 675 . 10 1 1 A 58 58 THR CB C 58 68.401 68.867 -0.466 1
1 677 . 10 1 1 A 58 58 THR N N 58 118.700 115.629 3.071 1
1 678 . 10 1 1 A 59 59 ASP H H 59 8.807 8.375 0.432 1
1 679 . 10 1 1 A 59 59 ASP HA H 59 4.514 4.404 0.110 1
1 682 . 10 1 1 A 59 59 ASP C C 59 179.154 178.508 0.646 1
1 683 . 10 1 1 A 59 59 ASP CA C 59 57.754 57.341 0.413 1
1 684 . 10 1 1 A 59 59 ASP CB C 59 39.801 41.103 -1.302 1
1 685 . 10 1 1 A 59 59 ASP N N 59 123.812 120.854 2.958 1
1 686 . 10 1 1 A 60 60 MET H H 60 8.085 7.869 0.216 1
1 687 . 10 1 1 A 60 60 MET HA H 60 4.161 4.114 0.047 1
1 695 . 10 1 1 A 60 60 MET C C 60 178.378 178.682 -0.304 1
1 696 . 10 1 1 A 60 60 MET CA C 60 58.980 59.355 -0.375 1
1 697 . 10 1 1 A 60 60 MET CB C 60 34.227 32.497 1.730 1
1 700 . 10 1 1 A 60 60 MET N N 60 120.481 118.195 2.286 1
1 701 . 10 1 1 A 61 61 ALA H H 61 8.296 8.058 0.238 1
1 702 . 10 1 1 A 61 61 ALA HA H 61 4.114 4.322 -0.208 1
1 706 . 10 1 1 A 61 61 ALA C C 61 179.408 179.705 -0.297 1
1 707 . 10 1 1 A 61 61 ALA CA C 61 54.935 55.497 -0.562 1
1 708 . 10 1 1 A 61 61 ALA CB C 61 17.759 18.314 -0.555 1
1 709 . 10 1 1 A 61 61 ALA N N 61 121.147 121.369 -0.222 1
1 710 . 10 1 1 A 62 62 LYS H H 62 7.812 8.009 -0.197 1
1 711 . 10 1 1 A 62 62 LYS HA H 62 4.177 3.942 0.235 1
1 720 . 10 1 1 A 62 62 LYS C C 62 177.979 179.379 -1.400 1
1 721 . 10 1 1 A 62 62 LYS CA C 62 59.289 59.921 -0.632 1
1 722 . 10 1 1 A 62 62 LYS CB C 62 32.539 32.395 0.144 1
1 726 . 10 1 1 A 62 62 LYS N N 62 119.686 117.975 1.711 1
1 727 . 10 1 1 A 63 63 GLU H H 63 7.810 8.185 -0.375 1
1 728 . 10 1 1 A 63 63 GLU HA H 63 4.216 4.062 0.154 1
1 733 . 10 1 1 A 63 63 GLU C C 63 178.597 179.171 -0.574 1
1 734 . 10 1 1 A 63 63 GLU CA C 63 58.386 59.158 -0.772 1
1 735 . 10 1 1 A 63 63 GLU CB C 63 29.644 29.307 0.337 1
1 737 . 10 1 1 A 63 63 GLU N N 63 118.765 118.112 0.653 1
1 738 . 10 1 1 A 64 64 TYR H H 64 8.098 8.063 0.035 1
1 739 . 10 1 1 A 64 64 TYR HA H 64 4.395 4.270 0.125 1
1 746 . 10 1 1 A 64 64 TYR C C 64 177.639 178.223 -0.584 1
1 747 . 10 1 1 A 64 64 TYR CA C 64 60.006 61.678 -1.672 1
1 748 . 10 1 1 A 64 64 TYR CB C 64 38.198 38.104 0.094 1
1 753 . 10 1 1 A 64 64 TYR N N 64 119.914 119.753 0.161 1
1 754 . 10 1 1 A 65 65 LYS H H 65 8.225 9.764 -1.539 1
1 755 . 10 1 1 A 65 65 LYS HA H 65 4.146 3.940 0.206 1
1 764 . 10 1 1 A 65 65 LYS C C 65 177.481 177.923 -0.442 1
1 765 . 10 1 1 A 65 65 LYS CA C 65 58.793 59.816 -1.023 1
1 766 . 10 1 1 A 65 65 LYS CB C 65 32.523 32.233 0.290 1
1 770 . 10 1 1 A 65 65 LYS N N 65 122.842 120.758 2.084 1
1 771 . 10 1 1 A 66 66 ASP H H 66 8.402 8.458 -0.056 1
1 772 . 10 1 1 A 66 66 ASP HA H 66 4.485 4.412 0.073 1
1 775 . 10 1 1 A 66 66 ASP C C 66 177.930 178.301 -0.371 1
1 776 . 10 1 1 A 66 66 ASP CA C 66 56.423 57.752 -1.329 1
1 777 . 10 1 1 A 66 66 ASP CB C 66 40.829 41.058 -0.229 1
1 778 . 10 1 1 A 66 66 ASP N N 66 120.424 119.405 1.019 1
1 779 . 10 1 1 A 67 67 ALA H H 67 7.989 8.277 -0.288 1
1 780 . 10 1 1 A 67 67 ALA HA H 67 4.151 4.121 0.030 1
1 784 . 10 1 1 A 67 67 ALA C C 67 179.457 179.807 -0.350 1
1 785 . 10 1 1 A 67 67 ALA CA C 67 54.274 55.080 -0.806 1
1 786 . 10 1 1 A 67 67 ALA CB C 67 18.499 18.695 -0.196 1
1 787 . 10 1 1 A 67 67 ALA N N 67 122.273 121.499 0.774 1
1 788 . 10 1 1 A 68 68 PHE H H 68 8.235 8.648 -0.413 1
1 789 . 10 1 1 A 68 68 PHE HA H 68 4.314 4.041 0.273 1
1 796 . 10 1 1 A 68 68 PHE C C 68 177.421 176.473 0.948 1
1 797 . 10 1 1 A 68 68 PHE CA C 68 60.193 61.721 -1.528 1
1 798 . 10 1 1 A 68 68 PHE CB C 68 39.390 39.602 -0.212 1
1 803 . 10 1 1 A 68 68 PHE N N 68 119.632 119.260 0.372 1
1 804 . 10 1 1 A 69 69 MET H H 69 8.325 8.789 -0.464 1
1 805 . 10 1 1 A 69 69 MET HA H 69 4.296 4.156 0.140 1
1 813 . 10 1 1 A 69 69 MET C C 69 177.651 175.919 1.732 1
1 814 . 10 1 1 A 69 69 MET CA C 69 56.645 56.287 0.358 1
1 815 . 10 1 1 A 69 69 MET CB C 69 32.108 32.480 -0.372 1
1 818 . 10 1 1 A 69 69 MET N N 69 119.223 116.574 2.649 1
1 819 . 10 1 1 A 70 70 LYS H H 70 7.864 8.787 -0.923 1
1 820 . 10 1 1 A 70 70 LYS HA H 70 4.092 4.549 -0.457 1
1 829 . 10 1 1 A 70 70 LYS C C 70 177.009 175.848 1.161 1
1 830 . 10 1 1 A 70 70 LYS CA C 70 57.769 57.588 0.181 1
1 831 . 10 1 1 A 70 70 LYS CB C 70 32.687 34.966 -2.279 1
1 835 . 10 1 1 A 70 70 LYS N N 70 120.004 126.596 -6.592 1
1 836 . 10 1 1 A 71 71 ALA H H 71 7.670 8.035 -0.365 1
1 837 . 10 1 1 A 71 71 ALA HA H 71 4.264 4.410 -0.146 1
1 841 . 10 1 1 A 71 71 ALA C C 71 177.009 175.423 1.586 1
1 842 . 10 1 1 A 71 71 ALA CA C 71 52.603 51.161 1.442 1
1 843 . 10 1 1 A 71 71 ALA CB C 71 19.321 17.960 1.361 1
1 844 . 10 1 1 A 71 71 ALA N N 71 121.270 121.912 -0.642 1
1 845 . 10 1 1 A 72 72 ASN H H 72 7.846 8.062 -0.216 1
1 846 . 10 1 1 A 72 72 ASN HA H 72 4.972 5.264 -0.292 1
1 851 . 10 1 1 A 72 72 ASN C C 72 172.453 173.212 -0.759 1
1 852 . 10 1 1 A 72 72 ASN CA C 72 51.185 49.251 1.934 1
1 853 . 10 1 1 A 72 72 ASN CB C 72 39.350 41.221 -1.871 1
1 854 . 10 1 1 A 72 72 ASN N N 72 117.432 119.019 -1.587 1
1 856 . 10 1 1 A 73 73 PRO HA H 73 4.465 4.382 0.083 1
1 863 . 10 1 1 A 73 73 PRO C C 73 177.857 177.312 0.545 1
1 864 . 10 1 1 A 73 73 PRO CA C 73 63.972 63.658 0.314 1
1 865 . 10 1 1 A 73 73 PRO CB C 73 31.884 32.381 -0.497 1
1 868 . 10 1 1 A 74 74 GLY H H 74 8.538 9.002 -0.464 1
1 869 . 10 1 1 A 74 74 GLY HA2 H 74 3.881 3.951 -0.070 1
1 870 . 10 1 1 A 74 74 GLY HA3 H 74 3.957 3.958 -0.001 1
1 871 . 10 1 1 A 74 74 GLY C C 74 174.210 173.308 0.902 1
1 872 . 10 1 1 A 74 74 GLY CA C 74 45.216 46.787 -1.571 1
1 873 . 10 1 1 A 74 74 GLY N N 74 108.444 111.165 -2.721 1
1 874 . 10 1 1 A 75 75 TYR H H 75 7.878 7.694 0.184 1
1 875 . 10 1 1 A 75 75 TYR HA H 75 4.449 4.837 -0.388 1
1 882 . 10 1 1 A 75 75 TYR C C 75 175.640 173.217 2.423 1
1 883 . 10 1 1 A 75 75 TYR CA C 75 58.778 58.130 0.648 1
1 884 . 10 1 1 A 75 75 TYR CB C 75 38.856 42.318 -3.462 1
1 889 . 10 1 1 A 75 75 TYR N N 75 120.970 119.092 1.878 1
1 890 . 10 1 1 A 76 76 ARG H H 76 8.039 8.559 -0.520 1
1 891 . 10 1 1 A 76 76 ARG HA H 76 4.346 4.729 -0.383 1
1 898 . 10 1 1 A 76 76 ARG C C 76 175.482 174.240 1.242 1
1 899 . 10 1 1 A 76 76 ARG CA C 76 55.510 53.573 1.937 1
1 900 . 10 1 1 A 76 76 ARG CB C 76 31.307 34.126 -2.819 1
1 903 . 10 1 1 A 76 76 ARG N N 76 124.540 128.074 -3.534 1
1 904 . 10 1 1 A 77 77 SER HA H 77 4.430 5.243 -0.813 1
1 907 . 10 1 1 A 77 77 SER CA C 77 58.319 56.220 2.099 1
1 908 . 10 1 1 A 77 77 SER CB C 77 63.982 65.814 -1.832 1
1 909 . 10 1 1 A 78 78 GLY HA2 H 78 4.154 4.006 0.148 1
1 910 . 10 1 1 A 78 78 GLY HA3 H 78 4.154 4.018 0.136 1
1 911 . 10 1 1 A 78 78 GLY CA C 78 44.731 44.953 -0.222 1
1 912 . 10 1 1 A 79 79 PRO HA H 79 4.495 4.523 -0.028 1
1 917 . 10 1 1 A 79 79 PRO CA C 79 63.366 62.753 0.613 1
1 918 . 10 1 1 A 79 79 PRO CB C 79 32.289 32.237 0.052 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.967 3.973 -0.006 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.967 3.974 -0.007 1
1 3 . 11 1 1 A 7 7 GLY C C 7 173.907 174.738 -0.831 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.273 45.261 0.012 1
1 5 . 11 1 1 A 8 8 ALA H H 8 8.092 8.222 -0.130 1
1 6 . 11 1 1 A 8 8 ALA HA H 8 4.335 3.975 0.360 1
1 10 . 11 1 1 A 8 8 ALA C C 8 177.772 176.006 1.766 1
1 11 . 11 1 1 A 8 8 ALA CA C 8 52.468 52.849 -0.381 1
1 12 . 11 1 1 A 8 8 ALA CB C 8 19.404 17.572 1.832 1
1 13 . 11 1 1 A 8 8 ALA N N 8 123.589 122.310 1.279 1
1 14 . 11 1 1 A 9 9 ARG H H 9 8.298 7.821 0.477 1
1 15 . 11 1 1 A 9 9 ARG HA H 9 4.348 4.731 -0.383 1
1 22 . 11 1 1 A 9 9 ARG C C 9 175.894 174.355 1.539 1
1 23 . 11 1 1 A 9 9 ARG CA C 9 55.999 55.669 0.330 1
1 24 . 11 1 1 A 9 9 ARG CB C 9 30.813 31.095 -0.282 1
1 27 . 11 1 1 A 9 9 ARG N N 9 120.366 118.585 1.781 1
1 28 . 11 1 1 A 10 10 ARG H H 10 8.212 8.620 -0.408 1
1 29 . 11 1 1 A 10 10 ARG HA H 10 4.468 4.860 -0.392 1
1 36 . 11 1 1 A 10 10 ARG C C 10 173.810 173.059 0.751 1
1 37 . 11 1 1 A 10 10 ARG CA C 10 53.783 54.677 -0.894 1
1 38 . 11 1 1 A 10 10 ARG CB C 10 30.384 32.533 -2.149 1
1 41 . 11 1 1 A 10 10 ARG N N 10 122.690 121.871 0.819 1
1 42 . 11 1 1 A 11 11 PRO HA H 11 4.322 4.326 -0.004 1
1 49 . 11 1 1 A 11 11 PRO C C 11 176.427 177.193 -0.766 1
1 50 . 11 1 1 A 11 11 PRO CA C 11 62.905 62.469 0.436 1
1 51 . 11 1 1 A 11 11 PRO CB C 11 31.929 32.421 -0.492 1
1 54 . 11 1 1 A 12 12 MET H H 12 8.237 8.194 0.043 1
1 55 . 11 1 1 A 12 12 MET HA H 12 4.441 4.203 0.238 1
1 63 . 11 1 1 A 12 12 MET C C 12 175.094 175.698 -0.604 1
1 64 . 11 1 1 A 12 12 MET CA C 12 55.400 56.048 -0.648 1
1 65 . 11 1 1 A 12 12 MET CB C 12 33.327 32.539 0.788 1
1 68 . 11 1 1 A 12 12 MET N N 12 120.543 119.482 1.061 1
1 69 . 11 1 1 A 13 13 ASN H H 13 7.399 8.665 -1.266 1
1 70 . 11 1 1 A 13 13 ASN HA H 13 4.650 4.896 -0.246 1
1 75 . 11 1 1 A 13 13 ASN C C 13 174.743 176.379 -1.636 1
1 76 . 11 1 1 A 13 13 ASN CA C 13 52.456 52.266 0.190 1
1 77 . 11 1 1 A 13 13 ASN CB C 13 39.513 39.978 -0.465 1
1 78 . 11 1 1 A 13 13 ASN N N 13 118.399 123.207 -4.808 1
1 80 . 11 1 1 A 14 14 ALA H H 14 8.681 8.874 -0.193 1
1 81 . 11 1 1 A 14 14 ALA HA H 14 3.964 4.155 -0.191 1
1 85 . 11 1 1 A 14 14 ALA C C 14 177.736 179.574 -1.838 1
1 86 . 11 1 1 A 14 14 ALA CA C 14 56.221 55.045 1.176 1
1 87 . 11 1 1 A 14 14 ALA CB C 14 19.568 18.345 1.223 1
1 88 . 11 1 1 A 14 14 ALA N N 14 122.169 125.616 -3.447 1
1 89 . 11 1 1 A 15 15 PHE H H 15 8.002 7.474 0.528 1
1 90 . 11 1 1 A 15 15 PHE HA H 15 2.866 1.863 1.003 1
1 98 . 11 1 1 A 15 15 PHE C C 15 177.821 176.493 1.328 1
1 99 . 11 1 1 A 15 15 PHE CA C 15 59.132 60.144 -1.012 1
1 100 . 11 1 1 A 15 15 PHE CB C 15 38.239 38.112 0.127 1
1 106 . 11 1 1 A 15 15 PHE N N 15 116.867 118.807 -1.940 1
1 107 . 11 1 1 A 16 16 LEU H H 16 8.264 8.060 0.204 1
1 108 . 11 1 1 A 16 16 LEU HA H 16 3.642 3.327 0.315 1
1 118 . 11 1 1 A 16 16 LEU C C 16 180.354 179.693 0.661 1
1 119 . 11 1 1 A 16 16 LEU CA C 16 58.236 57.131 1.105 1
1 120 . 11 1 1 A 16 16 LEU CB C 16 41.365 40.807 0.558 1
1 124 . 11 1 1 A 16 16 LEU N N 16 120.647 118.923 1.724 1
1 125 . 11 1 1 A 17 17 LEU H H 17 7.977 7.654 0.323 1
1 126 . 11 1 1 A 17 17 LEU HA H 17 4.065 3.929 0.136 1
1 136 . 11 1 1 A 17 17 LEU C C 17 178.984 179.022 -0.038 1
1 137 . 11 1 1 A 17 17 LEU CA C 17 58.165 57.960 0.205 1
1 138 . 11 1 1 A 17 17 LEU CB C 17 41.693 42.088 -0.395 1
1 142 . 11 1 1 A 17 17 LEU N N 17 121.855 120.373 1.482 1
1 143 . 11 1 1 A 18 18 PHE H H 18 8.136 7.951 0.185 1
1 144 . 11 1 1 A 18 18 PHE HA H 18 3.769 4.512 -0.743 1
1 150 . 11 1 1 A 18 18 PHE C C 18 179.020 178.244 0.776 1
1 151 . 11 1 1 A 18 18 PHE CA C 18 62.333 61.726 0.607 1
1 152 . 11 1 1 A 18 18 PHE CB C 18 39.122 39.200 -0.078 1
1 156 . 11 1 1 A 18 18 PHE N N 18 122.907 118.268 4.639 1
1 157 . 11 1 1 A 19 19 CYS H H 19 8.520 7.930 0.590 1
1 158 . 11 1 1 A 19 19 CYS HA H 19 3.728 4.368 -0.640 1
1 161 . 11 1 1 A 19 19 CYS C C 19 176.136 177.711 -1.575 1
1 162 . 11 1 1 A 19 19 CYS CA C 19 64.313 62.346 1.967 1
1 163 . 11 1 1 A 19 19 CYS CB C 19 26.577 26.858 -0.281 1
1 164 . 11 1 1 A 19 19 CYS N N 19 119.069 117.749 1.320 1
1 165 . 11 1 1 A 20 20 LYS H H 20 7.969 7.946 0.023 1
1 166 . 11 1 1 A 20 20 LYS HA H 20 3.953 3.993 -0.040 1
1 175 . 11 1 1 A 20 20 LYS C C 20 179.133 178.922 0.211 1
1 176 . 11 1 1 A 20 20 LYS CA C 20 59.295 58.784 0.511 1
1 177 . 11 1 1 A 20 20 LYS CB C 20 32.111 31.818 0.293 1
1 181 . 11 1 1 A 20 20 LYS N N 20 119.888 120.358 -0.470 1
1 182 . 11 1 1 A 21 21 ARG H H 21 7.493 7.802 -0.309 1
1 183 . 11 1 1 A 21 21 ARG HA H 21 4.166 4.214 -0.048 1
1 190 . 11 1 1 A 21 21 ARG C C 21 177.239 177.937 -0.698 1
1 191 . 11 1 1 A 21 21 ARG CA C 21 57.575 58.334 -0.759 1
1 192 . 11 1 1 A 21 21 ARG CB C 21 30.137 30.977 -0.840 1
1 195 . 11 1 1 A 21 21 ARG N N 21 116.105 118.755 -2.650 1
1 196 . 11 1 1 A 22 22 HIS H H 22 7.354 8.164 -0.810 1
1 197 . 11 1 1 A 22 22 HIS HA H 22 4.706 4.450 0.256 1
1 201 . 11 1 1 A 22 22 HIS C C 22 175.627 176.884 -1.257 1
1 202 . 11 1 1 A 22 22 HIS CA C 22 58.593 59.381 -0.788 1
1 203 . 11 1 1 A 22 22 HIS CB C 22 30.754 28.991 1.763 1
1 205 . 11 1 1 A 22 22 HIS N N 22 113.808 117.939 -4.131 1
1 206 . 11 1 1 A 23 23 ARG H H 23 8.372 8.048 0.324 1
1 207 . 11 1 1 A 23 23 ARG HA H 23 3.793 3.857 -0.064 1
1 214 . 11 1 1 A 23 23 ARG C C 23 177.930 178.482 -0.552 1
1 215 . 11 1 1 A 23 23 ARG CA C 23 60.747 59.600 1.147 1
1 216 . 11 1 1 A 23 23 ARG CB C 23 29.251 30.272 -1.021 1
1 219 . 11 1 1 A 23 23 ARG N N 23 123.560 121.025 2.535 1
1 220 . 11 1 1 A 24 24 SER HA H 24 4.163 4.197 -0.034 1
1 223 . 11 1 1 A 24 24 SER CA C 24 61.523 61.484 0.039 1
1 224 . 11 1 1 A 24 24 SER CB C 24 62.116 62.949 -0.833 1
1 225 . 11 1 1 A 25 25 LEU H H 25 7.504 8.097 -0.593 1
1 226 . 11 1 1 A 25 25 LEU HA H 25 4.265 4.055 0.210 1
1 236 . 11 1 1 A 25 25 LEU C C 25 179.336 178.667 0.669 1
1 237 . 11 1 1 A 25 25 LEU CA C 25 57.837 58.377 -0.540 1
1 238 . 11 1 1 A 25 25 LEU CB C 25 41.470 42.158 -0.688 1
1 242 . 11 1 1 A 25 25 LEU N N 25 124.174 123.288 0.886 1
1 243 . 11 1 1 A 26 26 VAL H H 26 7.802 8.312 -0.510 1
1 244 . 11 1 1 A 26 26 VAL HA H 26 3.833 3.408 0.425 1
1 252 . 11 1 1 A 26 26 VAL C C 26 177.712 177.844 -0.132 1
1 253 . 11 1 1 A 26 26 VAL CA C 26 66.662 67.087 -0.425 1
1 254 . 11 1 1 A 26 26 VAL CB C 26 31.670 31.198 0.472 1
1 257 . 11 1 1 A 26 26 VAL N N 26 119.266 119.374 -0.108 1
1 258 . 11 1 1 A 27 27 ARG H H 27 7.922 8.615 -0.693 1
1 259 . 11 1 1 A 27 27 ARG HA H 27 4.043 3.972 0.071 1
1 266 . 11 1 1 A 27 27 ARG C C 27 177.785 179.254 -1.469 1
1 267 . 11 1 1 A 27 27 ARG CA C 27 58.683 60.312 -1.629 1
1 268 . 11 1 1 A 27 27 ARG CB C 27 29.720 29.905 -0.185 1
1 271 . 11 1 1 A 27 27 ARG N N 27 118.035 118.979 -0.944 1
1 272 . 11 1 1 A 28 28 GLN H H 28 7.707 8.437 -0.730 1
1 273 . 11 1 1 A 28 28 GLN HA H 28 4.092 4.058 0.034 1
1 280 . 11 1 1 A 28 28 GLN C C 28 177.785 178.878 -1.093 1
1 281 . 11 1 1 A 28 28 GLN CA C 28 58.233 58.722 -0.489 1
1 282 . 11 1 1 A 28 28 GLN CB C 28 29.191 28.443 0.748 1
1 284 . 11 1 1 A 28 28 GLN N N 28 116.893 118.615 -1.722 1
1 286 . 11 1 1 A 29 29 GLU H H 29 7.864 8.471 -0.607 1
1 287 . 11 1 1 A 29 29 GLU HA H 29 4.131 4.045 0.086 1
1 292 . 11 1 1 A 29 29 GLU C C 29 176.246 176.157 0.089 1
1 293 . 11 1 1 A 29 29 GLU CA C 29 57.808 58.679 -0.871 1
1 294 . 11 1 1 A 29 29 GLU CB C 29 31.004 29.377 1.627 1
1 296 . 11 1 1 A 29 29 GLU N N 29 116.949 119.411 -2.462 1
1 297 . 11 1 1 A 30 30 HIS H H 30 8.058 8.086 -0.028 1
1 298 . 11 1 1 A 30 30 HIS HA H 30 5.071 5.103 -0.032 1
1 303 . 11 1 1 A 30 30 HIS C C 30 173.519 173.958 -0.439 1
1 304 . 11 1 1 A 30 30 HIS CA C 30 53.347 53.322 0.025 1
1 305 . 11 1 1 A 30 30 HIS CB C 30 30.649 29.664 0.985 1
1 308 . 11 1 1 A 30 30 HIS N N 30 116.711 116.879 -0.168 1
1 309 . 11 1 1 A 31 31 PRO HA H 31 4.648 4.414 0.234 1
1 316 . 11 1 1 A 31 31 PRO C C 31 178.197 178.162 0.035 1
1 317 . 11 1 1 A 31 31 PRO CA C 31 64.911 64.436 0.475 1
1 318 . 11 1 1 A 31 31 PRO CB C 31 32.458 32.032 0.426 1
1 321 . 11 1 1 A 32 32 ARG H H 32 8.617 8.595 0.022 1
1 322 . 11 1 1 A 32 32 ARG HA H 32 4.406 4.112 0.294 1
1 329 . 11 1 1 A 32 32 ARG C C 32 176.815 177.414 -0.599 1
1 330 . 11 1 1 A 32 32 ARG CA C 32 55.959 58.335 -2.376 1
1 331 . 11 1 1 A 32 32 ARG CB C 32 29.808 30.537 -0.729 1
1 334 . 11 1 1 A 32 32 ARG N N 32 116.125 117.902 -1.777 1
1 335 . 11 1 1 A 33 33 LEU H H 33 7.421 7.392 0.029 1
1 336 . 11 1 1 A 33 33 LEU HA H 33 4.409 4.320 0.089 1
1 346 . 11 1 1 A 33 33 LEU C C 33 177.349 176.449 0.900 1
1 347 . 11 1 1 A 33 33 LEU CA C 33 55.140 54.503 0.637 1
1 348 . 11 1 1 A 33 33 LEU CB C 33 43.420 42.260 1.160 1
1 352 . 11 1 1 A 33 33 LEU N N 33 120.576 120.856 -0.280 1
1 353 . 11 1 1 A 34 34 ASP H H 34 8.168 9.174 -1.006 1
1 354 . 11 1 1 A 34 34 ASP HA H 34 4.646 4.740 -0.094 1
1 357 . 11 1 1 A 34 34 ASP C C 34 175.821 176.800 -0.979 1
1 358 . 11 1 1 A 34 34 ASP CA C 34 52.415 55.860 -3.445 1
1 359 . 11 1 1 A 34 34 ASP CB C 34 41.177 42.289 -1.112 1
1 360 . 11 1 1 A 34 34 ASP N N 34 122.502 122.544 -0.042 1
1 361 . 11 1 1 A 35 35 ASN HA H 35 4.395 4.861 -0.466 1
1 366 . 11 1 1 A 35 35 ASN CA C 35 57.033 54.279 2.754 1
1 367 . 11 1 1 A 35 35 ASN CB C 35 38.344 41.462 -3.118 1
1 369 . 11 1 1 A 36 36 ARG HA H 36 4.096 4.041 0.055 1
1 376 . 11 1 1 A 36 36 ARG C C 36 179.554 179.784 -0.230 1
1 377 . 11 1 1 A 36 36 ARG CA C 36 59.527 59.126 0.401 1
1 378 . 11 1 1 A 36 36 ARG CB C 36 29.626 30.046 -0.420 1
1 381 . 11 1 1 A 37 37 GLY H H 37 8.618 8.194 0.424 1
1 382 . 11 1 1 A 37 37 GLY HA2 H 37 3.888 3.743 0.145 1
1 383 . 11 1 1 A 37 37 GLY HA3 H 37 3.754 3.743 0.011 1
1 384 . 11 1 1 A 37 37 GLY C C 37 176.597 175.748 0.849 1
1 385 . 11 1 1 A 37 37 GLY CA C 37 47.048 46.993 0.055 1
1 386 . 11 1 1 A 37 37 GLY N N 37 110.017 108.913 1.104 1
1 387 . 11 1 1 A 38 38 ALA H H 38 8.619 7.945 0.674 1
1 388 . 11 1 1 A 38 38 ALA HA H 38 3.945 3.943 0.002 1
1 392 . 11 1 1 A 38 38 ALA C C 38 178.924 178.933 -0.009 1
1 393 . 11 1 1 A 38 38 ALA CA C 38 55.123 54.331 0.792 1
1 394 . 11 1 1 A 38 38 ALA CB C 38 18.046 18.358 -0.312 1
1 395 . 11 1 1 A 38 38 ALA N N 38 124.889 124.559 0.330 1
1 396 . 11 1 1 A 39 39 THR H H 39 8.239 7.487 0.752 1
1 397 . 11 1 1 A 39 39 THR HA H 39 3.895 4.034 -0.139 1
1 402 . 11 1 1 A 39 39 THR C C 39 175.252 175.824 -0.572 1
1 403 . 11 1 1 A 39 39 THR CA C 39 66.889 66.101 0.788 1
1 404 . 11 1 1 A 39 39 THR CB C 39 68.607 68.562 0.045 1
1 406 . 11 1 1 A 39 39 THR N N 39 114.810 113.301 1.509 1
1 407 . 11 1 1 A 40 40 LYS H H 40 7.518 8.667 -1.149 1
1 408 . 11 1 1 A 40 40 LYS HA H 40 4.098 4.179 -0.081 1
1 417 . 11 1 1 A 40 40 LYS C C 40 178.330 178.191 0.139 1
1 418 . 11 1 1 A 40 40 LYS CA C 40 59.746 58.225 1.521 1
1 419 . 11 1 1 A 40 40 LYS CB C 40 32.106 32.245 -0.139 1
1 423 . 11 1 1 A 40 40 LYS N N 40 122.046 121.149 0.897 1
1 424 . 11 1 1 A 41 41 ILE H H 41 7.218 7.268 -0.050 1
1 425 . 11 1 1 A 41 41 ILE HA H 41 3.722 3.886 -0.164 1
1 435 . 11 1 1 A 41 41 ILE C C 41 178.197 178.211 -0.014 1
1 436 . 11 1 1 A 41 41 ILE CA C 41 64.055 63.175 0.880 1
1 437 . 11 1 1 A 41 41 ILE CB C 41 36.482 37.543 -1.061 1
1 441 . 11 1 1 A 41 41 ILE N N 41 119.019 118.829 0.190 1
1 442 . 11 1 1 A 42 42 LEU H H 42 7.940 7.564 0.376 1
1 443 . 11 1 1 A 42 42 LEU HA H 42 3.988 4.073 -0.085 1
1 453 . 11 1 1 A 42 42 LEU C C 42 179.251 179.150 0.101 1
1 454 . 11 1 1 A 42 42 LEU CA C 42 58.605 57.792 0.813 1
1 455 . 11 1 1 A 42 42 LEU CB C 42 41.694 40.834 0.860 1
1 459 . 11 1 1 A 42 42 LEU N N 42 119.163 122.050 -2.887 1
1 460 . 11 1 1 A 43 43 ALA H H 43 8.732 8.137 0.595 1
1 461 . 11 1 1 A 43 43 ALA HA H 43 4.222 4.132 0.090 1
1 465 . 11 1 1 A 43 43 ALA C C 43 180.899 179.589 1.310 1
1 466 . 11 1 1 A 43 43 ALA CA C 43 55.699 55.596 0.103 1
1 467 . 11 1 1 A 43 43 ALA CB C 43 17.859 18.607 -0.748 1
1 468 . 11 1 1 A 43 43 ALA N N 43 122.225 121.867 0.358 1
1 469 . 11 1 1 A 44 44 ASP H H 44 8.350 8.498 -0.148 1
1 470 . 11 1 1 A 44 44 ASP HA H 44 4.545 4.347 0.198 1
1 473 . 11 1 1 A 44 44 ASP C C 44 179.227 178.613 0.614 1
1 474 . 11 1 1 A 44 44 ASP CA C 44 57.507 57.423 0.084 1
1 475 . 11 1 1 A 44 44 ASP CB C 44 39.719 40.873 -1.154 1
1 476 . 11 1 1 A 44 44 ASP N N 44 122.950 118.930 4.020 1
1 477 . 11 1 1 A 45 45 TRP H H 45 8.831 8.117 0.714 1
1 478 . 11 1 1 A 45 45 TRP HA H 45 4.692 4.394 0.298 1
1 487 . 11 1 1 A 45 45 TRP C C 45 179.057 178.811 0.246 1
1 488 . 11 1 1 A 45 45 TRP CA C 45 58.008 59.903 -1.895 1
1 489 . 11 1 1 A 45 45 TRP CB C 45 29.520 29.578 -0.058 1
1 495 . 11 1 1 A 45 45 TRP N N 45 122.321 120.079 2.242 1
1 497 . 11 1 1 A 46 46 TRP H H 46 8.921 8.365 0.556 1
1 498 . 11 1 1 A 46 46 TRP HA H 46 3.733 3.579 0.154 1
1 507 . 11 1 1 A 46 46 TRP C C 46 177.664 177.764 -0.100 1
1 508 . 11 1 1 A 46 46 TRP CA C 46 59.279 60.559 -1.280 1
1 509 . 11 1 1 A 46 46 TRP CB C 46 30.508 29.496 1.012 1
1 515 . 11 1 1 A 46 46 TRP N N 46 120.243 121.356 -1.113 1
1 517 . 11 1 1 A 47 47 ALA H H 47 7.918 9.194 -1.276 1
1 518 . 11 1 1 A 47 47 ALA HA H 47 3.918 3.997 -0.079 1
1 522 . 11 1 1 A 47 47 ALA C C 47 179.978 178.064 1.914 1
1 523 . 11 1 1 A 47 47 ALA CA C 47 55.011 54.967 0.044 1
1 524 . 11 1 1 A 47 47 ALA CB C 47 18.581 18.597 -0.016 1
1 525 . 11 1 1 A 47 47 ALA N N 47 117.935 120.778 -2.843 1
1 526 . 11 1 1 A 48 48 VAL H H 48 7.106 7.459 -0.353 1
1 527 . 11 1 1 A 48 48 VAL HA H 48 4.378 4.403 -0.025 1
1 535 . 11 1 1 A 48 48 VAL C C 48 175.627 174.478 1.149 1
1 536 . 11 1 1 A 48 48 VAL CA C 48 60.641 60.362 0.279 1
1 537 . 11 1 1 A 48 48 VAL CB C 48 31.865 31.454 0.411 1
1 540 . 11 1 1 A 48 48 VAL N N 48 107.757 108.248 -0.491 1
1 541 . 11 1 1 A 49 49 LEU H H 49 7.008 7.396 -0.388 1
1 542 . 11 1 1 A 49 49 LEU HA H 49 3.948 4.942 -0.994 1
1 552 . 11 1 1 A 49 49 LEU C C 49 176.258 174.357 1.901 1
1 553 . 11 1 1 A 49 49 LEU CA C 49 55.032 53.387 1.645 1
1 554 . 11 1 1 A 49 49 LEU CB C 49 42.822 45.357 -2.535 1
1 558 . 11 1 1 A 49 49 LEU N N 49 125.594 124.549 1.045 1
1 559 . 11 1 1 A 50 50 ASP H H 50 8.485 8.683 -0.198 1
1 560 . 11 1 1 A 50 50 ASP HA H 50 4.643 4.696 -0.053 1
1 563 . 11 1 1 A 50 50 ASP CA C 50 52.855 52.862 -0.007 1
1 564 . 11 1 1 A 50 50 ASP CB C 50 42.605 40.821 1.784 1
1 565 . 11 1 1 A 51 51 PRO HA H 51 4.025 4.207 -0.182 1
1 572 . 11 1 1 A 51 51 PRO C C 51 179.166 178.829 0.337 1
1 573 . 11 1 1 A 51 51 PRO CA C 51 65.861 65.522 0.339 1
1 574 . 11 1 1 A 51 51 PRO CB C 51 32.458 31.568 0.890 1
1 577 . 11 1 1 A 52 52 LYS H H 52 8.866 8.228 0.638 1
1 578 . 11 1 1 A 52 52 LYS HA H 52 4.165 4.007 0.158 1
1 585 . 11 1 1 A 52 52 LYS C C 52 179.542 179.234 0.308 1
1 586 . 11 1 1 A 52 52 LYS CA C 52 59.484 59.410 0.074 1
1 587 . 11 1 1 A 52 52 LYS CB C 52 31.906 32.344 -0.438 1
1 591 . 11 1 1 A 52 52 LYS N N 52 118.625 118.110 0.515 1
1 592 . 11 1 1 A 53 53 GLU H H 53 7.727 8.497 -0.770 1
1 593 . 11 1 1 A 53 53 GLU HA H 53 4.343 4.105 0.238 1
1 598 . 11 1 1 A 53 53 GLU C C 53 179.335 179.465 -0.130 1
1 599 . 11 1 1 A 53 53 GLU CA C 53 58.355 59.569 -1.214 1
1 600 . 11 1 1 A 53 53 GLU CB C 53 29.726 29.314 0.412 1
1 602 . 11 1 1 A 53 53 GLU N N 53 120.460 119.934 0.526 1
1 603 . 11 1 1 A 54 54 LYS H H 54 8.194 7.594 0.600 1
1 604 . 11 1 1 A 54 54 LYS HA H 54 3.949 4.384 -0.435 1
1 613 . 11 1 1 A 54 54 LYS C C 54 179.566 179.252 0.314 1
1 614 . 11 1 1 A 54 54 LYS CA C 54 60.920 60.233 0.687 1
1 615 . 11 1 1 A 54 54 LYS CB C 54 32.481 32.129 0.352 1
1 619 . 11 1 1 A 54 54 LYS N N 54 118.859 118.650 0.209 1
1 620 . 11 1 1 A 55 55 GLN H H 55 7.965 9.115 -1.150 1
1 621 . 11 1 1 A 55 55 GLN HA H 55 4.025 4.063 -0.038 1
1 628 . 11 1 1 A 55 55 GLN C C 55 177.154 177.937 -0.783 1
1 629 . 11 1 1 A 55 55 GLN CA C 55 58.064 58.986 -0.922 1
1 630 . 11 1 1 A 55 55 GLN CB C 55 28.163 28.763 -0.600 1
1 632 . 11 1 1 A 55 55 GLN N N 55 117.922 119.728 -1.806 1
1 634 . 11 1 1 A 56 56 LYS H H 56 7.483 7.681 -0.198 1
1 635 . 11 1 1 A 56 56 LYS HA H 56 4.205 4.043 0.162 1
1 644 . 11 1 1 A 56 56 LYS C C 56 179.772 178.413 1.359 1
1 645 . 11 1 1 A 56 56 LYS CA C 56 59.671 59.355 0.316 1
1 646 . 11 1 1 A 56 56 LYS CB C 56 31.700 31.969 -0.269 1
1 650 . 11 1 1 A 56 56 LYS N N 56 118.491 119.397 -0.906 1
1 651 . 11 1 1 A 57 57 TYR H H 57 7.707 8.235 -0.528 1
1 652 . 11 1 1 A 57 57 TYR HA H 57 4.344 4.464 -0.120 1
1 659 . 11 1 1 A 57 57 TYR C C 57 177.966 178.532 -0.566 1
1 660 . 11 1 1 A 57 57 TYR CA C 57 62.784 60.052 2.732 1
1 661 . 11 1 1 A 57 57 TYR CB C 57 38.973 38.537 0.436 1
1 666 . 11 1 1 A 57 57 TYR N N 57 117.968 119.598 -1.630 1
1 667 . 11 1 1 A 58 58 THR H H 58 8.458 9.635 -1.177 1
1 668 . 11 1 1 A 58 58 THR HA H 58 4.074 4.060 0.014 1
1 673 . 11 1 1 A 58 58 THR C C 58 177.203 175.905 1.298 1
1 674 . 11 1 1 A 58 58 THR CA C 58 67.168 67.360 -0.192 1
1 675 . 11 1 1 A 58 58 THR CB C 58 68.401 68.639 -0.238 1
1 677 . 11 1 1 A 58 58 THR N N 58 118.700 115.743 2.957 1
1 678 . 11 1 1 A 59 59 ASP H H 59 8.807 8.484 0.323 1
1 679 . 11 1 1 A 59 59 ASP HA H 59 4.514 4.324 0.190 1
1 682 . 11 1 1 A 59 59 ASP C C 59 179.154 178.611 0.543 1
1 683 . 11 1 1 A 59 59 ASP CA C 59 57.754 57.729 0.025 1
1 684 . 11 1 1 A 59 59 ASP CB C 59 39.801 41.607 -1.806 1
1 685 . 11 1 1 A 59 59 ASP N N 59 123.812 121.620 2.192 1
1 686 . 11 1 1 A 60 60 MET H H 60 8.085 8.301 -0.216 1
1 687 . 11 1 1 A 60 60 MET HA H 60 4.161 4.176 -0.015 1
1 695 . 11 1 1 A 60 60 MET C C 60 178.378 178.465 -0.087 1
1 696 . 11 1 1 A 60 60 MET CA C 60 58.980 59.189 -0.209 1
1 697 . 11 1 1 A 60 60 MET CB C 60 34.227 32.599 1.628 1
1 700 . 11 1 1 A 60 60 MET N N 60 120.481 118.319 2.162 1
1 701 . 11 1 1 A 61 61 ALA H H 61 8.296 8.155 0.141 1
1 702 . 11 1 1 A 61 61 ALA HA H 61 4.114 4.250 -0.136 1
1 706 . 11 1 1 A 61 61 ALA C C 61 179.408 179.422 -0.014 1
1 707 . 11 1 1 A 61 61 ALA CA C 61 54.935 55.494 -0.559 1
1 708 . 11 1 1 A 61 61 ALA CB C 61 17.759 18.534 -0.775 1
1 709 . 11 1 1 A 61 61 ALA N N 61 121.147 121.352 -0.205 1
1 710 . 11 1 1 A 62 62 LYS H H 62 7.812 8.979 -1.167 1
1 711 . 11 1 1 A 62 62 LYS HA H 62 4.177 4.087 0.090 1
1 720 . 11 1 1 A 62 62 LYS C C 62 177.979 178.308 -0.329 1
1 721 . 11 1 1 A 62 62 LYS CA C 62 59.289 59.635 -0.346 1
1 722 . 11 1 1 A 62 62 LYS CB C 62 32.539 32.188 0.351 1
1 726 . 11 1 1 A 62 62 LYS N N 62 119.686 118.078 1.608 1
1 727 . 11 1 1 A 63 63 GLU H H 63 7.810 8.046 -0.236 1
1 728 . 11 1 1 A 63 63 GLU HA H 63 4.216 4.062 0.154 1
1 733 . 11 1 1 A 63 63 GLU C C 63 178.597 178.840 -0.243 1
1 734 . 11 1 1 A 63 63 GLU CA C 63 58.386 59.165 -0.779 1
1 735 . 11 1 1 A 63 63 GLU CB C 63 29.644 29.794 -0.150 1
1 737 . 11 1 1 A 63 63 GLU N N 63 118.765 119.710 -0.945 1
1 738 . 11 1 1 A 64 64 TYR H H 64 8.098 8.571 -0.473 1
1 739 . 11 1 1 A 64 64 TYR HA H 64 4.395 4.327 0.068 1
1 746 . 11 1 1 A 64 64 TYR C C 64 177.639 178.233 -0.594 1
1 747 . 11 1 1 A 64 64 TYR CA C 64 60.006 61.767 -1.761 1
1 748 . 11 1 1 A 64 64 TYR CB C 64 38.198 37.993 0.205 1
1 753 . 11 1 1 A 64 64 TYR N N 64 119.914 119.862 0.052 1
1 754 . 11 1 1 A 65 65 LYS H H 65 8.225 9.780 -1.555 1
1 755 . 11 1 1 A 65 65 LYS HA H 65 4.146 4.065 0.081 1
1 764 . 11 1 1 A 65 65 LYS C C 65 177.481 178.123 -0.642 1
1 765 . 11 1 1 A 65 65 LYS CA C 65 58.793 59.823 -1.030 1
1 766 . 11 1 1 A 65 65 LYS CB C 65 32.523 32.192 0.331 1
1 770 . 11 1 1 A 65 65 LYS N N 65 122.842 121.312 1.530 1
1 771 . 11 1 1 A 66 66 ASP H H 66 8.402 8.122 0.280 1
1 772 . 11 1 1 A 66 66 ASP HA H 66 4.485 4.316 0.169 1
1 775 . 11 1 1 A 66 66 ASP C C 66 177.930 178.403 -0.473 1
1 776 . 11 1 1 A 66 66 ASP CA C 66 56.423 57.806 -1.383 1
1 777 . 11 1 1 A 66 66 ASP CB C 66 40.829 41.167 -0.338 1
1 778 . 11 1 1 A 66 66 ASP N N 66 120.424 119.306 1.118 1
1 779 . 11 1 1 A 67 67 ALA H H 67 7.989 8.374 -0.385 1
1 780 . 11 1 1 A 67 67 ALA HA H 67 4.151 4.146 0.005 1
1 784 . 11 1 1 A 67 67 ALA C C 67 179.457 179.840 -0.383 1
1 785 . 11 1 1 A 67 67 ALA CA C 67 54.274 55.106 -0.832 1
1 786 . 11 1 1 A 67 67 ALA CB C 67 18.499 18.860 -0.361 1
1 787 . 11 1 1 A 67 67 ALA N N 67 122.273 121.754 0.519 1
1 788 . 11 1 1 A 68 68 PHE H H 68 8.235 8.877 -0.642 1
1 789 . 11 1 1 A 68 68 PHE HA H 68 4.314 4.064 0.250 1
1 796 . 11 1 1 A 68 68 PHE C C 68 177.421 176.442 0.979 1
1 797 . 11 1 1 A 68 68 PHE CA C 68 60.193 61.832 -1.639 1
1 798 . 11 1 1 A 68 68 PHE CB C 68 39.390 39.382 0.008 1
1 803 . 11 1 1 A 68 68 PHE N N 68 119.632 119.439 0.193 1
1 804 . 11 1 1 A 69 69 MET H H 69 8.325 8.464 -0.139 1
1 805 . 11 1 1 A 69 69 MET HA H 69 4.296 4.231 0.065 1
1 813 . 11 1 1 A 69 69 MET C C 69 177.651 176.463 1.188 1
1 814 . 11 1 1 A 69 69 MET CA C 69 56.645 55.979 0.666 1
1 815 . 11 1 1 A 69 69 MET CB C 69 32.108 32.684 -0.576 1
1 818 . 11 1 1 A 69 69 MET N N 69 119.223 116.197 3.026 1
1 819 . 11 1 1 A 70 70 LYS H H 70 7.864 8.190 -0.326 1
1 820 . 11 1 1 A 70 70 LYS HA H 70 4.092 4.530 -0.438 1
1 829 . 11 1 1 A 70 70 LYS C C 70 177.009 176.044 0.965 1
1 830 . 11 1 1 A 70 70 LYS CA C 70 57.769 57.003 0.766 1
1 831 . 11 1 1 A 70 70 LYS CB C 70 32.687 34.315 -1.628 1
1 835 . 11 1 1 A 70 70 LYS N N 70 120.004 118.599 1.405 1
1 836 . 11 1 1 A 71 71 ALA H H 71 7.670 8.209 -0.539 1
1 837 . 11 1 1 A 71 71 ALA HA H 71 4.264 4.418 -0.154 1
1 841 . 11 1 1 A 71 71 ALA C C 71 177.009 175.445 1.564 1
1 842 . 11 1 1 A 71 71 ALA CA C 71 52.603 51.484 1.119 1
1 843 . 11 1 1 A 71 71 ALA CB C 71 19.321 17.665 1.656 1
1 844 . 11 1 1 A 71 71 ALA N N 71 121.270 121.950 -0.680 1
1 845 . 11 1 1 A 72 72 ASN H H 72 7.846 7.709 0.137 1
1 846 . 11 1 1 A 72 72 ASN HA H 72 4.972 5.219 -0.247 1
1 851 . 11 1 1 A 72 72 ASN C C 72 172.453 173.413 -0.960 1
1 852 . 11 1 1 A 72 72 ASN CA C 72 51.185 50.046 1.139 1
1 853 . 11 1 1 A 72 72 ASN CB C 72 39.350 40.021 -0.671 1
1 854 . 11 1 1 A 72 72 ASN N N 72 117.432 118.679 -1.247 1
1 856 . 11 1 1 A 73 73 PRO HA H 73 4.465 4.531 -0.066 1
1 863 . 11 1 1 A 73 73 PRO C C 73 177.857 177.627 0.230 1
1 864 . 11 1 1 A 73 73 PRO CA C 73 63.972 62.978 0.994 1
1 865 . 11 1 1 A 73 73 PRO CB C 73 31.884 30.116 1.768 1
1 868 . 11 1 1 A 74 74 GLY H H 74 8.538 8.251 0.287 1
1 869 . 11 1 1 A 74 74 GLY HA2 H 74 3.881 4.103 -0.222 1
1 870 . 11 1 1 A 74 74 GLY HA3 H 74 3.957 4.108 -0.151 1
1 871 . 11 1 1 A 74 74 GLY C C 74 174.210 173.307 0.903 1
1 872 . 11 1 1 A 74 74 GLY CA C 74 45.216 45.487 -0.271 1
1 873 . 11 1 1 A 74 74 GLY N N 74 108.444 112.966 -4.522 1
1 874 . 11 1 1 A 75 75 TYR H H 75 7.878 7.797 0.081 1
1 875 . 11 1 1 A 75 75 TYR HA H 75 4.449 5.041 -0.592 1
1 882 . 11 1 1 A 75 75 TYR C C 75 175.640 173.650 1.990 1
1 883 . 11 1 1 A 75 75 TYR CA C 75 58.778 57.536 1.242 1
1 884 . 11 1 1 A 75 75 TYR CB C 75 38.856 42.283 -3.427 1
1 889 . 11 1 1 A 75 75 TYR N N 75 120.970 120.055 0.915 1
1 890 . 11 1 1 A 76 76 ARG H H 76 8.039 9.041 -1.002 1
1 891 . 11 1 1 A 76 76 ARG HA H 76 4.346 4.766 -0.420 1
1 898 . 11 1 1 A 76 76 ARG C C 76 175.482 173.700 1.782 1
1 899 . 11 1 1 A 76 76 ARG CA C 76 55.510 53.767 1.743 1
1 900 . 11 1 1 A 76 76 ARG CB C 76 31.307 34.129 -2.822 1
1 903 . 11 1 1 A 76 76 ARG N N 76 124.540 125.373 -0.833 1
1 904 . 11 1 1 A 77 77 SER HA H 77 4.430 5.297 -0.867 1
1 907 . 11 1 1 A 77 77 SER CA C 77 58.319 56.581 1.738 1
1 908 . 11 1 1 A 77 77 SER CB C 77 63.982 64.998 -1.016 1
1 909 . 11 1 1 A 78 78 GLY HA2 H 78 4.154 4.132 0.022 1
1 910 . 11 1 1 A 78 78 GLY HA3 H 78 4.154 4.149 0.005 1
1 911 . 11 1 1 A 78 78 GLY CA C 78 44.731 43.986 0.745 1
1 912 . 11 1 1 A 79 79 PRO HA H 79 4.495 4.692 -0.197 1
1 917 . 11 1 1 A 79 79 PRO CA C 79 63.366 62.600 0.766 1
1 918 . 11 1 1 A 79 79 PRO CB C 79 32.289 33.074 -0.785 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.967 4.318 -0.351 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.967 4.326 -0.359 1
1 3 . 12 1 1 A 7 7 GLY C C 7 173.907 173.235 0.672 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.273 45.518 -0.245 1
1 5 . 12 1 1 A 8 8 ALA H H 8 8.092 8.539 -0.447 1
1 6 . 12 1 1 A 8 8 ALA HA H 8 4.335 4.060 0.275 1
1 10 . 12 1 1 A 8 8 ALA C C 8 177.772 176.364 1.408 1
1 11 . 12 1 1 A 8 8 ALA CA C 8 52.468 54.326 -1.858 1
1 12 . 12 1 1 A 8 8 ALA CB C 8 19.404 18.096 1.308 1
1 13 . 12 1 1 A 8 8 ALA N N 8 123.589 122.628 0.961 1
1 14 . 12 1 1 A 9 9 ARG H H 9 8.298 8.649 -0.351 1
1 15 . 12 1 1 A 9 9 ARG HA H 9 4.348 4.595 -0.247 1
1 22 . 12 1 1 A 9 9 ARG C C 9 175.894 176.051 -0.157 1
1 23 . 12 1 1 A 9 9 ARG CA C 9 55.999 56.132 -0.133 1
1 24 . 12 1 1 A 9 9 ARG CB C 9 30.813 30.661 0.152 1
1 27 . 12 1 1 A 9 9 ARG N N 9 120.366 121.536 -1.170 1
1 28 . 12 1 1 A 10 10 ARG H H 10 8.212 8.464 -0.252 1
1 29 . 12 1 1 A 10 10 ARG HA H 10 4.468 4.841 -0.373 1
1 36 . 12 1 1 A 10 10 ARG C C 10 173.810 173.228 0.582 1
1 37 . 12 1 1 A 10 10 ARG CA C 10 53.783 53.344 0.439 1
1 38 . 12 1 1 A 10 10 ARG CB C 10 30.384 34.349 -3.965 1
1 41 . 12 1 1 A 10 10 ARG N N 10 122.690 123.456 -0.766 1
1 42 . 12 1 1 A 11 11 PRO HA H 11 4.322 4.094 0.228 1
1 49 . 12 1 1 A 11 11 PRO C C 11 176.427 177.024 -0.597 1
1 50 . 12 1 1 A 11 11 PRO CA C 11 62.905 62.317 0.588 1
1 51 . 12 1 1 A 11 11 PRO CB C 11 31.929 32.198 -0.269 1
1 54 . 12 1 1 A 12 12 MET H H 12 8.237 8.161 0.076 1
1 55 . 12 1 1 A 12 12 MET HA H 12 4.441 4.316 0.125 1
1 63 . 12 1 1 A 12 12 MET C C 12 175.094 176.507 -1.413 1
1 64 . 12 1 1 A 12 12 MET CA C 12 55.400 55.251 0.149 1
1 65 . 12 1 1 A 12 12 MET CB C 12 33.327 32.792 0.535 1
1 68 . 12 1 1 A 12 12 MET N N 12 120.543 119.347 1.196 1
1 69 . 12 1 1 A 13 13 ASN H H 13 7.399 8.230 -0.831 1
1 70 . 12 1 1 A 13 13 ASN HA H 13 4.650 5.033 -0.383 1
1 75 . 12 1 1 A 13 13 ASN C C 13 174.743 176.002 -1.259 1
1 76 . 12 1 1 A 13 13 ASN CA C 13 52.456 50.739 1.717 1
1 77 . 12 1 1 A 13 13 ASN CB C 13 39.513 39.720 -0.207 1
1 78 . 12 1 1 A 13 13 ASN N N 13 118.399 119.156 -0.757 1
1 80 . 12 1 1 A 14 14 ALA H H 14 8.681 8.731 -0.050 1
1 81 . 12 1 1 A 14 14 ALA HA H 14 3.964 4.118 -0.154 1
1 85 . 12 1 1 A 14 14 ALA C C 14 177.736 178.994 -1.258 1
1 86 . 12 1 1 A 14 14 ALA CA C 14 56.221 55.071 1.150 1
1 87 . 12 1 1 A 14 14 ALA CB C 14 19.568 18.357 1.211 1
1 88 . 12 1 1 A 14 14 ALA N N 14 122.169 121.417 0.752 1
1 89 . 12 1 1 A 15 15 PHE H H 15 8.002 7.636 0.366 1
1 90 . 12 1 1 A 15 15 PHE HA H 15 2.866 2.159 0.707 1
1 98 . 12 1 1 A 15 15 PHE C C 15 177.821 176.379 1.442 1
1 99 . 12 1 1 A 15 15 PHE CA C 15 59.132 60.193 -1.061 1
1 100 . 12 1 1 A 15 15 PHE CB C 15 38.239 38.570 -0.331 1
1 106 . 12 1 1 A 15 15 PHE N N 15 116.867 119.159 -2.292 1
1 107 . 12 1 1 A 16 16 LEU H H 16 8.264 8.419 -0.155 1
1 108 . 12 1 1 A 16 16 LEU HA H 16 3.642 3.334 0.308 1
1 118 . 12 1 1 A 16 16 LEU C C 16 180.354 179.166 1.188 1
1 119 . 12 1 1 A 16 16 LEU CA C 16 58.236 57.407 0.829 1
1 120 . 12 1 1 A 16 16 LEU CB C 16 41.365 41.020 0.345 1
1 124 . 12 1 1 A 16 16 LEU N N 16 120.647 119.420 1.227 1
1 125 . 12 1 1 A 17 17 LEU H H 17 7.977 7.895 0.082 1
1 126 . 12 1 1 A 17 17 LEU HA H 17 4.065 3.871 0.194 1
1 136 . 12 1 1 A 17 17 LEU C C 17 178.984 179.146 -0.162 1
1 137 . 12 1 1 A 17 17 LEU CA C 17 58.165 58.259 -0.094 1
1 138 . 12 1 1 A 17 17 LEU CB C 17 41.693 42.196 -0.503 1
1 142 . 12 1 1 A 17 17 LEU N N 17 121.855 119.467 2.388 1
1 143 . 12 1 1 A 18 18 PHE H H 18 8.136 8.129 0.007 1
1 144 . 12 1 1 A 18 18 PHE HA H 18 3.769 4.240 -0.471 1
1 150 . 12 1 1 A 18 18 PHE C C 18 179.020 178.385 0.635 1
1 151 . 12 1 1 A 18 18 PHE CA C 18 62.333 62.121 0.212 1
1 152 . 12 1 1 A 18 18 PHE CB C 18 39.122 39.382 -0.260 1
1 156 . 12 1 1 A 18 18 PHE N N 18 122.907 118.373 4.534 1
1 157 . 12 1 1 A 19 19 CYS H H 19 8.520 7.951 0.569 1
1 158 . 12 1 1 A 19 19 CYS HA H 19 3.728 4.418 -0.690 1
1 161 . 12 1 1 A 19 19 CYS C C 19 176.136 177.072 -0.936 1
1 162 . 12 1 1 A 19 19 CYS CA C 19 64.313 62.553 1.760 1
1 163 . 12 1 1 A 19 19 CYS CB C 19 26.577 26.746 -0.169 1
1 164 . 12 1 1 A 19 19 CYS N N 19 119.069 117.813 1.256 1
1 165 . 12 1 1 A 20 20 LYS H H 20 7.969 8.118 -0.149 1
1 166 . 12 1 1 A 20 20 LYS HA H 20 3.953 4.083 -0.130 1
1 175 . 12 1 1 A 20 20 LYS C C 20 179.133 178.071 1.062 1
1 176 . 12 1 1 A 20 20 LYS CA C 20 59.295 58.626 0.669 1
1 177 . 12 1 1 A 20 20 LYS CB C 20 32.111 32.251 -0.140 1
1 181 . 12 1 1 A 20 20 LYS N N 20 119.888 120.082 -0.194 1
1 182 . 12 1 1 A 21 21 ARG H H 21 7.493 7.912 -0.419 1
1 183 . 12 1 1 A 21 21 ARG HA H 21 4.166 4.217 -0.051 1
1 190 . 12 1 1 A 21 21 ARG C C 21 177.239 177.726 -0.487 1
1 191 . 12 1 1 A 21 21 ARG CA C 21 57.575 58.139 -0.564 1
1 192 . 12 1 1 A 21 21 ARG CB C 21 30.137 30.953 -0.816 1
1 195 . 12 1 1 A 21 21 ARG N N 21 116.105 118.461 -2.356 1
1 196 . 12 1 1 A 22 22 HIS H H 22 7.354 8.121 -0.767 1
1 197 . 12 1 1 A 22 22 HIS HA H 22 4.706 4.475 0.231 1
1 201 . 12 1 1 A 22 22 HIS C C 22 175.627 176.760 -1.133 1
1 202 . 12 1 1 A 22 22 HIS CA C 22 58.593 58.638 -0.045 1
1 203 . 12 1 1 A 22 22 HIS CB C 22 30.754 30.277 0.477 1
1 205 . 12 1 1 A 22 22 HIS N N 22 113.808 117.184 -3.376 1
1 206 . 12 1 1 A 23 23 ARG H H 23 8.372 8.260 0.112 1
1 207 . 12 1 1 A 23 23 ARG HA H 23 3.793 3.910 -0.117 1
1 214 . 12 1 1 A 23 23 ARG C C 23 177.930 178.668 -0.738 1
1 215 . 12 1 1 A 23 23 ARG CA C 23 60.747 59.527 1.220 1
1 216 . 12 1 1 A 23 23 ARG CB C 23 29.251 30.327 -1.076 1
1 219 . 12 1 1 A 23 23 ARG N N 23 123.560 120.856 2.704 1
1 220 . 12 1 1 A 24 24 SER HA H 24 4.163 4.196 -0.033 1
1 223 . 12 1 1 A 24 24 SER CA C 24 61.523 62.113 -0.590 1
1 224 . 12 1 1 A 24 24 SER CB C 24 62.116 62.928 -0.812 1
1 225 . 12 1 1 A 25 25 LEU H H 25 7.504 8.136 -0.632 1
1 226 . 12 1 1 A 25 25 LEU HA H 25 4.265 4.042 0.223 1
1 236 . 12 1 1 A 25 25 LEU C C 25 179.336 178.620 0.716 1
1 237 . 12 1 1 A 25 25 LEU CA C 25 57.837 58.743 -0.906 1
1 238 . 12 1 1 A 25 25 LEU CB C 25 41.470 42.270 -0.800 1
1 242 . 12 1 1 A 25 25 LEU N N 25 124.174 123.082 1.092 1
1 243 . 12 1 1 A 26 26 VAL H H 26 7.802 8.506 -0.704 1
1 244 . 12 1 1 A 26 26 VAL HA H 26 3.833 3.588 0.245 1
1 252 . 12 1 1 A 26 26 VAL C C 26 177.712 177.884 -0.172 1
1 253 . 12 1 1 A 26 26 VAL CA C 26 66.662 67.235 -0.573 1
1 254 . 12 1 1 A 26 26 VAL CB C 26 31.670 31.396 0.274 1
1 257 . 12 1 1 A 26 26 VAL N N 26 119.266 119.252 0.014 1
1 258 . 12 1 1 A 27 27 ARG H H 27 7.922 8.679 -0.757 1
1 259 . 12 1 1 A 27 27 ARG HA H 27 4.043 3.988 0.055 1
1 266 . 12 1 1 A 27 27 ARG C C 27 177.785 179.122 -1.337 1
1 267 . 12 1 1 A 27 27 ARG CA C 27 58.683 60.101 -1.418 1
1 268 . 12 1 1 A 27 27 ARG CB C 27 29.720 30.042 -0.322 1
1 271 . 12 1 1 A 27 27 ARG N N 27 118.035 119.570 -1.535 1
1 272 . 12 1 1 A 28 28 GLN H H 28 7.707 8.371 -0.664 1
1 273 . 12 1 1 A 28 28 GLN HA H 28 4.092 4.087 0.005 1
1 280 . 12 1 1 A 28 28 GLN C C 28 177.785 178.738 -0.953 1
1 281 . 12 1 1 A 28 28 GLN CA C 28 58.233 58.757 -0.524 1
1 282 . 12 1 1 A 28 28 GLN CB C 28 29.191 28.477 0.714 1
1 284 . 12 1 1 A 28 28 GLN N N 28 116.893 118.832 -1.939 1
1 286 . 12 1 1 A 29 29 GLU H H 29 7.864 8.513 -0.649 1
1 287 . 12 1 1 A 29 29 GLU HA H 29 4.131 3.981 0.150 1
1 292 . 12 1 1 A 29 29 GLU C C 29 176.246 176.195 0.051 1
1 293 . 12 1 1 A 29 29 GLU CA C 29 57.808 58.920 -1.112 1
1 294 . 12 1 1 A 29 29 GLU CB C 29 31.004 29.155 1.849 1
1 296 . 12 1 1 A 29 29 GLU N N 29 116.949 118.972 -2.023 1
1 297 . 12 1 1 A 30 30 HIS H H 30 8.058 8.642 -0.584 1
1 298 . 12 1 1 A 30 30 HIS HA H 30 5.071 5.105 -0.034 1
1 303 . 12 1 1 A 30 30 HIS C C 30 173.519 174.036 -0.517 1
1 304 . 12 1 1 A 30 30 HIS CA C 30 53.347 53.140 0.207 1
1 305 . 12 1 1 A 30 30 HIS CB C 30 30.649 29.778 0.871 1
1 308 . 12 1 1 A 30 30 HIS N N 30 116.711 117.003 -0.292 1
1 309 . 12 1 1 A 31 31 PRO HA H 31 4.648 4.315 0.333 1
1 316 . 12 1 1 A 31 31 PRO C C 31 178.197 179.060 -0.863 1
1 317 . 12 1 1 A 31 31 PRO CA C 31 64.911 65.777 -0.866 1
1 318 . 12 1 1 A 31 31 PRO CB C 31 32.458 31.655 0.803 1
1 321 . 12 1 1 A 32 32 ARG H H 32 8.617 8.361 0.256 1
1 322 . 12 1 1 A 32 32 ARG HA H 32 4.406 4.097 0.309 1
1 329 . 12 1 1 A 32 32 ARG C C 32 176.815 177.486 -0.671 1
1 330 . 12 1 1 A 32 32 ARG CA C 32 55.959 59.133 -3.174 1
1 331 . 12 1 1 A 32 32 ARG CB C 32 29.808 29.764 0.044 1
1 334 . 12 1 1 A 32 32 ARG N N 32 116.125 118.256 -2.131 1
1 335 . 12 1 1 A 33 33 LEU H H 33 7.421 7.709 -0.288 1
1 336 . 12 1 1 A 33 33 LEU HA H 33 4.409 4.161 0.248 1
1 346 . 12 1 1 A 33 33 LEU C C 33 177.349 176.595 0.754 1
1 347 . 12 1 1 A 33 33 LEU CA C 33 55.140 55.385 -0.245 1
1 348 . 12 1 1 A 33 33 LEU CB C 33 43.420 42.580 0.840 1
1 352 . 12 1 1 A 33 33 LEU N N 33 120.576 121.329 -0.753 1
1 353 . 12 1 1 A 34 34 ASP H H 34 8.168 8.835 -0.667 1
1 354 . 12 1 1 A 34 34 ASP HA H 34 4.646 4.874 -0.228 1
1 357 . 12 1 1 A 34 34 ASP C C 34 175.821 175.797 0.024 1
1 358 . 12 1 1 A 34 34 ASP CA C 34 52.415 52.573 -0.158 1
1 359 . 12 1 1 A 34 34 ASP CB C 34 41.177 41.011 0.166 1
1 360 . 12 1 1 A 34 34 ASP N N 34 122.502 123.687 -1.185 1
1 361 . 12 1 1 A 35 35 ASN HA H 35 4.395 4.243 0.152 1
1 366 . 12 1 1 A 35 35 ASN CA C 35 57.033 55.773 1.260 1
1 367 . 12 1 1 A 35 35 ASN CB C 35 38.344 36.833 1.511 1
1 369 . 12 1 1 A 36 36 ARG HA H 36 4.096 4.030 0.066 1
1 376 . 12 1 1 A 36 36 ARG C C 36 179.554 178.602 0.952 1
1 377 . 12 1 1 A 36 36 ARG CA C 36 59.527 59.483 0.044 1
1 378 . 12 1 1 A 36 36 ARG CB C 36 29.626 29.945 -0.319 1
1 381 . 12 1 1 A 37 37 GLY H H 37 8.618 8.351 0.267 1
1 382 . 12 1 1 A 37 37 GLY HA2 H 37 3.888 3.832 0.056 1
1 383 . 12 1 1 A 37 37 GLY HA3 H 37 3.754 3.833 -0.079 1
1 384 . 12 1 1 A 37 37 GLY C C 37 176.597 176.230 0.367 1
1 385 . 12 1 1 A 37 37 GLY CA C 37 47.048 47.270 -0.222 1
1 386 . 12 1 1 A 37 37 GLY N N 37 110.017 107.122 2.895 1
1 387 . 12 1 1 A 38 38 ALA H H 38 8.619 7.991 0.628 1
1 388 . 12 1 1 A 38 38 ALA HA H 38 3.945 3.852 0.093 1
1 392 . 12 1 1 A 38 38 ALA C C 38 178.924 179.622 -0.698 1
1 393 . 12 1 1 A 38 38 ALA CA C 38 55.123 54.518 0.605 1
1 394 . 12 1 1 A 38 38 ALA CB C 38 18.046 18.438 -0.392 1
1 395 . 12 1 1 A 38 38 ALA N N 38 124.889 124.400 0.489 1
1 396 . 12 1 1 A 39 39 THR H H 39 8.239 8.589 -0.350 1
1 397 . 12 1 1 A 39 39 THR HA H 39 3.895 3.785 0.110 1
1 402 . 12 1 1 A 39 39 THR C C 39 175.252 176.373 -1.121 1
1 403 . 12 1 1 A 39 39 THR CA C 39 66.889 67.370 -0.481 1
1 404 . 12 1 1 A 39 39 THR CB C 39 68.607 68.936 -0.329 1
1 406 . 12 1 1 A 39 39 THR N N 39 114.810 114.924 -0.114 1
1 407 . 12 1 1 A 40 40 LYS H H 40 7.518 7.574 -0.056 1
1 408 . 12 1 1 A 40 40 LYS HA H 40 4.098 3.997 0.101 1
1 417 . 12 1 1 A 40 40 LYS C C 40 178.330 179.608 -1.278 1
1 418 . 12 1 1 A 40 40 LYS CA C 40 59.746 59.401 0.345 1
1 419 . 12 1 1 A 40 40 LYS CB C 40 32.106 32.326 -0.220 1
1 423 . 12 1 1 A 40 40 LYS N N 40 122.046 119.887 2.159 1
1 424 . 12 1 1 A 41 41 ILE H H 41 7.218 7.855 -0.637 1
1 425 . 12 1 1 A 41 41 ILE HA H 41 3.722 3.420 0.302 1
1 435 . 12 1 1 A 41 41 ILE C C 41 178.197 178.260 -0.063 1
1 436 . 12 1 1 A 41 41 ILE CA C 41 64.055 65.485 -1.430 1
1 437 . 12 1 1 A 41 41 ILE CB C 41 36.482 37.425 -0.943 1
1 441 . 12 1 1 A 41 41 ILE N N 41 119.019 120.691 -1.672 1
1 442 . 12 1 1 A 42 42 LEU H H 42 7.940 8.556 -0.616 1
1 443 . 12 1 1 A 42 42 LEU HA H 42 3.988 3.893 0.095 1
1 453 . 12 1 1 A 42 42 LEU C C 42 179.251 179.300 -0.049 1
1 454 . 12 1 1 A 42 42 LEU CA C 42 58.605 57.809 0.796 1
1 455 . 12 1 1 A 42 42 LEU CB C 42 41.694 40.794 0.900 1
1 459 . 12 1 1 A 42 42 LEU N N 42 119.163 118.904 0.259 1
1 460 . 12 1 1 A 43 43 ALA H H 43 8.732 8.441 0.291 1
1 461 . 12 1 1 A 43 43 ALA HA H 43 4.222 3.962 0.260 1
1 465 . 12 1 1 A 43 43 ALA C C 43 180.899 178.945 1.954 1
1 466 . 12 1 1 A 43 43 ALA CA C 43 55.699 55.449 0.250 1
1 467 . 12 1 1 A 43 43 ALA CB C 43 17.859 18.451 -0.592 1
1 468 . 12 1 1 A 43 43 ALA N N 43 122.225 121.752 0.473 1
1 469 . 12 1 1 A 44 44 ASP H H 44 8.350 8.290 0.060 1
1 470 . 12 1 1 A 44 44 ASP HA H 44 4.545 4.340 0.205 1
1 473 . 12 1 1 A 44 44 ASP C C 44 179.227 178.614 0.613 1
1 474 . 12 1 1 A 44 44 ASP CA C 44 57.507 57.400 0.107 1
1 475 . 12 1 1 A 44 44 ASP CB C 44 39.719 41.111 -1.392 1
1 476 . 12 1 1 A 44 44 ASP N N 44 122.950 118.239 4.711 1
1 477 . 12 1 1 A 45 45 TRP H H 45 8.831 8.421 0.410 1
1 478 . 12 1 1 A 45 45 TRP HA H 45 4.692 4.341 0.351 1
1 487 . 12 1 1 A 45 45 TRP C C 45 179.057 178.835 0.222 1
1 488 . 12 1 1 A 45 45 TRP CA C 45 58.008 59.862 -1.854 1
1 489 . 12 1 1 A 45 45 TRP CB C 45 29.520 29.543 -0.023 1
1 495 . 12 1 1 A 45 45 TRP N N 45 122.321 119.774 2.547 1
1 497 . 12 1 1 A 46 46 TRP H H 46 8.921 8.283 0.638 1
1 498 . 12 1 1 A 46 46 TRP HA H 46 3.733 3.505 0.228 1
1 507 . 12 1 1 A 46 46 TRP C C 46 177.664 177.517 0.147 1
1 508 . 12 1 1 A 46 46 TRP CA C 46 59.279 60.504 -1.225 1
1 509 . 12 1 1 A 46 46 TRP CB C 46 30.508 29.297 1.211 1
1 515 . 12 1 1 A 46 46 TRP N N 46 120.243 121.449 -1.206 1
1 517 . 12 1 1 A 47 47 ALA H H 47 7.918 9.242 -1.324 1
1 518 . 12 1 1 A 47 47 ALA HA H 47 3.918 3.982 -0.064 1
1 522 . 12 1 1 A 47 47 ALA C C 47 179.978 178.041 1.937 1
1 523 . 12 1 1 A 47 47 ALA CA C 47 55.011 55.102 -0.091 1
1 524 . 12 1 1 A 47 47 ALA CB C 47 18.581 18.558 0.023 1
1 525 . 12 1 1 A 47 47 ALA N N 47 117.935 120.799 -2.864 1
1 526 . 12 1 1 A 48 48 VAL H H 48 7.106 7.590 -0.484 1
1 527 . 12 1 1 A 48 48 VAL HA H 48 4.378 4.333 0.045 1
1 535 . 12 1 1 A 48 48 VAL C C 48 175.627 174.598 1.029 1
1 536 . 12 1 1 A 48 48 VAL CA C 48 60.641 60.268 0.373 1
1 537 . 12 1 1 A 48 48 VAL CB C 48 31.865 31.209 0.656 1
1 540 . 12 1 1 A 48 48 VAL N N 48 107.757 108.334 -0.577 1
1 541 . 12 1 1 A 49 49 LEU H H 49 7.008 7.377 -0.369 1
1 542 . 12 1 1 A 49 49 LEU HA H 49 3.948 5.012 -1.064 1
1 552 . 12 1 1 A 49 49 LEU C C 49 176.258 174.351 1.907 1
1 553 . 12 1 1 A 49 49 LEU CA C 49 55.032 53.356 1.676 1
1 554 . 12 1 1 A 49 49 LEU CB C 49 42.822 45.334 -2.512 1
1 558 . 12 1 1 A 49 49 LEU N N 49 125.594 124.595 0.999 1
1 559 . 12 1 1 A 50 50 ASP H H 50 8.485 8.546 -0.061 1
1 560 . 12 1 1 A 50 50 ASP HA H 50 4.643 4.736 -0.093 1
1 563 . 12 1 1 A 50 50 ASP CA C 50 52.855 52.912 -0.057 1
1 564 . 12 1 1 A 50 50 ASP CB C 50 42.605 40.900 1.705 1
1 565 . 12 1 1 A 51 51 PRO HA H 51 4.025 4.236 -0.211 1
1 572 . 12 1 1 A 51 51 PRO C C 51 179.166 178.383 0.783 1
1 573 . 12 1 1 A 51 51 PRO CA C 51 65.861 65.382 0.479 1
1 574 . 12 1 1 A 51 51 PRO CB C 51 32.458 31.579 0.879 1
1 577 . 12 1 1 A 52 52 LYS H H 52 8.866 8.121 0.745 1
1 578 . 12 1 1 A 52 52 LYS HA H 52 4.165 4.049 0.116 1
1 585 . 12 1 1 A 52 52 LYS C C 52 179.542 179.290 0.252 1
1 586 . 12 1 1 A 52 52 LYS CA C 52 59.484 59.490 -0.006 1
1 587 . 12 1 1 A 52 52 LYS CB C 52 31.906 32.277 -0.371 1
1 591 . 12 1 1 A 52 52 LYS N N 52 118.625 118.384 0.241 1
1 592 . 12 1 1 A 53 53 GLU H H 53 7.727 8.061 -0.334 1
1 593 . 12 1 1 A 53 53 GLU HA H 53 4.343 4.141 0.202 1
1 598 . 12 1 1 A 53 53 GLU C C 53 179.335 179.467 -0.132 1
1 599 . 12 1 1 A 53 53 GLU CA C 53 58.355 59.372 -1.017 1
1 600 . 12 1 1 A 53 53 GLU CB C 53 29.726 29.697 0.029 1
1 602 . 12 1 1 A 53 53 GLU N N 53 120.460 118.783 1.677 1
1 603 . 12 1 1 A 54 54 LYS H H 54 8.194 7.662 0.532 1
1 604 . 12 1 1 A 54 54 LYS HA H 54 3.949 4.452 -0.503 1
1 613 . 12 1 1 A 54 54 LYS C C 54 179.566 179.143 0.423 1
1 614 . 12 1 1 A 54 54 LYS CA C 54 60.920 59.979 0.941 1
1 615 . 12 1 1 A 54 54 LYS CB C 54 32.481 32.295 0.186 1
1 619 . 12 1 1 A 54 54 LYS N N 54 118.859 118.114 0.745 1
1 620 . 12 1 1 A 55 55 GLN H H 55 7.965 8.746 -0.781 1
1 621 . 12 1 1 A 55 55 GLN HA H 55 4.025 4.073 -0.048 1
1 628 . 12 1 1 A 55 55 GLN C C 55 177.154 177.926 -0.772 1
1 629 . 12 1 1 A 55 55 GLN CA C 55 58.064 58.909 -0.845 1
1 630 . 12 1 1 A 55 55 GLN CB C 55 28.163 28.753 -0.590 1
1 632 . 12 1 1 A 55 55 GLN N N 55 117.922 119.694 -1.772 1
1 634 . 12 1 1 A 56 56 LYS H H 56 7.483 7.582 -0.099 1
1 635 . 12 1 1 A 56 56 LYS HA H 56 4.205 4.050 0.155 1
1 644 . 12 1 1 A 56 56 LYS C C 56 179.772 178.563 1.209 1
1 645 . 12 1 1 A 56 56 LYS CA C 56 59.671 59.242 0.429 1
1 646 . 12 1 1 A 56 56 LYS CB C 56 31.700 31.953 -0.253 1
1 650 . 12 1 1 A 56 56 LYS N N 56 118.491 119.431 -0.940 1
1 651 . 12 1 1 A 57 57 TYR H H 57 7.707 7.979 -0.272 1
1 652 . 12 1 1 A 57 57 TYR HA H 57 4.344 4.506 -0.162 1
1 659 . 12 1 1 A 57 57 TYR C C 57 177.966 178.527 -0.561 1
1 660 . 12 1 1 A 57 57 TYR CA C 57 62.784 60.442 2.342 1
1 661 . 12 1 1 A 57 57 TYR CB C 57 38.973 38.686 0.287 1
1 666 . 12 1 1 A 57 57 TYR N N 57 117.968 119.110 -1.142 1
1 667 . 12 1 1 A 58 58 THR H H 58 8.458 9.815 -1.357 1
1 668 . 12 1 1 A 58 58 THR HA H 58 4.074 4.101 -0.027 1
1 673 . 12 1 1 A 58 58 THR C C 58 177.203 176.116 1.087 1
1 674 . 12 1 1 A 58 58 THR CA C 58 67.168 66.911 0.257 1
1 675 . 12 1 1 A 58 58 THR CB C 58 68.401 68.768 -0.367 1
1 677 . 12 1 1 A 58 58 THR N N 58 118.700 115.623 3.077 1
1 678 . 12 1 1 A 59 59 ASP H H 59 8.807 8.300 0.507 1
1 679 . 12 1 1 A 59 59 ASP HA H 59 4.514 4.437 0.077 1
1 682 . 12 1 1 A 59 59 ASP C C 59 179.154 178.491 0.663 1
1 683 . 12 1 1 A 59 59 ASP CA C 59 57.754 57.166 0.588 1
1 684 . 12 1 1 A 59 59 ASP CB C 59 39.801 41.102 -1.301 1
1 685 . 12 1 1 A 59 59 ASP N N 59 123.812 121.272 2.540 1
1 686 . 12 1 1 A 60 60 MET H H 60 8.085 8.203 -0.118 1
1 687 . 12 1 1 A 60 60 MET HA H 60 4.161 4.182 -0.021 1
1 695 . 12 1 1 A 60 60 MET C C 60 178.378 178.704 -0.326 1
1 696 . 12 1 1 A 60 60 MET CA C 60 58.980 58.642 0.338 1
1 697 . 12 1 1 A 60 60 MET CB C 60 34.227 32.285 1.942 1
1 700 . 12 1 1 A 60 60 MET N N 60 120.481 118.044 2.437 1
1 701 . 12 1 1 A 61 61 ALA H H 61 8.296 8.475 -0.179 1
1 702 . 12 1 1 A 61 61 ALA HA H 61 4.114 4.222 -0.108 1
1 706 . 12 1 1 A 61 61 ALA C C 61 179.408 178.967 0.441 1
1 707 . 12 1 1 A 61 61 ALA CA C 61 54.935 55.667 -0.732 1
1 708 . 12 1 1 A 61 61 ALA CB C 61 17.759 18.132 -0.373 1
1 709 . 12 1 1 A 61 61 ALA N N 61 121.147 121.270 -0.123 1
1 710 . 12 1 1 A 62 62 LYS H H 62 7.812 8.337 -0.525 1
1 711 . 12 1 1 A 62 62 LYS HA H 62 4.177 4.000 0.177 1
1 720 . 12 1 1 A 62 62 LYS C C 62 177.979 179.130 -1.151 1
1 721 . 12 1 1 A 62 62 LYS CA C 62 59.289 59.812 -0.523 1
1 722 . 12 1 1 A 62 62 LYS CB C 62 32.539 32.486 0.053 1
1 726 . 12 1 1 A 62 62 LYS N N 62 119.686 118.613 1.073 1
1 727 . 12 1 1 A 63 63 GLU H H 63 7.810 8.311 -0.501 1
1 728 . 12 1 1 A 63 63 GLU HA H 63 4.216 4.045 0.171 1
1 733 . 12 1 1 A 63 63 GLU C C 63 178.597 179.236 -0.639 1
1 734 . 12 1 1 A 63 63 GLU CA C 63 58.386 59.147 -0.761 1
1 735 . 12 1 1 A 63 63 GLU CB C 63 29.644 29.175 0.469 1
1 737 . 12 1 1 A 63 63 GLU N N 63 118.765 118.591 0.174 1
1 738 . 12 1 1 A 64 64 TYR H H 64 8.098 8.469 -0.371 1
1 739 . 12 1 1 A 64 64 TYR HA H 64 4.395 4.233 0.162 1
1 746 . 12 1 1 A 64 64 TYR C C 64 177.639 178.252 -0.613 1
1 747 . 12 1 1 A 64 64 TYR CA C 64 60.006 61.662 -1.656 1
1 748 . 12 1 1 A 64 64 TYR CB C 64 38.198 38.029 0.169 1
1 753 . 12 1 1 A 64 64 TYR N N 64 119.914 119.809 0.105 1
1 754 . 12 1 1 A 65 65 LYS H H 65 8.225 9.344 -1.119 1
1 755 . 12 1 1 A 65 65 LYS HA H 65 4.146 4.090 0.056 1
1 764 . 12 1 1 A 65 65 LYS C C 65 177.481 178.233 -0.752 1
1 765 . 12 1 1 A 65 65 LYS CA C 65 58.793 59.901 -1.108 1
1 766 . 12 1 1 A 65 65 LYS CB C 65 32.523 32.319 0.204 1
1 770 . 12 1 1 A 65 65 LYS N N 65 122.842 120.864 1.978 1
1 771 . 12 1 1 A 66 66 ASP H H 66 8.402 8.277 0.125 1
1 772 . 12 1 1 A 66 66 ASP HA H 66 4.485 4.379 0.106 1
1 775 . 12 1 1 A 66 66 ASP C C 66 177.930 178.351 -0.421 1
1 776 . 12 1 1 A 66 66 ASP CA C 66 56.423 58.085 -1.662 1
1 777 . 12 1 1 A 66 66 ASP CB C 66 40.829 41.708 -0.879 1
1 778 . 12 1 1 A 66 66 ASP N N 66 120.424 119.403 1.021 1
1 779 . 12 1 1 A 67 67 ALA H H 67 7.989 8.109 -0.120 1
1 780 . 12 1 1 A 67 67 ALA HA H 67 4.151 4.130 0.021 1
1 784 . 12 1 1 A 67 67 ALA C C 67 179.457 179.583 -0.126 1
1 785 . 12 1 1 A 67 67 ALA CA C 67 54.274 55.101 -0.827 1
1 786 . 12 1 1 A 67 67 ALA CB C 67 18.499 18.622 -0.123 1
1 787 . 12 1 1 A 67 67 ALA N N 67 122.273 121.774 0.499 1
1 788 . 12 1 1 A 68 68 PHE H H 68 8.235 9.180 -0.945 1
1 789 . 12 1 1 A 68 68 PHE HA H 68 4.314 4.010 0.304 1
1 796 . 12 1 1 A 68 68 PHE C C 68 177.421 176.467 0.954 1
1 797 . 12 1 1 A 68 68 PHE CA C 68 60.193 61.989 -1.796 1
1 798 . 12 1 1 A 68 68 PHE CB C 68 39.390 39.591 -0.201 1
1 803 . 12 1 1 A 68 68 PHE N N 68 119.632 119.423 0.209 1
1 804 . 12 1 1 A 69 69 MET H H 69 8.325 8.522 -0.197 1
1 805 . 12 1 1 A 69 69 MET HA H 69 4.296 3.919 0.377 1
1 813 . 12 1 1 A 69 69 MET C C 69 177.651 175.841 1.810 1
1 814 . 12 1 1 A 69 69 MET CA C 69 56.645 56.223 0.422 1
1 815 . 12 1 1 A 69 69 MET CB C 69 32.108 32.780 -0.672 1
1 818 . 12 1 1 A 69 69 MET N N 69 119.223 116.476 2.747 1
1 819 . 12 1 1 A 70 70 LYS H H 70 7.864 8.555 -0.691 1
1 820 . 12 1 1 A 70 70 LYS HA H 70 4.092 4.459 -0.367 1
1 829 . 12 1 1 A 70 70 LYS C C 70 177.009 175.819 1.190 1
1 830 . 12 1 1 A 70 70 LYS CA C 70 57.769 57.148 0.621 1
1 831 . 12 1 1 A 70 70 LYS CB C 70 32.687 35.153 -2.466 1
1 835 . 12 1 1 A 70 70 LYS N N 70 120.004 124.542 -4.538 1
1 836 . 12 1 1 A 71 71 ALA H H 71 7.670 8.000 -0.330 1
1 837 . 12 1 1 A 71 71 ALA HA H 71 4.264 4.260 0.004 1
1 841 . 12 1 1 A 71 71 ALA C C 71 177.009 175.686 1.323 1
1 842 . 12 1 1 A 71 71 ALA CA C 71 52.603 50.710 1.893 1
1 843 . 12 1 1 A 71 71 ALA CB C 71 19.321 17.752 1.569 1
1 844 . 12 1 1 A 71 71 ALA N N 71 121.270 122.201 -0.931 1
1 845 . 12 1 1 A 72 72 ASN H H 72 7.846 7.854 -0.008 1
1 846 . 12 1 1 A 72 72 ASN HA H 72 4.972 5.152 -0.180 1
1 851 . 12 1 1 A 72 72 ASN C C 72 172.453 174.324 -1.871 1
1 852 . 12 1 1 A 72 72 ASN CA C 72 51.185 49.080 2.105 1
1 853 . 12 1 1 A 72 72 ASN CB C 72 39.350 40.822 -1.472 1
1 854 . 12 1 1 A 72 72 ASN N N 72 117.432 119.246 -1.814 1
1 856 . 12 1 1 A 73 73 PRO HA H 73 4.465 4.335 0.130 1
1 863 . 12 1 1 A 73 73 PRO C C 73 177.857 177.332 0.525 1
1 864 . 12 1 1 A 73 73 PRO CA C 73 63.972 65.507 -1.535 1
1 865 . 12 1 1 A 73 73 PRO CB C 73 31.884 32.007 -0.123 1
1 868 . 12 1 1 A 74 74 GLY H H 74 8.538 8.340 0.198 1
1 869 . 12 1 1 A 74 74 GLY HA2 H 74 3.881 4.015 -0.134 1
1 870 . 12 1 1 A 74 74 GLY HA3 H 74 3.957 4.047 -0.090 1
1 871 . 12 1 1 A 74 74 GLY C C 74 174.210 173.089 1.121 1
1 872 . 12 1 1 A 74 74 GLY CA C 74 45.216 46.370 -1.154 1
1 873 . 12 1 1 A 74 74 GLY N N 74 108.444 107.795 0.649 1
1 874 . 12 1 1 A 75 75 TYR H H 75 7.878 8.385 -0.507 1
1 875 . 12 1 1 A 75 75 TYR HA H 75 4.449 5.147 -0.698 1
1 882 . 12 1 1 A 75 75 TYR C C 75 175.640 173.246 2.394 1
1 883 . 12 1 1 A 75 75 TYR CA C 75 58.778 56.531 2.247 1
1 884 . 12 1 1 A 75 75 TYR CB C 75 38.856 40.269 -1.413 1
1 889 . 12 1 1 A 75 75 TYR N N 75 120.970 121.005 -0.035 1
1 890 . 12 1 1 A 76 76 ARG H H 76 8.039 8.714 -0.675 1
1 891 . 12 1 1 A 76 76 ARG HA H 76 4.346 4.335 0.011 1
1 898 . 12 1 1 A 76 76 ARG C C 76 175.482 174.838 0.644 1
1 899 . 12 1 1 A 76 76 ARG CA C 76 55.510 54.932 0.578 1
1 900 . 12 1 1 A 76 76 ARG CB C 76 31.307 31.018 0.289 1
1 903 . 12 1 1 A 76 76 ARG N N 76 124.540 120.594 3.946 1
1 904 . 12 1 1 A 77 77 SER HA H 77 4.430 4.529 -0.099 1
1 907 . 12 1 1 A 77 77 SER CA C 77 58.319 58.734 -0.415 1
1 908 . 12 1 1 A 77 77 SER CB C 77 63.982 63.839 0.143 1
1 909 . 12 1 1 A 78 78 GLY HA2 H 78 4.154 4.250 -0.096 1
1 910 . 12 1 1 A 78 78 GLY HA3 H 78 4.154 4.266 -0.112 1
1 911 . 12 1 1 A 78 78 GLY CA C 78 44.731 43.724 1.007 1
1 912 . 12 1 1 A 79 79 PRO HA H 79 4.495 4.279 0.216 1
1 917 . 12 1 1 A 79 79 PRO CA C 79 63.366 65.082 -1.716 1
1 918 . 12 1 1 A 79 79 PRO CB C 79 32.289 31.676 0.613 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.967 4.229 -0.262 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.967 4.236 -0.269 1
1 3 . 13 1 1 A 7 7 GLY C C 7 173.907 173.626 0.281 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.273 45.975 -0.702 1
1 5 . 13 1 1 A 8 8 ALA H H 8 8.092 7.950 0.142 1
1 6 . 13 1 1 A 8 8 ALA HA H 8 4.335 4.034 0.301 1
1 10 . 13 1 1 A 8 8 ALA C C 8 177.772 177.299 0.473 1
1 11 . 13 1 1 A 8 8 ALA CA C 8 52.468 52.878 -0.410 1
1 12 . 13 1 1 A 8 8 ALA CB C 8 19.404 17.672 1.732 1
1 13 . 13 1 1 A 8 8 ALA N N 8 123.589 119.250 4.339 1
1 14 . 13 1 1 A 9 9 ARG H H 9 8.298 8.251 0.047 1
1 15 . 13 1 1 A 9 9 ARG HA H 9 4.348 4.726 -0.378 1
1 22 . 13 1 1 A 9 9 ARG C C 9 175.894 175.463 0.431 1
1 23 . 13 1 1 A 9 9 ARG CA C 9 55.999 56.722 -0.723 1
1 24 . 13 1 1 A 9 9 ARG CB C 9 30.813 33.328 -2.515 1
1 27 . 13 1 1 A 9 9 ARG N N 9 120.366 121.498 -1.132 1
1 28 . 13 1 1 A 10 10 ARG H H 10 8.212 7.871 0.341 1
1 29 . 13 1 1 A 10 10 ARG HA H 10 4.468 4.296 0.172 1
1 36 . 13 1 1 A 10 10 ARG C C 10 173.810 173.221 0.589 1
1 37 . 13 1 1 A 10 10 ARG CA C 10 53.783 52.841 0.942 1
1 38 . 13 1 1 A 10 10 ARG CB C 10 30.384 30.934 -0.550 1
1 41 . 13 1 1 A 10 10 ARG N N 10 122.690 117.897 4.793 1
1 42 . 13 1 1 A 11 11 PRO HA H 11 4.322 4.150 0.172 1
1 49 . 13 1 1 A 11 11 PRO C C 11 176.427 176.425 0.002 1
1 50 . 13 1 1 A 11 11 PRO CA C 11 62.905 61.920 0.985 1
1 51 . 13 1 1 A 11 11 PRO CB C 11 31.929 31.919 0.010 1
1 54 . 13 1 1 A 12 12 MET H H 12 8.237 8.187 0.050 1
1 55 . 13 1 1 A 12 12 MET HA H 12 4.441 4.450 -0.009 1
1 63 . 13 1 1 A 12 12 MET C C 12 175.094 176.117 -1.023 1
1 64 . 13 1 1 A 12 12 MET CA C 12 55.400 54.082 1.318 1
1 65 . 13 1 1 A 12 12 MET CB C 12 33.327 33.330 -0.003 1
1 68 . 13 1 1 A 12 12 MET N N 12 120.543 118.937 1.606 1
1 69 . 13 1 1 A 13 13 ASN H H 13 7.399 8.806 -1.407 1
1 70 . 13 1 1 A 13 13 ASN HA H 13 4.650 4.965 -0.315 1
1 75 . 13 1 1 A 13 13 ASN C C 13 174.743 176.708 -1.965 1
1 76 . 13 1 1 A 13 13 ASN CA C 13 52.456 51.699 0.757 1
1 77 . 13 1 1 A 13 13 ASN CB C 13 39.513 40.500 -0.987 1
1 78 . 13 1 1 A 13 13 ASN N N 13 118.399 120.814 -2.415 1
1 80 . 13 1 1 A 14 14 ALA H H 14 8.681 8.747 -0.066 1
1 81 . 13 1 1 A 14 14 ALA HA H 14 3.964 4.133 -0.169 1
1 85 . 13 1 1 A 14 14 ALA C C 14 177.736 178.980 -1.244 1
1 86 . 13 1 1 A 14 14 ALA CA C 14 56.221 55.049 1.172 1
1 87 . 13 1 1 A 14 14 ALA CB C 14 19.568 18.767 0.801 1
1 88 . 13 1 1 A 14 14 ALA N N 14 122.169 122.231 -0.062 1
1 89 . 13 1 1 A 15 15 PHE H H 15 8.002 7.966 0.036 1
1 90 . 13 1 1 A 15 15 PHE HA H 15 2.866 1.259 1.607 1
1 98 . 13 1 1 A 15 15 PHE C C 15 177.821 176.282 1.539 1
1 99 . 13 1 1 A 15 15 PHE CA C 15 59.132 60.276 -1.144 1
1 100 . 13 1 1 A 15 15 PHE CB C 15 38.239 38.300 -0.061 1
1 106 . 13 1 1 A 15 15 PHE N N 15 116.867 118.453 -1.586 1
1 107 . 13 1 1 A 16 16 LEU H H 16 8.264 7.939 0.325 1
1 108 . 13 1 1 A 16 16 LEU HA H 16 3.642 3.293 0.349 1
1 118 . 13 1 1 A 16 16 LEU C C 16 180.354 179.031 1.323 1
1 119 . 13 1 1 A 16 16 LEU CA C 16 58.236 57.425 0.811 1
1 120 . 13 1 1 A 16 16 LEU CB C 16 41.365 41.066 0.299 1
1 124 . 13 1 1 A 16 16 LEU N N 16 120.647 119.486 1.161 1
1 125 . 13 1 1 A 17 17 LEU H H 17 7.977 8.217 -0.240 1
1 126 . 13 1 1 A 17 17 LEU HA H 17 4.065 3.926 0.139 1
1 136 . 13 1 1 A 17 17 LEU C C 17 178.984 179.058 -0.074 1
1 137 . 13 1 1 A 17 17 LEU CA C 17 58.165 58.062 0.103 1
1 138 . 13 1 1 A 17 17 LEU CB C 17 41.693 41.819 -0.126 1
1 142 . 13 1 1 A 17 17 LEU N N 17 121.855 118.741 3.114 1
1 143 . 13 1 1 A 18 18 PHE H H 18 8.136 7.888 0.248 1
1 144 . 13 1 1 A 18 18 PHE HA H 18 3.769 4.343 -0.574 1
1 150 . 13 1 1 A 18 18 PHE C C 18 179.020 177.872 1.148 1
1 151 . 13 1 1 A 18 18 PHE CA C 18 62.333 60.237 2.096 1
1 152 . 13 1 1 A 18 18 PHE CB C 18 39.122 39.439 -0.317 1
1 156 . 13 1 1 A 18 18 PHE N N 18 122.907 118.380 4.527 1
1 157 . 13 1 1 A 19 19 CYS H H 19 8.520 7.445 1.075 1
1 158 . 13 1 1 A 19 19 CYS HA H 19 3.728 4.415 -0.687 1
1 161 . 13 1 1 A 19 19 CYS C C 19 176.136 176.450 -0.314 1
1 162 . 13 1 1 A 19 19 CYS CA C 19 64.313 61.876 2.437 1
1 163 . 13 1 1 A 19 19 CYS CB C 19 26.577 27.273 -0.696 1
1 164 . 13 1 1 A 19 19 CYS N N 19 119.069 117.909 1.160 1
1 165 . 13 1 1 A 20 20 LYS H H 20 7.969 7.905 0.064 1
1 166 . 13 1 1 A 20 20 LYS HA H 20 3.953 4.143 -0.190 1
1 175 . 13 1 1 A 20 20 LYS C C 20 179.133 178.393 0.740 1
1 176 . 13 1 1 A 20 20 LYS CA C 20 59.295 58.515 0.780 1
1 177 . 13 1 1 A 20 20 LYS CB C 20 32.111 32.347 -0.236 1
1 181 . 13 1 1 A 20 20 LYS N N 20 119.888 119.097 0.791 1
1 182 . 13 1 1 A 21 21 ARG H H 21 7.493 7.911 -0.418 1
1 183 . 13 1 1 A 21 21 ARG HA H 21 4.166 4.290 -0.124 1
1 190 . 13 1 1 A 21 21 ARG C C 21 177.239 177.830 -0.591 1
1 191 . 13 1 1 A 21 21 ARG CA C 21 57.575 58.198 -0.623 1
1 192 . 13 1 1 A 21 21 ARG CB C 21 30.137 31.103 -0.966 1
1 195 . 13 1 1 A 21 21 ARG N N 21 116.105 118.784 -2.679 1
1 196 . 13 1 1 A 22 22 HIS H H 22 7.354 7.780 -0.426 1
1 197 . 13 1 1 A 22 22 HIS HA H 22 4.706 4.468 0.238 1
1 201 . 13 1 1 A 22 22 HIS C C 22 175.627 176.885 -1.258 1
1 202 . 13 1 1 A 22 22 HIS CA C 22 58.593 59.408 -0.815 1
1 203 . 13 1 1 A 22 22 HIS CB C 22 30.754 29.058 1.696 1
1 205 . 13 1 1 A 22 22 HIS N N 22 113.808 117.756 -3.948 1
1 206 . 13 1 1 A 23 23 ARG H H 23 8.372 7.719 0.653 1
1 207 . 13 1 1 A 23 23 ARG HA H 23 3.793 3.879 -0.086 1
1 214 . 13 1 1 A 23 23 ARG C C 23 177.930 178.770 -0.840 1
1 215 . 13 1 1 A 23 23 ARG CA C 23 60.747 59.545 1.202 1
1 216 . 13 1 1 A 23 23 ARG CB C 23 29.251 30.317 -1.066 1
1 219 . 13 1 1 A 23 23 ARG N N 23 123.560 121.171 2.389 1
1 220 . 13 1 1 A 24 24 SER HA H 24 4.163 4.143 0.020 1
1 223 . 13 1 1 A 24 24 SER CA C 24 61.523 62.370 -0.847 1
1 224 . 13 1 1 A 24 24 SER CB C 24 62.116 62.992 -0.876 1
1 225 . 13 1 1 A 25 25 LEU H H 25 7.504 8.193 -0.689 1
1 226 . 13 1 1 A 25 25 LEU HA H 25 4.265 4.066 0.199 1
1 236 . 13 1 1 A 25 25 LEU C C 25 179.336 178.648 0.688 1
1 237 . 13 1 1 A 25 25 LEU CA C 25 57.837 58.629 -0.792 1
1 238 . 13 1 1 A 25 25 LEU CB C 25 41.470 42.179 -0.709 1
1 242 . 13 1 1 A 25 25 LEU N N 25 124.174 122.925 1.249 1
1 243 . 13 1 1 A 26 26 VAL H H 26 7.802 8.129 -0.327 1
1 244 . 13 1 1 A 26 26 VAL HA H 26 3.833 3.523 0.310 1
1 252 . 13 1 1 A 26 26 VAL C C 26 177.712 177.848 -0.136 1
1 253 . 13 1 1 A 26 26 VAL CA C 26 66.662 67.233 -0.571 1
1 254 . 13 1 1 A 26 26 VAL CB C 26 31.670 31.368 0.302 1
1 257 . 13 1 1 A 26 26 VAL N N 26 119.266 119.089 0.177 1
1 258 . 13 1 1 A 27 27 ARG H H 27 7.922 8.783 -0.861 1
1 259 . 13 1 1 A 27 27 ARG HA H 27 4.043 4.008 0.035 1
1 266 . 13 1 1 A 27 27 ARG C C 27 177.785 179.241 -1.456 1
1 267 . 13 1 1 A 27 27 ARG CA C 27 58.683 60.194 -1.511 1
1 268 . 13 1 1 A 27 27 ARG CB C 27 29.720 29.919 -0.199 1
1 271 . 13 1 1 A 27 27 ARG N N 27 118.035 119.336 -1.301 1
1 272 . 13 1 1 A 28 28 GLN H H 28 7.707 8.923 -1.216 1
1 273 . 13 1 1 A 28 28 GLN HA H 28 4.092 4.051 0.041 1
1 280 . 13 1 1 A 28 28 GLN C C 28 177.785 178.643 -0.858 1
1 281 . 13 1 1 A 28 28 GLN CA C 28 58.233 58.738 -0.505 1
1 282 . 13 1 1 A 28 28 GLN CB C 28 29.191 28.453 0.738 1
1 284 . 13 1 1 A 28 28 GLN N N 28 116.893 118.219 -1.326 1
1 286 . 13 1 1 A 29 29 GLU H H 29 7.864 8.575 -0.711 1
1 287 . 13 1 1 A 29 29 GLU HA H 29 4.131 3.949 0.182 1
1 292 . 13 1 1 A 29 29 GLU C C 29 176.246 176.170 0.076 1
1 293 . 13 1 1 A 29 29 GLU CA C 29 57.808 58.884 -1.076 1
1 294 . 13 1 1 A 29 29 GLU CB C 29 31.004 29.265 1.739 1
1 296 . 13 1 1 A 29 29 GLU N N 29 116.949 118.942 -1.993 1
1 297 . 13 1 1 A 30 30 HIS H H 30 8.058 8.532 -0.474 1
1 298 . 13 1 1 A 30 30 HIS HA H 30 5.071 5.105 -0.034 1
1 303 . 13 1 1 A 30 30 HIS C C 30 173.519 174.023 -0.504 1
1 304 . 13 1 1 A 30 30 HIS CA C 30 53.347 53.150 0.197 1
1 305 . 13 1 1 A 30 30 HIS CB C 30 30.649 29.818 0.831 1
1 308 . 13 1 1 A 30 30 HIS N N 30 116.711 117.117 -0.406 1
1 309 . 13 1 1 A 31 31 PRO HA H 31 4.648 4.391 0.257 1
1 316 . 13 1 1 A 31 31 PRO C C 31 178.197 179.232 -1.035 1
1 317 . 13 1 1 A 31 31 PRO CA C 31 64.911 65.324 -0.413 1
1 318 . 13 1 1 A 31 31 PRO CB C 31 32.458 31.962 0.496 1
1 321 . 13 1 1 A 32 32 ARG H H 32 8.617 8.541 0.076 1
1 322 . 13 1 1 A 32 32 ARG HA H 32 4.406 4.090 0.316 1
1 329 . 13 1 1 A 32 32 ARG C C 32 176.815 177.298 -0.483 1
1 330 . 13 1 1 A 32 32 ARG CA C 32 55.959 59.240 -3.281 1
1 331 . 13 1 1 A 32 32 ARG CB C 32 29.808 29.911 -0.103 1
1 334 . 13 1 1 A 32 32 ARG N N 32 116.125 118.207 -2.082 1
1 335 . 13 1 1 A 33 33 LEU H H 33 7.421 7.616 -0.195 1
1 336 . 13 1 1 A 33 33 LEU HA H 33 4.409 4.222 0.187 1
1 346 . 13 1 1 A 33 33 LEU C C 33 177.349 176.419 0.930 1
1 347 . 13 1 1 A 33 33 LEU CA C 33 55.140 55.463 -0.323 1
1 348 . 13 1 1 A 33 33 LEU CB C 33 43.420 42.474 0.946 1
1 352 . 13 1 1 A 33 33 LEU N N 33 120.576 121.089 -0.513 1
1 353 . 13 1 1 A 34 34 ASP H H 34 8.168 8.825 -0.657 1
1 354 . 13 1 1 A 34 34 ASP HA H 34 4.646 4.918 -0.272 1
1 357 . 13 1 1 A 34 34 ASP C C 34 175.821 177.435 -1.614 1
1 358 . 13 1 1 A 34 34 ASP CA C 34 52.415 52.898 -0.483 1
1 359 . 13 1 1 A 34 34 ASP CB C 34 41.177 42.751 -1.574 1
1 360 . 13 1 1 A 34 34 ASP N N 34 122.502 122.006 0.496 1
1 361 . 13 1 1 A 35 35 ASN HA H 35 4.395 4.292 0.103 1
1 366 . 13 1 1 A 35 35 ASN CA C 35 57.033 56.885 0.148 1
1 367 . 13 1 1 A 35 35 ASN CB C 35 38.344 38.508 -0.164 1
1 369 . 13 1 1 A 36 36 ARG HA H 36 4.096 4.005 0.091 1
1 376 . 13 1 1 A 36 36 ARG C C 36 179.554 178.768 0.786 1
1 377 . 13 1 1 A 36 36 ARG CA C 36 59.527 59.306 0.221 1
1 378 . 13 1 1 A 36 36 ARG CB C 36 29.626 29.644 -0.018 1
1 381 . 13 1 1 A 37 37 GLY H H 37 8.618 8.436 0.182 1
1 382 . 13 1 1 A 37 37 GLY HA2 H 37 3.888 3.791 0.097 1
1 383 . 13 1 1 A 37 37 GLY HA3 H 37 3.754 3.794 -0.040 1
1 384 . 13 1 1 A 37 37 GLY C C 37 176.597 175.865 0.732 1
1 385 . 13 1 1 A 37 37 GLY CA C 37 47.048 47.102 -0.054 1
1 386 . 13 1 1 A 37 37 GLY N N 37 110.017 107.888 2.129 1
1 387 . 13 1 1 A 38 38 ALA H H 38 8.619 8.512 0.107 1
1 388 . 13 1 1 A 38 38 ALA HA H 38 3.945 3.901 0.044 1
1 392 . 13 1 1 A 38 38 ALA C C 38 178.924 179.721 -0.797 1
1 393 . 13 1 1 A 38 38 ALA CA C 38 55.123 54.710 0.413 1
1 394 . 13 1 1 A 38 38 ALA CB C 38 18.046 18.305 -0.259 1
1 395 . 13 1 1 A 38 38 ALA N N 38 124.889 124.194 0.695 1
1 396 . 13 1 1 A 39 39 THR H H 39 8.239 7.624 0.615 1
1 397 . 13 1 1 A 39 39 THR HA H 39 3.895 3.835 0.060 1
1 402 . 13 1 1 A 39 39 THR C C 39 175.252 176.148 -0.896 1
1 403 . 13 1 1 A 39 39 THR CA C 39 66.889 67.023 -0.134 1
1 404 . 13 1 1 A 39 39 THR CB C 39 68.607 69.052 -0.445 1
1 406 . 13 1 1 A 39 39 THR N N 39 114.810 114.892 -0.082 1
1 407 . 13 1 1 A 40 40 LYS H H 40 7.518 8.186 -0.668 1
1 408 . 13 1 1 A 40 40 LYS HA H 40 4.098 4.136 -0.038 1
1 417 . 13 1 1 A 40 40 LYS C C 40 178.330 178.242 0.088 1
1 418 . 13 1 1 A 40 40 LYS CA C 40 59.746 58.309 1.437 1
1 419 . 13 1 1 A 40 40 LYS CB C 40 32.106 32.248 -0.142 1
1 423 . 13 1 1 A 40 40 LYS N N 40 122.046 120.656 1.390 1
1 424 . 13 1 1 A 41 41 ILE H H 41 7.218 7.907 -0.689 1
1 425 . 13 1 1 A 41 41 ILE HA H 41 3.722 3.814 -0.092 1
1 435 . 13 1 1 A 41 41 ILE C C 41 178.197 178.154 0.043 1
1 436 . 13 1 1 A 41 41 ILE CA C 41 64.055 63.596 0.459 1
1 437 . 13 1 1 A 41 41 ILE CB C 41 36.482 37.452 -0.970 1
1 441 . 13 1 1 A 41 41 ILE N N 41 119.019 118.736 0.283 1
1 442 . 13 1 1 A 42 42 LEU H H 42 7.940 7.859 0.081 1
1 443 . 13 1 1 A 42 42 LEU HA H 42 3.988 4.133 -0.145 1
1 453 . 13 1 1 A 42 42 LEU C C 42 179.251 179.059 0.192 1
1 454 . 13 1 1 A 42 42 LEU CA C 42 58.605 57.664 0.941 1
1 455 . 13 1 1 A 42 42 LEU CB C 42 41.694 40.765 0.929 1
1 459 . 13 1 1 A 42 42 LEU N N 42 119.163 120.744 -1.581 1
1 460 . 13 1 1 A 43 43 ALA H H 43 8.732 9.173 -0.441 1
1 461 . 13 1 1 A 43 43 ALA HA H 43 4.222 4.153 0.069 1
1 465 . 13 1 1 A 43 43 ALA C C 43 180.899 178.985 1.914 1
1 466 . 13 1 1 A 43 43 ALA CA C 43 55.699 55.786 -0.087 1
1 467 . 13 1 1 A 43 43 ALA CB C 43 17.859 18.432 -0.573 1
1 468 . 13 1 1 A 43 43 ALA N N 43 122.225 121.893 0.332 1
1 469 . 13 1 1 A 44 44 ASP H H 44 8.350 8.412 -0.062 1
1 470 . 13 1 1 A 44 44 ASP HA H 44 4.545 4.305 0.240 1
1 473 . 13 1 1 A 44 44 ASP C C 44 179.227 178.770 0.457 1
1 474 . 13 1 1 A 44 44 ASP CA C 44 57.507 57.302 0.205 1
1 475 . 13 1 1 A 44 44 ASP CB C 44 39.719 41.581 -1.862 1
1 476 . 13 1 1 A 44 44 ASP N N 44 122.950 118.133 4.817 1
1 477 . 13 1 1 A 45 45 TRP H H 45 8.831 8.266 0.565 1
1 478 . 13 1 1 A 45 45 TRP HA H 45 4.692 4.423 0.269 1
1 487 . 13 1 1 A 45 45 TRP C C 45 179.057 178.858 0.199 1
1 488 . 13 1 1 A 45 45 TRP CA C 45 58.008 59.942 -1.934 1
1 489 . 13 1 1 A 45 45 TRP CB C 45 29.520 29.385 0.135 1
1 495 . 13 1 1 A 45 45 TRP N N 45 122.321 119.764 2.557 1
1 497 . 13 1 1 A 46 46 TRP H H 46 8.921 8.165 0.756 1
1 498 . 13 1 1 A 46 46 TRP HA H 46 3.733 3.528 0.205 1
1 507 . 13 1 1 A 46 46 TRP C C 46 177.664 177.946 -0.282 1
1 508 . 13 1 1 A 46 46 TRP CA C 46 59.279 60.553 -1.274 1
1 509 . 13 1 1 A 46 46 TRP CB C 46 30.508 29.450 1.058 1
1 515 . 13 1 1 A 46 46 TRP N N 46 120.243 121.368 -1.125 1
1 517 . 13 1 1 A 47 47 ALA H H 47 7.918 9.329 -1.411 1
1 518 . 13 1 1 A 47 47 ALA HA H 47 3.918 3.965 -0.047 1
1 522 . 13 1 1 A 47 47 ALA C C 47 179.978 178.274 1.704 1
1 523 . 13 1 1 A 47 47 ALA CA C 47 55.011 55.038 -0.027 1
1 524 . 13 1 1 A 47 47 ALA CB C 47 18.581 18.555 0.026 1
1 525 . 13 1 1 A 47 47 ALA N N 47 117.935 120.824 -2.889 1
1 526 . 13 1 1 A 48 48 VAL H H 48 7.106 8.276 -1.170 1
1 527 . 13 1 1 A 48 48 VAL HA H 48 4.378 4.336 0.042 1
1 535 . 13 1 1 A 48 48 VAL C C 48 175.627 176.220 -0.593 1
1 536 . 13 1 1 A 48 48 VAL CA C 48 60.641 60.583 0.058 1
1 537 . 13 1 1 A 48 48 VAL CB C 48 31.865 31.564 0.301 1
1 540 . 13 1 1 A 48 48 VAL N N 48 107.757 110.450 -2.693 1
1 541 . 13 1 1 A 49 49 LEU H H 49 7.008 7.965 -0.957 1
1 542 . 13 1 1 A 49 49 LEU HA H 49 3.948 4.356 -0.408 1
1 552 . 13 1 1 A 49 49 LEU C C 49 176.258 175.584 0.674 1
1 553 . 13 1 1 A 49 49 LEU CA C 49 55.032 55.959 -0.927 1
1 554 . 13 1 1 A 49 49 LEU CB C 49 42.822 42.614 0.208 1
1 558 . 13 1 1 A 49 49 LEU N N 49 125.594 123.895 1.699 1
1 559 . 13 1 1 A 50 50 ASP H H 50 8.485 7.867 0.618 1
1 560 . 13 1 1 A 50 50 ASP HA H 50 4.643 4.751 -0.108 1
1 563 . 13 1 1 A 50 50 ASP CA C 50 52.855 52.567 0.288 1
1 564 . 13 1 1 A 50 50 ASP CB C 50 42.605 42.855 -0.250 1
1 565 . 13 1 1 A 51 51 PRO HA H 51 4.025 4.327 -0.302 1
1 572 . 13 1 1 A 51 51 PRO C C 51 179.166 178.477 0.689 1
1 573 . 13 1 1 A 51 51 PRO CA C 51 65.861 64.698 1.163 1
1 574 . 13 1 1 A 51 51 PRO CB C 51 32.458 32.052 0.406 1
1 577 . 13 1 1 A 52 52 LYS H H 52 8.866 8.349 0.517 1
1 578 . 13 1 1 A 52 52 LYS HA H 52 4.165 4.022 0.143 1
1 585 . 13 1 1 A 52 52 LYS C C 52 179.542 179.175 0.367 1
1 586 . 13 1 1 A 52 52 LYS CA C 52 59.484 59.682 -0.198 1
1 587 . 13 1 1 A 52 52 LYS CB C 52 31.906 31.942 -0.036 1
1 591 . 13 1 1 A 52 52 LYS N N 52 118.625 118.083 0.542 1
1 592 . 13 1 1 A 53 53 GLU H H 53 7.727 7.736 -0.009 1
1 593 . 13 1 1 A 53 53 GLU HA H 53 4.343 4.153 0.190 1
1 598 . 13 1 1 A 53 53 GLU C C 53 179.335 179.783 -0.448 1
1 599 . 13 1 1 A 53 53 GLU CA C 53 58.355 59.261 -0.906 1
1 600 . 13 1 1 A 53 53 GLU CB C 53 29.726 29.777 -0.051 1
1 602 . 13 1 1 A 53 53 GLU N N 53 120.460 119.692 0.768 1
1 603 . 13 1 1 A 54 54 LYS H H 54 8.194 7.987 0.207 1
1 604 . 13 1 1 A 54 54 LYS HA H 54 3.949 4.387 -0.438 1
1 613 . 13 1 1 A 54 54 LYS C C 54 179.566 179.140 0.426 1
1 614 . 13 1 1 A 54 54 LYS CA C 54 60.920 59.791 1.129 1
1 615 . 13 1 1 A 54 54 LYS CB C 54 32.481 32.033 0.448 1
1 619 . 13 1 1 A 54 54 LYS N N 54 118.859 118.804 0.055 1
1 620 . 13 1 1 A 55 55 GLN H H 55 7.965 8.033 -0.068 1
1 621 . 13 1 1 A 55 55 GLN HA H 55 4.025 4.087 -0.062 1
1 628 . 13 1 1 A 55 55 GLN C C 55 177.154 178.107 -0.953 1
1 629 . 13 1 1 A 55 55 GLN CA C 55 58.064 58.926 -0.862 1
1 630 . 13 1 1 A 55 55 GLN CB C 55 28.163 28.810 -0.647 1
1 632 . 13 1 1 A 55 55 GLN N N 55 117.922 119.590 -1.668 1
1 634 . 13 1 1 A 56 56 LYS H H 56 7.483 8.245 -0.762 1
1 635 . 13 1 1 A 56 56 LYS HA H 56 4.205 4.099 0.106 1
1 644 . 13 1 1 A 56 56 LYS C C 56 179.772 178.228 1.544 1
1 645 . 13 1 1 A 56 56 LYS CA C 56 59.671 59.063 0.608 1
1 646 . 13 1 1 A 56 56 LYS CB C 56 31.700 32.042 -0.342 1
1 650 . 13 1 1 A 56 56 LYS N N 56 118.491 118.610 -0.119 1
1 651 . 13 1 1 A 57 57 TYR H H 57 7.707 8.054 -0.347 1
1 652 . 13 1 1 A 57 57 TYR HA H 57 4.344 4.546 -0.202 1
1 659 . 13 1 1 A 57 57 TYR C C 57 177.966 178.506 -0.540 1
1 660 . 13 1 1 A 57 57 TYR CA C 57 62.784 60.277 2.507 1
1 661 . 13 1 1 A 57 57 TYR CB C 57 38.973 37.890 1.083 1
1 666 . 13 1 1 A 57 57 TYR N N 57 117.968 119.563 -1.595 1
1 667 . 13 1 1 A 58 58 THR H H 58 8.458 9.455 -0.997 1
1 668 . 13 1 1 A 58 58 THR HA H 58 4.074 4.022 0.052 1
1 673 . 13 1 1 A 58 58 THR C C 58 177.203 176.152 1.051 1
1 674 . 13 1 1 A 58 58 THR CA C 58 67.168 67.204 -0.036 1
1 675 . 13 1 1 A 58 58 THR CB C 58 68.401 68.597 -0.196 1
1 677 . 13 1 1 A 58 58 THR N N 58 118.700 115.725 2.975 1
1 678 . 13 1 1 A 59 59 ASP H H 59 8.807 8.470 0.337 1
1 679 . 13 1 1 A 59 59 ASP HA H 59 4.514 4.425 0.089 1
1 682 . 13 1 1 A 59 59 ASP C C 59 179.154 178.623 0.531 1
1 683 . 13 1 1 A 59 59 ASP CA C 59 57.754 57.605 0.149 1
1 684 . 13 1 1 A 59 59 ASP CB C 59 39.801 41.121 -1.320 1
1 685 . 13 1 1 A 59 59 ASP N N 59 123.812 121.376 2.436 1
1 686 . 13 1 1 A 60 60 MET H H 60 8.085 8.384 -0.299 1
1 687 . 13 1 1 A 60 60 MET HA H 60 4.161 4.175 -0.014 1
1 695 . 13 1 1 A 60 60 MET C C 60 178.378 178.590 -0.212 1
1 696 . 13 1 1 A 60 60 MET CA C 60 58.980 58.969 0.011 1
1 697 . 13 1 1 A 60 60 MET CB C 60 34.227 32.498 1.729 1
1 700 . 13 1 1 A 60 60 MET N N 60 120.481 118.193 2.288 1
1 701 . 13 1 1 A 61 61 ALA H H 61 8.296 7.978 0.318 1
1 702 . 13 1 1 A 61 61 ALA HA H 61 4.114 4.241 -0.127 1
1 706 . 13 1 1 A 61 61 ALA C C 61 179.408 179.492 -0.084 1
1 707 . 13 1 1 A 61 61 ALA CA C 61 54.935 55.563 -0.628 1
1 708 . 13 1 1 A 61 61 ALA CB C 61 17.759 18.268 -0.509 1
1 709 . 13 1 1 A 61 61 ALA N N 61 121.147 121.163 -0.016 1
1 710 . 13 1 1 A 62 62 LYS H H 62 7.812 8.338 -0.526 1
1 711 . 13 1 1 A 62 62 LYS HA H 62 4.177 3.924 0.253 1
1 720 . 13 1 1 A 62 62 LYS C C 62 177.979 179.329 -1.350 1
1 721 . 13 1 1 A 62 62 LYS CA C 62 59.289 59.972 -0.683 1
1 722 . 13 1 1 A 62 62 LYS CB C 62 32.539 32.545 -0.006 1
1 726 . 13 1 1 A 62 62 LYS N N 62 119.686 117.942 1.744 1
1 727 . 13 1 1 A 63 63 GLU H H 63 7.810 8.450 -0.640 1
1 728 . 13 1 1 A 63 63 GLU HA H 63 4.216 4.063 0.153 1
1 733 . 13 1 1 A 63 63 GLU C C 63 178.597 179.022 -0.425 1
1 734 . 13 1 1 A 63 63 GLU CA C 63 58.386 59.247 -0.861 1
1 735 . 13 1 1 A 63 63 GLU CB C 63 29.644 29.375 0.269 1
1 737 . 13 1 1 A 63 63 GLU N N 63 118.765 117.903 0.862 1
1 738 . 13 1 1 A 64 64 TYR H H 64 8.098 8.319 -0.221 1
1 739 . 13 1 1 A 64 64 TYR HA H 64 4.395 4.255 0.140 1
1 746 . 13 1 1 A 64 64 TYR C C 64 177.639 178.310 -0.671 1
1 747 . 13 1 1 A 64 64 TYR CA C 64 60.006 61.706 -1.700 1
1 748 . 13 1 1 A 64 64 TYR CB C 64 38.198 38.016 0.182 1
1 753 . 13 1 1 A 64 64 TYR N N 64 119.914 120.334 -0.420 1
1 754 . 13 1 1 A 65 65 LYS H H 65 8.225 9.351 -1.126 1
1 755 . 13 1 1 A 65 65 LYS HA H 65 4.146 4.034 0.112 1
1 764 . 13 1 1 A 65 65 LYS C C 65 177.481 178.032 -0.551 1
1 765 . 13 1 1 A 65 65 LYS CA C 65 58.793 59.888 -1.095 1
1 766 . 13 1 1 A 65 65 LYS CB C 65 32.523 32.267 0.256 1
1 770 . 13 1 1 A 65 65 LYS N N 65 122.842 121.076 1.766 1
1 771 . 13 1 1 A 66 66 ASP H H 66 8.402 8.040 0.362 1
1 772 . 13 1 1 A 66 66 ASP HA H 66 4.485 4.347 0.138 1
1 775 . 13 1 1 A 66 66 ASP C C 66 177.930 178.218 -0.288 1
1 776 . 13 1 1 A 66 66 ASP CA C 66 56.423 57.697 -1.274 1
1 777 . 13 1 1 A 66 66 ASP CB C 66 40.829 40.991 -0.162 1
1 778 . 13 1 1 A 66 66 ASP N N 66 120.424 119.444 0.980 1
1 779 . 13 1 1 A 67 67 ALA H H 67 7.989 7.748 0.241 1
1 780 . 13 1 1 A 67 67 ALA HA H 67 4.151 4.065 0.086 1
1 784 . 13 1 1 A 67 67 ALA C C 67 179.457 179.779 -0.322 1
1 785 . 13 1 1 A 67 67 ALA CA C 67 54.274 55.059 -0.785 1
1 786 . 13 1 1 A 67 67 ALA CB C 67 18.499 18.711 -0.212 1
1 787 . 13 1 1 A 67 67 ALA N N 67 122.273 121.471 0.802 1
1 788 . 13 1 1 A 68 68 PHE H H 68 8.235 8.442 -0.207 1
1 789 . 13 1 1 A 68 68 PHE HA H 68 4.314 3.962 0.352 1
1 796 . 13 1 1 A 68 68 PHE C C 68 177.421 175.813 1.608 1
1 797 . 13 1 1 A 68 68 PHE CA C 68 60.193 61.715 -1.522 1
1 798 . 13 1 1 A 68 68 PHE CB C 68 39.390 39.196 0.194 1
1 803 . 13 1 1 A 68 68 PHE N N 68 119.632 119.526 0.106 1
1 804 . 13 1 1 A 69 69 MET H H 69 8.325 8.379 -0.054 1
1 805 . 13 1 1 A 69 69 MET HA H 69 4.296 4.173 0.123 1
1 813 . 13 1 1 A 69 69 MET C C 69 177.651 176.482 1.169 1
1 814 . 13 1 1 A 69 69 MET CA C 69 56.645 54.667 1.978 1
1 815 . 13 1 1 A 69 69 MET CB C 69 32.108 33.559 -1.451 1
1 818 . 13 1 1 A 69 69 MET N N 69 119.223 116.804 2.419 1
1 819 . 13 1 1 A 70 70 LYS H H 70 7.864 7.802 0.062 1
1 820 . 13 1 1 A 70 70 LYS HA H 70 4.092 3.859 0.233 1
1 829 . 13 1 1 A 70 70 LYS C C 70 177.009 177.046 -0.037 1
1 830 . 13 1 1 A 70 70 LYS CA C 70 57.769 58.064 -0.295 1
1 831 . 13 1 1 A 70 70 LYS CB C 70 32.687 32.100 0.587 1
1 835 . 13 1 1 A 70 70 LYS N N 70 120.004 121.112 -1.108 1
1 836 . 13 1 1 A 71 71 ALA H H 71 7.670 8.791 -1.121 1
1 837 . 13 1 1 A 71 71 ALA HA H 71 4.264 4.045 0.219 1
1 841 . 13 1 1 A 71 71 ALA C C 71 177.009 178.529 -1.520 1
1 842 . 13 1 1 A 71 71 ALA CA C 71 52.603 55.081 -2.478 1
1 843 . 13 1 1 A 71 71 ALA CB C 71 19.321 18.399 0.922 1
1 844 . 13 1 1 A 71 71 ALA N N 71 121.270 120.955 0.315 1
1 845 . 13 1 1 A 72 72 ASN H H 72 7.846 7.645 0.201 1
1 846 . 13 1 1 A 72 72 ASN HA H 72 4.972 4.747 0.225 1
1 851 . 13 1 1 A 72 72 ASN C C 72 172.453 175.218 -2.765 1
1 852 . 13 1 1 A 72 72 ASN CA C 72 51.185 52.174 -0.989 1
1 853 . 13 1 1 A 72 72 ASN CB C 72 39.350 37.864 1.486 1
1 854 . 13 1 1 A 72 72 ASN N N 72 117.432 116.477 0.955 1
1 856 . 13 1 1 A 73 73 PRO HA H 73 4.465 4.506 -0.041 1
1 863 . 13 1 1 A 73 73 PRO C C 73 177.857 177.073 0.784 1
1 864 . 13 1 1 A 73 73 PRO CA C 73 63.972 65.489 -1.517 1
1 865 . 13 1 1 A 73 73 PRO CB C 73 31.884 31.927 -0.043 1
1 868 . 13 1 1 A 74 74 GLY H H 74 8.538 8.147 0.391 1
1 869 . 13 1 1 A 74 74 GLY HA2 H 74 3.881 4.029 -0.148 1
1 870 . 13 1 1 A 74 74 GLY HA3 H 74 3.957 4.071 -0.114 1
1 871 . 13 1 1 A 74 74 GLY C C 74 174.210 174.504 -0.294 1
1 872 . 13 1 1 A 74 74 GLY CA C 74 45.216 45.003 0.213 1
1 873 . 13 1 1 A 74 74 GLY N N 74 108.444 106.308 2.136 1
1 874 . 13 1 1 A 75 75 TYR H H 75 7.878 8.377 -0.499 1
1 875 . 13 1 1 A 75 75 TYR HA H 75 4.449 4.738 -0.289 1
1 882 . 13 1 1 A 75 75 TYR C C 75 175.640 176.067 -0.427 1
1 883 . 13 1 1 A 75 75 TYR CA C 75 58.778 57.447 1.331 1
1 884 . 13 1 1 A 75 75 TYR CB C 75 38.856 40.157 -1.301 1
1 889 . 13 1 1 A 75 75 TYR N N 75 120.970 121.479 -0.509 1
1 890 . 13 1 1 A 76 76 ARG H H 76 8.039 6.799 1.240 1
1 891 . 13 1 1 A 76 76 ARG HA H 76 4.346 3.866 0.480 1
1 898 . 13 1 1 A 76 76 ARG C C 76 175.482 175.857 -0.375 1
1 899 . 13 1 1 A 76 76 ARG CA C 76 55.510 56.566 -1.056 1
1 900 . 13 1 1 A 76 76 ARG CB C 76 31.307 29.266 2.041 1
1 903 . 13 1 1 A 76 76 ARG N N 76 124.540 116.383 8.157 1
1 904 . 13 1 1 A 77 77 SER HA H 77 4.430 4.654 -0.224 1
1 907 . 13 1 1 A 77 77 SER CA C 77 58.319 60.087 -1.768 1
1 908 . 13 1 1 A 77 77 SER CB C 77 63.982 63.963 0.019 1
1 909 . 13 1 1 A 78 78 GLY HA2 H 78 4.154 4.041 0.113 1
1 910 . 13 1 1 A 78 78 GLY HA3 H 78 4.154 4.053 0.101 1
1 911 . 13 1 1 A 78 78 GLY CA C 78 44.731 45.185 -0.454 1
1 912 . 13 1 1 A 79 79 PRO HA H 79 4.495 4.543 -0.048 1
1 917 . 13 1 1 A 79 79 PRO CA C 79 63.366 62.377 0.989 1
1 918 . 13 1 1 A 79 79 PRO CB C 79 32.289 32.487 -0.198 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.967 4.428 -0.461 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.967 4.439 -0.472 1
1 3 . 14 1 1 A 7 7 GLY C C 7 173.907 173.306 0.601 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.273 45.055 0.218 1
1 5 . 14 1 1 A 8 8 ALA H H 8 8.092 8.190 -0.098 1
1 6 . 14 1 1 A 8 8 ALA HA H 8 4.335 4.420 -0.085 1
1 10 . 14 1 1 A 8 8 ALA C C 8 177.772 177.871 -0.099 1
1 11 . 14 1 1 A 8 8 ALA CA C 8 52.468 53.063 -0.595 1
1 12 . 14 1 1 A 8 8 ALA CB C 8 19.404 20.230 -0.826 1
1 13 . 14 1 1 A 8 8 ALA N N 8 123.589 123.314 0.275 1
1 14 . 14 1 1 A 9 9 ARG H H 9 8.298 8.261 0.037 1
1 15 . 14 1 1 A 9 9 ARG HA H 9 4.348 4.218 0.130 1
1 22 . 14 1 1 A 9 9 ARG C C 9 175.894 176.208 -0.314 1
1 23 . 14 1 1 A 9 9 ARG CA C 9 55.999 58.288 -2.289 1
1 24 . 14 1 1 A 9 9 ARG CB C 9 30.813 31.066 -0.253 1
1 27 . 14 1 1 A 9 9 ARG N N 9 120.366 118.302 2.064 1
1 28 . 14 1 1 A 10 10 ARG H H 10 8.212 7.423 0.789 1
1 29 . 14 1 1 A 10 10 ARG HA H 10 4.468 4.436 0.032 1
1 36 . 14 1 1 A 10 10 ARG C C 10 173.810 175.610 -1.800 1
1 37 . 14 1 1 A 10 10 ARG CA C 10 53.783 55.367 -1.584 1
1 38 . 14 1 1 A 10 10 ARG CB C 10 30.384 30.252 0.132 1
1 41 . 14 1 1 A 10 10 ARG N N 10 122.690 117.518 5.172 1
1 42 . 14 1 1 A 11 11 PRO HA H 11 4.322 4.157 0.165 1
1 49 . 14 1 1 A 11 11 PRO C C 11 176.427 176.366 0.061 1
1 50 . 14 1 1 A 11 11 PRO CA C 11 62.905 62.124 0.781 1
1 51 . 14 1 1 A 11 11 PRO CB C 11 31.929 32.228 -0.299 1
1 54 . 14 1 1 A 12 12 MET H H 12 8.237 8.266 -0.029 1
1 55 . 14 1 1 A 12 12 MET HA H 12 4.441 4.534 -0.093 1
1 63 . 14 1 1 A 12 12 MET C C 12 175.094 176.437 -1.343 1
1 64 . 14 1 1 A 12 12 MET CA C 12 55.400 54.320 1.080 1
1 65 . 14 1 1 A 12 12 MET CB C 12 33.327 33.071 0.256 1
1 68 . 14 1 1 A 12 12 MET N N 12 120.543 118.988 1.555 1
1 69 . 14 1 1 A 13 13 ASN H H 13 7.399 8.472 -1.073 1
1 70 . 14 1 1 A 13 13 ASN HA H 13 4.650 5.104 -0.454 1
1 75 . 14 1 1 A 13 13 ASN C C 13 174.743 175.608 -0.865 1
1 76 . 14 1 1 A 13 13 ASN CA C 13 52.456 51.344 1.112 1
1 77 . 14 1 1 A 13 13 ASN CB C 13 39.513 39.321 0.192 1
1 78 . 14 1 1 A 13 13 ASN N N 13 118.399 119.262 -0.863 1
1 80 . 14 1 1 A 14 14 ALA H H 14 8.681 8.802 -0.121 1
1 81 . 14 1 1 A 14 14 ALA HA H 14 3.964 4.158 -0.194 1
1 85 . 14 1 1 A 14 14 ALA C C 14 177.736 179.398 -1.662 1
1 86 . 14 1 1 A 14 14 ALA CA C 14 56.221 55.095 1.126 1
1 87 . 14 1 1 A 14 14 ALA CB C 14 19.568 18.625 0.943 1
1 88 . 14 1 1 A 14 14 ALA N N 14 122.169 121.556 0.613 1
1 89 . 14 1 1 A 15 15 PHE H H 15 8.002 8.113 -0.111 1
1 90 . 14 1 1 A 15 15 PHE HA H 15 2.866 2.299 0.567 1
1 98 . 14 1 1 A 15 15 PHE C C 15 177.821 176.502 1.319 1
1 99 . 14 1 1 A 15 15 PHE CA C 15 59.132 60.749 -1.617 1
1 100 . 14 1 1 A 15 15 PHE CB C 15 38.239 38.627 -0.388 1
1 106 . 14 1 1 A 15 15 PHE N N 15 116.867 118.774 -1.907 1
1 107 . 14 1 1 A 16 16 LEU H H 16 8.264 8.913 -0.649 1
1 108 . 14 1 1 A 16 16 LEU HA H 16 3.642 3.736 -0.094 1
1 118 . 14 1 1 A 16 16 LEU C C 16 180.354 178.749 1.605 1
1 119 . 14 1 1 A 16 16 LEU CA C 16 58.236 57.777 0.459 1
1 120 . 14 1 1 A 16 16 LEU CB C 16 41.365 41.576 -0.211 1
1 124 . 14 1 1 A 16 16 LEU N N 16 120.647 120.129 0.518 1
1 125 . 14 1 1 A 17 17 LEU H H 17 7.977 8.237 -0.260 1
1 126 . 14 1 1 A 17 17 LEU HA H 17 4.065 3.960 0.105 1
1 136 . 14 1 1 A 17 17 LEU C C 17 178.984 179.083 -0.099 1
1 137 . 14 1 1 A 17 17 LEU CA C 17 58.165 58.241 -0.076 1
1 138 . 14 1 1 A 17 17 LEU CB C 17 41.693 42.049 -0.356 1
1 142 . 14 1 1 A 17 17 LEU N N 17 121.855 118.982 2.873 1
1 143 . 14 1 1 A 18 18 PHE H H 18 8.136 7.935 0.201 1
1 144 . 14 1 1 A 18 18 PHE HA H 18 3.769 4.594 -0.825 1
1 150 . 14 1 1 A 18 18 PHE C C 18 179.020 178.290 0.730 1
1 151 . 14 1 1 A 18 18 PHE CA C 18 62.333 61.912 0.421 1
1 152 . 14 1 1 A 18 18 PHE CB C 18 39.122 38.938 0.184 1
1 156 . 14 1 1 A 18 18 PHE N N 18 122.907 118.558 4.349 1
1 157 . 14 1 1 A 19 19 CYS H H 19 8.520 8.029 0.491 1
1 158 . 14 1 1 A 19 19 CYS HA H 19 3.728 4.321 -0.593 1
1 161 . 14 1 1 A 19 19 CYS C C 19 176.136 176.545 -0.409 1
1 162 . 14 1 1 A 19 19 CYS CA C 19 64.313 62.256 2.057 1
1 163 . 14 1 1 A 19 19 CYS CB C 19 26.577 26.893 -0.316 1
1 164 . 14 1 1 A 19 19 CYS N N 19 119.069 118.084 0.985 1
1 165 . 14 1 1 A 20 20 LYS H H 20 7.969 8.069 -0.100 1
1 166 . 14 1 1 A 20 20 LYS HA H 20 3.953 4.122 -0.169 1
1 175 . 14 1 1 A 20 20 LYS C C 20 179.133 178.280 0.853 1
1 176 . 14 1 1 A 20 20 LYS CA C 20 59.295 58.777 0.518 1
1 177 . 14 1 1 A 20 20 LYS CB C 20 32.111 32.307 -0.196 1
1 181 . 14 1 1 A 20 20 LYS N N 20 119.888 119.334 0.554 1
1 182 . 14 1 1 A 21 21 ARG H H 21 7.493 7.761 -0.268 1
1 183 . 14 1 1 A 21 21 ARG HA H 21 4.166 4.303 -0.137 1
1 190 . 14 1 1 A 21 21 ARG C C 21 177.239 177.721 -0.482 1
1 191 . 14 1 1 A 21 21 ARG CA C 21 57.575 57.771 -0.196 1
1 192 . 14 1 1 A 21 21 ARG CB C 21 30.137 30.945 -0.808 1
1 195 . 14 1 1 A 21 21 ARG N N 21 116.105 118.195 -2.090 1
1 196 . 14 1 1 A 22 22 HIS H H 22 7.354 8.554 -1.200 1
1 197 . 14 1 1 A 22 22 HIS HA H 22 4.706 4.431 0.275 1
1 201 . 14 1 1 A 22 22 HIS C C 22 175.627 176.804 -1.177 1
1 202 . 14 1 1 A 22 22 HIS CA C 22 58.593 58.589 0.004 1
1 203 . 14 1 1 A 22 22 HIS CB C 22 30.754 30.042 0.712 1
1 205 . 14 1 1 A 22 22 HIS N N 22 113.808 117.334 -3.526 1
1 206 . 14 1 1 A 23 23 ARG H H 23 8.372 7.937 0.435 1
1 207 . 14 1 1 A 23 23 ARG HA H 23 3.793 3.846 -0.053 1
1 214 . 14 1 1 A 23 23 ARG C C 23 177.930 178.697 -0.767 1
1 215 . 14 1 1 A 23 23 ARG CA C 23 60.747 59.601 1.146 1
1 216 . 14 1 1 A 23 23 ARG CB C 23 29.251 30.297 -1.046 1
1 219 . 14 1 1 A 23 23 ARG N N 23 123.560 121.065 2.495 1
1 220 . 14 1 1 A 24 24 SER HA H 24 4.163 4.149 0.014 1
1 223 . 14 1 1 A 24 24 SER CA C 24 61.523 62.413 -0.890 1
1 224 . 14 1 1 A 24 24 SER CB C 24 62.116 62.907 -0.791 1
1 225 . 14 1 1 A 25 25 LEU H H 25 7.504 8.274 -0.770 1
1 226 . 14 1 1 A 25 25 LEU HA H 25 4.265 4.037 0.228 1
1 236 . 14 1 1 A 25 25 LEU C C 25 179.336 178.682 0.654 1
1 237 . 14 1 1 A 25 25 LEU CA C 25 57.837 58.544 -0.707 1
1 238 . 14 1 1 A 25 25 LEU CB C 25 41.470 42.139 -0.669 1
1 242 . 14 1 1 A 25 25 LEU N N 25 124.174 123.058 1.116 1
1 243 . 14 1 1 A 26 26 VAL H H 26 7.802 8.125 -0.323 1
1 244 . 14 1 1 A 26 26 VAL HA H 26 3.833 3.497 0.336 1
1 252 . 14 1 1 A 26 26 VAL C C 26 177.712 177.968 -0.256 1
1 253 . 14 1 1 A 26 26 VAL CA C 26 66.662 67.005 -0.343 1
1 254 . 14 1 1 A 26 26 VAL CB C 26 31.670 31.193 0.477 1
1 257 . 14 1 1 A 26 26 VAL N N 26 119.266 118.560 0.706 1
1 258 . 14 1 1 A 27 27 ARG H H 27 7.922 8.593 -0.671 1
1 259 . 14 1 1 A 27 27 ARG HA H 27 4.043 3.983 0.060 1
1 266 . 14 1 1 A 27 27 ARG C C 27 177.785 178.786 -1.001 1
1 267 . 14 1 1 A 27 27 ARG CA C 27 58.683 60.062 -1.379 1
1 268 . 14 1 1 A 27 27 ARG CB C 27 29.720 29.928 -0.208 1
1 271 . 14 1 1 A 27 27 ARG N N 27 118.035 119.380 -1.345 1
1 272 . 14 1 1 A 28 28 GLN H H 28 7.707 8.514 -0.807 1
1 273 . 14 1 1 A 28 28 GLN HA H 28 4.092 4.140 -0.048 1
1 280 . 14 1 1 A 28 28 GLN C C 28 177.785 178.739 -0.954 1
1 281 . 14 1 1 A 28 28 GLN CA C 28 58.233 58.794 -0.561 1
1 282 . 14 1 1 A 28 28 GLN CB C 28 29.191 28.621 0.570 1
1 284 . 14 1 1 A 28 28 GLN N N 28 116.893 118.191 -1.298 1
1 286 . 14 1 1 A 29 29 GLU H H 29 7.864 8.613 -0.749 1
1 287 . 14 1 1 A 29 29 GLU HA H 29 4.131 4.021 0.110 1
1 292 . 14 1 1 A 29 29 GLU C C 29 176.246 176.162 0.084 1
1 293 . 14 1 1 A 29 29 GLU CA C 29 57.808 58.922 -1.114 1
1 294 . 14 1 1 A 29 29 GLU CB C 29 31.004 29.703 1.301 1
1 296 . 14 1 1 A 29 29 GLU N N 29 116.949 118.692 -1.743 1
1 297 . 14 1 1 A 30 30 HIS H H 30 8.058 8.569 -0.511 1
1 298 . 14 1 1 A 30 30 HIS HA H 30 5.071 5.101 -0.030 1
1 303 . 14 1 1 A 30 30 HIS C C 30 173.519 173.991 -0.472 1
1 304 . 14 1 1 A 30 30 HIS CA C 30 53.347 53.255 0.092 1
1 305 . 14 1 1 A 30 30 HIS CB C 30 30.649 29.687 0.962 1
1 308 . 14 1 1 A 30 30 HIS N N 30 116.711 117.001 -0.290 1
1 309 . 14 1 1 A 31 31 PRO HA H 31 4.648 4.387 0.261 1
1 316 . 14 1 1 A 31 31 PRO C C 31 178.197 179.220 -1.023 1
1 317 . 14 1 1 A 31 31 PRO CA C 31 64.911 65.528 -0.617 1
1 318 . 14 1 1 A 31 31 PRO CB C 31 32.458 31.735 0.723 1
1 321 . 14 1 1 A 32 32 ARG H H 32 8.617 8.509 0.108 1
1 322 . 14 1 1 A 32 32 ARG HA H 32 4.406 4.099 0.307 1
1 329 . 14 1 1 A 32 32 ARG C C 32 176.815 177.347 -0.532 1
1 330 . 14 1 1 A 32 32 ARG CA C 32 55.959 58.948 -2.989 1
1 331 . 14 1 1 A 32 32 ARG CB C 32 29.808 29.942 -0.134 1
1 334 . 14 1 1 A 32 32 ARG N N 32 116.125 118.981 -2.856 1
1 335 . 14 1 1 A 33 33 LEU H H 33 7.421 7.748 -0.327 1
1 336 . 14 1 1 A 33 33 LEU HA H 33 4.409 4.255 0.154 1
1 346 . 14 1 1 A 33 33 LEU C C 33 177.349 176.317 1.032 1
1 347 . 14 1 1 A 33 33 LEU CA C 33 55.140 55.204 -0.064 1
1 348 . 14 1 1 A 33 33 LEU CB C 33 43.420 42.574 0.846 1
1 352 . 14 1 1 A 33 33 LEU N N 33 120.576 121.067 -0.491 1
1 353 . 14 1 1 A 34 34 ASP H H 34 8.168 8.710 -0.542 1
1 354 . 14 1 1 A 34 34 ASP HA H 34 4.646 4.887 -0.241 1
1 357 . 14 1 1 A 34 34 ASP C C 34 175.821 175.846 -0.025 1
1 358 . 14 1 1 A 34 34 ASP CA C 34 52.415 52.493 -0.078 1
1 359 . 14 1 1 A 34 34 ASP CB C 34 41.177 41.162 0.015 1
1 360 . 14 1 1 A 34 34 ASP N N 34 122.502 123.340 -0.838 1
1 361 . 14 1 1 A 35 35 ASN HA H 35 4.395 4.573 -0.178 1
1 366 . 14 1 1 A 35 35 ASN CA C 35 57.033 55.391 1.642 1
1 367 . 14 1 1 A 35 35 ASN CB C 35 38.344 38.110 0.234 1
1 369 . 14 1 1 A 36 36 ARG HA H 36 4.096 4.008 0.088 1
1 376 . 14 1 1 A 36 36 ARG C C 36 179.554 178.412 1.142 1
1 377 . 14 1 1 A 36 36 ARG CA C 36 59.527 59.683 -0.156 1
1 378 . 14 1 1 A 36 36 ARG CB C 36 29.626 30.011 -0.385 1
1 381 . 14 1 1 A 37 37 GLY H H 37 8.618 8.238 0.380 1
1 382 . 14 1 1 A 37 37 GLY HA2 H 37 3.888 3.734 0.154 1
1 383 . 14 1 1 A 37 37 GLY HA3 H 37 3.754 3.735 0.019 1
1 384 . 14 1 1 A 37 37 GLY C C 37 176.597 175.902 0.695 1
1 385 . 14 1 1 A 37 37 GLY CA C 37 47.048 47.172 -0.124 1
1 386 . 14 1 1 A 37 37 GLY N N 37 110.017 106.686 3.331 1
1 387 . 14 1 1 A 38 38 ALA H H 38 8.619 7.947 0.672 1
1 388 . 14 1 1 A 38 38 ALA HA H 38 3.945 3.907 0.038 1
1 392 . 14 1 1 A 38 38 ALA C C 38 178.924 179.188 -0.264 1
1 393 . 14 1 1 A 38 38 ALA CA C 38 55.123 54.364 0.759 1
1 394 . 14 1 1 A 38 38 ALA CB C 38 18.046 18.254 -0.208 1
1 395 . 14 1 1 A 38 38 ALA N N 38 124.889 124.517 0.372 1
1 396 . 14 1 1 A 39 39 THR H H 39 8.239 7.778 0.461 1
1 397 . 14 1 1 A 39 39 THR HA H 39 3.895 4.077 -0.182 1
1 402 . 14 1 1 A 39 39 THR C C 39 175.252 176.167 -0.915 1
1 403 . 14 1 1 A 39 39 THR CA C 39 66.889 65.404 1.485 1
1 404 . 14 1 1 A 39 39 THR CB C 39 68.607 68.366 0.241 1
1 406 . 14 1 1 A 39 39 THR N N 39 114.810 113.706 1.104 1
1 407 . 14 1 1 A 40 40 LYS H H 40 7.518 8.914 -1.396 1
1 408 . 14 1 1 A 40 40 LYS HA H 40 4.098 4.125 -0.027 1
1 417 . 14 1 1 A 40 40 LYS C C 40 178.330 179.092 -0.762 1
1 418 . 14 1 1 A 40 40 LYS CA C 40 59.746 58.508 1.238 1
1 419 . 14 1 1 A 40 40 LYS CB C 40 32.106 32.889 -0.783 1
1 423 . 14 1 1 A 40 40 LYS N N 40 122.046 120.583 1.463 1
1 424 . 14 1 1 A 41 41 ILE H H 41 7.218 7.509 -0.291 1
1 425 . 14 1 1 A 41 41 ILE HA H 41 3.722 3.682 0.040 1
1 435 . 14 1 1 A 41 41 ILE C C 41 178.197 178.140 0.057 1
1 436 . 14 1 1 A 41 41 ILE CA C 41 64.055 64.535 -0.480 1
1 437 . 14 1 1 A 41 41 ILE CB C 41 36.482 36.346 0.136 1
1 441 . 14 1 1 A 41 41 ILE N N 41 119.019 121.397 -2.378 1
1 442 . 14 1 1 A 42 42 LEU H H 42 7.940 7.918 0.022 1
1 443 . 14 1 1 A 42 42 LEU HA H 42 3.988 3.776 0.212 1
1 453 . 14 1 1 A 42 42 LEU C C 42 179.251 179.032 0.219 1
1 454 . 14 1 1 A 42 42 LEU CA C 42 58.605 57.624 0.981 1
1 455 . 14 1 1 A 42 42 LEU CB C 42 41.694 40.944 0.750 1
1 459 . 14 1 1 A 42 42 LEU N N 42 119.163 121.133 -1.970 1
1 460 . 14 1 1 A 43 43 ALA H H 43 8.732 7.888 0.844 1
1 461 . 14 1 1 A 43 43 ALA HA H 43 4.222 4.381 -0.159 1
1 465 . 14 1 1 A 43 43 ALA C C 43 180.899 179.215 1.684 1
1 466 . 14 1 1 A 43 43 ALA CA C 43 55.699 55.667 0.032 1
1 467 . 14 1 1 A 43 43 ALA CB C 43 17.859 18.707 -0.848 1
1 468 . 14 1 1 A 43 43 ALA N N 43 122.225 121.898 0.327 1
1 469 . 14 1 1 A 44 44 ASP H H 44 8.350 8.168 0.182 1
1 470 . 14 1 1 A 44 44 ASP HA H 44 4.545 4.409 0.136 1
1 473 . 14 1 1 A 44 44 ASP C C 44 179.227 178.665 0.562 1
1 474 . 14 1 1 A 44 44 ASP CA C 44 57.507 57.580 -0.073 1
1 475 . 14 1 1 A 44 44 ASP CB C 44 39.719 41.232 -1.513 1
1 476 . 14 1 1 A 44 44 ASP N N 44 122.950 118.584 4.366 1
1 477 . 14 1 1 A 45 45 TRP H H 45 8.831 8.368 0.463 1
1 478 . 14 1 1 A 45 45 TRP HA H 45 4.692 4.370 0.322 1
1 487 . 14 1 1 A 45 45 TRP C C 45 179.057 178.826 0.231 1
1 488 . 14 1 1 A 45 45 TRP CA C 45 58.008 59.697 -1.689 1
1 489 . 14 1 1 A 45 45 TRP CB C 45 29.520 29.833 -0.313 1
1 495 . 14 1 1 A 45 45 TRP N N 45 122.321 119.919 2.402 1
1 497 . 14 1 1 A 46 46 TRP H H 46 8.921 8.066 0.855 1
1 498 . 14 1 1 A 46 46 TRP HA H 46 3.733 3.471 0.262 1
1 507 . 14 1 1 A 46 46 TRP C C 46 177.664 177.961 -0.297 1
1 508 . 14 1 1 A 46 46 TRP CA C 46 59.279 60.612 -1.333 1
1 509 . 14 1 1 A 46 46 TRP CB C 46 30.508 28.937 1.571 1
1 515 . 14 1 1 A 46 46 TRP N N 46 120.243 121.338 -1.095 1
1 517 . 14 1 1 A 47 47 ALA H H 47 7.918 8.968 -1.050 1
1 518 . 14 1 1 A 47 47 ALA HA H 47 3.918 4.094 -0.176 1
1 522 . 14 1 1 A 47 47 ALA C C 47 179.978 178.029 1.949 1
1 523 . 14 1 1 A 47 47 ALA CA C 47 55.011 54.718 0.293 1
1 524 . 14 1 1 A 47 47 ALA CB C 47 18.581 18.597 -0.016 1
1 525 . 14 1 1 A 47 47 ALA N N 47 117.935 121.332 -3.397 1
1 526 . 14 1 1 A 48 48 VAL H H 48 7.106 7.489 -0.383 1
1 527 . 14 1 1 A 48 48 VAL HA H 48 4.378 4.422 -0.044 1
1 535 . 14 1 1 A 48 48 VAL C C 48 175.627 174.584 1.043 1
1 536 . 14 1 1 A 48 48 VAL CA C 48 60.641 60.535 0.106 1
1 537 . 14 1 1 A 48 48 VAL CB C 48 31.865 31.532 0.333 1
1 540 . 14 1 1 A 48 48 VAL N N 48 107.757 107.825 -0.068 1
1 541 . 14 1 1 A 49 49 LEU H H 49 7.008 7.481 -0.473 1
1 542 . 14 1 1 A 49 49 LEU HA H 49 3.948 5.175 -1.227 1
1 552 . 14 1 1 A 49 49 LEU C C 49 176.258 174.112 2.146 1
1 553 . 14 1 1 A 49 49 LEU CA C 49 55.032 53.371 1.661 1
1 554 . 14 1 1 A 49 49 LEU CB C 49 42.822 46.374 -3.552 1
1 558 . 14 1 1 A 49 49 LEU N N 49 125.594 124.556 1.038 1
1 559 . 14 1 1 A 50 50 ASP H H 50 8.485 8.841 -0.356 1
1 560 . 14 1 1 A 50 50 ASP HA H 50 4.643 4.806 -0.163 1
1 563 . 14 1 1 A 50 50 ASP CA C 50 52.855 52.353 0.502 1
1 564 . 14 1 1 A 50 50 ASP CB C 50 42.605 40.858 1.747 1
1 565 . 14 1 1 A 51 51 PRO HA H 51 4.025 4.239 -0.214 1
1 572 . 14 1 1 A 51 51 PRO C C 51 179.166 178.867 0.299 1
1 573 . 14 1 1 A 51 51 PRO CA C 51 65.861 65.609 0.252 1
1 574 . 14 1 1 A 51 51 PRO CB C 51 32.458 31.585 0.873 1
1 577 . 14 1 1 A 52 52 LYS H H 52 8.866 8.288 0.578 1
1 578 . 14 1 1 A 52 52 LYS HA H 52 4.165 3.996 0.169 1
1 585 . 14 1 1 A 52 52 LYS C C 52 179.542 179.132 0.410 1
1 586 . 14 1 1 A 52 52 LYS CA C 52 59.484 59.819 -0.335 1
1 587 . 14 1 1 A 52 52 LYS CB C 52 31.906 32.298 -0.392 1
1 591 . 14 1 1 A 52 52 LYS N N 52 118.625 118.101 0.524 1
1 592 . 14 1 1 A 53 53 GLU H H 53 7.727 8.184 -0.457 1
1 593 . 14 1 1 A 53 53 GLU HA H 53 4.343 4.137 0.206 1
1 598 . 14 1 1 A 53 53 GLU C C 53 179.335 179.842 -0.507 1
1 599 . 14 1 1 A 53 53 GLU CA C 53 58.355 59.459 -1.104 1
1 600 . 14 1 1 A 53 53 GLU CB C 53 29.726 29.611 0.115 1
1 602 . 14 1 1 A 53 53 GLU N N 53 120.460 119.898 0.562 1
1 603 . 14 1 1 A 54 54 LYS H H 54 8.194 7.664 0.530 1
1 604 . 14 1 1 A 54 54 LYS HA H 54 3.949 4.457 -0.508 1
1 613 . 14 1 1 A 54 54 LYS C C 54 179.566 178.734 0.832 1
1 614 . 14 1 1 A 54 54 LYS CA C 54 60.920 59.559 1.361 1
1 615 . 14 1 1 A 54 54 LYS CB C 54 32.481 32.188 0.293 1
1 619 . 14 1 1 A 54 54 LYS N N 54 118.859 118.714 0.145 1
1 620 . 14 1 1 A 55 55 GLN H H 55 7.965 8.696 -0.731 1
1 621 . 14 1 1 A 55 55 GLN HA H 55 4.025 4.102 -0.077 1
1 628 . 14 1 1 A 55 55 GLN C C 55 177.154 178.594 -1.440 1
1 629 . 14 1 1 A 55 55 GLN CA C 55 58.064 59.156 -1.092 1
1 630 . 14 1 1 A 55 55 GLN CB C 55 28.163 28.437 -0.274 1
1 632 . 14 1 1 A 55 55 GLN N N 55 117.922 119.708 -1.786 1
1 634 . 14 1 1 A 56 56 LYS H H 56 7.483 8.295 -0.812 1
1 635 . 14 1 1 A 56 56 LYS HA H 56 4.205 4.128 0.077 1
1 644 . 14 1 1 A 56 56 LYS C C 56 179.772 178.054 1.718 1
1 645 . 14 1 1 A 56 56 LYS CA C 56 59.671 58.749 0.922 1
1 646 . 14 1 1 A 56 56 LYS CB C 56 31.700 31.753 -0.053 1
1 650 . 14 1 1 A 56 56 LYS N N 56 118.491 118.609 -0.118 1
1 651 . 14 1 1 A 57 57 TYR H H 57 7.707 7.851 -0.144 1
1 652 . 14 1 1 A 57 57 TYR HA H 57 4.344 4.541 -0.197 1
1 659 . 14 1 1 A 57 57 TYR C C 57 177.966 178.524 -0.558 1
1 660 . 14 1 1 A 57 57 TYR CA C 57 62.784 60.981 1.803 1
1 661 . 14 1 1 A 57 57 TYR CB C 57 38.973 38.957 0.016 1
1 666 . 14 1 1 A 57 57 TYR N N 57 117.968 119.236 -1.268 1
1 667 . 14 1 1 A 58 58 THR H H 58 8.458 9.159 -0.701 1
1 668 . 14 1 1 A 58 58 THR HA H 58 4.074 4.106 -0.032 1
1 673 . 14 1 1 A 58 58 THR C C 58 177.203 176.098 1.105 1
1 674 . 14 1 1 A 58 58 THR CA C 58 67.168 67.228 -0.060 1
1 675 . 14 1 1 A 58 58 THR CB C 58 68.401 68.979 -0.578 1
1 677 . 14 1 1 A 58 58 THR N N 58 118.700 115.649 3.051 1
1 678 . 14 1 1 A 59 59 ASP H H 59 8.807 8.338 0.469 1
1 679 . 14 1 1 A 59 59 ASP HA H 59 4.514 4.376 0.138 1
1 682 . 14 1 1 A 59 59 ASP C C 59 179.154 178.296 0.858 1
1 683 . 14 1 1 A 59 59 ASP CA C 59 57.754 57.552 0.202 1
1 684 . 14 1 1 A 59 59 ASP CB C 59 39.801 41.180 -1.379 1
1 685 . 14 1 1 A 59 59 ASP N N 59 123.812 121.335 2.477 1
1 686 . 14 1 1 A 60 60 MET H H 60 8.085 7.940 0.145 1
1 687 . 14 1 1 A 60 60 MET HA H 60 4.161 4.068 0.093 1
1 695 . 14 1 1 A 60 60 MET C C 60 178.378 178.725 -0.347 1
1 696 . 14 1 1 A 60 60 MET CA C 60 58.980 58.861 0.119 1
1 697 . 14 1 1 A 60 60 MET CB C 60 34.227 32.250 1.977 1
1 700 . 14 1 1 A 60 60 MET N N 60 120.481 118.167 2.314 1
1 701 . 14 1 1 A 61 61 ALA H H 61 8.296 8.157 0.139 1
1 702 . 14 1 1 A 61 61 ALA HA H 61 4.114 4.371 -0.257 1
1 706 . 14 1 1 A 61 61 ALA C C 61 179.408 179.532 -0.124 1
1 707 . 14 1 1 A 61 61 ALA CA C 61 54.935 55.074 -0.139 1
1 708 . 14 1 1 A 61 61 ALA CB C 61 17.759 18.610 -0.851 1
1 709 . 14 1 1 A 61 61 ALA N N 61 121.147 121.562 -0.415 1
1 710 . 14 1 1 A 62 62 LYS H H 62 7.812 8.680 -0.868 1
1 711 . 14 1 1 A 62 62 LYS HA H 62 4.177 4.082 0.095 1
1 720 . 14 1 1 A 62 62 LYS C C 62 177.979 178.932 -0.953 1
1 721 . 14 1 1 A 62 62 LYS CA C 62 59.289 59.309 -0.020 1
1 722 . 14 1 1 A 62 62 LYS CB C 62 32.539 32.219 0.320 1
1 726 . 14 1 1 A 62 62 LYS N N 62 119.686 118.229 1.457 1
1 727 . 14 1 1 A 63 63 GLU H H 63 7.810 8.256 -0.446 1
1 728 . 14 1 1 A 63 63 GLU HA H 63 4.216 4.094 0.122 1
1 733 . 14 1 1 A 63 63 GLU C C 63 178.597 178.505 0.092 1
1 734 . 14 1 1 A 63 63 GLU CA C 63 58.386 58.855 -0.469 1
1 735 . 14 1 1 A 63 63 GLU CB C 63 29.644 29.848 -0.204 1
1 737 . 14 1 1 A 63 63 GLU N N 63 118.765 118.904 -0.139 1
1 738 . 14 1 1 A 64 64 TYR H H 64 8.098 8.221 -0.123 1
1 739 . 14 1 1 A 64 64 TYR HA H 64 4.395 4.323 0.072 1
1 746 . 14 1 1 A 64 64 TYR C C 64 177.639 178.321 -0.682 1
1 747 . 14 1 1 A 64 64 TYR CA C 64 60.006 61.483 -1.477 1
1 748 . 14 1 1 A 64 64 TYR CB C 64 38.198 37.865 0.333 1
1 753 . 14 1 1 A 64 64 TYR N N 64 119.914 119.881 0.033 1
1 754 . 14 1 1 A 65 65 LYS H H 65 8.225 9.592 -1.367 1
1 755 . 14 1 1 A 65 65 LYS HA H 65 4.146 4.005 0.141 1
1 764 . 14 1 1 A 65 65 LYS C C 65 177.481 178.148 -0.667 1
1 765 . 14 1 1 A 65 65 LYS CA C 65 58.793 59.919 -1.126 1
1 766 . 14 1 1 A 65 65 LYS CB C 65 32.523 32.047 0.476 1
1 770 . 14 1 1 A 65 65 LYS N N 65 122.842 121.575 1.267 1
1 771 . 14 1 1 A 66 66 ASP H H 66 8.402 7.965 0.437 1
1 772 . 14 1 1 A 66 66 ASP HA H 66 4.485 4.361 0.124 1
1 775 . 14 1 1 A 66 66 ASP C C 66 177.930 178.119 -0.189 1
1 776 . 14 1 1 A 66 66 ASP CA C 66 56.423 57.876 -1.453 1
1 777 . 14 1 1 A 66 66 ASP CB C 66 40.829 41.295 -0.466 1
1 778 . 14 1 1 A 66 66 ASP N N 66 120.424 119.389 1.035 1
1 779 . 14 1 1 A 67 67 ALA H H 67 7.989 8.136 -0.147 1
1 780 . 14 1 1 A 67 67 ALA HA H 67 4.151 4.084 0.067 1
1 784 . 14 1 1 A 67 67 ALA C C 67 179.457 179.610 -0.153 1
1 785 . 14 1 1 A 67 67 ALA CA C 67 54.274 55.066 -0.792 1
1 786 . 14 1 1 A 67 67 ALA CB C 67 18.499 18.775 -0.276 1
1 787 . 14 1 1 A 67 67 ALA N N 67 122.273 121.521 0.752 1
1 788 . 14 1 1 A 68 68 PHE H H 68 8.235 9.033 -0.798 1
1 789 . 14 1 1 A 68 68 PHE HA H 68 4.314 3.991 0.323 1
1 796 . 14 1 1 A 68 68 PHE C C 68 177.421 176.493 0.928 1
1 797 . 14 1 1 A 68 68 PHE CA C 68 60.193 62.099 -1.906 1
1 798 . 14 1 1 A 68 68 PHE CB C 68 39.390 39.221 0.169 1
1 803 . 14 1 1 A 68 68 PHE N N 68 119.632 119.432 0.200 1
1 804 . 14 1 1 A 69 69 MET H H 69 8.325 8.168 0.157 1
1 805 . 14 1 1 A 69 69 MET HA H 69 4.296 4.319 -0.023 1
1 813 . 14 1 1 A 69 69 MET C C 69 177.651 175.736 1.915 1
1 814 . 14 1 1 A 69 69 MET CA C 69 56.645 54.861 1.784 1
1 815 . 14 1 1 A 69 69 MET CB C 69 32.108 31.910 0.198 1
1 818 . 14 1 1 A 69 69 MET N N 69 119.223 115.679 3.544 1
1 819 . 14 1 1 A 70 70 LYS H H 70 7.864 8.603 -0.739 1
1 820 . 14 1 1 A 70 70 LYS HA H 70 4.092 4.448 -0.356 1
1 829 . 14 1 1 A 70 70 LYS C C 70 177.009 176.053 0.956 1
1 830 . 14 1 1 A 70 70 LYS CA C 70 57.769 57.549 0.220 1
1 831 . 14 1 1 A 70 70 LYS CB C 70 32.687 35.123 -2.436 1
1 835 . 14 1 1 A 70 70 LYS N N 70 120.004 127.129 -7.125 1
1 836 . 14 1 1 A 71 71 ALA H H 71 7.670 7.755 -0.085 1
1 837 . 14 1 1 A 71 71 ALA HA H 71 4.264 4.259 0.005 1
1 841 . 14 1 1 A 71 71 ALA C C 71 177.009 175.446 1.563 1
1 842 . 14 1 1 A 71 71 ALA CA C 71 52.603 51.593 1.010 1
1 843 . 14 1 1 A 71 71 ALA CB C 71 19.321 17.399 1.922 1
1 844 . 14 1 1 A 71 71 ALA N N 71 121.270 121.425 -0.155 1
1 845 . 14 1 1 A 72 72 ASN H H 72 7.846 7.596 0.250 1
1 846 . 14 1 1 A 72 72 ASN HA H 72 4.972 5.199 -0.227 1
1 851 . 14 1 1 A 72 72 ASN C C 72 172.453 174.348 -1.895 1
1 852 . 14 1 1 A 72 72 ASN CA C 72 51.185 49.218 1.967 1
1 853 . 14 1 1 A 72 72 ASN CB C 72 39.350 40.742 -1.392 1
1 854 . 14 1 1 A 72 72 ASN N N 72 117.432 118.413 -0.981 1
1 856 . 14 1 1 A 73 73 PRO HA H 73 4.465 4.348 0.117 1
1 863 . 14 1 1 A 73 73 PRO C C 73 177.857 178.067 -0.210 1
1 864 . 14 1 1 A 73 73 PRO CA C 73 63.972 65.186 -1.214 1
1 865 . 14 1 1 A 73 73 PRO CB C 73 31.884 32.170 -0.286 1
1 868 . 14 1 1 A 74 74 GLY H H 74 8.538 8.239 0.299 1
1 869 . 14 1 1 A 74 74 GLY HA2 H 74 3.881 4.100 -0.219 1
1 870 . 14 1 1 A 74 74 GLY HA3 H 74 3.957 4.111 -0.154 1
1 871 . 14 1 1 A 74 74 GLY C C 74 174.210 173.462 0.748 1
1 872 . 14 1 1 A 74 74 GLY CA C 74 45.216 44.334 0.882 1
1 873 . 14 1 1 A 74 74 GLY N N 74 108.444 106.956 1.488 1
1 874 . 14 1 1 A 75 75 TYR H H 75 7.878 8.805 -0.927 1
1 875 . 14 1 1 A 75 75 TYR HA H 75 4.449 4.258 0.191 1
1 882 . 14 1 1 A 75 75 TYR C C 75 175.640 174.411 1.229 1
1 883 . 14 1 1 A 75 75 TYR CA C 75 58.778 58.736 0.042 1
1 884 . 14 1 1 A 75 75 TYR CB C 75 38.856 36.956 1.900 1
1 889 . 14 1 1 A 75 75 TYR N N 75 120.970 120.471 0.499 1
1 890 . 14 1 1 A 76 76 ARG H H 76 8.039 8.269 -0.230 1
1 891 . 14 1 1 A 76 76 ARG HA H 76 4.346 4.744 -0.398 1
1 898 . 14 1 1 A 76 76 ARG C C 76 175.482 174.906 0.576 1
1 899 . 14 1 1 A 76 76 ARG CA C 76 55.510 54.746 0.764 1
1 900 . 14 1 1 A 76 76 ARG CB C 76 31.307 31.166 0.141 1
1 903 . 14 1 1 A 76 76 ARG N N 76 124.540 128.783 -4.243 1
1 904 . 14 1 1 A 77 77 SER HA H 77 4.430 4.008 0.422 1
1 907 . 14 1 1 A 77 77 SER CA C 77 58.319 59.954 -1.635 1
1 908 . 14 1 1 A 77 77 SER CB C 77 63.982 62.657 1.325 1
1 909 . 14 1 1 A 78 78 GLY HA2 H 78 4.154 4.040 0.114 1
1 910 . 14 1 1 A 78 78 GLY HA3 H 78 4.154 4.047 0.107 1
1 911 . 14 1 1 A 78 78 GLY CA C 78 44.731 44.794 -0.063 1
1 912 . 14 1 1 A 79 79 PRO HA H 79 4.495 4.511 -0.016 1
1 917 . 14 1 1 A 79 79 PRO CA C 79 63.366 62.394 0.972 1
1 918 . 14 1 1 A 79 79 PRO CB C 79 32.289 32.844 -0.555 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.967 3.950 0.017 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.967 3.953 0.014 1
1 3 . 15 1 1 A 7 7 GLY C C 7 173.907 173.160 0.747 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.273 46.213 -0.940 1
1 5 . 15 1 1 A 8 8 ALA H H 8 8.092 8.609 -0.517 1
1 6 . 15 1 1 A 8 8 ALA HA H 8 4.335 4.841 -0.506 1
1 10 . 15 1 1 A 8 8 ALA C C 8 177.772 177.083 0.689 1
1 11 . 15 1 1 A 8 8 ALA CA C 8 52.468 50.158 2.310 1
1 12 . 15 1 1 A 8 8 ALA CB C 8 19.404 22.235 -2.831 1
1 13 . 15 1 1 A 8 8 ALA N N 8 123.589 127.365 -3.776 1
1 14 . 15 1 1 A 9 9 ARG H H 9 8.298 8.438 -0.140 1
1 15 . 15 1 1 A 9 9 ARG HA H 9 4.348 4.535 -0.187 1
1 22 . 15 1 1 A 9 9 ARG C C 9 175.894 175.713 0.181 1
1 23 . 15 1 1 A 9 9 ARG CA C 9 55.999 56.067 -0.068 1
1 24 . 15 1 1 A 9 9 ARG CB C 9 30.813 29.708 1.105 1
1 27 . 15 1 1 A 9 9 ARG N N 9 120.366 118.644 1.722 1
1 28 . 15 1 1 A 10 10 ARG H H 10 8.212 7.939 0.273 1
1 29 . 15 1 1 A 10 10 ARG HA H 10 4.468 4.716 -0.248 1
1 36 . 15 1 1 A 10 10 ARG C C 10 173.810 174.967 -1.157 1
1 37 . 15 1 1 A 10 10 ARG CA C 10 53.783 53.689 0.094 1
1 38 . 15 1 1 A 10 10 ARG CB C 10 30.384 33.639 -3.255 1
1 41 . 15 1 1 A 10 10 ARG N N 10 122.690 124.513 -1.823 1
1 42 . 15 1 1 A 11 11 PRO HA H 11 4.322 4.080 0.242 1
1 49 . 15 1 1 A 11 11 PRO C C 11 176.427 176.306 0.121 1
1 50 . 15 1 1 A 11 11 PRO CA C 11 62.905 65.798 -2.893 1
1 51 . 15 1 1 A 11 11 PRO CB C 11 31.929 31.232 0.697 1
1 54 . 15 1 1 A 12 12 MET H H 12 8.237 7.633 0.604 1
1 55 . 15 1 1 A 12 12 MET HA H 12 4.441 4.919 -0.478 1
1 63 . 15 1 1 A 12 12 MET C C 12 175.094 174.052 1.042 1
1 64 . 15 1 1 A 12 12 MET CA C 12 55.400 53.038 2.362 1
1 65 . 15 1 1 A 12 12 MET CB C 12 33.327 35.691 -2.364 1
1 68 . 15 1 1 A 12 12 MET N N 12 120.543 113.454 7.089 1
1 69 . 15 1 1 A 13 13 ASN H H 13 7.399 8.658 -1.259 1
1 70 . 15 1 1 A 13 13 ASN HA H 13 4.650 5.003 -0.353 1
1 75 . 15 1 1 A 13 13 ASN C C 13 174.743 175.239 -0.496 1
1 76 . 15 1 1 A 13 13 ASN CA C 13 52.456 51.987 0.469 1
1 77 . 15 1 1 A 13 13 ASN CB C 13 39.513 39.887 -0.374 1
1 78 . 15 1 1 A 13 13 ASN N N 13 118.399 114.983 3.416 1
1 80 . 15 1 1 A 14 14 ALA H H 14 8.681 8.712 -0.031 1
1 81 . 15 1 1 A 14 14 ALA HA H 14 3.964 4.122 -0.158 1
1 85 . 15 1 1 A 14 14 ALA C C 14 177.736 179.300 -1.564 1
1 86 . 15 1 1 A 14 14 ALA CA C 14 56.221 55.105 1.116 1
1 87 . 15 1 1 A 14 14 ALA CB C 14 19.568 18.690 0.878 1
1 88 . 15 1 1 A 14 14 ALA N N 14 122.169 121.162 1.007 1
1 89 . 15 1 1 A 15 15 PHE H H 15 8.002 7.970 0.032 1
1 90 . 15 1 1 A 15 15 PHE HA H 15 2.866 2.182 0.684 1
1 98 . 15 1 1 A 15 15 PHE C C 15 177.821 176.281 1.540 1
1 99 . 15 1 1 A 15 15 PHE CA C 15 59.132 60.701 -1.569 1
1 100 . 15 1 1 A 15 15 PHE CB C 15 38.239 38.531 -0.292 1
1 106 . 15 1 1 A 15 15 PHE N N 15 116.867 118.703 -1.836 1
1 107 . 15 1 1 A 16 16 LEU H H 16 8.264 7.940 0.324 1
1 108 . 15 1 1 A 16 16 LEU HA H 16 3.642 3.439 0.203 1
1 118 . 15 1 1 A 16 16 LEU C C 16 180.354 179.386 0.968 1
1 119 . 15 1 1 A 16 16 LEU CA C 16 58.236 57.095 1.141 1
1 120 . 15 1 1 A 16 16 LEU CB C 16 41.365 41.495 -0.130 1
1 124 . 15 1 1 A 16 16 LEU N N 16 120.647 119.546 1.101 1
1 125 . 15 1 1 A 17 17 LEU H H 17 7.977 8.357 -0.380 1
1 126 . 15 1 1 A 17 17 LEU HA H 17 4.065 3.844 0.221 1
1 136 . 15 1 1 A 17 17 LEU C C 17 178.984 178.927 0.057 1
1 137 . 15 1 1 A 17 17 LEU CA C 17 58.165 57.718 0.447 1
1 138 . 15 1 1 A 17 17 LEU CB C 17 41.693 41.970 -0.277 1
1 142 . 15 1 1 A 17 17 LEU N N 17 121.855 119.050 2.805 1
1 143 . 15 1 1 A 18 18 PHE H H 18 8.136 7.747 0.389 1
1 144 . 15 1 1 A 18 18 PHE HA H 18 3.769 4.019 -0.250 1
1 150 . 15 1 1 A 18 18 PHE C C 18 179.020 177.787 1.233 1
1 151 . 15 1 1 A 18 18 PHE CA C 18 62.333 61.149 1.184 1
1 152 . 15 1 1 A 18 18 PHE CB C 18 39.122 38.854 0.268 1
1 156 . 15 1 1 A 18 18 PHE N N 18 122.907 117.857 5.050 1
1 157 . 15 1 1 A 19 19 CYS H H 19 8.520 7.657 0.863 1
1 158 . 15 1 1 A 19 19 CYS HA H 19 3.728 3.983 -0.255 1
1 161 . 15 1 1 A 19 19 CYS C C 19 176.136 176.811 -0.675 1
1 162 . 15 1 1 A 19 19 CYS CA C 19 64.313 63.426 0.887 1
1 163 . 15 1 1 A 19 19 CYS CB C 19 26.577 27.095 -0.518 1
1 164 . 15 1 1 A 19 19 CYS N N 19 119.069 116.845 2.224 1
1 165 . 15 1 1 A 20 20 LYS H H 20 7.969 7.733 0.236 1
1 166 . 15 1 1 A 20 20 LYS HA H 20 3.953 4.064 -0.111 1
1 175 . 15 1 1 A 20 20 LYS C C 20 179.133 177.619 1.514 1
1 176 . 15 1 1 A 20 20 LYS CA C 20 59.295 58.321 0.974 1
1 177 . 15 1 1 A 20 20 LYS CB C 20 32.111 32.434 -0.323 1
1 181 . 15 1 1 A 20 20 LYS N N 20 119.888 120.317 -0.429 1
1 182 . 15 1 1 A 21 21 ARG H H 21 7.493 7.886 -0.393 1
1 183 . 15 1 1 A 21 21 ARG HA H 21 4.166 4.378 -0.212 1
1 190 . 15 1 1 A 21 21 ARG C C 21 177.239 177.956 -0.717 1
1 191 . 15 1 1 A 21 21 ARG CA C 21 57.575 57.997 -0.422 1
1 192 . 15 1 1 A 21 21 ARG CB C 21 30.137 31.387 -1.250 1
1 195 . 15 1 1 A 21 21 ARG N N 21 116.105 118.566 -2.461 1
1 196 . 15 1 1 A 22 22 HIS H H 22 7.354 8.373 -1.019 1
1 197 . 15 1 1 A 22 22 HIS HA H 22 4.706 4.358 0.348 1
1 201 . 15 1 1 A 22 22 HIS C C 22 175.627 176.727 -1.100 1
1 202 . 15 1 1 A 22 22 HIS CA C 22 58.593 59.649 -1.056 1
1 203 . 15 1 1 A 22 22 HIS CB C 22 30.754 28.388 2.366 1
1 205 . 15 1 1 A 22 22 HIS N N 22 113.808 117.813 -4.005 1
1 206 . 15 1 1 A 23 23 ARG H H 23 8.372 8.391 -0.019 1
1 207 . 15 1 1 A 23 23 ARG HA H 23 3.793 3.762 0.031 1
1 214 . 15 1 1 A 23 23 ARG C C 23 177.930 178.231 -0.301 1
1 215 . 15 1 1 A 23 23 ARG CA C 23 60.747 59.512 1.235 1
1 216 . 15 1 1 A 23 23 ARG CB C 23 29.251 30.368 -1.117 1
1 219 . 15 1 1 A 23 23 ARG N N 23 123.560 120.359 3.201 1
1 220 . 15 1 1 A 24 24 SER HA H 24 4.163 4.139 0.024 1
1 223 . 15 1 1 A 24 24 SER CA C 24 61.523 61.567 -0.044 1
1 224 . 15 1 1 A 24 24 SER CB C 24 62.116 63.059 -0.943 1
1 225 . 15 1 1 A 25 25 LEU H H 25 7.504 8.102 -0.598 1
1 226 . 15 1 1 A 25 25 LEU HA H 25 4.265 4.056 0.209 1
1 236 . 15 1 1 A 25 25 LEU C C 25 179.336 178.904 0.432 1
1 237 . 15 1 1 A 25 25 LEU CA C 25 57.837 58.093 -0.256 1
1 238 . 15 1 1 A 25 25 LEU CB C 25 41.470 42.062 -0.592 1
1 242 . 15 1 1 A 25 25 LEU N N 25 124.174 121.967 2.207 1
1 243 . 15 1 1 A 26 26 VAL H H 26 7.802 8.479 -0.677 1
1 244 . 15 1 1 A 26 26 VAL HA H 26 3.833 3.348 0.485 1
1 252 . 15 1 1 A 26 26 VAL C C 26 177.712 177.937 -0.225 1
1 253 . 15 1 1 A 26 26 VAL CA C 26 66.662 66.712 -0.050 1
1 254 . 15 1 1 A 26 26 VAL CB C 26 31.670 31.219 0.451 1
1 257 . 15 1 1 A 26 26 VAL N N 26 119.266 119.005 0.261 1
1 258 . 15 1 1 A 27 27 ARG H H 27 7.922 8.212 -0.290 1
1 259 . 15 1 1 A 27 27 ARG HA H 27 4.043 4.012 0.031 1
1 266 . 15 1 1 A 27 27 ARG C C 27 177.785 178.985 -1.200 1
1 267 . 15 1 1 A 27 27 ARG CA C 27 58.683 59.864 -1.181 1
1 268 . 15 1 1 A 27 27 ARG CB C 27 29.720 29.891 -0.171 1
1 271 . 15 1 1 A 27 27 ARG N N 27 118.035 118.966 -0.931 1
1 272 . 15 1 1 A 28 28 GLN H H 28 7.707 7.954 -0.247 1
1 273 . 15 1 1 A 28 28 GLN HA H 28 4.092 4.171 -0.079 1
1 280 . 15 1 1 A 28 28 GLN C C 28 177.785 178.294 -0.509 1
1 281 . 15 1 1 A 28 28 GLN CA C 28 58.233 58.637 -0.404 1
1 282 . 15 1 1 A 28 28 GLN CB C 28 29.191 28.997 0.194 1
1 284 . 15 1 1 A 28 28 GLN N N 28 116.893 118.747 -1.854 1
1 286 . 15 1 1 A 29 29 GLU H H 29 7.864 8.317 -0.453 1
1 287 . 15 1 1 A 29 29 GLU HA H 29 4.131 4.044 0.087 1
1 292 . 15 1 1 A 29 29 GLU C C 29 176.246 176.179 0.067 1
1 293 . 15 1 1 A 29 29 GLU CA C 29 57.808 58.697 -0.889 1
1 294 . 15 1 1 A 29 29 GLU CB C 29 31.004 29.625 1.379 1
1 296 . 15 1 1 A 29 29 GLU N N 29 116.949 119.629 -2.680 1
1 297 . 15 1 1 A 30 30 HIS H H 30 8.058 8.663 -0.605 1
1 298 . 15 1 1 A 30 30 HIS HA H 30 5.071 5.093 -0.022 1
1 303 . 15 1 1 A 30 30 HIS C C 30 173.519 173.993 -0.474 1
1 304 . 15 1 1 A 30 30 HIS CA C 30 53.347 53.244 0.103 1
1 305 . 15 1 1 A 30 30 HIS CB C 30 30.649 29.776 0.873 1
1 308 . 15 1 1 A 30 30 HIS N N 30 116.711 116.763 -0.052 1
1 309 . 15 1 1 A 31 31 PRO HA H 31 4.648 4.493 0.155 1
1 316 . 15 1 1 A 31 31 PRO C C 31 178.197 178.835 -0.638 1
1 317 . 15 1 1 A 31 31 PRO CA C 31 64.911 65.267 -0.356 1
1 318 . 15 1 1 A 31 31 PRO CB C 31 32.458 31.951 0.507 1
1 321 . 15 1 1 A 32 32 ARG H H 32 8.617 8.585 0.032 1
1 322 . 15 1 1 A 32 32 ARG HA H 32 4.406 4.079 0.327 1
1 329 . 15 1 1 A 32 32 ARG C C 32 176.815 177.707 -0.892 1
1 330 . 15 1 1 A 32 32 ARG CA C 32 55.959 58.961 -3.002 1
1 331 . 15 1 1 A 32 32 ARG CB C 32 29.808 29.690 0.118 1
1 334 . 15 1 1 A 32 32 ARG N N 32 116.125 118.790 -2.665 1
1 335 . 15 1 1 A 33 33 LEU H H 33 7.421 7.582 -0.161 1
1 336 . 15 1 1 A 33 33 LEU HA H 33 4.409 4.208 0.201 1
1 346 . 15 1 1 A 33 33 LEU C C 33 177.349 176.267 1.082 1
1 347 . 15 1 1 A 33 33 LEU CA C 33 55.140 55.062 0.078 1
1 348 . 15 1 1 A 33 33 LEU CB C 33 43.420 42.311 1.109 1
1 352 . 15 1 1 A 33 33 LEU N N 33 120.576 120.630 -0.054 1
1 353 . 15 1 1 A 34 34 ASP H H 34 8.168 9.029 -0.861 1
1 354 . 15 1 1 A 34 34 ASP HA H 34 4.646 4.695 -0.049 1
1 357 . 15 1 1 A 34 34 ASP C C 34 175.821 177.025 -1.204 1
1 358 . 15 1 1 A 34 34 ASP CA C 34 52.415 56.239 -3.824 1
1 359 . 15 1 1 A 34 34 ASP CB C 34 41.177 41.174 0.003 1
1 360 . 15 1 1 A 34 34 ASP N N 34 122.502 122.024 0.478 1
1 361 . 15 1 1 A 35 35 ASN HA H 35 4.395 4.969 -0.574 1
1 366 . 15 1 1 A 35 35 ASN CA C 35 57.033 54.392 2.641 1
1 367 . 15 1 1 A 35 35 ASN CB C 35 38.344 39.981 -1.637 1
1 369 . 15 1 1 A 36 36 ARG HA H 36 4.096 3.902 0.194 1
1 376 . 15 1 1 A 36 36 ARG C C 36 179.554 178.889 0.665 1
1 377 . 15 1 1 A 36 36 ARG CA C 36 59.527 59.868 -0.341 1
1 378 . 15 1 1 A 36 36 ARG CB C 36 29.626 29.968 -0.342 1
1 381 . 15 1 1 A 37 37 GLY H H 37 8.618 8.224 0.394 1
1 382 . 15 1 1 A 37 37 GLY HA2 H 37 3.888 3.746 0.142 1
1 383 . 15 1 1 A 37 37 GLY HA3 H 37 3.754 3.749 0.005 1
1 384 . 15 1 1 A 37 37 GLY C C 37 176.597 175.954 0.643 1
1 385 . 15 1 1 A 37 37 GLY CA C 37 47.048 47.342 -0.294 1
1 386 . 15 1 1 A 37 37 GLY N N 37 110.017 106.836 3.181 1
1 387 . 15 1 1 A 38 38 ALA H H 38 8.619 8.003 0.616 1
1 388 . 15 1 1 A 38 38 ALA HA H 38 3.945 3.878 0.067 1
1 392 . 15 1 1 A 38 38 ALA C C 38 178.924 179.432 -0.508 1
1 393 . 15 1 1 A 38 38 ALA CA C 38 55.123 54.616 0.507 1
1 394 . 15 1 1 A 38 38 ALA CB C 38 18.046 18.091 -0.045 1
1 395 . 15 1 1 A 38 38 ALA N N 38 124.889 124.279 0.610 1
1 396 . 15 1 1 A 39 39 THR H H 39 8.239 8.092 0.147 1
1 397 . 15 1 1 A 39 39 THR HA H 39 3.895 3.889 0.006 1
1 402 . 15 1 1 A 39 39 THR C C 39 175.252 176.431 -1.179 1
1 403 . 15 1 1 A 39 39 THR CA C 39 66.889 66.928 -0.039 1
1 404 . 15 1 1 A 39 39 THR CB C 39 68.607 68.429 0.178 1
1 406 . 15 1 1 A 39 39 THR N N 39 114.810 115.207 -0.397 1
1 407 . 15 1 1 A 40 40 LYS H H 40 7.518 8.046 -0.528 1
1 408 . 15 1 1 A 40 40 LYS HA H 40 4.098 3.996 0.102 1
1 417 . 15 1 1 A 40 40 LYS C C 40 178.330 178.864 -0.534 1
1 418 . 15 1 1 A 40 40 LYS CA C 40 59.746 59.150 0.596 1
1 419 . 15 1 1 A 40 40 LYS CB C 40 32.106 32.124 -0.018 1
1 423 . 15 1 1 A 40 40 LYS N N 40 122.046 121.064 0.982 1
1 424 . 15 1 1 A 41 41 ILE H H 41 7.218 7.411 -0.193 1
1 425 . 15 1 1 A 41 41 ILE HA H 41 3.722 3.672 0.050 1
1 435 . 15 1 1 A 41 41 ILE C C 41 178.197 177.570 0.627 1
1 436 . 15 1 1 A 41 41 ILE CA C 41 64.055 64.750 -0.695 1
1 437 . 15 1 1 A 41 41 ILE CB C 41 36.482 37.565 -1.083 1
1 441 . 15 1 1 A 41 41 ILE N N 41 119.019 120.338 -1.319 1
1 442 . 15 1 1 A 42 42 LEU H H 42 7.940 8.026 -0.086 1
1 443 . 15 1 1 A 42 42 LEU HA H 42 3.988 3.807 0.181 1
1 453 . 15 1 1 A 42 42 LEU C C 42 179.251 179.116 0.135 1
1 454 . 15 1 1 A 42 42 LEU CA C 42 58.605 58.063 0.542 1
1 455 . 15 1 1 A 42 42 LEU CB C 42 41.694 41.459 0.235 1
1 459 . 15 1 1 A 42 42 LEU N N 42 119.163 119.250 -0.087 1
1 460 . 15 1 1 A 43 43 ALA H H 43 8.732 8.458 0.274 1
1 461 . 15 1 1 A 43 43 ALA HA H 43 4.222 4.364 -0.142 1
1 465 . 15 1 1 A 43 43 ALA C C 43 180.899 179.314 1.585 1
1 466 . 15 1 1 A 43 43 ALA CA C 43 55.699 55.724 -0.025 1
1 467 . 15 1 1 A 43 43 ALA CB C 43 17.859 18.695 -0.836 1
1 468 . 15 1 1 A 43 43 ALA N N 43 122.225 121.744 0.481 1
1 469 . 15 1 1 A 44 44 ASP H H 44 8.350 8.595 -0.245 1
1 470 . 15 1 1 A 44 44 ASP HA H 44 4.545 4.417 0.128 1
1 473 . 15 1 1 A 44 44 ASP C C 44 179.227 178.993 0.234 1
1 474 . 15 1 1 A 44 44 ASP CA C 44 57.507 57.536 -0.029 1
1 475 . 15 1 1 A 44 44 ASP CB C 44 39.719 41.332 -1.613 1
1 476 . 15 1 1 A 44 44 ASP N N 44 122.950 118.635 4.315 1
1 477 . 15 1 1 A 45 45 TRP H H 45 8.831 8.570 0.261 1
1 478 . 15 1 1 A 45 45 TRP HA H 45 4.692 4.460 0.232 1
1 487 . 15 1 1 A 45 45 TRP C C 45 179.057 179.034 0.023 1
1 488 . 15 1 1 A 45 45 TRP CA C 45 58.008 60.076 -2.068 1
1 489 . 15 1 1 A 45 45 TRP CB C 45 29.520 29.481 0.039 1
1 495 . 15 1 1 A 45 45 TRP N N 45 122.321 120.329 1.992 1
1 497 . 15 1 1 A 46 46 TRP H H 46 8.921 8.560 0.361 1
1 498 . 15 1 1 A 46 46 TRP HA H 46 3.733 3.499 0.234 1
1 507 . 15 1 1 A 46 46 TRP C C 46 177.664 177.769 -0.105 1
1 508 . 15 1 1 A 46 46 TRP CA C 46 59.279 60.736 -1.457 1
1 509 . 15 1 1 A 46 46 TRP CB C 46 30.508 29.500 1.008 1
1 515 . 15 1 1 A 46 46 TRP N N 46 120.243 121.608 -1.365 1
1 517 . 15 1 1 A 47 47 ALA H H 47 7.918 9.174 -1.256 1
1 518 . 15 1 1 A 47 47 ALA HA H 47 3.918 4.064 -0.146 1
1 522 . 15 1 1 A 47 47 ALA C C 47 179.978 178.131 1.847 1
1 523 . 15 1 1 A 47 47 ALA CA C 47 55.011 55.042 -0.031 1
1 524 . 15 1 1 A 47 47 ALA CB C 47 18.581 18.561 0.020 1
1 525 . 15 1 1 A 47 47 ALA N N 47 117.935 120.902 -2.967 1
1 526 . 15 1 1 A 48 48 VAL H H 48 7.106 7.309 -0.203 1
1 527 . 15 1 1 A 48 48 VAL HA H 48 4.378 4.400 -0.022 1
1 535 . 15 1 1 A 48 48 VAL C C 48 175.627 174.535 1.092 1
1 536 . 15 1 1 A 48 48 VAL CA C 48 60.641 60.346 0.295 1
1 537 . 15 1 1 A 48 48 VAL CB C 48 31.865 31.556 0.309 1
1 540 . 15 1 1 A 48 48 VAL N N 48 107.757 108.351 -0.594 1
1 541 . 15 1 1 A 49 49 LEU H H 49 7.008 7.541 -0.533 1
1 542 . 15 1 1 A 49 49 LEU HA H 49 3.948 5.076 -1.128 1
1 552 . 15 1 1 A 49 49 LEU C C 49 176.258 174.251 2.007 1
1 553 . 15 1 1 A 49 49 LEU CA C 49 55.032 53.166 1.866 1
1 554 . 15 1 1 A 49 49 LEU CB C 49 42.822 45.749 -2.927 1
1 558 . 15 1 1 A 49 49 LEU N N 49 125.594 124.486 1.108 1
1 559 . 15 1 1 A 50 50 ASP H H 50 8.485 8.718 -0.233 1
1 560 . 15 1 1 A 50 50 ASP HA H 50 4.643 4.790 -0.147 1
1 563 . 15 1 1 A 50 50 ASP CA C 50 52.855 52.359 0.496 1
1 564 . 15 1 1 A 50 50 ASP CB C 50 42.605 41.308 1.297 1
1 565 . 15 1 1 A 51 51 PRO HA H 51 4.025 4.206 -0.181 1
1 572 . 15 1 1 A 51 51 PRO C C 51 179.166 178.863 0.303 1
1 573 . 15 1 1 A 51 51 PRO CA C 51 65.861 65.572 0.289 1
1 574 . 15 1 1 A 51 51 PRO CB C 51 32.458 31.561 0.897 1
1 577 . 15 1 1 A 52 52 LYS H H 52 8.866 8.253 0.613 1
1 578 . 15 1 1 A 52 52 LYS HA H 52 4.165 4.006 0.159 1
1 585 . 15 1 1 A 52 52 LYS C C 52 179.542 179.077 0.465 1
1 586 . 15 1 1 A 52 52 LYS CA C 52 59.484 59.525 -0.041 1
1 587 . 15 1 1 A 52 52 LYS CB C 52 31.906 32.381 -0.475 1
1 591 . 15 1 1 A 52 52 LYS N N 52 118.625 118.205 0.420 1
1 592 . 15 1 1 A 53 53 GLU H H 53 7.727 8.225 -0.498 1
1 593 . 15 1 1 A 53 53 GLU HA H 53 4.343 4.017 0.326 1
1 598 . 15 1 1 A 53 53 GLU C C 53 179.335 179.762 -0.427 1
1 599 . 15 1 1 A 53 53 GLU CA C 53 58.355 59.305 -0.950 1
1 600 . 15 1 1 A 53 53 GLU CB C 53 29.726 29.315 0.411 1
1 602 . 15 1 1 A 53 53 GLU N N 53 120.460 119.675 0.785 1
1 603 . 15 1 1 A 54 54 LYS H H 54 8.194 7.521 0.673 1
1 604 . 15 1 1 A 54 54 LYS HA H 54 3.949 4.444 -0.495 1
1 613 . 15 1 1 A 54 54 LYS C C 54 179.566 179.081 0.485 1
1 614 . 15 1 1 A 54 54 LYS CA C 54 60.920 59.751 1.169 1
1 615 . 15 1 1 A 54 54 LYS CB C 54 32.481 32.042 0.439 1
1 619 . 15 1 1 A 54 54 LYS N N 54 118.859 118.864 -0.005 1
1 620 . 15 1 1 A 55 55 GLN H H 55 7.965 9.024 -1.059 1
1 621 . 15 1 1 A 55 55 GLN HA H 55 4.025 4.081 -0.056 1
1 628 . 15 1 1 A 55 55 GLN C C 55 177.154 178.015 -0.861 1
1 629 . 15 1 1 A 55 55 GLN CA C 55 58.064 58.916 -0.852 1
1 630 . 15 1 1 A 55 55 GLN CB C 55 28.163 29.081 -0.918 1
1 632 . 15 1 1 A 55 55 GLN N N 55 117.922 119.718 -1.796 1
1 634 . 15 1 1 A 56 56 LYS H H 56 7.483 8.048 -0.565 1
1 635 . 15 1 1 A 56 56 LYS HA H 56 4.205 4.104 0.101 1
1 644 . 15 1 1 A 56 56 LYS C C 56 179.772 178.240 1.532 1
1 645 . 15 1 1 A 56 56 LYS CA C 56 59.671 59.079 0.592 1
1 646 . 15 1 1 A 56 56 LYS CB C 56 31.700 31.959 -0.259 1
1 650 . 15 1 1 A 56 56 LYS N N 56 118.491 118.691 -0.200 1
1 651 . 15 1 1 A 57 57 TYR H H 57 7.707 8.100 -0.393 1
1 652 . 15 1 1 A 57 57 TYR HA H 57 4.344 4.483 -0.139 1
1 659 . 15 1 1 A 57 57 TYR C C 57 177.966 179.077 -1.111 1
1 660 . 15 1 1 A 57 57 TYR CA C 57 62.784 60.226 2.558 1
1 661 . 15 1 1 A 57 57 TYR CB C 57 38.973 37.882 1.091 1
1 666 . 15 1 1 A 57 57 TYR N N 57 117.968 119.443 -1.475 1
1 667 . 15 1 1 A 58 58 THR H H 58 8.458 9.229 -0.771 1
1 668 . 15 1 1 A 58 58 THR HA H 58 4.074 4.235 -0.161 1
1 673 . 15 1 1 A 58 58 THR C C 58 177.203 175.905 1.298 1
1 674 . 15 1 1 A 58 58 THR CA C 58 67.168 65.954 1.214 1
1 675 . 15 1 1 A 58 58 THR CB C 58 68.401 68.562 -0.161 1
1 677 . 15 1 1 A 58 58 THR N N 58 118.700 115.295 3.405 1
1 678 . 15 1 1 A 59 59 ASP H H 59 8.807 8.197 0.610 1
1 679 . 15 1 1 A 59 59 ASP HA H 59 4.514 4.518 -0.004 1
1 682 . 15 1 1 A 59 59 ASP C C 59 179.154 178.514 0.640 1
1 683 . 15 1 1 A 59 59 ASP CA C 59 57.754 56.927 0.827 1
1 684 . 15 1 1 A 59 59 ASP CB C 59 39.801 41.195 -1.394 1
1 685 . 15 1 1 A 59 59 ASP N N 59 123.812 120.920 2.892 1
1 686 . 15 1 1 A 60 60 MET H H 60 8.085 8.700 -0.615 1
1 687 . 15 1 1 A 60 60 MET HA H 60 4.161 4.302 -0.141 1
1 695 . 15 1 1 A 60 60 MET C C 60 178.378 178.419 -0.041 1
1 696 . 15 1 1 A 60 60 MET CA C 60 58.980 59.571 -0.591 1
1 697 . 15 1 1 A 60 60 MET CB C 60 34.227 32.768 1.459 1
1 700 . 15 1 1 A 60 60 MET N N 60 120.481 118.245 2.236 1
1 701 . 15 1 1 A 61 61 ALA H H 61 8.296 8.478 -0.182 1
1 702 . 15 1 1 A 61 61 ALA HA H 61 4.114 4.013 0.101 1
1 706 . 15 1 1 A 61 61 ALA C C 61 179.408 179.131 0.277 1
1 707 . 15 1 1 A 61 61 ALA CA C 61 54.935 55.514 -0.579 1
1 708 . 15 1 1 A 61 61 ALA CB C 61 17.759 18.486 -0.727 1
1 709 . 15 1 1 A 61 61 ALA N N 61 121.147 121.472 -0.325 1
1 710 . 15 1 1 A 62 62 LYS H H 62 7.812 8.217 -0.405 1
1 711 . 15 1 1 A 62 62 LYS HA H 62 4.177 3.990 0.187 1
1 720 . 15 1 1 A 62 62 LYS C C 62 177.979 178.728 -0.749 1
1 721 . 15 1 1 A 62 62 LYS CA C 62 59.289 59.901 -0.612 1
1 722 . 15 1 1 A 62 62 LYS CB C 62 32.539 32.525 0.014 1
1 726 . 15 1 1 A 62 62 LYS N N 62 119.686 118.228 1.458 1
1 727 . 15 1 1 A 63 63 GLU H H 63 7.810 7.745 0.065 1
1 728 . 15 1 1 A 63 63 GLU HA H 63 4.216 4.105 0.111 1
1 733 . 15 1 1 A 63 63 GLU C C 63 178.597 178.898 -0.301 1
1 734 . 15 1 1 A 63 63 GLU CA C 63 58.386 58.915 -0.529 1
1 735 . 15 1 1 A 63 63 GLU CB C 63 29.644 29.813 -0.169 1
1 737 . 15 1 1 A 63 63 GLU N N 63 118.765 119.120 -0.355 1
1 738 . 15 1 1 A 64 64 TYR H H 64 8.098 9.640 -1.542 1
1 739 . 15 1 1 A 64 64 TYR HA H 64 4.395 4.402 -0.007 1
1 746 . 15 1 1 A 64 64 TYR C C 64 177.639 178.260 -0.621 1
1 747 . 15 1 1 A 64 64 TYR CA C 64 60.006 61.779 -1.773 1
1 748 . 15 1 1 A 64 64 TYR CB C 64 38.198 38.196 0.002 1
1 753 . 15 1 1 A 64 64 TYR N N 64 119.914 120.932 -1.018 1
1 754 . 15 1 1 A 65 65 LYS H H 65 8.225 8.608 -0.383 1
1 755 . 15 1 1 A 65 65 LYS HA H 65 4.146 4.019 0.127 1
1 764 . 15 1 1 A 65 65 LYS C C 65 177.481 178.118 -0.637 1
1 765 . 15 1 1 A 65 65 LYS CA C 65 58.793 60.178 -1.385 1
1 766 . 15 1 1 A 65 65 LYS CB C 65 32.523 31.984 0.539 1
1 770 . 15 1 1 A 65 65 LYS N N 65 122.842 121.965 0.877 1
1 771 . 15 1 1 A 66 66 ASP H H 66 8.402 7.906 0.496 1
1 772 . 15 1 1 A 66 66 ASP HA H 66 4.485 4.328 0.157 1
1 775 . 15 1 1 A 66 66 ASP C C 66 177.930 178.415 -0.485 1
1 776 . 15 1 1 A 66 66 ASP CA C 66 56.423 57.783 -1.360 1
1 777 . 15 1 1 A 66 66 ASP CB C 66 40.829 41.519 -0.690 1
1 778 . 15 1 1 A 66 66 ASP N N 66 120.424 119.661 0.763 1
1 779 . 15 1 1 A 67 67 ALA H H 67 7.989 7.510 0.479 1
1 780 . 15 1 1 A 67 67 ALA HA H 67 4.151 4.085 0.066 1
1 784 . 15 1 1 A 67 67 ALA C C 67 179.457 179.620 -0.163 1
1 785 . 15 1 1 A 67 67 ALA CA C 67 54.274 55.005 -0.731 1
1 786 . 15 1 1 A 67 67 ALA CB C 67 18.499 18.573 -0.074 1
1 787 . 15 1 1 A 67 67 ALA N N 67 122.273 121.448 0.825 1
1 788 . 15 1 1 A 68 68 PHE H H 68 8.235 8.313 -0.078 1
1 789 . 15 1 1 A 68 68 PHE HA H 68 4.314 3.984 0.330 1
1 796 . 15 1 1 A 68 68 PHE C C 68 177.421 176.715 0.706 1
1 797 . 15 1 1 A 68 68 PHE CA C 68 60.193 62.088 -1.895 1
1 798 . 15 1 1 A 68 68 PHE CB C 68 39.390 39.385 0.005 1
1 803 . 15 1 1 A 68 68 PHE N N 68 119.632 119.264 0.368 1
1 804 . 15 1 1 A 69 69 MET H H 69 8.325 8.208 0.117 1
1 805 . 15 1 1 A 69 69 MET HA H 69 4.296 3.961 0.335 1
1 813 . 15 1 1 A 69 69 MET C C 69 177.651 175.655 1.996 1
1 814 . 15 1 1 A 69 69 MET CA C 69 56.645 55.046 1.599 1
1 815 . 15 1 1 A 69 69 MET CB C 69 32.108 32.275 -0.167 1
1 818 . 15 1 1 A 69 69 MET N N 69 119.223 116.431 2.792 1
1 819 . 15 1 1 A 70 70 LYS H H 70 7.864 8.298 -0.434 1
1 820 . 15 1 1 A 70 70 LYS HA H 70 4.092 4.405 -0.313 1
1 829 . 15 1 1 A 70 70 LYS C C 70 177.009 177.090 -0.081 1
1 830 . 15 1 1 A 70 70 LYS CA C 70 57.769 57.403 0.366 1
1 831 . 15 1 1 A 70 70 LYS CB C 70 32.687 33.534 -0.847 1
1 835 . 15 1 1 A 70 70 LYS N N 70 120.004 126.300 -6.296 1
1 836 . 15 1 1 A 71 71 ALA H H 71 7.670 7.654 0.016 1
1 837 . 15 1 1 A 71 71 ALA HA H 71 4.264 4.486 -0.222 1
1 841 . 15 1 1 A 71 71 ALA C C 71 177.009 177.332 -0.323 1
1 842 . 15 1 1 A 71 71 ALA CA C 71 52.603 52.890 -0.287 1
1 843 . 15 1 1 A 71 71 ALA CB C 71 19.321 20.214 -0.893 1
1 844 . 15 1 1 A 71 71 ALA N N 71 121.270 118.857 2.413 1
1 845 . 15 1 1 A 72 72 ASN H H 72 7.846 8.041 -0.195 1
1 846 . 15 1 1 A 72 72 ASN HA H 72 4.972 4.409 0.563 1
1 851 . 15 1 1 A 72 72 ASN C C 72 172.453 175.830 -3.377 1
1 852 . 15 1 1 A 72 72 ASN CA C 72 51.185 53.682 -2.497 1
1 853 . 15 1 1 A 72 72 ASN CB C 72 39.350 37.197 2.153 1
1 854 . 15 1 1 A 72 72 ASN N N 72 117.432 112.659 4.773 1
1 856 . 15 1 1 A 73 73 PRO HA H 73 4.465 4.486 -0.021 1
1 863 . 15 1 1 A 73 73 PRO C C 73 177.857 177.466 0.391 1
1 864 . 15 1 1 A 73 73 PRO CA C 73 63.972 64.732 -0.760 1
1 865 . 15 1 1 A 73 73 PRO CB C 73 31.884 31.984 -0.100 1
1 868 . 15 1 1 A 74 74 GLY H H 74 8.538 8.354 0.184 1
1 869 . 15 1 1 A 74 74 GLY HA2 H 74 3.881 3.979 -0.098 1
1 870 . 15 1 1 A 74 74 GLY HA3 H 74 3.957 3.983 -0.026 1
1 871 . 15 1 1 A 74 74 GLY C C 74 174.210 173.815 0.395 1
1 872 . 15 1 1 A 74 74 GLY CA C 74 45.216 46.695 -1.479 1
1 873 . 15 1 1 A 74 74 GLY N N 74 108.444 106.940 1.504 1
1 874 . 15 1 1 A 75 75 TYR H H 75 7.878 8.081 -0.203 1
1 875 . 15 1 1 A 75 75 TYR HA H 75 4.449 4.805 -0.356 1
1 882 . 15 1 1 A 75 75 TYR C C 75 175.640 175.792 -0.152 1
1 883 . 15 1 1 A 75 75 TYR CA C 75 58.778 58.871 -0.093 1
1 884 . 15 1 1 A 75 75 TYR CB C 75 38.856 39.548 -0.692 1
1 889 . 15 1 1 A 75 75 TYR N N 75 120.970 121.064 -0.094 1
1 890 . 15 1 1 A 76 76 ARG H H 76 8.039 8.163 -0.124 1
1 891 . 15 1 1 A 76 76 ARG HA H 76 4.346 3.709 0.637 1
1 898 . 15 1 1 A 76 76 ARG C C 76 175.482 175.134 0.348 1
1 899 . 15 1 1 A 76 76 ARG CA C 76 55.510 58.163 -2.653 1
1 900 . 15 1 1 A 76 76 ARG CB C 76 31.307 29.218 2.089 1
1 903 . 15 1 1 A 76 76 ARG N N 76 124.540 120.024 4.516 1
1 904 . 15 1 1 A 77 77 SER HA H 77 4.430 4.229 0.201 1
1 907 . 15 1 1 A 77 77 SER CA C 77 58.319 59.410 -1.091 1
1 908 . 15 1 1 A 77 77 SER CB C 77 63.982 62.580 1.402 1
1 909 . 15 1 1 A 78 78 GLY HA2 H 78 4.154 4.027 0.127 1
1 910 . 15 1 1 A 78 78 GLY HA3 H 78 4.154 4.039 0.115 1
1 911 . 15 1 1 A 78 78 GLY CA C 78 44.731 45.256 -0.525 1
1 912 . 15 1 1 A 79 79 PRO HA H 79 4.495 4.381 0.114 1
1 917 . 15 1 1 A 79 79 PRO CA C 79 63.366 63.174 0.192 1
1 918 . 15 1 1 A 79 79 PRO CB C 79 32.289 32.140 0.149 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.967 4.066 -0.099 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.967 4.069 -0.102 1
1 3 . 16 1 1 A 7 7 GLY C C 7 173.907 172.351 1.556 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.273 44.781 0.492 1
1 5 . 16 1 1 A 8 8 ALA H H 8 8.092 8.136 -0.044 1
1 6 . 16 1 1 A 8 8 ALA HA H 8 4.335 4.774 -0.439 1
1 10 . 16 1 1 A 8 8 ALA C C 8 177.772 176.795 0.977 1
1 11 . 16 1 1 A 8 8 ALA CA C 8 52.468 51.501 0.967 1
1 12 . 16 1 1 A 8 8 ALA CB C 8 19.404 22.309 -2.905 1
1 13 . 16 1 1 A 8 8 ALA N N 8 123.589 120.397 3.192 1
1 14 . 16 1 1 A 9 9 ARG H H 9 8.298 9.131 -0.833 1
1 15 . 16 1 1 A 9 9 ARG HA H 9 4.348 4.016 0.332 1
1 22 . 16 1 1 A 9 9 ARG C C 9 175.894 174.838 1.056 1
1 23 . 16 1 1 A 9 9 ARG CA C 9 55.999 56.939 -0.940 1
1 24 . 16 1 1 A 9 9 ARG CB C 9 30.813 28.934 1.879 1
1 27 . 16 1 1 A 9 9 ARG N N 9 120.366 121.176 -0.810 1
1 28 . 16 1 1 A 10 10 ARG H H 10 8.212 8.224 -0.012 1
1 29 . 16 1 1 A 10 10 ARG HA H 10 4.468 4.819 -0.351 1
1 36 . 16 1 1 A 10 10 ARG C C 10 173.810 173.692 0.118 1
1 37 . 16 1 1 A 10 10 ARG CA C 10 53.783 53.372 0.411 1
1 38 . 16 1 1 A 10 10 ARG CB C 10 30.384 33.839 -3.455 1
1 41 . 16 1 1 A 10 10 ARG N N 10 122.690 123.014 -0.324 1
1 42 . 16 1 1 A 11 11 PRO HA H 11 4.322 3.530 0.792 1
1 49 . 16 1 1 A 11 11 PRO C C 11 176.427 176.380 0.047 1
1 50 . 16 1 1 A 11 11 PRO CA C 11 62.905 61.860 1.045 1
1 51 . 16 1 1 A 11 11 PRO CB C 11 31.929 32.286 -0.357 1
1 54 . 16 1 1 A 12 12 MET H H 12 8.237 8.066 0.171 1
1 55 . 16 1 1 A 12 12 MET HA H 12 4.441 4.441 0.000 1
1 63 . 16 1 1 A 12 12 MET C C 12 175.094 176.140 -1.046 1
1 64 . 16 1 1 A 12 12 MET CA C 12 55.400 54.217 1.183 1
1 65 . 16 1 1 A 12 12 MET CB C 12 33.327 33.437 -0.110 1
1 68 . 16 1 1 A 12 12 MET N N 12 120.543 118.850 1.693 1
1 69 . 16 1 1 A 13 13 ASN H H 13 7.399 8.542 -1.143 1
1 70 . 16 1 1 A 13 13 ASN HA H 13 4.650 5.059 -0.409 1
1 75 . 16 1 1 A 13 13 ASN C C 13 174.743 175.444 -0.701 1
1 76 . 16 1 1 A 13 13 ASN CA C 13 52.456 51.431 1.025 1
1 77 . 16 1 1 A 13 13 ASN CB C 13 39.513 39.190 0.323 1
1 78 . 16 1 1 A 13 13 ASN N N 13 118.399 119.950 -1.551 1
1 80 . 16 1 1 A 14 14 ALA H H 14 8.681 8.803 -0.122 1
1 81 . 16 1 1 A 14 14 ALA HA H 14 3.964 4.133 -0.169 1
1 85 . 16 1 1 A 14 14 ALA C C 14 177.736 179.013 -1.277 1
1 86 . 16 1 1 A 14 14 ALA CA C 14 56.221 55.088 1.133 1
1 87 . 16 1 1 A 14 14 ALA CB C 14 19.568 19.022 0.546 1
1 88 . 16 1 1 A 14 14 ALA N N 14 122.169 121.529 0.640 1
1 89 . 16 1 1 A 15 15 PHE H H 15 8.002 7.946 0.056 1
1 90 . 16 1 1 A 15 15 PHE HA H 15 2.866 1.903 0.963 1
1 98 . 16 1 1 A 15 15 PHE C C 15 177.821 176.435 1.386 1
1 99 . 16 1 1 A 15 15 PHE CA C 15 59.132 60.516 -1.384 1
1 100 . 16 1 1 A 15 15 PHE CB C 15 38.239 38.649 -0.410 1
1 106 . 16 1 1 A 15 15 PHE N N 15 116.867 118.405 -1.538 1
1 107 . 16 1 1 A 16 16 LEU H H 16 8.264 7.824 0.440 1
1 108 . 16 1 1 A 16 16 LEU HA H 16 3.642 3.402 0.240 1
1 118 . 16 1 1 A 16 16 LEU C C 16 180.354 179.508 0.846 1
1 119 . 16 1 1 A 16 16 LEU CA C 16 58.236 57.362 0.874 1
1 120 . 16 1 1 A 16 16 LEU CB C 16 41.365 41.217 0.148 1
1 124 . 16 1 1 A 16 16 LEU N N 16 120.647 119.398 1.249 1
1 125 . 16 1 1 A 17 17 LEU H H 17 7.977 8.590 -0.613 1
1 126 . 16 1 1 A 17 17 LEU HA H 17 4.065 3.894 0.171 1
1 136 . 16 1 1 A 17 17 LEU C C 17 178.984 179.170 -0.186 1
1 137 . 16 1 1 A 17 17 LEU CA C 17 58.165 58.220 -0.055 1
1 138 . 16 1 1 A 17 17 LEU CB C 17 41.693 42.380 -0.687 1
1 142 . 16 1 1 A 17 17 LEU N N 17 121.855 119.337 2.518 1
1 143 . 16 1 1 A 18 18 PHE H H 18 8.136 7.915 0.221 1
1 144 . 16 1 1 A 18 18 PHE HA H 18 3.769 4.242 -0.473 1
1 150 . 16 1 1 A 18 18 PHE C C 18 179.020 178.084 0.936 1
1 151 . 16 1 1 A 18 18 PHE CA C 18 62.333 61.926 0.407 1
1 152 . 16 1 1 A 18 18 PHE CB C 18 39.122 39.187 -0.065 1
1 156 . 16 1 1 A 18 18 PHE N N 18 122.907 118.286 4.621 1
1 157 . 16 1 1 A 19 19 CYS H H 19 8.520 7.872 0.648 1
1 158 . 16 1 1 A 19 19 CYS HA H 19 3.728 4.224 -0.496 1
1 161 . 16 1 1 A 19 19 CYS C C 19 176.136 176.804 -0.668 1
1 162 . 16 1 1 A 19 19 CYS CA C 19 64.313 63.674 0.639 1
1 163 . 16 1 1 A 19 19 CYS CB C 19 26.577 26.938 -0.361 1
1 164 . 16 1 1 A 19 19 CYS N N 19 119.069 116.720 2.349 1
1 165 . 16 1 1 A 20 20 LYS H H 20 7.969 8.055 -0.086 1
1 166 . 16 1 1 A 20 20 LYS HA H 20 3.953 4.123 -0.170 1
1 175 . 16 1 1 A 20 20 LYS C C 20 179.133 177.261 1.872 1
1 176 . 16 1 1 A 20 20 LYS CA C 20 59.295 58.348 0.947 1
1 177 . 16 1 1 A 20 20 LYS CB C 20 32.111 32.038 0.073 1
1 181 . 16 1 1 A 20 20 LYS N N 20 119.888 120.013 -0.125 1
1 182 . 16 1 1 A 21 21 ARG H H 21 7.493 7.691 -0.198 1
1 183 . 16 1 1 A 21 21 ARG HA H 21 4.166 4.348 -0.182 1
1 190 . 16 1 1 A 21 21 ARG C C 21 177.239 177.771 -0.532 1
1 191 . 16 1 1 A 21 21 ARG CA C 21 57.575 57.673 -0.098 1
1 192 . 16 1 1 A 21 21 ARG CB C 21 30.137 31.280 -1.143 1
1 195 . 16 1 1 A 21 21 ARG N N 21 116.105 118.541 -2.436 1
1 196 . 16 1 1 A 22 22 HIS H H 22 7.354 8.370 -1.016 1
1 197 . 16 1 1 A 22 22 HIS HA H 22 4.706 4.413 0.293 1
1 201 . 16 1 1 A 22 22 HIS C C 22 175.627 176.839 -1.212 1
1 202 . 16 1 1 A 22 22 HIS CA C 22 58.593 58.935 -0.342 1
1 203 . 16 1 1 A 22 22 HIS CB C 22 30.754 29.847 0.907 1
1 205 . 16 1 1 A 22 22 HIS N N 22 113.808 117.236 -3.428 1
1 206 . 16 1 1 A 23 23 ARG H H 23 8.372 8.203 0.169 1
1 207 . 16 1 1 A 23 23 ARG HA H 23 3.793 3.872 -0.079 1
1 214 . 16 1 1 A 23 23 ARG C C 23 177.930 178.428 -0.498 1
1 215 . 16 1 1 A 23 23 ARG CA C 23 60.747 59.560 1.187 1
1 216 . 16 1 1 A 23 23 ARG CB C 23 29.251 30.355 -1.104 1
1 219 . 16 1 1 A 23 23 ARG N N 23 123.560 120.649 2.911 1
1 220 . 16 1 1 A 24 24 SER HA H 24 4.163 4.124 0.039 1
1 223 . 16 1 1 A 24 24 SER CA C 24 61.523 61.717 -0.194 1
1 224 . 16 1 1 A 24 24 SER CB C 24 62.116 63.018 -0.902 1
1 225 . 16 1 1 A 25 25 LEU H H 25 7.504 8.095 -0.591 1
1 226 . 16 1 1 A 25 25 LEU HA H 25 4.265 4.014 0.251 1
1 236 . 16 1 1 A 25 25 LEU C C 25 179.336 178.530 0.806 1
1 237 . 16 1 1 A 25 25 LEU CA C 25 57.837 58.629 -0.792 1
1 238 . 16 1 1 A 25 25 LEU CB C 25 41.470 42.263 -0.793 1
1 242 . 16 1 1 A 25 25 LEU N N 25 124.174 122.106 2.068 1
1 243 . 16 1 1 A 26 26 VAL H H 26 7.802 8.149 -0.347 1
1 244 . 16 1 1 A 26 26 VAL HA H 26 3.833 3.585 0.248 1
1 252 . 16 1 1 A 26 26 VAL C C 26 177.712 178.035 -0.323 1
1 253 . 16 1 1 A 26 26 VAL CA C 26 66.662 67.099 -0.437 1
1 254 . 16 1 1 A 26 26 VAL CB C 26 31.670 31.364 0.306 1
1 257 . 16 1 1 A 26 26 VAL N N 26 119.266 119.181 0.085 1
1 258 . 16 1 1 A 27 27 ARG H H 27 7.922 8.633 -0.711 1
1 259 . 16 1 1 A 27 27 ARG HA H 27 4.043 4.009 0.034 1
1 266 . 16 1 1 A 27 27 ARG C C 27 177.785 178.653 -0.868 1
1 267 . 16 1 1 A 27 27 ARG CA C 27 58.683 59.751 -1.068 1
1 268 . 16 1 1 A 27 27 ARG CB C 27 29.720 30.051 -0.331 1
1 271 . 16 1 1 A 27 27 ARG N N 27 118.035 119.254 -1.219 1
1 272 . 16 1 1 A 28 28 GLN H H 28 7.707 8.388 -0.681 1
1 273 . 16 1 1 A 28 28 GLN HA H 28 4.092 4.191 -0.099 1
1 280 . 16 1 1 A 28 28 GLN C C 28 177.785 178.365 -0.580 1
1 281 . 16 1 1 A 28 28 GLN CA C 28 58.233 58.610 -0.377 1
1 282 . 16 1 1 A 28 28 GLN CB C 28 29.191 29.047 0.144 1
1 284 . 16 1 1 A 28 28 GLN N N 28 116.893 117.905 -1.012 1
1 286 . 16 1 1 A 29 29 GLU H H 29 7.864 8.685 -0.821 1
1 287 . 16 1 1 A 29 29 GLU HA H 29 4.131 3.965 0.166 1
1 292 . 16 1 1 A 29 29 GLU C C 29 176.246 176.103 0.143 1
1 293 . 16 1 1 A 29 29 GLU CA C 29 57.808 58.869 -1.061 1
1 294 . 16 1 1 A 29 29 GLU CB C 29 31.004 29.504 1.500 1
1 296 . 16 1 1 A 29 29 GLU N N 29 116.949 118.854 -1.905 1
1 297 . 16 1 1 A 30 30 HIS H H 30 8.058 8.631 -0.573 1
1 298 . 16 1 1 A 30 30 HIS HA H 30 5.071 5.099 -0.028 1
1 303 . 16 1 1 A 30 30 HIS C C 30 173.519 174.057 -0.538 1
1 304 . 16 1 1 A 30 30 HIS CA C 30 53.347 53.329 0.018 1
1 305 . 16 1 1 A 30 30 HIS CB C 30 30.649 29.748 0.901 1
1 308 . 16 1 1 A 30 30 HIS N N 30 116.711 117.225 -0.514 1
1 309 . 16 1 1 A 31 31 PRO HA H 31 4.648 4.355 0.293 1
1 316 . 16 1 1 A 31 31 PRO C C 31 178.197 179.232 -1.035 1
1 317 . 16 1 1 A 31 31 PRO CA C 31 64.911 65.341 -0.430 1
1 318 . 16 1 1 A 31 31 PRO CB C 31 32.458 31.882 0.576 1
1 321 . 16 1 1 A 32 32 ARG H H 32 8.617 8.713 -0.096 1
1 322 . 16 1 1 A 32 32 ARG HA H 32 4.406 4.100 0.306 1
1 329 . 16 1 1 A 32 32 ARG C C 32 176.815 177.380 -0.565 1
1 330 . 16 1 1 A 32 32 ARG CA C 32 55.959 58.787 -2.828 1
1 331 . 16 1 1 A 32 32 ARG CB C 32 29.808 29.846 -0.038 1
1 334 . 16 1 1 A 32 32 ARG N N 32 116.125 118.435 -2.310 1
1 335 . 16 1 1 A 33 33 LEU H H 33 7.421 7.646 -0.225 1
1 336 . 16 1 1 A 33 33 LEU HA H 33 4.409 4.218 0.191 1
1 346 . 16 1 1 A 33 33 LEU C C 33 177.349 176.363 0.986 1
1 347 . 16 1 1 A 33 33 LEU CA C 33 55.140 55.311 -0.171 1
1 348 . 16 1 1 A 33 33 LEU CB C 33 43.420 42.528 0.892 1
1 352 . 16 1 1 A 33 33 LEU N N 33 120.576 120.547 0.029 1
1 353 . 16 1 1 A 34 34 ASP H H 34 8.168 9.112 -0.944 1
1 354 . 16 1 1 A 34 34 ASP HA H 34 4.646 4.732 -0.086 1
1 357 . 16 1 1 A 34 34 ASP C C 34 175.821 177.301 -1.480 1
1 358 . 16 1 1 A 34 34 ASP CA C 34 52.415 56.154 -3.739 1
1 359 . 16 1 1 A 34 34 ASP CB C 34 41.177 41.649 -0.472 1
1 360 . 16 1 1 A 34 34 ASP N N 34 122.502 123.123 -0.621 1
1 361 . 16 1 1 A 35 35 ASN HA H 35 4.395 4.947 -0.552 1
1 366 . 16 1 1 A 35 35 ASN CA C 35 57.033 54.073 2.960 1
1 367 . 16 1 1 A 35 35 ASN CB C 35 38.344 40.184 -1.840 1
1 369 . 16 1 1 A 36 36 ARG HA H 36 4.096 4.038 0.058 1
1 376 . 16 1 1 A 36 36 ARG C C 36 179.554 179.706 -0.152 1
1 377 . 16 1 1 A 36 36 ARG CA C 36 59.527 59.115 0.412 1
1 378 . 16 1 1 A 36 36 ARG CB C 36 29.626 29.846 -0.220 1
1 381 . 16 1 1 A 37 37 GLY H H 37 8.618 8.432 0.186 1
1 382 . 16 1 1 A 37 37 GLY HA2 H 37 3.888 3.783 0.105 1
1 383 . 16 1 1 A 37 37 GLY HA3 H 37 3.754 3.786 -0.032 1
1 384 . 16 1 1 A 37 37 GLY C C 37 176.597 175.730 0.867 1
1 385 . 16 1 1 A 37 37 GLY CA C 37 47.048 47.090 -0.042 1
1 386 . 16 1 1 A 37 37 GLY N N 37 110.017 108.429 1.588 1
1 387 . 16 1 1 A 38 38 ALA H H 38 8.619 7.970 0.649 1
1 388 . 16 1 1 A 38 38 ALA HA H 38 3.945 3.877 0.068 1
1 392 . 16 1 1 A 38 38 ALA C C 38 178.924 179.588 -0.664 1
1 393 . 16 1 1 A 38 38 ALA CA C 38 55.123 54.564 0.559 1
1 394 . 16 1 1 A 38 38 ALA CB C 38 18.046 18.433 -0.387 1
1 395 . 16 1 1 A 38 38 ALA N N 38 124.889 124.204 0.685 1
1 396 . 16 1 1 A 39 39 THR H H 39 8.239 8.090 0.149 1
1 397 . 16 1 1 A 39 39 THR HA H 39 3.895 3.968 -0.073 1
1 402 . 16 1 1 A 39 39 THR C C 39 175.252 176.432 -1.180 1
1 403 . 16 1 1 A 39 39 THR CA C 39 66.889 66.265 0.624 1
1 404 . 16 1 1 A 39 39 THR CB C 39 68.607 68.143 0.464 1
1 406 . 16 1 1 A 39 39 THR N N 39 114.810 113.899 0.911 1
1 407 . 16 1 1 A 40 40 LYS H H 40 7.518 7.851 -0.333 1
1 408 . 16 1 1 A 40 40 LYS HA H 40 4.098 4.253 -0.155 1
1 417 . 16 1 1 A 40 40 LYS C C 40 178.330 177.991 0.339 1
1 418 . 16 1 1 A 40 40 LYS CA C 40 59.746 57.798 1.948 1
1 419 . 16 1 1 A 40 40 LYS CB C 40 32.106 32.177 -0.071 1
1 423 . 16 1 1 A 40 40 LYS N N 40 122.046 119.692 2.354 1
1 424 . 16 1 1 A 41 41 ILE H H 41 7.218 7.476 -0.258 1
1 425 . 16 1 1 A 41 41 ILE HA H 41 3.722 3.868 -0.146 1
1 435 . 16 1 1 A 41 41 ILE C C 41 178.197 178.413 -0.216 1
1 436 . 16 1 1 A 41 41 ILE CA C 41 64.055 63.496 0.559 1
1 437 . 16 1 1 A 41 41 ILE CB C 41 36.482 37.276 -0.794 1
1 441 . 16 1 1 A 41 41 ILE N N 41 119.019 118.685 0.334 1
1 442 . 16 1 1 A 42 42 LEU H H 42 7.940 7.909 0.031 1
1 443 . 16 1 1 A 42 42 LEU HA H 42 3.988 4.020 -0.032 1
1 453 . 16 1 1 A 42 42 LEU C C 42 179.251 179.056 0.195 1
1 454 . 16 1 1 A 42 42 LEU CA C 42 58.605 57.962 0.643 1
1 455 . 16 1 1 A 42 42 LEU CB C 42 41.694 41.565 0.129 1
1 459 . 16 1 1 A 42 42 LEU N N 42 119.163 121.481 -2.318 1
1 460 . 16 1 1 A 43 43 ALA H H 43 8.732 8.207 0.525 1
1 461 . 16 1 1 A 43 43 ALA HA H 43 4.222 4.256 -0.034 1
1 465 . 16 1 1 A 43 43 ALA C C 43 180.899 179.133 1.766 1
1 466 . 16 1 1 A 43 43 ALA CA C 43 55.699 55.661 0.038 1
1 467 . 16 1 1 A 43 43 ALA CB C 43 17.859 18.676 -0.817 1
1 468 . 16 1 1 A 43 43 ALA N N 43 122.225 121.432 0.793 1
1 469 . 16 1 1 A 44 44 ASP H H 44 8.350 8.481 -0.131 1
1 470 . 16 1 1 A 44 44 ASP HA H 44 4.545 4.369 0.176 1
1 473 . 16 1 1 A 44 44 ASP C C 44 179.227 178.639 0.588 1
1 474 . 16 1 1 A 44 44 ASP CA C 44 57.507 57.403 0.104 1
1 475 . 16 1 1 A 44 44 ASP CB C 44 39.719 41.028 -1.309 1
1 476 . 16 1 1 A 44 44 ASP N N 44 122.950 118.119 4.831 1
1 477 . 16 1 1 A 45 45 TRP H H 45 8.831 8.221 0.610 1
1 478 . 16 1 1 A 45 45 TRP HA H 45 4.692 4.358 0.334 1
1 487 . 16 1 1 A 45 45 TRP C C 45 179.057 178.884 0.173 1
1 488 . 16 1 1 A 45 45 TRP CA C 45 58.008 59.973 -1.965 1
1 489 . 16 1 1 A 45 45 TRP CB C 45 29.520 29.756 -0.236 1
1 495 . 16 1 1 A 45 45 TRP N N 45 122.321 119.667 2.654 1
1 497 . 16 1 1 A 46 46 TRP H H 46 8.921 8.599 0.322 1
1 498 . 16 1 1 A 46 46 TRP HA H 46 3.733 3.591 0.142 1
1 507 . 16 1 1 A 46 46 TRP C C 46 177.664 177.545 0.119 1
1 508 . 16 1 1 A 46 46 TRP CA C 46 59.279 60.937 -1.658 1
1 509 . 16 1 1 A 46 46 TRP CB C 46 30.508 29.046 1.462 1
1 515 . 16 1 1 A 46 46 TRP N N 46 120.243 121.489 -1.246 1
1 517 . 16 1 1 A 47 47 ALA H H 47 7.918 9.490 -1.572 1
1 518 . 16 1 1 A 47 47 ALA HA H 47 3.918 4.033 -0.115 1
1 522 . 16 1 1 A 47 47 ALA C C 47 179.978 178.310 1.668 1
1 523 . 16 1 1 A 47 47 ALA CA C 47 55.011 55.198 -0.187 1
1 524 . 16 1 1 A 47 47 ALA CB C 47 18.581 18.689 -0.108 1
1 525 . 16 1 1 A 47 47 ALA N N 47 117.935 121.054 -3.119 1
1 526 . 16 1 1 A 48 48 VAL H H 48 7.106 7.462 -0.356 1
1 527 . 16 1 1 A 48 48 VAL HA H 48 4.378 4.260 0.118 1
1 535 . 16 1 1 A 48 48 VAL C C 48 175.627 174.647 0.980 1
1 536 . 16 1 1 A 48 48 VAL CA C 48 60.641 60.260 0.381 1
1 537 . 16 1 1 A 48 48 VAL CB C 48 31.865 31.165 0.700 1
1 540 . 16 1 1 A 48 48 VAL N N 48 107.757 108.204 -0.447 1
1 541 . 16 1 1 A 49 49 LEU H H 49 7.008 7.249 -0.241 1
1 542 . 16 1 1 A 49 49 LEU HA H 49 3.948 4.970 -1.022 1
1 552 . 16 1 1 A 49 49 LEU C C 49 176.258 174.435 1.823 1
1 553 . 16 1 1 A 49 49 LEU CA C 49 55.032 53.338 1.694 1
1 554 . 16 1 1 A 49 49 LEU CB C 49 42.822 45.411 -2.589 1
1 558 . 16 1 1 A 49 49 LEU N N 49 125.594 124.496 1.098 1
1 559 . 16 1 1 A 50 50 ASP H H 50 8.485 8.530 -0.045 1
1 560 . 16 1 1 A 50 50 ASP HA H 50 4.643 4.744 -0.101 1
1 563 . 16 1 1 A 50 50 ASP CA C 50 52.855 52.919 -0.064 1
1 564 . 16 1 1 A 50 50 ASP CB C 50 42.605 40.914 1.691 1
1 565 . 16 1 1 A 51 51 PRO HA H 51 4.025 4.238 -0.213 1
1 572 . 16 1 1 A 51 51 PRO C C 51 179.166 178.375 0.791 1
1 573 . 16 1 1 A 51 51 PRO CA C 51 65.861 65.386 0.475 1
1 574 . 16 1 1 A 51 51 PRO CB C 51 32.458 31.578 0.880 1
1 577 . 16 1 1 A 52 52 LYS H H 52 8.866 8.114 0.752 1
1 578 . 16 1 1 A 52 52 LYS HA H 52 4.165 4.030 0.135 1
1 585 . 16 1 1 A 52 52 LYS C C 52 179.542 179.349 0.193 1
1 586 . 16 1 1 A 52 52 LYS CA C 52 59.484 59.459 0.025 1
1 587 . 16 1 1 A 52 52 LYS CB C 52 31.906 32.313 -0.407 1
1 591 . 16 1 1 A 52 52 LYS N N 52 118.625 118.385 0.240 1
1 592 . 16 1 1 A 53 53 GLU H H 53 7.727 8.340 -0.613 1
1 593 . 16 1 1 A 53 53 GLU HA H 53 4.343 4.095 0.248 1
1 598 . 16 1 1 A 53 53 GLU C C 53 179.335 179.734 -0.399 1
1 599 . 16 1 1 A 53 53 GLU CA C 53 58.355 59.363 -1.008 1
1 600 . 16 1 1 A 53 53 GLU CB C 53 29.726 29.316 0.410 1
1 602 . 16 1 1 A 53 53 GLU N N 53 120.460 118.962 1.498 1
1 603 . 16 1 1 A 54 54 LYS H H 54 8.194 7.529 0.665 1
1 604 . 16 1 1 A 54 54 LYS HA H 54 3.949 4.467 -0.518 1
1 613 . 16 1 1 A 54 54 LYS C C 54 179.566 179.128 0.438 1
1 614 . 16 1 1 A 54 54 LYS CA C 54 60.920 60.112 0.808 1
1 615 . 16 1 1 A 54 54 LYS CB C 54 32.481 32.242 0.239 1
1 619 . 16 1 1 A 54 54 LYS N N 54 118.859 118.777 0.082 1
1 620 . 16 1 1 A 55 55 GLN H H 55 7.965 8.914 -0.949 1
1 621 . 16 1 1 A 55 55 GLN HA H 55 4.025 4.065 -0.040 1
1 628 . 16 1 1 A 55 55 GLN C C 55 177.154 177.946 -0.792 1
1 629 . 16 1 1 A 55 55 GLN CA C 55 58.064 58.989 -0.925 1
1 630 . 16 1 1 A 55 55 GLN CB C 55 28.163 28.731 -0.568 1
1 632 . 16 1 1 A 55 55 GLN N N 55 117.922 119.927 -2.005 1
1 634 . 16 1 1 A 56 56 LYS H H 56 7.483 7.631 -0.148 1
1 635 . 16 1 1 A 56 56 LYS HA H 56 4.205 4.039 0.166 1
1 644 . 16 1 1 A 56 56 LYS C C 56 179.772 178.515 1.257 1
1 645 . 16 1 1 A 56 56 LYS CA C 56 59.671 59.311 0.360 1
1 646 . 16 1 1 A 56 56 LYS CB C 56 31.700 32.212 -0.512 1
1 650 . 16 1 1 A 56 56 LYS N N 56 118.491 119.450 -0.959 1
1 651 . 16 1 1 A 57 57 TYR H H 57 7.707 8.117 -0.410 1
1 652 . 16 1 1 A 57 57 TYR HA H 57 4.344 4.490 -0.146 1
1 659 . 16 1 1 A 57 57 TYR C C 57 177.966 178.614 -0.648 1
1 660 . 16 1 1 A 57 57 TYR CA C 57 62.784 60.020 2.764 1
1 661 . 16 1 1 A 57 57 TYR CB C 57 38.973 38.381 0.592 1
1 666 . 16 1 1 A 57 57 TYR N N 57 117.968 119.193 -1.225 1
1 667 . 16 1 1 A 58 58 THR H H 58 8.458 9.557 -1.099 1
1 668 . 16 1 1 A 58 58 THR HA H 58 4.074 4.056 0.018 1
1 673 . 16 1 1 A 58 58 THR C C 58 177.203 175.880 1.323 1
1 674 . 16 1 1 A 58 58 THR CA C 58 67.168 67.055 0.113 1
1 675 . 16 1 1 A 58 58 THR CB C 58 68.401 68.683 -0.282 1
1 677 . 16 1 1 A 58 58 THR N N 58 118.700 115.719 2.981 1
1 678 . 16 1 1 A 59 59 ASP H H 59 8.807 8.337 0.470 1
1 679 . 16 1 1 A 59 59 ASP HA H 59 4.514 4.394 0.120 1
1 682 . 16 1 1 A 59 59 ASP C C 59 179.154 178.684 0.470 1
1 683 . 16 1 1 A 59 59 ASP CA C 59 57.754 57.437 0.317 1
1 684 . 16 1 1 A 59 59 ASP CB C 59 39.801 40.784 -0.983 1
1 685 . 16 1 1 A 59 59 ASP N N 59 123.812 121.361 2.451 1
1 686 . 16 1 1 A 60 60 MET H H 60 8.085 8.563 -0.478 1
1 687 . 16 1 1 A 60 60 MET HA H 60 4.161 4.061 0.100 1
1 695 . 16 1 1 A 60 60 MET C C 60 178.378 178.434 -0.056 1
1 696 . 16 1 1 A 60 60 MET CA C 60 58.980 59.256 -0.276 1
1 697 . 16 1 1 A 60 60 MET CB C 60 34.227 32.421 1.806 1
1 700 . 16 1 1 A 60 60 MET N N 60 120.481 118.072 2.409 1
1 701 . 16 1 1 A 61 61 ALA H H 61 8.296 8.471 -0.175 1
1 702 . 16 1 1 A 61 61 ALA HA H 61 4.114 4.276 -0.162 1
1 706 . 16 1 1 A 61 61 ALA C C 61 179.408 179.690 -0.282 1
1 707 . 16 1 1 A 61 61 ALA CA C 61 54.935 55.266 -0.331 1
1 708 . 16 1 1 A 61 61 ALA CB C 61 17.759 19.007 -1.248 1
1 709 . 16 1 1 A 61 61 ALA N N 61 121.147 121.687 -0.540 1
1 710 . 16 1 1 A 62 62 LYS H H 62 7.812 8.328 -0.516 1
1 711 . 16 1 1 A 62 62 LYS HA H 62 4.177 4.112 0.065 1
1 720 . 16 1 1 A 62 62 LYS C C 62 177.979 178.207 -0.228 1
1 721 . 16 1 1 A 62 62 LYS CA C 62 59.289 59.184 0.105 1
1 722 . 16 1 1 A 62 62 LYS CB C 62 32.539 31.992 0.547 1
1 726 . 16 1 1 A 62 62 LYS N N 62 119.686 117.836 1.850 1
1 727 . 16 1 1 A 63 63 GLU H H 63 7.810 7.638 0.172 1
1 728 . 16 1 1 A 63 63 GLU HA H 63 4.216 4.163 0.053 1
1 733 . 16 1 1 A 63 63 GLU C C 63 178.597 178.821 -0.224 1
1 734 . 16 1 1 A 63 63 GLU CA C 63 58.386 58.813 -0.427 1
1 735 . 16 1 1 A 63 63 GLU CB C 63 29.644 29.977 -0.333 1
1 737 . 16 1 1 A 63 63 GLU N N 63 118.765 119.702 -0.937 1
1 738 . 16 1 1 A 64 64 TYR H H 64 8.098 8.484 -0.386 1
1 739 . 16 1 1 A 64 64 TYR HA H 64 4.395 4.247 0.148 1
1 746 . 16 1 1 A 64 64 TYR C C 64 177.639 178.180 -0.541 1
1 747 . 16 1 1 A 64 64 TYR CA C 64 60.006 61.334 -1.328 1
1 748 . 16 1 1 A 64 64 TYR CB C 64 38.198 38.283 -0.085 1
1 753 . 16 1 1 A 64 64 TYR N N 64 119.914 120.113 -0.199 1
1 754 . 16 1 1 A 65 65 LYS H H 65 8.225 8.851 -0.626 1
1 755 . 16 1 1 A 65 65 LYS HA H 65 4.146 4.088 0.058 1
1 764 . 16 1 1 A 65 65 LYS C C 65 177.481 178.157 -0.676 1
1 765 . 16 1 1 A 65 65 LYS CA C 65 58.793 59.982 -1.189 1
1 766 . 16 1 1 A 65 65 LYS CB C 65 32.523 32.560 -0.037 1
1 770 . 16 1 1 A 65 65 LYS N N 65 122.842 120.541 2.301 1
1 771 . 16 1 1 A 66 66 ASP H H 66 8.402 8.273 0.129 1
1 772 . 16 1 1 A 66 66 ASP HA H 66 4.485 4.262 0.223 1
1 775 . 16 1 1 A 66 66 ASP C C 66 177.930 178.361 -0.431 1
1 776 . 16 1 1 A 66 66 ASP CA C 66 56.423 57.691 -1.268 1
1 777 . 16 1 1 A 66 66 ASP CB C 66 40.829 40.996 -0.167 1
1 778 . 16 1 1 A 66 66 ASP N N 66 120.424 119.343 1.081 1
1 779 . 16 1 1 A 67 67 ALA H H 67 7.989 7.668 0.321 1
1 780 . 16 1 1 A 67 67 ALA HA H 67 4.151 4.091 0.060 1
1 784 . 16 1 1 A 67 67 ALA C C 67 179.457 179.441 0.016 1
1 785 . 16 1 1 A 67 67 ALA CA C 67 54.274 55.110 -0.836 1
1 786 . 16 1 1 A 67 67 ALA CB C 67 18.499 18.326 0.173 1
1 787 . 16 1 1 A 67 67 ALA N N 67 122.273 121.811 0.462 1
1 788 . 16 1 1 A 68 68 PHE H H 68 8.235 9.341 -1.106 1
1 789 . 16 1 1 A 68 68 PHE HA H 68 4.314 4.034 0.280 1
1 796 . 16 1 1 A 68 68 PHE C C 68 177.421 176.330 1.091 1
1 797 . 16 1 1 A 68 68 PHE CA C 68 60.193 61.741 -1.548 1
1 798 . 16 1 1 A 68 68 PHE CB C 68 39.390 39.392 -0.002 1
1 803 . 16 1 1 A 68 68 PHE N N 68 119.632 119.470 0.162 1
1 804 . 16 1 1 A 69 69 MET H H 69 8.325 9.160 -0.835 1
1 805 . 16 1 1 A 69 69 MET HA H 69 4.296 4.875 -0.579 1
1 813 . 16 1 1 A 69 69 MET C C 69 177.651 175.725 1.926 1
1 814 . 16 1 1 A 69 69 MET CA C 69 56.645 54.130 2.515 1
1 815 . 16 1 1 A 69 69 MET CB C 69 32.108 30.909 1.199 1
1 818 . 16 1 1 A 69 69 MET N N 69 119.223 115.496 3.727 1
1 819 . 16 1 1 A 70 70 LYS H H 70 7.864 8.402 -0.538 1
1 820 . 16 1 1 A 70 70 LYS HA H 70 4.092 4.393 -0.301 1
1 829 . 16 1 1 A 70 70 LYS C C 70 177.009 176.279 0.730 1
1 830 . 16 1 1 A 70 70 LYS CA C 70 57.769 57.633 0.136 1
1 831 . 16 1 1 A 70 70 LYS CB C 70 32.687 34.666 -1.979 1
1 835 . 16 1 1 A 70 70 LYS N N 70 120.004 126.552 -6.548 1
1 836 . 16 1 1 A 71 71 ALA H H 71 7.670 7.713 -0.043 1
1 837 . 16 1 1 A 71 71 ALA HA H 71 4.264 4.365 -0.101 1
1 841 . 16 1 1 A 71 71 ALA C C 71 177.009 175.684 1.325 1
1 842 . 16 1 1 A 71 71 ALA CA C 71 52.603 51.525 1.078 1
1 843 . 16 1 1 A 71 71 ALA CB C 71 19.321 17.538 1.783 1
1 844 . 16 1 1 A 71 71 ALA N N 71 121.270 120.356 0.914 1
1 845 . 16 1 1 A 72 72 ASN H H 72 7.846 7.793 0.053 1
1 846 . 16 1 1 A 72 72 ASN HA H 72 4.972 5.295 -0.323 1
1 851 . 16 1 1 A 72 72 ASN C C 72 172.453 173.242 -0.789 1
1 852 . 16 1 1 A 72 72 ASN CA C 72 51.185 50.072 1.113 1
1 853 . 16 1 1 A 72 72 ASN CB C 72 39.350 40.178 -0.828 1
1 854 . 16 1 1 A 72 72 ASN N N 72 117.432 119.305 -1.873 1
1 856 . 16 1 1 A 73 73 PRO HA H 73 4.465 4.383 0.082 1
1 863 . 16 1 1 A 73 73 PRO C C 73 177.857 177.792 0.065 1
1 864 . 16 1 1 A 73 73 PRO CA C 73 63.972 63.738 0.234 1
1 865 . 16 1 1 A 73 73 PRO CB C 73 31.884 31.297 0.587 1
1 868 . 16 1 1 A 74 74 GLY H H 74 8.538 8.871 -0.333 1
1 869 . 16 1 1 A 74 74 GLY HA2 H 74 3.881 4.019 -0.138 1
1 870 . 16 1 1 A 74 74 GLY HA3 H 74 3.957 4.039 -0.082 1
1 871 . 16 1 1 A 74 74 GLY C C 74 174.210 174.795 -0.585 1
1 872 . 16 1 1 A 74 74 GLY CA C 74 45.216 46.803 -1.587 1
1 873 . 16 1 1 A 74 74 GLY N N 74 108.444 113.165 -4.721 1
1 874 . 16 1 1 A 75 75 TYR H H 75 7.878 8.039 -0.161 1
1 875 . 16 1 1 A 75 75 TYR HA H 75 4.449 4.849 -0.400 1
1 882 . 16 1 1 A 75 75 TYR C C 75 175.640 175.968 -0.328 1
1 883 . 16 1 1 A 75 75 TYR CA C 75 58.778 57.842 0.936 1
1 884 . 16 1 1 A 75 75 TYR CB C 75 38.856 40.027 -1.171 1
1 889 . 16 1 1 A 75 75 TYR N N 75 120.970 118.904 2.066 1
1 890 . 16 1 1 A 76 76 ARG H H 76 8.039 6.672 1.367 1
1 891 . 16 1 1 A 76 76 ARG HA H 76 4.346 4.352 -0.006 1
1 898 . 16 1 1 A 76 76 ARG C C 76 175.482 175.277 0.205 1
1 899 . 16 1 1 A 76 76 ARG CA C 76 55.510 56.784 -1.274 1
1 900 . 16 1 1 A 76 76 ARG CB C 76 31.307 32.711 -1.404 1
1 903 . 16 1 1 A 76 76 ARG N N 76 124.540 119.392 5.148 1
1 904 . 16 1 1 A 77 77 SER HA H 77 4.430 4.178 0.252 1
1 907 . 16 1 1 A 77 77 SER CA C 77 58.319 58.250 0.069 1
1 908 . 16 1 1 A 77 77 SER CB C 77 63.982 63.587 0.395 1
1 909 . 16 1 1 A 78 78 GLY HA2 H 78 4.154 3.978 0.176 1
1 910 . 16 1 1 A 78 78 GLY HA3 H 78 4.154 3.999 0.155 1
1 911 . 16 1 1 A 78 78 GLY CA C 78 44.731 44.694 0.037 1
1 912 . 16 1 1 A 79 79 PRO HA H 79 4.495 4.346 0.149 1
1 917 . 16 1 1 A 79 79 PRO CA C 79 63.366 63.059 0.307 1
1 918 . 16 1 1 A 79 79 PRO CB C 79 32.289 30.907 1.382 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.967 3.761 0.206 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.967 3.769 0.198 1
1 3 . 17 1 1 A 7 7 GLY C C 7 173.907 174.821 -0.914 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.273 46.971 -1.698 1
1 5 . 17 1 1 A 8 8 ALA H H 8 8.092 8.572 -0.480 1
1 6 . 17 1 1 A 8 8 ALA HA H 8 4.335 3.916 0.419 1
1 10 . 17 1 1 A 8 8 ALA C C 8 177.772 176.316 1.456 1
1 11 . 17 1 1 A 8 8 ALA CA C 8 52.468 53.276 -0.808 1
1 12 . 17 1 1 A 8 8 ALA CB C 8 19.404 17.564 1.840 1
1 13 . 17 1 1 A 8 8 ALA N N 8 123.589 123.431 0.158 1
1 14 . 17 1 1 A 9 9 ARG H H 9 8.298 7.558 0.740 1
1 15 . 17 1 1 A 9 9 ARG HA H 9 4.348 4.790 -0.442 1
1 22 . 17 1 1 A 9 9 ARG C C 9 175.894 174.294 1.600 1
1 23 . 17 1 1 A 9 9 ARG CA C 9 55.999 55.448 0.551 1
1 24 . 17 1 1 A 9 9 ARG CB C 9 30.813 31.312 -0.499 1
1 27 . 17 1 1 A 9 9 ARG N N 9 120.366 115.574 4.792 1
1 28 . 17 1 1 A 10 10 ARG H H 10 8.212 8.547 -0.335 1
1 29 . 17 1 1 A 10 10 ARG HA H 10 4.468 4.627 -0.159 1
1 36 . 17 1 1 A 10 10 ARG C C 10 173.810 172.952 0.858 1
1 37 . 17 1 1 A 10 10 ARG CA C 10 53.783 54.452 -0.669 1
1 38 . 17 1 1 A 10 10 ARG CB C 10 30.384 32.294 -1.910 1
1 41 . 17 1 1 A 10 10 ARG N N 10 122.690 118.637 4.053 1
1 42 . 17 1 1 A 11 11 PRO HA H 11 4.322 4.012 0.310 1
1 49 . 17 1 1 A 11 11 PRO C C 11 176.427 176.761 -0.334 1
1 50 . 17 1 1 A 11 11 PRO CA C 11 62.905 62.024 0.881 1
1 51 . 17 1 1 A 11 11 PRO CB C 11 31.929 32.240 -0.311 1
1 54 . 17 1 1 A 12 12 MET H H 12 8.237 8.207 0.030 1
1 55 . 17 1 1 A 12 12 MET HA H 12 4.441 4.474 -0.033 1
1 63 . 17 1 1 A 12 12 MET C C 12 175.094 176.149 -1.055 1
1 64 . 17 1 1 A 12 12 MET CA C 12 55.400 54.708 0.692 1
1 65 . 17 1 1 A 12 12 MET CB C 12 33.327 33.030 0.297 1
1 68 . 17 1 1 A 12 12 MET N N 12 120.543 119.236 1.307 1
1 69 . 17 1 1 A 13 13 ASN H H 13 7.399 8.951 -1.552 1
1 70 . 17 1 1 A 13 13 ASN HA H 13 4.650 5.004 -0.354 1
1 75 . 17 1 1 A 13 13 ASN C C 13 174.743 176.948 -2.205 1
1 76 . 17 1 1 A 13 13 ASN CA C 13 52.456 52.703 -0.247 1
1 77 . 17 1 1 A 13 13 ASN CB C 13 39.513 39.659 -0.146 1
1 78 . 17 1 1 A 13 13 ASN N N 13 118.399 121.056 -2.657 1
1 80 . 17 1 1 A 14 14 ALA H H 14 8.681 8.858 -0.177 1
1 81 . 17 1 1 A 14 14 ALA HA H 14 3.964 4.176 -0.212 1
1 85 . 17 1 1 A 14 14 ALA C C 14 177.736 179.620 -1.884 1
1 86 . 17 1 1 A 14 14 ALA CA C 14 56.221 55.158 1.063 1
1 87 . 17 1 1 A 14 14 ALA CB C 14 19.568 18.240 1.328 1
1 88 . 17 1 1 A 14 14 ALA N N 14 122.169 122.846 -0.677 1
1 89 . 17 1 1 A 15 15 PHE H H 15 8.002 7.708 0.294 1
1 90 . 17 1 1 A 15 15 PHE HA H 15 2.866 2.708 0.158 1
1 98 . 17 1 1 A 15 15 PHE C C 15 177.821 176.650 1.171 1
1 99 . 17 1 1 A 15 15 PHE CA C 15 59.132 60.575 -1.443 1
1 100 . 17 1 1 A 15 15 PHE CB C 15 38.239 38.441 -0.202 1
1 106 . 17 1 1 A 15 15 PHE N N 15 116.867 119.372 -2.505 1
1 107 . 17 1 1 A 16 16 LEU H H 16 8.264 8.316 -0.052 1
1 108 . 17 1 1 A 16 16 LEU HA H 16 3.642 3.749 -0.107 1
1 118 . 17 1 1 A 16 16 LEU C C 16 180.354 179.898 0.456 1
1 119 . 17 1 1 A 16 16 LEU CA C 16 58.236 57.771 0.465 1
1 120 . 17 1 1 A 16 16 LEU CB C 16 41.365 41.032 0.333 1
1 124 . 17 1 1 A 16 16 LEU N N 16 120.647 119.629 1.018 1
1 125 . 17 1 1 A 17 17 LEU H H 17 7.977 7.810 0.167 1
1 126 . 17 1 1 A 17 17 LEU HA H 17 4.065 4.024 0.041 1
1 136 . 17 1 1 A 17 17 LEU C C 17 178.984 179.341 -0.357 1
1 137 . 17 1 1 A 17 17 LEU CA C 17 58.165 57.915 0.250 1
1 138 . 17 1 1 A 17 17 LEU CB C 17 41.693 42.187 -0.494 1
1 142 . 17 1 1 A 17 17 LEU N N 17 121.855 119.832 2.023 1
1 143 . 17 1 1 A 18 18 PHE H H 18 8.136 7.730 0.406 1
1 144 . 17 1 1 A 18 18 PHE HA H 18 3.769 3.970 -0.201 1
1 150 . 17 1 1 A 18 18 PHE C C 18 179.020 177.963 1.057 1
1 151 . 17 1 1 A 18 18 PHE CA C 18 62.333 61.664 0.669 1
1 152 . 17 1 1 A 18 18 PHE CB C 18 39.122 38.888 0.234 1
1 156 . 17 1 1 A 18 18 PHE N N 18 122.907 118.235 4.672 1
1 157 . 17 1 1 A 19 19 CYS H H 19 8.520 8.071 0.449 1
1 158 . 17 1 1 A 19 19 CYS HA H 19 3.728 4.000 -0.272 1
1 161 . 17 1 1 A 19 19 CYS C C 19 176.136 177.049 -0.913 1
1 162 . 17 1 1 A 19 19 CYS CA C 19 64.313 63.597 0.716 1
1 163 . 17 1 1 A 19 19 CYS CB C 19 26.577 26.896 -0.319 1
1 164 . 17 1 1 A 19 19 CYS N N 19 119.069 116.478 2.591 1
1 165 . 17 1 1 A 20 20 LYS H H 20 7.969 7.796 0.173 1
1 166 . 17 1 1 A 20 20 LYS HA H 20 3.953 4.114 -0.161 1
1 175 . 17 1 1 A 20 20 LYS C C 20 179.133 177.344 1.789 1
1 176 . 17 1 1 A 20 20 LYS CA C 20 59.295 58.322 0.973 1
1 177 . 17 1 1 A 20 20 LYS CB C 20 32.111 32.028 0.083 1
1 181 . 17 1 1 A 20 20 LYS N N 20 119.888 120.368 -0.480 1
1 182 . 17 1 1 A 21 21 ARG H H 21 7.493 7.862 -0.369 1
1 183 . 17 1 1 A 21 21 ARG HA H 21 4.166 4.349 -0.183 1
1 190 . 17 1 1 A 21 21 ARG C C 21 177.239 177.902 -0.663 1
1 191 . 17 1 1 A 21 21 ARG CA C 21 57.575 58.038 -0.463 1
1 192 . 17 1 1 A 21 21 ARG CB C 21 30.137 31.263 -1.126 1
1 195 . 17 1 1 A 21 21 ARG N N 21 116.105 118.388 -2.283 1
1 196 . 17 1 1 A 22 22 HIS H H 22 7.354 8.507 -1.153 1
1 197 . 17 1 1 A 22 22 HIS HA H 22 4.706 4.401 0.305 1
1 201 . 17 1 1 A 22 22 HIS C C 22 175.627 177.043 -1.416 1
1 202 . 17 1 1 A 22 22 HIS CA C 22 58.593 59.718 -1.125 1
1 203 . 17 1 1 A 22 22 HIS CB C 22 30.754 28.492 2.262 1
1 205 . 17 1 1 A 22 22 HIS N N 22 113.808 118.065 -4.257 1
1 206 . 17 1 1 A 23 23 ARG H H 23 8.372 8.128 0.244 1
1 207 . 17 1 1 A 23 23 ARG HA H 23 3.793 3.774 0.019 1
1 214 . 17 1 1 A 23 23 ARG C C 23 177.930 178.078 -0.148 1
1 215 . 17 1 1 A 23 23 ARG CA C 23 60.747 59.639 1.108 1
1 216 . 17 1 1 A 23 23 ARG CB C 23 29.251 30.366 -1.115 1
1 219 . 17 1 1 A 23 23 ARG N N 23 123.560 120.953 2.607 1
1 220 . 17 1 1 A 24 24 SER HA H 24 4.163 4.169 -0.006 1
1 223 . 17 1 1 A 24 24 SER CA C 24 61.523 61.431 0.092 1
1 224 . 17 1 1 A 24 24 SER CB C 24 62.116 62.365 -0.249 1
1 225 . 17 1 1 A 25 25 LEU H H 25 7.504 8.212 -0.708 1
1 226 . 17 1 1 A 25 25 LEU HA H 25 4.265 4.018 0.247 1
1 236 . 17 1 1 A 25 25 LEU C C 25 179.336 178.830 0.506 1
1 237 . 17 1 1 A 25 25 LEU CA C 25 57.837 58.221 -0.384 1
1 238 . 17 1 1 A 25 25 LEU CB C 25 41.470 42.217 -0.747 1
1 242 . 17 1 1 A 25 25 LEU N N 25 124.174 122.746 1.428 1
1 243 . 17 1 1 A 26 26 VAL H H 26 7.802 8.046 -0.244 1
1 244 . 17 1 1 A 26 26 VAL HA H 26 3.833 3.530 0.303 1
1 252 . 17 1 1 A 26 26 VAL C C 26 177.712 178.010 -0.298 1
1 253 . 17 1 1 A 26 26 VAL CA C 26 66.662 67.081 -0.419 1
1 254 . 17 1 1 A 26 26 VAL CB C 26 31.670 31.242 0.428 1
1 257 . 17 1 1 A 26 26 VAL N N 26 119.266 118.045 1.221 1
1 258 . 17 1 1 A 27 27 ARG H H 27 7.922 8.543 -0.621 1
1 259 . 17 1 1 A 27 27 ARG HA H 27 4.043 3.992 0.051 1
1 266 . 17 1 1 A 27 27 ARG C C 27 177.785 178.939 -1.154 1
1 267 . 17 1 1 A 27 27 ARG CA C 27 58.683 60.125 -1.442 1
1 268 . 17 1 1 A 27 27 ARG CB C 27 29.720 29.940 -0.220 1
1 271 . 17 1 1 A 27 27 ARG N N 27 118.035 119.129 -1.094 1
1 272 . 17 1 1 A 28 28 GLN H H 28 7.707 8.937 -1.230 1
1 273 . 17 1 1 A 28 28 GLN HA H 28 4.092 4.085 0.007 1
1 280 . 17 1 1 A 28 28 GLN C C 28 177.785 178.811 -1.026 1
1 281 . 17 1 1 A 28 28 GLN CA C 28 58.233 58.758 -0.525 1
1 282 . 17 1 1 A 28 28 GLN CB C 28 29.191 28.459 0.732 1
1 284 . 17 1 1 A 28 28 GLN N N 28 116.893 118.689 -1.796 1
1 286 . 17 1 1 A 29 29 GLU H H 29 7.864 8.764 -0.900 1
1 287 . 17 1 1 A 29 29 GLU HA H 29 4.131 4.006 0.125 1
1 292 . 17 1 1 A 29 29 GLU C C 29 176.246 176.158 0.088 1
1 293 . 17 1 1 A 29 29 GLU CA C 29 57.808 58.937 -1.129 1
1 294 . 17 1 1 A 29 29 GLU CB C 29 31.004 29.699 1.305 1
1 296 . 17 1 1 A 29 29 GLU N N 29 116.949 118.796 -1.847 1
1 297 . 17 1 1 A 30 30 HIS H H 30 8.058 8.541 -0.483 1
1 298 . 17 1 1 A 30 30 HIS HA H 30 5.071 5.107 -0.036 1
1 303 . 17 1 1 A 30 30 HIS C C 30 173.519 173.966 -0.447 1
1 304 . 17 1 1 A 30 30 HIS CA C 30 53.347 53.249 0.098 1
1 305 . 17 1 1 A 30 30 HIS CB C 30 30.649 29.770 0.879 1
1 308 . 17 1 1 A 30 30 HIS N N 30 116.711 117.198 -0.487 1
1 309 . 17 1 1 A 31 31 PRO HA H 31 4.648 4.476 0.172 1
1 316 . 17 1 1 A 31 31 PRO C C 31 178.197 178.581 -0.384 1
1 317 . 17 1 1 A 31 31 PRO CA C 31 64.911 64.866 0.045 1
1 318 . 17 1 1 A 31 31 PRO CB C 31 32.458 32.110 0.348 1
1 321 . 17 1 1 A 32 32 ARG H H 32 8.617 8.756 -0.139 1
1 322 . 17 1 1 A 32 32 ARG HA H 32 4.406 4.100 0.306 1
1 329 . 17 1 1 A 32 32 ARG C C 32 176.815 177.433 -0.618 1
1 330 . 17 1 1 A 32 32 ARG CA C 32 55.959 58.434 -2.475 1
1 331 . 17 1 1 A 32 32 ARG CB C 32 29.808 30.270 -0.462 1
1 334 . 17 1 1 A 32 32 ARG N N 32 116.125 117.712 -1.587 1
1 335 . 17 1 1 A 33 33 LEU H H 33 7.421 7.549 -0.128 1
1 336 . 17 1 1 A 33 33 LEU HA H 33 4.409 4.224 0.185 1
1 346 . 17 1 1 A 33 33 LEU C C 33 177.349 176.264 1.085 1
1 347 . 17 1 1 A 33 33 LEU CA C 33 55.140 55.247 -0.107 1
1 348 . 17 1 1 A 33 33 LEU CB C 33 43.420 42.306 1.114 1
1 352 . 17 1 1 A 33 33 LEU N N 33 120.576 120.591 -0.015 1
1 353 . 17 1 1 A 34 34 ASP H H 34 8.168 9.040 -0.872 1
1 354 . 17 1 1 A 34 34 ASP HA H 34 4.646 4.655 -0.009 1
1 357 . 17 1 1 A 34 34 ASP C C 34 175.821 176.613 -0.792 1
1 358 . 17 1 1 A 34 34 ASP CA C 34 52.415 55.663 -3.248 1
1 359 . 17 1 1 A 34 34 ASP CB C 34 41.177 40.812 0.365 1
1 360 . 17 1 1 A 34 34 ASP N N 34 122.502 122.534 -0.032 1
1 361 . 17 1 1 A 35 35 ASN HA H 35 4.395 5.003 -0.608 1
1 366 . 17 1 1 A 35 35 ASN CA C 35 57.033 54.765 2.268 1
1 367 . 17 1 1 A 35 35 ASN CB C 35 38.344 39.868 -1.524 1
1 369 . 17 1 1 A 36 36 ARG HA H 36 4.096 3.909 0.187 1
1 376 . 17 1 1 A 36 36 ARG C C 36 179.554 178.898 0.656 1
1 377 . 17 1 1 A 36 36 ARG CA C 36 59.527 59.883 -0.356 1
1 378 . 17 1 1 A 36 36 ARG CB C 36 29.626 29.991 -0.365 1
1 381 . 17 1 1 A 37 37 GLY H H 37 8.618 8.238 0.380 1
1 382 . 17 1 1 A 37 37 GLY HA2 H 37 3.888 3.730 0.158 1
1 383 . 17 1 1 A 37 37 GLY HA3 H 37 3.754 3.731 0.023 1
1 384 . 17 1 1 A 37 37 GLY C C 37 176.597 175.864 0.733 1
1 385 . 17 1 1 A 37 37 GLY CA C 37 47.048 47.294 -0.246 1
1 386 . 17 1 1 A 37 37 GLY N N 37 110.017 106.842 3.175 1
1 387 . 17 1 1 A 38 38 ALA H H 38 8.619 7.949 0.670 1
1 388 . 17 1 1 A 38 38 ALA HA H 38 3.945 3.866 0.079 1
1 392 . 17 1 1 A 38 38 ALA C C 38 178.924 179.430 -0.506 1
1 393 . 17 1 1 A 38 38 ALA CA C 38 55.123 54.536 0.587 1
1 394 . 17 1 1 A 38 38 ALA CB C 38 18.046 18.563 -0.517 1
1 395 . 17 1 1 A 38 38 ALA N N 38 124.889 124.299 0.590 1
1 396 . 17 1 1 A 39 39 THR H H 39 8.239 8.328 -0.089 1
1 397 . 17 1 1 A 39 39 THR HA H 39 3.895 3.872 0.023 1
1 402 . 17 1 1 A 39 39 THR C C 39 175.252 176.731 -1.479 1
1 403 . 17 1 1 A 39 39 THR CA C 39 66.889 66.589 0.300 1
1 404 . 17 1 1 A 39 39 THR CB C 39 68.607 68.282 0.325 1
1 406 . 17 1 1 A 39 39 THR N N 39 114.810 114.204 0.606 1
1 407 . 17 1 1 A 40 40 LYS H H 40 7.518 7.671 -0.153 1
1 408 . 17 1 1 A 40 40 LYS HA H 40 4.098 3.996 0.102 1
1 417 . 17 1 1 A 40 40 LYS C C 40 178.330 179.472 -1.142 1
1 418 . 17 1 1 A 40 40 LYS CA C 40 59.746 59.648 0.098 1
1 419 . 17 1 1 A 40 40 LYS CB C 40 32.106 31.850 0.256 1
1 423 . 17 1 1 A 40 40 LYS N N 40 122.046 119.392 2.654 1
1 424 . 17 1 1 A 41 41 ILE H H 41 7.218 7.628 -0.410 1
1 425 . 17 1 1 A 41 41 ILE HA H 41 3.722 3.595 0.127 1
1 435 . 17 1 1 A 41 41 ILE C C 41 178.197 178.033 0.164 1
1 436 . 17 1 1 A 41 41 ILE CA C 41 64.055 65.377 -1.322 1
1 437 . 17 1 1 A 41 41 ILE CB C 41 36.482 37.706 -1.224 1
1 441 . 17 1 1 A 41 41 ILE N N 41 119.019 121.696 -2.677 1
1 442 . 17 1 1 A 42 42 LEU H H 42 7.940 8.201 -0.261 1
1 443 . 17 1 1 A 42 42 LEU HA H 42 3.988 3.710 0.278 1
1 453 . 17 1 1 A 42 42 LEU C C 42 179.251 179.109 0.142 1
1 454 . 17 1 1 A 42 42 LEU CA C 42 58.605 57.709 0.896 1
1 455 . 17 1 1 A 42 42 LEU CB C 42 41.694 41.061 0.633 1
1 459 . 17 1 1 A 42 42 LEU N N 42 119.163 119.007 0.156 1
1 460 . 17 1 1 A 43 43 ALA H H 43 8.732 8.293 0.439 1
1 461 . 17 1 1 A 43 43 ALA HA H 43 4.222 4.395 -0.173 1
1 465 . 17 1 1 A 43 43 ALA C C 43 180.899 179.495 1.404 1
1 466 . 17 1 1 A 43 43 ALA CA C 43 55.699 55.719 -0.020 1
1 467 . 17 1 1 A 43 43 ALA CB C 43 17.859 18.740 -0.881 1
1 468 . 17 1 1 A 43 43 ALA N N 43 122.225 121.730 0.495 1
1 469 . 17 1 1 A 44 44 ASP H H 44 8.350 8.155 0.195 1
1 470 . 17 1 1 A 44 44 ASP HA H 44 4.545 4.422 0.123 1
1 473 . 17 1 1 A 44 44 ASP C C 44 179.227 178.634 0.593 1
1 474 . 17 1 1 A 44 44 ASP CA C 44 57.507 57.415 0.092 1
1 475 . 17 1 1 A 44 44 ASP CB C 44 39.719 41.024 -1.305 1
1 476 . 17 1 1 A 44 44 ASP N N 44 122.950 118.158 4.792 1
1 477 . 17 1 1 A 45 45 TRP H H 45 8.831 8.535 0.296 1
1 478 . 17 1 1 A 45 45 TRP HA H 45 4.692 4.398 0.294 1
1 487 . 17 1 1 A 45 45 TRP C C 45 179.057 178.902 0.155 1
1 488 . 17 1 1 A 45 45 TRP CA C 45 58.008 59.962 -1.954 1
1 489 . 17 1 1 A 45 45 TRP CB C 45 29.520 29.662 -0.142 1
1 495 . 17 1 1 A 45 45 TRP N N 45 122.321 120.112 2.209 1
1 497 . 17 1 1 A 46 46 TRP H H 46 8.921 8.224 0.697 1
1 498 . 17 1 1 A 46 46 TRP HA H 46 3.733 3.345 0.388 1
1 507 . 17 1 1 A 46 46 TRP C C 46 177.664 178.087 -0.423 1
1 508 . 17 1 1 A 46 46 TRP CA C 46 59.279 60.448 -1.169 1
1 509 . 17 1 1 A 46 46 TRP CB C 46 30.508 29.311 1.197 1
1 515 . 17 1 1 A 46 46 TRP N N 46 120.243 121.365 -1.122 1
1 517 . 17 1 1 A 47 47 ALA H H 47 7.918 9.398 -1.480 1
1 518 . 17 1 1 A 47 47 ALA HA H 47 3.918 4.094 -0.176 1
1 522 . 17 1 1 A 47 47 ALA C C 47 179.978 178.022 1.956 1
1 523 . 17 1 1 A 47 47 ALA CA C 47 55.011 54.855 0.156 1
1 524 . 17 1 1 A 47 47 ALA CB C 47 18.581 18.587 -0.006 1
1 525 . 17 1 1 A 47 47 ALA N N 47 117.935 120.974 -3.039 1
1 526 . 17 1 1 A 48 48 VAL H H 48 7.106 7.784 -0.678 1
1 527 . 17 1 1 A 48 48 VAL HA H 48 4.378 4.410 -0.032 1
1 535 . 17 1 1 A 48 48 VAL C C 48 175.627 174.572 1.055 1
1 536 . 17 1 1 A 48 48 VAL CA C 48 60.641 60.538 0.103 1
1 537 . 17 1 1 A 48 48 VAL CB C 48 31.865 31.546 0.319 1
1 540 . 17 1 1 A 48 48 VAL N N 48 107.757 107.850 -0.093 1
1 541 . 17 1 1 A 49 49 LEU H H 49 7.008 7.427 -0.419 1
1 542 . 17 1 1 A 49 49 LEU HA H 49 3.948 5.114 -1.166 1
1 552 . 17 1 1 A 49 49 LEU C C 49 176.258 174.008 2.250 1
1 553 . 17 1 1 A 49 49 LEU CA C 49 55.032 53.425 1.607 1
1 554 . 17 1 1 A 49 49 LEU CB C 49 42.822 46.272 -3.450 1
1 558 . 17 1 1 A 49 49 LEU N N 49 125.594 124.507 1.087 1
1 559 . 17 1 1 A 50 50 ASP H H 50 8.485 8.769 -0.284 1
1 560 . 17 1 1 A 50 50 ASP HA H 50 4.643 4.827 -0.184 1
1 563 . 17 1 1 A 50 50 ASP CA C 50 52.855 52.353 0.502 1
1 564 . 17 1 1 A 50 50 ASP CB C 50 42.605 41.461 1.144 1
1 565 . 17 1 1 A 51 51 PRO HA H 51 4.025 4.265 -0.240 1
1 572 . 17 1 1 A 51 51 PRO C C 51 179.166 178.942 0.224 1
1 573 . 17 1 1 A 51 51 PRO CA C 51 65.861 65.601 0.260 1
1 574 . 17 1 1 A 51 51 PRO CB C 51 32.458 31.573 0.885 1
1 577 . 17 1 1 A 52 52 LYS H H 52 8.866 8.296 0.570 1
1 578 . 17 1 1 A 52 52 LYS HA H 52 4.165 3.997 0.168 1
1 585 . 17 1 1 A 52 52 LYS C C 52 179.542 179.323 0.219 1
1 586 . 17 1 1 A 52 52 LYS CA C 52 59.484 59.805 -0.321 1
1 587 . 17 1 1 A 52 52 LYS CB C 52 31.906 32.304 -0.398 1
1 591 . 17 1 1 A 52 52 LYS N N 52 118.625 118.090 0.535 1
1 592 . 17 1 1 A 53 53 GLU H H 53 7.727 8.273 -0.546 1
1 593 . 17 1 1 A 53 53 GLU HA H 53 4.343 4.062 0.281 1
1 598 . 17 1 1 A 53 53 GLU C C 53 179.335 179.482 -0.147 1
1 599 . 17 1 1 A 53 53 GLU CA C 53 58.355 59.435 -1.080 1
1 600 . 17 1 1 A 53 53 GLU CB C 53 29.726 29.382 0.344 1
1 602 . 17 1 1 A 53 53 GLU N N 53 120.460 119.697 0.763 1
1 603 . 17 1 1 A 54 54 LYS H H 54 8.194 7.710 0.484 1
1 604 . 17 1 1 A 54 54 LYS HA H 54 3.949 4.421 -0.472 1
1 613 . 17 1 1 A 54 54 LYS C C 54 179.566 179.145 0.421 1
1 614 . 17 1 1 A 54 54 LYS CA C 54 60.920 59.771 1.149 1
1 615 . 17 1 1 A 54 54 LYS CB C 54 32.481 32.319 0.162 1
1 619 . 17 1 1 A 54 54 LYS N N 54 118.859 118.288 0.571 1
1 620 . 17 1 1 A 55 55 GLN H H 55 7.965 8.866 -0.901 1
1 621 . 17 1 1 A 55 55 GLN HA H 55 4.025 4.119 -0.094 1
1 628 . 17 1 1 A 55 55 GLN C C 55 177.154 178.478 -1.324 1
1 629 . 17 1 1 A 55 55 GLN CA C 55 58.064 58.932 -0.868 1
1 630 . 17 1 1 A 55 55 GLN CB C 55 28.163 28.623 -0.460 1
1 632 . 17 1 1 A 55 55 GLN N N 55 117.922 119.923 -2.001 1
1 634 . 17 1 1 A 56 56 LYS H H 56 7.483 8.181 -0.698 1
1 635 . 17 1 1 A 56 56 LYS HA H 56 4.205 4.117 0.088 1
1 644 . 17 1 1 A 56 56 LYS C C 56 179.772 178.139 1.633 1
1 645 . 17 1 1 A 56 56 LYS CA C 56 59.671 58.789 0.882 1
1 646 . 17 1 1 A 56 56 LYS CB C 56 31.700 31.720 -0.020 1
1 650 . 17 1 1 A 56 56 LYS N N 56 118.491 118.437 0.054 1
1 651 . 17 1 1 A 57 57 TYR H H 57 7.707 7.842 -0.135 1
1 652 . 17 1 1 A 57 57 TYR HA H 57 4.344 4.532 -0.188 1
1 659 . 17 1 1 A 57 57 TYR C C 57 177.966 178.789 -0.823 1
1 660 . 17 1 1 A 57 57 TYR CA C 57 62.784 61.038 1.746 1
1 661 . 17 1 1 A 57 57 TYR CB C 57 38.973 39.003 -0.030 1
1 666 . 17 1 1 A 57 57 TYR N N 57 117.968 119.273 -1.305 1
1 667 . 17 1 1 A 58 58 THR H H 58 8.458 9.229 -0.771 1
1 668 . 17 1 1 A 58 58 THR HA H 58 4.074 4.160 -0.086 1
1 673 . 17 1 1 A 58 58 THR C C 58 177.203 176.317 0.886 1
1 674 . 17 1 1 A 58 58 THR CA C 58 67.168 66.323 0.845 1
1 675 . 17 1 1 A 58 58 THR CB C 58 68.401 68.774 -0.373 1
1 677 . 17 1 1 A 58 58 THR N N 58 118.700 115.724 2.976 1
1 678 . 17 1 1 A 59 59 ASP H H 59 8.807 8.279 0.528 1
1 679 . 17 1 1 A 59 59 ASP HA H 59 4.514 4.385 0.129 1
1 682 . 17 1 1 A 59 59 ASP C C 59 179.154 178.426 0.728 1
1 683 . 17 1 1 A 59 59 ASP CA C 59 57.754 57.338 0.416 1
1 684 . 17 1 1 A 59 59 ASP CB C 59 39.801 41.081 -1.280 1
1 685 . 17 1 1 A 59 59 ASP N N 59 123.812 121.076 2.736 1
1 686 . 17 1 1 A 60 60 MET H H 60 8.085 7.880 0.205 1
1 687 . 17 1 1 A 60 60 MET HA H 60 4.161 4.044 0.117 1
1 695 . 17 1 1 A 60 60 MET C C 60 178.378 178.751 -0.373 1
1 696 . 17 1 1 A 60 60 MET CA C 60 58.980 59.130 -0.150 1
1 697 . 17 1 1 A 60 60 MET CB C 60 34.227 32.229 1.998 1
1 700 . 17 1 1 A 60 60 MET N N 60 120.481 118.130 2.351 1
1 701 . 17 1 1 A 61 61 ALA H H 61 8.296 8.180 0.116 1
1 702 . 17 1 1 A 61 61 ALA HA H 61 4.114 4.349 -0.235 1
1 706 . 17 1 1 A 61 61 ALA C C 61 179.408 179.556 -0.148 1
1 707 . 17 1 1 A 61 61 ALA CA C 61 54.935 55.265 -0.330 1
1 708 . 17 1 1 A 61 61 ALA CB C 61 17.759 18.403 -0.644 1
1 709 . 17 1 1 A 61 61 ALA N N 61 121.147 121.536 -0.389 1
1 710 . 17 1 1 A 62 62 LYS H H 62 7.812 8.163 -0.351 1
1 711 . 17 1 1 A 62 62 LYS HA H 62 4.177 4.065 0.112 1
1 720 . 17 1 1 A 62 62 LYS C C 62 177.979 178.756 -0.777 1
1 721 . 17 1 1 A 62 62 LYS CA C 62 59.289 59.305 -0.016 1
1 722 . 17 1 1 A 62 62 LYS CB C 62 32.539 32.217 0.322 1
1 726 . 17 1 1 A 62 62 LYS N N 62 119.686 118.086 1.600 1
1 727 . 17 1 1 A 63 63 GLU H H 63 7.810 8.584 -0.774 1
1 728 . 17 1 1 A 63 63 GLU HA H 63 4.216 4.072 0.144 1
1 733 . 17 1 1 A 63 63 GLU C C 63 178.597 178.882 -0.285 1
1 734 . 17 1 1 A 63 63 GLU CA C 63 58.386 58.854 -0.468 1
1 735 . 17 1 1 A 63 63 GLU CB C 63 29.644 29.682 -0.038 1
1 737 . 17 1 1 A 63 63 GLU N N 63 118.765 119.216 -0.451 1
1 738 . 17 1 1 A 64 64 TYR H H 64 8.098 8.259 -0.161 1
1 739 . 17 1 1 A 64 64 TYR HA H 64 4.395 4.297 0.098 1
1 746 . 17 1 1 A 64 64 TYR C C 64 177.639 178.162 -0.523 1
1 747 . 17 1 1 A 64 64 TYR CA C 64 60.006 61.496 -1.490 1
1 748 . 17 1 1 A 64 64 TYR CB C 64 38.198 38.036 0.162 1
1 753 . 17 1 1 A 64 64 TYR N N 64 119.914 119.913 0.001 1
1 754 . 17 1 1 A 65 65 LYS H H 65 8.225 8.837 -0.612 1
1 755 . 17 1 1 A 65 65 LYS HA H 65 4.146 4.044 0.102 1
1 764 . 17 1 1 A 65 65 LYS C C 65 177.481 178.191 -0.710 1
1 765 . 17 1 1 A 65 65 LYS CA C 65 58.793 59.851 -1.058 1
1 766 . 17 1 1 A 65 65 LYS CB C 65 32.523 32.689 -0.166 1
1 770 . 17 1 1 A 65 65 LYS N N 65 122.842 120.987 1.855 1
1 771 . 17 1 1 A 66 66 ASP H H 66 8.402 7.756 0.646 1
1 772 . 17 1 1 A 66 66 ASP HA H 66 4.485 4.425 0.060 1
1 775 . 17 1 1 A 66 66 ASP C C 66 177.930 178.411 -0.481 1
1 776 . 17 1 1 A 66 66 ASP CA C 66 56.423 57.862 -1.439 1
1 777 . 17 1 1 A 66 66 ASP CB C 66 40.829 41.191 -0.362 1
1 778 . 17 1 1 A 66 66 ASP N N 66 120.424 119.462 0.962 1
1 779 . 17 1 1 A 67 67 ALA H H 67 7.989 7.485 0.504 1
1 780 . 17 1 1 A 67 67 ALA HA H 67 4.151 4.142 0.009 1
1 784 . 17 1 1 A 67 67 ALA C C 67 179.457 179.562 -0.105 1
1 785 . 17 1 1 A 67 67 ALA CA C 67 54.274 55.177 -0.903 1
1 786 . 17 1 1 A 67 67 ALA CB C 67 18.499 18.944 -0.445 1
1 787 . 17 1 1 A 67 67 ALA N N 67 122.273 121.825 0.448 1
1 788 . 17 1 1 A 68 68 PHE H H 68 8.235 8.759 -0.524 1
1 789 . 17 1 1 A 68 68 PHE HA H 68 4.314 4.081 0.233 1
1 796 . 17 1 1 A 68 68 PHE C C 68 177.421 175.504 1.917 1
1 797 . 17 1 1 A 68 68 PHE CA C 68 60.193 61.488 -1.295 1
1 798 . 17 1 1 A 68 68 PHE CB C 68 39.390 39.078 0.312 1
1 803 . 17 1 1 A 68 68 PHE N N 68 119.632 119.112 0.520 1
1 804 . 17 1 1 A 69 69 MET H H 69 8.325 8.756 -0.431 1
1 805 . 17 1 1 A 69 69 MET HA H 69 4.296 4.376 -0.080 1
1 813 . 17 1 1 A 69 69 MET C C 69 177.651 176.719 0.932 1
1 814 . 17 1 1 A 69 69 MET CA C 69 56.645 54.705 1.940 1
1 815 . 17 1 1 A 69 69 MET CB C 69 32.108 33.725 -1.617 1
1 818 . 17 1 1 A 69 69 MET N N 69 119.223 115.892 3.331 1
1 819 . 17 1 1 A 70 70 LYS H H 70 7.864 8.736 -0.872 1
1 820 . 17 1 1 A 70 70 LYS HA H 70 4.092 4.584 -0.492 1
1 829 . 17 1 1 A 70 70 LYS C C 70 177.009 176.261 0.748 1
1 830 . 17 1 1 A 70 70 LYS CA C 70 57.769 58.171 -0.402 1
1 831 . 17 1 1 A 70 70 LYS CB C 70 32.687 32.441 0.246 1
1 835 . 17 1 1 A 70 70 LYS N N 70 120.004 120.975 -0.971 1
1 836 . 17 1 1 A 71 71 ALA H H 71 7.670 7.999 -0.329 1
1 837 . 17 1 1 A 71 71 ALA HA H 71 4.264 4.394 -0.130 1
1 841 . 17 1 1 A 71 71 ALA C C 71 177.009 175.540 1.469 1
1 842 . 17 1 1 A 71 71 ALA CA C 71 52.603 51.867 0.736 1
1 843 . 17 1 1 A 71 71 ALA CB C 71 19.321 18.239 1.082 1
1 844 . 17 1 1 A 71 71 ALA N N 71 121.270 121.007 0.263 1
1 845 . 17 1 1 A 72 72 ASN H H 72 7.846 7.720 0.126 1
1 846 . 17 1 1 A 72 72 ASN HA H 72 4.972 5.093 -0.121 1
1 851 . 17 1 1 A 72 72 ASN C C 72 172.453 173.055 -0.602 1
1 852 . 17 1 1 A 72 72 ASN CA C 72 51.185 49.995 1.190 1
1 853 . 17 1 1 A 72 72 ASN CB C 72 39.350 41.855 -2.505 1
1 854 . 17 1 1 A 72 72 ASN N N 72 117.432 115.364 2.068 1
1 856 . 17 1 1 A 73 73 PRO HA H 73 4.465 4.522 -0.057 1
1 863 . 17 1 1 A 73 73 PRO C C 73 177.857 177.285 0.572 1
1 864 . 17 1 1 A 73 73 PRO CA C 73 63.972 62.960 1.012 1
1 865 . 17 1 1 A 73 73 PRO CB C 73 31.884 32.613 -0.729 1
1 868 . 17 1 1 A 74 74 GLY H H 74 8.538 9.058 -0.520 1
1 869 . 17 1 1 A 74 74 GLY HA2 H 74 3.881 3.892 -0.011 1
1 870 . 17 1 1 A 74 74 GLY HA3 H 74 3.957 3.897 0.060 1
1 871 . 17 1 1 A 74 74 GLY C C 74 174.210 173.329 0.881 1
1 872 . 17 1 1 A 74 74 GLY CA C 74 45.216 47.058 -1.842 1
1 873 . 17 1 1 A 74 74 GLY N N 74 108.444 111.029 -2.585 1
1 874 . 17 1 1 A 75 75 TYR H H 75 7.878 7.701 0.177 1
1 875 . 17 1 1 A 75 75 TYR HA H 75 4.449 4.879 -0.430 1
1 882 . 17 1 1 A 75 75 TYR C C 75 175.640 174.126 1.514 1
1 883 . 17 1 1 A 75 75 TYR CA C 75 58.778 58.291 0.487 1
1 884 . 17 1 1 A 75 75 TYR CB C 75 38.856 41.258 -2.402 1
1 889 . 17 1 1 A 75 75 TYR N N 75 120.970 118.953 2.017 1
1 890 . 17 1 1 A 76 76 ARG H H 76 8.039 8.487 -0.448 1
1 891 . 17 1 1 A 76 76 ARG HA H 76 4.346 4.201 0.145 1
1 898 . 17 1 1 A 76 76 ARG C C 76 175.482 175.156 0.326 1
1 899 . 17 1 1 A 76 76 ARG CA C 76 55.510 56.298 -0.788 1
1 900 . 17 1 1 A 76 76 ARG CB C 76 31.307 32.875 -1.568 1
1 903 . 17 1 1 A 76 76 ARG N N 76 124.540 124.254 0.286 1
1 904 . 17 1 1 A 77 77 SER HA H 77 4.430 4.731 -0.301 1
1 907 . 17 1 1 A 77 77 SER CA C 77 58.319 59.318 -0.999 1
1 908 . 17 1 1 A 77 77 SER CB C 77 63.982 64.993 -1.011 1
1 909 . 17 1 1 A 78 78 GLY HA2 H 78 4.154 4.172 -0.018 1
1 910 . 17 1 1 A 78 78 GLY HA3 H 78 4.154 4.183 -0.029 1
1 911 . 17 1 1 A 78 78 GLY CA C 78 44.731 44.902 -0.171 1
1 912 . 17 1 1 A 79 79 PRO HA H 79 4.495 4.721 -0.226 1
1 917 . 17 1 1 A 79 79 PRO CA C 79 63.366 62.654 0.712 1
1 918 . 17 1 1 A 79 79 PRO CB C 79 32.289 33.082 -0.793 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.967 3.917 0.050 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.967 3.922 0.045 1
1 3 . 18 1 1 A 7 7 GLY C C 7 173.907 174.295 -0.388 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.273 47.005 -1.732 1
1 5 . 18 1 1 A 8 8 ALA H H 8 8.092 7.841 0.251 1
1 6 . 18 1 1 A 8 8 ALA HA H 8 4.335 4.119 0.216 1
1 10 . 18 1 1 A 8 8 ALA C C 8 177.772 176.556 1.216 1
1 11 . 18 1 1 A 8 8 ALA CA C 8 52.468 52.852 -0.384 1
1 12 . 18 1 1 A 8 8 ALA CB C 8 19.404 17.787 1.617 1
1 13 . 18 1 1 A 8 8 ALA N N 8 123.589 120.264 3.325 1
1 14 . 18 1 1 A 9 9 ARG H H 9 8.298 8.555 -0.257 1
1 15 . 18 1 1 A 9 9 ARG HA H 9 4.348 4.191 0.157 1
1 22 . 18 1 1 A 9 9 ARG C C 9 175.894 174.765 1.129 1
1 23 . 18 1 1 A 9 9 ARG CA C 9 55.999 56.988 -0.989 1
1 24 . 18 1 1 A 9 9 ARG CB C 9 30.813 29.092 1.721 1
1 27 . 18 1 1 A 9 9 ARG N N 9 120.366 115.445 4.921 1
1 28 . 18 1 1 A 10 10 ARG H H 10 8.212 8.032 0.180 1
1 29 . 18 1 1 A 10 10 ARG HA H 10 4.468 4.253 0.215 1
1 36 . 18 1 1 A 10 10 ARG C C 10 173.810 173.539 0.271 1
1 37 . 18 1 1 A 10 10 ARG CA C 10 53.783 53.937 -0.154 1
1 38 . 18 1 1 A 10 10 ARG CB C 10 30.384 33.188 -2.804 1
1 41 . 18 1 1 A 10 10 ARG N N 10 122.690 121.445 1.245 1
1 42 . 18 1 1 A 11 11 PRO HA H 11 4.322 4.462 -0.140 1
1 49 . 18 1 1 A 11 11 PRO C C 11 176.427 175.724 0.703 1
1 50 . 18 1 1 A 11 11 PRO CA C 11 62.905 62.146 0.759 1
1 51 . 18 1 1 A 11 11 PRO CB C 11 31.929 33.115 -1.186 1
1 54 . 18 1 1 A 12 12 MET H H 12 8.237 8.355 -0.118 1
1 55 . 18 1 1 A 12 12 MET HA H 12 4.441 5.191 -0.750 1
1 63 . 18 1 1 A 12 12 MET C C 12 175.094 174.775 0.319 1
1 64 . 18 1 1 A 12 12 MET CA C 12 55.400 53.468 1.932 1
1 65 . 18 1 1 A 12 12 MET CB C 12 33.327 35.161 -1.834 1
1 68 . 18 1 1 A 12 12 MET N N 12 120.543 116.734 3.809 1
1 69 . 18 1 1 A 13 13 ASN H H 13 7.399 8.792 -1.393 1
1 70 . 18 1 1 A 13 13 ASN HA H 13 4.650 4.991 -0.341 1
1 75 . 18 1 1 A 13 13 ASN C C 13 174.743 176.900 -2.157 1
1 76 . 18 1 1 A 13 13 ASN CA C 13 52.456 52.671 -0.215 1
1 77 . 18 1 1 A 13 13 ASN CB C 13 39.513 39.756 -0.243 1
1 78 . 18 1 1 A 13 13 ASN N N 13 118.399 121.419 -3.020 1
1 80 . 18 1 1 A 14 14 ALA H H 14 8.681 8.838 -0.157 1
1 81 . 18 1 1 A 14 14 ALA HA H 14 3.964 4.187 -0.223 1
1 85 . 18 1 1 A 14 14 ALA C C 14 177.736 179.156 -1.420 1
1 86 . 18 1 1 A 14 14 ALA CA C 14 56.221 55.058 1.163 1
1 87 . 18 1 1 A 14 14 ALA CB C 14 19.568 18.476 1.092 1
1 88 . 18 1 1 A 14 14 ALA N N 14 122.169 122.865 -0.696 1
1 89 . 18 1 1 A 15 15 PHE H H 15 8.002 8.007 -0.005 1
1 90 . 18 1 1 A 15 15 PHE HA H 15 2.866 2.317 0.549 1
1 98 . 18 1 1 A 15 15 PHE C C 15 177.821 176.388 1.433 1
1 99 . 18 1 1 A 15 15 PHE CA C 15 59.132 60.394 -1.262 1
1 100 . 18 1 1 A 15 15 PHE CB C 15 38.239 38.394 -0.155 1
1 106 . 18 1 1 A 15 15 PHE N N 15 116.867 118.571 -1.704 1
1 107 . 18 1 1 A 16 16 LEU H H 16 8.264 8.178 0.086 1
1 108 . 18 1 1 A 16 16 LEU HA H 16 3.642 3.796 -0.154 1
1 118 . 18 1 1 A 16 16 LEU C C 16 180.354 180.022 0.332 1
1 119 . 18 1 1 A 16 16 LEU CA C 16 58.236 57.404 0.832 1
1 120 . 18 1 1 A 16 16 LEU CB C 16 41.365 41.488 -0.123 1
1 124 . 18 1 1 A 16 16 LEU N N 16 120.647 119.362 1.285 1
1 125 . 18 1 1 A 17 17 LEU H H 17 7.977 7.997 -0.020 1
1 126 . 18 1 1 A 17 17 LEU HA H 17 4.065 4.030 0.035 1
1 136 . 18 1 1 A 17 17 LEU C C 17 178.984 179.306 -0.322 1
1 137 . 18 1 1 A 17 17 LEU CA C 17 58.165 58.148 0.017 1
1 138 . 18 1 1 A 17 17 LEU CB C 17 41.693 42.184 -0.491 1
1 142 . 18 1 1 A 17 17 LEU N N 17 121.855 120.492 1.363 1
1 143 . 18 1 1 A 18 18 PHE H H 18 8.136 7.982 0.154 1
1 144 . 18 1 1 A 18 18 PHE HA H 18 3.769 4.410 -0.641 1
1 150 . 18 1 1 A 18 18 PHE C C 18 179.020 177.923 1.097 1
1 151 . 18 1 1 A 18 18 PHE CA C 18 62.333 61.888 0.445 1
1 152 . 18 1 1 A 18 18 PHE CB C 18 39.122 38.988 0.134 1
1 156 . 18 1 1 A 18 18 PHE N N 18 122.907 118.394 4.513 1
1 157 . 18 1 1 A 19 19 CYS H H 19 8.520 8.022 0.498 1
1 158 . 18 1 1 A 19 19 CYS HA H 19 3.728 4.094 -0.366 1
1 161 . 18 1 1 A 19 19 CYS C C 19 176.136 177.371 -1.235 1
1 162 . 18 1 1 A 19 19 CYS CA C 19 64.313 63.687 0.626 1
1 163 . 18 1 1 A 19 19 CYS CB C 19 26.577 27.170 -0.593 1
1 164 . 18 1 1 A 19 19 CYS N N 19 119.069 116.651 2.418 1
1 165 . 18 1 1 A 20 20 LYS H H 20 7.969 7.757 0.212 1
1 166 . 18 1 1 A 20 20 LYS HA H 20 3.953 4.040 -0.087 1
1 175 . 18 1 1 A 20 20 LYS C C 20 179.133 178.888 0.245 1
1 176 . 18 1 1 A 20 20 LYS CA C 20 59.295 59.431 -0.136 1
1 177 . 18 1 1 A 20 20 LYS CB C 20 32.111 31.991 0.120 1
1 181 . 18 1 1 A 20 20 LYS N N 20 119.888 120.269 -0.381 1
1 182 . 18 1 1 A 21 21 ARG H H 21 7.493 7.916 -0.423 1
1 183 . 18 1 1 A 21 21 ARG HA H 21 4.166 4.190 -0.024 1
1 190 . 18 1 1 A 21 21 ARG C C 21 177.239 178.471 -1.232 1
1 191 . 18 1 1 A 21 21 ARG CA C 21 57.575 58.944 -1.369 1
1 192 . 18 1 1 A 21 21 ARG CB C 21 30.137 30.895 -0.758 1
1 195 . 18 1 1 A 21 21 ARG N N 21 116.105 118.773 -2.668 1
1 196 . 18 1 1 A 22 22 HIS H H 22 7.354 8.988 -1.634 1
1 197 . 18 1 1 A 22 22 HIS HA H 22 4.706 4.439 0.267 1
1 201 . 18 1 1 A 22 22 HIS C C 22 175.627 177.220 -1.593 1
1 202 . 18 1 1 A 22 22 HIS CA C 22 58.593 59.861 -1.268 1
1 203 . 18 1 1 A 22 22 HIS CB C 22 30.754 28.537 2.217 1
1 205 . 18 1 1 A 22 22 HIS N N 22 113.808 118.524 -4.716 1
1 206 . 18 1 1 A 23 23 ARG H H 23 8.372 8.104 0.268 1
1 207 . 18 1 1 A 23 23 ARG HA H 23 3.793 3.845 -0.052 1
1 214 . 18 1 1 A 23 23 ARG C C 23 177.930 178.146 -0.216 1
1 215 . 18 1 1 A 23 23 ARG CA C 23 60.747 59.715 1.032 1
1 216 . 18 1 1 A 23 23 ARG CB C 23 29.251 30.291 -1.040 1
1 219 . 18 1 1 A 23 23 ARG N N 23 123.560 121.228 2.332 1
1 220 . 18 1 1 A 24 24 SER HA H 24 4.163 4.216 -0.053 1
1 223 . 18 1 1 A 24 24 SER CA C 24 61.523 61.398 0.125 1
1 224 . 18 1 1 A 24 24 SER CB C 24 62.116 62.423 -0.307 1
1 225 . 18 1 1 A 25 25 LEU H H 25 7.504 8.195 -0.691 1
1 226 . 18 1 1 A 25 25 LEU HA H 25 4.265 4.026 0.239 1
1 236 . 18 1 1 A 25 25 LEU C C 25 179.336 178.898 0.438 1
1 237 . 18 1 1 A 25 25 LEU CA C 25 57.837 58.125 -0.288 1
1 238 . 18 1 1 A 25 25 LEU CB C 25 41.470 41.971 -0.501 1
1 242 . 18 1 1 A 25 25 LEU N N 25 124.174 122.263 1.911 1
1 243 . 18 1 1 A 26 26 VAL H H 26 7.802 7.922 -0.120 1
1 244 . 18 1 1 A 26 26 VAL HA H 26 3.833 3.422 0.411 1
1 252 . 18 1 1 A 26 26 VAL C C 26 177.712 177.800 -0.088 1
1 253 . 18 1 1 A 26 26 VAL CA C 26 66.662 67.107 -0.445 1
1 254 . 18 1 1 A 26 26 VAL CB C 26 31.670 31.351 0.319 1
1 257 . 18 1 1 A 26 26 VAL N N 26 119.266 118.181 1.085 1
1 258 . 18 1 1 A 27 27 ARG H H 27 7.922 8.398 -0.476 1
1 259 . 18 1 1 A 27 27 ARG HA H 27 4.043 3.993 0.050 1
1 266 . 18 1 1 A 27 27 ARG C C 27 177.785 178.519 -0.734 1
1 267 . 18 1 1 A 27 27 ARG CA C 27 58.683 60.002 -1.319 1
1 268 . 18 1 1 A 27 27 ARG CB C 27 29.720 30.057 -0.337 1
1 271 . 18 1 1 A 27 27 ARG N N 27 118.035 119.191 -1.156 1
1 272 . 18 1 1 A 28 28 GLN H H 28 7.707 8.284 -0.577 1
1 273 . 18 1 1 A 28 28 GLN HA H 28 4.092 4.186 -0.094 1
1 280 . 18 1 1 A 28 28 GLN C C 28 177.785 178.369 -0.584 1
1 281 . 18 1 1 A 28 28 GLN CA C 28 58.233 58.471 -0.238 1
1 282 . 18 1 1 A 28 28 GLN CB C 28 29.191 28.994 0.197 1
1 284 . 18 1 1 A 28 28 GLN N N 28 116.893 118.503 -1.610 1
1 286 . 18 1 1 A 29 29 GLU H H 29 7.864 8.696 -0.832 1
1 287 . 18 1 1 A 29 29 GLU HA H 29 4.131 3.992 0.139 1
1 292 . 18 1 1 A 29 29 GLU C C 29 176.246 176.128 0.118 1
1 293 . 18 1 1 A 29 29 GLU CA C 29 57.808 58.882 -1.074 1
1 294 . 18 1 1 A 29 29 GLU CB C 29 31.004 29.414 1.590 1
1 296 . 18 1 1 A 29 29 GLU N N 29 116.949 118.878 -1.929 1
1 297 . 18 1 1 A 30 30 HIS H H 30 8.058 8.582 -0.524 1
1 298 . 18 1 1 A 30 30 HIS HA H 30 5.071 5.097 -0.026 1
1 303 . 18 1 1 A 30 30 HIS C C 30 173.519 173.981 -0.462 1
1 304 . 18 1 1 A 30 30 HIS CA C 30 53.347 53.088 0.259 1
1 305 . 18 1 1 A 30 30 HIS CB C 30 30.649 29.751 0.898 1
1 308 . 18 1 1 A 30 30 HIS N N 30 116.711 117.261 -0.550 1
1 309 . 18 1 1 A 31 31 PRO HA H 31 4.648 4.580 0.068 1
1 316 . 18 1 1 A 31 31 PRO C C 31 178.197 177.624 0.573 1
1 317 . 18 1 1 A 31 31 PRO CA C 31 64.911 64.328 0.583 1
1 318 . 18 1 1 A 31 31 PRO CB C 31 32.458 31.879 0.579 1
1 321 . 18 1 1 A 32 32 ARG H H 32 8.617 8.639 -0.022 1
1 322 . 18 1 1 A 32 32 ARG HA H 32 4.406 4.142 0.264 1
1 329 . 18 1 1 A 32 32 ARG C C 32 176.815 176.943 -0.128 1
1 330 . 18 1 1 A 32 32 ARG CA C 32 55.959 57.566 -1.607 1
1 331 . 18 1 1 A 32 32 ARG CB C 32 29.808 30.428 -0.620 1
1 334 . 18 1 1 A 32 32 ARG N N 32 116.125 117.343 -1.218 1
1 335 . 18 1 1 A 33 33 LEU H H 33 7.421 7.416 0.005 1
1 336 . 18 1 1 A 33 33 LEU HA H 33 4.409 4.411 -0.002 1
1 346 . 18 1 1 A 33 33 LEU C C 33 177.349 176.009 1.340 1
1 347 . 18 1 1 A 33 33 LEU CA C 33 55.140 54.281 0.859 1
1 348 . 18 1 1 A 33 33 LEU CB C 33 43.420 42.612 0.808 1
1 352 . 18 1 1 A 33 33 LEU N N 33 120.576 121.049 -0.473 1
1 353 . 18 1 1 A 34 34 ASP H H 34 8.168 9.114 -0.946 1
1 354 . 18 1 1 A 34 34 ASP HA H 34 4.646 4.686 -0.040 1
1 357 . 18 1 1 A 34 34 ASP C C 34 175.821 177.638 -1.817 1
1 358 . 18 1 1 A 34 34 ASP CA C 34 52.415 55.626 -3.211 1
1 359 . 18 1 1 A 34 34 ASP CB C 34 41.177 41.889 -0.712 1
1 360 . 18 1 1 A 34 34 ASP N N 34 122.502 122.815 -0.313 1
1 361 . 18 1 1 A 35 35 ASN HA H 35 4.395 4.889 -0.494 1
1 366 . 18 1 1 A 35 35 ASN CA C 35 57.033 54.192 2.841 1
1 367 . 18 1 1 A 35 35 ASN CB C 35 38.344 40.526 -2.182 1
1 369 . 18 1 1 A 36 36 ARG HA H 36 4.096 4.027 0.069 1
1 376 . 18 1 1 A 36 36 ARG C C 36 179.554 179.694 -0.140 1
1 377 . 18 1 1 A 36 36 ARG CA C 36 59.527 59.126 0.401 1
1 378 . 18 1 1 A 36 36 ARG CB C 36 29.626 29.900 -0.274 1
1 381 . 18 1 1 A 37 37 GLY H H 37 8.618 8.177 0.441 1
1 382 . 18 1 1 A 37 37 GLY HA2 H 37 3.888 3.731 0.157 1
1 383 . 18 1 1 A 37 37 GLY HA3 H 37 3.754 3.731 0.023 1
1 384 . 18 1 1 A 37 37 GLY C C 37 176.597 176.124 0.473 1
1 385 . 18 1 1 A 37 37 GLY CA C 37 47.048 47.291 -0.243 1
1 386 . 18 1 1 A 37 37 GLY N N 37 110.017 108.402 1.615 1
1 387 . 18 1 1 A 38 38 ALA H H 38 8.619 8.011 0.608 1
1 388 . 18 1 1 A 38 38 ALA HA H 38 3.945 3.903 0.042 1
1 392 . 18 1 1 A 38 38 ALA C C 38 178.924 179.504 -0.580 1
1 393 . 18 1 1 A 38 38 ALA CA C 38 55.123 54.628 0.495 1
1 394 . 18 1 1 A 38 38 ALA CB C 38 18.046 18.227 -0.181 1
1 395 . 18 1 1 A 38 38 ALA N N 38 124.889 124.302 0.587 1
1 396 . 18 1 1 A 39 39 THR H H 39 8.239 8.695 -0.456 1
1 397 . 18 1 1 A 39 39 THR HA H 39 3.895 3.875 0.020 1
1 402 . 18 1 1 A 39 39 THR C C 39 175.252 176.264 -1.012 1
1 403 . 18 1 1 A 39 39 THR CA C 39 66.889 67.104 -0.215 1
1 404 . 18 1 1 A 39 39 THR CB C 39 68.607 68.402 0.205 1
1 406 . 18 1 1 A 39 39 THR N N 39 114.810 115.025 -0.215 1
1 407 . 18 1 1 A 40 40 LYS H H 40 7.518 7.832 -0.314 1
1 408 . 18 1 1 A 40 40 LYS HA H 40 4.098 3.919 0.179 1
1 417 . 18 1 1 A 40 40 LYS C C 40 178.330 178.775 -0.445 1
1 418 . 18 1 1 A 40 40 LYS CA C 40 59.746 59.957 -0.211 1
1 419 . 18 1 1 A 40 40 LYS CB C 40 32.106 32.268 -0.162 1
1 423 . 18 1 1 A 40 40 LYS N N 40 122.046 120.360 1.686 1
1 424 . 18 1 1 A 41 41 ILE H H 41 7.218 7.812 -0.594 1
1 425 . 18 1 1 A 41 41 ILE HA H 41 3.722 3.531 0.191 1
1 435 . 18 1 1 A 41 41 ILE C C 41 178.197 177.571 0.626 1
1 436 . 18 1 1 A 41 41 ILE CA C 41 64.055 65.508 -1.453 1
1 437 . 18 1 1 A 41 41 ILE CB C 41 36.482 37.792 -1.310 1
1 441 . 18 1 1 A 41 41 ILE N N 41 119.019 120.119 -1.100 1
1 442 . 18 1 1 A 42 42 LEU H H 42 7.940 8.052 -0.112 1
1 443 . 18 1 1 A 42 42 LEU HA H 42 3.988 3.794 0.194 1
1 453 . 18 1 1 A 42 42 LEU C C 42 179.251 178.955 0.296 1
1 454 . 18 1 1 A 42 42 LEU CA C 42 58.605 57.940 0.665 1
1 455 . 18 1 1 A 42 42 LEU CB C 42 41.694 41.484 0.210 1
1 459 . 18 1 1 A 42 42 LEU N N 42 119.163 118.947 0.216 1
1 460 . 18 1 1 A 43 43 ALA H H 43 8.732 8.445 0.287 1
1 461 . 18 1 1 A 43 43 ALA HA H 43 4.222 4.352 -0.130 1
1 465 . 18 1 1 A 43 43 ALA C C 43 180.899 179.262 1.637 1
1 466 . 18 1 1 A 43 43 ALA CA C 43 55.699 55.684 0.015 1
1 467 . 18 1 1 A 43 43 ALA CB C 43 17.859 18.712 -0.853 1
1 468 . 18 1 1 A 43 43 ALA N N 43 122.225 121.612 0.613 1
1 469 . 18 1 1 A 44 44 ASP H H 44 8.350 8.154 0.196 1
1 470 . 18 1 1 A 44 44 ASP HA H 44 4.545 4.419 0.126 1
1 473 . 18 1 1 A 44 44 ASP C C 44 179.227 178.672 0.555 1
1 474 . 18 1 1 A 44 44 ASP CA C 44 57.507 57.442 0.065 1
1 475 . 18 1 1 A 44 44 ASP CB C 44 39.719 41.324 -1.605 1
1 476 . 18 1 1 A 44 44 ASP N N 44 122.950 118.428 4.522 1
1 477 . 18 1 1 A 45 45 TRP H H 45 8.831 8.552 0.279 1
1 478 . 18 1 1 A 45 45 TRP HA H 45 4.692 4.392 0.300 1
1 487 . 18 1 1 A 45 45 TRP C C 45 179.057 178.827 0.230 1
1 488 . 18 1 1 A 45 45 TRP CA C 45 58.008 59.709 -1.701 1
1 489 . 18 1 1 A 45 45 TRP CB C 45 29.520 29.881 -0.361 1
1 495 . 18 1 1 A 45 45 TRP N N 45 122.321 119.826 2.495 1
1 497 . 18 1 1 A 46 46 TRP H H 46 8.921 8.377 0.544 1
1 498 . 18 1 1 A 46 46 TRP HA H 46 3.733 3.473 0.260 1
1 507 . 18 1 1 A 46 46 TRP C C 46 177.664 177.885 -0.221 1
1 508 . 18 1 1 A 46 46 TRP CA C 46 59.279 60.478 -1.199 1
1 509 . 18 1 1 A 46 46 TRP CB C 46 30.508 29.043 1.465 1
1 515 . 18 1 1 A 46 46 TRP N N 46 120.243 121.347 -1.104 1
1 517 . 18 1 1 A 47 47 ALA H H 47 7.918 9.356 -1.438 1
1 518 . 18 1 1 A 47 47 ALA HA H 47 3.918 4.157 -0.239 1
1 522 . 18 1 1 A 47 47 ALA C C 47 179.978 178.172 1.806 1
1 523 . 18 1 1 A 47 47 ALA CA C 47 55.011 55.042 -0.031 1
1 524 . 18 1 1 A 47 47 ALA CB C 47 18.581 18.701 -0.120 1
1 525 . 18 1 1 A 47 47 ALA N N 47 117.935 121.411 -3.476 1
1 526 . 18 1 1 A 48 48 VAL H H 48 7.106 7.665 -0.559 1
1 527 . 18 1 1 A 48 48 VAL HA H 48 4.378 4.420 -0.042 1
1 535 . 18 1 1 A 48 48 VAL C C 48 175.627 174.594 1.033 1
1 536 . 18 1 1 A 48 48 VAL CA C 48 60.641 60.373 0.268 1
1 537 . 18 1 1 A 48 48 VAL CB C 48 31.865 31.471 0.394 1
1 540 . 18 1 1 A 48 48 VAL N N 48 107.757 108.335 -0.578 1
1 541 . 18 1 1 A 49 49 LEU H H 49 7.008 7.346 -0.338 1
1 542 . 18 1 1 A 49 49 LEU HA H 49 3.948 5.132 -1.184 1
1 552 . 18 1 1 A 49 49 LEU C C 49 176.258 174.181 2.077 1
1 553 . 18 1 1 A 49 49 LEU CA C 49 55.032 53.349 1.683 1
1 554 . 18 1 1 A 49 49 LEU CB C 49 42.822 46.185 -3.363 1
1 558 . 18 1 1 A 49 49 LEU N N 49 125.594 124.518 1.076 1
1 559 . 18 1 1 A 50 50 ASP H H 50 8.485 8.771 -0.286 1
1 560 . 18 1 1 A 50 50 ASP HA H 50 4.643 4.835 -0.192 1
1 563 . 18 1 1 A 50 50 ASP CA C 50 52.855 52.284 0.571 1
1 564 . 18 1 1 A 50 50 ASP CB C 50 42.605 41.776 0.829 1
1 565 . 18 1 1 A 51 51 PRO HA H 51 4.025 4.282 -0.257 1
1 572 . 18 1 1 A 51 51 PRO C C 51 179.166 178.852 0.314 1
1 573 . 18 1 1 A 51 51 PRO CA C 51 65.861 65.774 0.087 1
1 574 . 18 1 1 A 51 51 PRO CB C 51 32.458 31.571 0.887 1
1 577 . 18 1 1 A 52 52 LYS H H 52 8.866 8.279 0.587 1
1 578 . 18 1 1 A 52 52 LYS HA H 52 4.165 3.988 0.177 1
1 585 . 18 1 1 A 52 52 LYS C C 52 179.542 179.128 0.414 1
1 586 . 18 1 1 A 52 52 LYS CA C 52 59.484 59.747 -0.263 1
1 587 . 18 1 1 A 52 52 LYS CB C 52 31.906 32.294 -0.388 1
1 591 . 18 1 1 A 52 52 LYS N N 52 118.625 118.093 0.532 1
1 592 . 18 1 1 A 53 53 GLU H H 53 7.727 7.967 -0.240 1
1 593 . 18 1 1 A 53 53 GLU HA H 53 4.343 4.125 0.218 1
1 598 . 18 1 1 A 53 53 GLU C C 53 179.335 179.574 -0.239 1
1 599 . 18 1 1 A 53 53 GLU CA C 53 58.355 59.235 -0.880 1
1 600 . 18 1 1 A 53 53 GLU CB C 53 29.726 29.593 0.133 1
1 602 . 18 1 1 A 53 53 GLU N N 53 120.460 119.488 0.972 1
1 603 . 18 1 1 A 54 54 LYS H H 54 8.194 7.679 0.515 1
1 604 . 18 1 1 A 54 54 LYS HA H 54 3.949 4.297 -0.348 1
1 613 . 18 1 1 A 54 54 LYS C C 54 179.566 179.171 0.395 1
1 614 . 18 1 1 A 54 54 LYS CA C 54 60.920 59.600 1.320 1
1 615 . 18 1 1 A 54 54 LYS CB C 54 32.481 32.215 0.266 1
1 619 . 18 1 1 A 54 54 LYS N N 54 118.859 118.247 0.612 1
1 620 . 18 1 1 A 55 55 GLN H H 55 7.965 8.933 -0.968 1
1 621 . 18 1 1 A 55 55 GLN HA H 55 4.025 4.116 -0.091 1
1 628 . 18 1 1 A 55 55 GLN C C 55 177.154 178.466 -1.312 1
1 629 . 18 1 1 A 55 55 GLN CA C 55 58.064 58.962 -0.898 1
1 630 . 18 1 1 A 55 55 GLN CB C 55 28.163 28.621 -0.458 1
1 632 . 18 1 1 A 55 55 GLN N N 55 117.922 119.929 -2.007 1
1 634 . 18 1 1 A 56 56 LYS H H 56 7.483 8.129 -0.646 1
1 635 . 18 1 1 A 56 56 LYS HA H 56 4.205 4.122 0.083 1
1 644 . 18 1 1 A 56 56 LYS C C 56 179.772 178.150 1.622 1
1 645 . 18 1 1 A 56 56 LYS CA C 56 59.671 58.873 0.798 1
1 646 . 18 1 1 A 56 56 LYS CB C 56 31.700 31.716 -0.016 1
1 650 . 18 1 1 A 56 56 LYS N N 56 118.491 118.687 -0.196 1
1 651 . 18 1 1 A 57 57 TYR H H 57 7.707 7.876 -0.169 1
1 652 . 18 1 1 A 57 57 TYR HA H 57 4.344 4.533 -0.189 1
1 659 . 18 1 1 A 57 57 TYR C C 57 177.966 178.856 -0.890 1
1 660 . 18 1 1 A 57 57 TYR CA C 57 62.784 61.036 1.748 1
1 661 . 18 1 1 A 57 57 TYR CB C 57 38.973 38.929 0.044 1
1 666 . 18 1 1 A 57 57 TYR N N 57 117.968 119.413 -1.445 1
1 667 . 18 1 1 A 58 58 THR H H 58 8.458 9.174 -0.716 1
1 668 . 18 1 1 A 58 58 THR HA H 58 4.074 4.247 -0.173 1
1 673 . 18 1 1 A 58 58 THR C C 58 177.203 176.138 1.065 1
1 674 . 18 1 1 A 58 58 THR CA C 58 67.168 66.381 0.787 1
1 675 . 18 1 1 A 58 58 THR CB C 58 68.401 68.679 -0.278 1
1 677 . 18 1 1 A 58 58 THR N N 58 118.700 115.715 2.985 1
1 678 . 18 1 1 A 59 59 ASP H H 59 8.807 8.320 0.487 1
1 679 . 18 1 1 A 59 59 ASP HA H 59 4.514 4.419 0.095 1
1 682 . 18 1 1 A 59 59 ASP C C 59 179.154 178.499 0.655 1
1 683 . 18 1 1 A 59 59 ASP CA C 59 57.754 57.540 0.214 1
1 684 . 18 1 1 A 59 59 ASP CB C 59 39.801 40.892 -1.091 1
1 685 . 18 1 1 A 59 59 ASP N N 59 123.812 120.998 2.814 1
1 686 . 18 1 1 A 60 60 MET H H 60 8.085 7.909 0.176 1
1 687 . 18 1 1 A 60 60 MET HA H 60 4.161 4.156 0.005 1
1 695 . 18 1 1 A 60 60 MET C C 60 178.378 178.362 0.016 1
1 696 . 18 1 1 A 60 60 MET CA C 60 58.980 59.482 -0.502 1
1 697 . 18 1 1 A 60 60 MET CB C 60 34.227 32.850 1.377 1
1 700 . 18 1 1 A 60 60 MET N N 60 120.481 118.020 2.461 1
1 701 . 18 1 1 A 61 61 ALA H H 61 8.296 8.135 0.161 1
1 702 . 18 1 1 A 61 61 ALA HA H 61 4.114 4.294 -0.180 1
1 706 . 18 1 1 A 61 61 ALA C C 61 179.408 179.269 0.139 1
1 707 . 18 1 1 A 61 61 ALA CA C 61 54.935 55.499 -0.564 1
1 708 . 18 1 1 A 61 61 ALA CB C 61 17.759 18.543 -0.784 1
1 709 . 18 1 1 A 61 61 ALA N N 61 121.147 121.411 -0.264 1
1 710 . 18 1 1 A 62 62 LYS H H 62 7.812 8.345 -0.533 1
1 711 . 18 1 1 A 62 62 LYS HA H 62 4.177 3.964 0.213 1
1 720 . 18 1 1 A 62 62 LYS C C 62 177.979 178.951 -0.972 1
1 721 . 18 1 1 A 62 62 LYS CA C 62 59.289 59.659 -0.370 1
1 722 . 18 1 1 A 62 62 LYS CB C 62 32.539 32.150 0.389 1
1 726 . 18 1 1 A 62 62 LYS N N 62 119.686 118.803 0.883 1
1 727 . 18 1 1 A 63 63 GLU H H 63 7.810 7.686 0.124 1
1 728 . 18 1 1 A 63 63 GLU HA H 63 4.216 4.056 0.160 1
1 733 . 18 1 1 A 63 63 GLU C C 63 178.597 178.945 -0.348 1
1 734 . 18 1 1 A 63 63 GLU CA C 63 58.386 59.260 -0.874 1
1 735 . 18 1 1 A 63 63 GLU CB C 63 29.644 29.623 0.021 1
1 737 . 18 1 1 A 63 63 GLU N N 63 118.765 119.384 -0.619 1
1 738 . 18 1 1 A 64 64 TYR H H 64 8.098 8.313 -0.215 1
1 739 . 18 1 1 A 64 64 TYR HA H 64 4.395 4.297 0.098 1
1 746 . 18 1 1 A 64 64 TYR C C 64 177.639 178.231 -0.592 1
1 747 . 18 1 1 A 64 64 TYR CA C 64 60.006 61.883 -1.877 1
1 748 . 18 1 1 A 64 64 TYR CB C 64 38.198 38.009 0.189 1
1 753 . 18 1 1 A 64 64 TYR N N 64 119.914 119.697 0.217 1
1 754 . 18 1 1 A 65 65 LYS H H 65 8.225 9.718 -1.493 1
1 755 . 18 1 1 A 65 65 LYS HA H 65 4.146 3.897 0.249 1
1 764 . 18 1 1 A 65 65 LYS C C 65 177.481 177.932 -0.451 1
1 765 . 18 1 1 A 65 65 LYS CA C 65 58.793 59.800 -1.007 1
1 766 . 18 1 1 A 65 65 LYS CB C 65 32.523 32.116 0.407 1
1 770 . 18 1 1 A 65 65 LYS N N 65 122.842 121.000 1.842 1
1 771 . 18 1 1 A 66 66 ASP H H 66 8.402 8.235 0.167 1
1 772 . 18 1 1 A 66 66 ASP HA H 66 4.485 4.327 0.158 1
1 775 . 18 1 1 A 66 66 ASP C C 66 177.930 178.352 -0.422 1
1 776 . 18 1 1 A 66 66 ASP CA C 66 56.423 57.708 -1.285 1
1 777 . 18 1 1 A 66 66 ASP CB C 66 40.829 40.950 -0.121 1
1 778 . 18 1 1 A 66 66 ASP N N 66 120.424 119.467 0.957 1
1 779 . 18 1 1 A 67 67 ALA H H 67 7.989 8.357 -0.368 1
1 780 . 18 1 1 A 67 67 ALA HA H 67 4.151 4.103 0.048 1
1 784 . 18 1 1 A 67 67 ALA C C 67 179.457 179.676 -0.219 1
1 785 . 18 1 1 A 67 67 ALA CA C 67 54.274 55.116 -0.842 1
1 786 . 18 1 1 A 67 67 ALA CB C 67 18.499 18.754 -0.255 1
1 787 . 18 1 1 A 67 67 ALA N N 67 122.273 121.682 0.591 1
1 788 . 18 1 1 A 68 68 PHE H H 68 8.235 8.746 -0.511 1
1 789 . 18 1 1 A 68 68 PHE HA H 68 4.314 4.021 0.293 1
1 796 . 18 1 1 A 68 68 PHE C C 68 177.421 176.903 0.518 1
1 797 . 18 1 1 A 68 68 PHE CA C 68 60.193 61.774 -1.581 1
1 798 . 18 1 1 A 68 68 PHE CB C 68 39.390 39.249 0.141 1
1 803 . 18 1 1 A 68 68 PHE N N 68 119.632 119.561 0.071 1
1 804 . 18 1 1 A 69 69 MET H H 69 8.325 8.686 -0.361 1
1 805 . 18 1 1 A 69 69 MET HA H 69 4.296 4.607 -0.311 1
1 813 . 18 1 1 A 69 69 MET C C 69 177.651 175.801 1.850 1
1 814 . 18 1 1 A 69 69 MET CA C 69 56.645 54.332 2.313 1
1 815 . 18 1 1 A 69 69 MET CB C 69 32.108 30.763 1.345 1
1 818 . 18 1 1 A 69 69 MET N N 69 119.223 116.234 2.989 1
1 819 . 18 1 1 A 70 70 LYS H H 70 7.864 8.882 -1.018 1
1 820 . 18 1 1 A 70 70 LYS HA H 70 4.092 4.467 -0.375 1
1 829 . 18 1 1 A 70 70 LYS C C 70 177.009 177.615 -0.606 1
1 830 . 18 1 1 A 70 70 LYS CA C 70 57.769 57.795 -0.026 1
1 831 . 18 1 1 A 70 70 LYS CB C 70 32.687 34.111 -1.424 1
1 835 . 18 1 1 A 70 70 LYS N N 70 120.004 126.271 -6.267 1
1 836 . 18 1 1 A 71 71 ALA H H 71 7.670 7.744 -0.074 1
1 837 . 18 1 1 A 71 71 ALA HA H 71 4.264 4.521 -0.257 1
1 841 . 18 1 1 A 71 71 ALA C C 71 177.009 177.387 -0.378 1
1 842 . 18 1 1 A 71 71 ALA CA C 71 52.603 53.038 -0.435 1
1 843 . 18 1 1 A 71 71 ALA CB C 71 19.321 20.361 -1.040 1
1 844 . 18 1 1 A 71 71 ALA N N 71 121.270 118.868 2.402 1
1 845 . 18 1 1 A 72 72 ASN H H 72 7.846 8.018 -0.172 1
1 846 . 18 1 1 A 72 72 ASN HA H 72 4.972 4.459 0.513 1
1 851 . 18 1 1 A 72 72 ASN C C 72 172.453 174.538 -2.085 1
1 852 . 18 1 1 A 72 72 ASN CA C 72 51.185 53.766 -2.581 1
1 853 . 18 1 1 A 72 72 ASN CB C 72 39.350 37.190 2.160 1
1 854 . 18 1 1 A 72 72 ASN N N 72 117.432 112.617 4.815 1
1 856 . 18 1 1 A 73 73 PRO HA H 73 4.465 4.492 -0.027 1
1 863 . 18 1 1 A 73 73 PRO C C 73 177.857 177.839 0.018 1
1 864 . 18 1 1 A 73 73 PRO CA C 73 63.972 63.148 0.824 1
1 865 . 18 1 1 A 73 73 PRO CB C 73 31.884 29.810 2.074 1
1 868 . 18 1 1 A 74 74 GLY H H 74 8.538 8.777 -0.239 1
1 869 . 18 1 1 A 74 74 GLY HA2 H 74 3.881 4.058 -0.177 1
1 870 . 18 1 1 A 74 74 GLY HA3 H 74 3.957 4.077 -0.120 1
1 871 . 18 1 1 A 74 74 GLY C C 74 174.210 174.883 -0.673 1
1 872 . 18 1 1 A 74 74 GLY CA C 74 45.216 46.241 -1.025 1
1 873 . 18 1 1 A 74 74 GLY N N 74 108.444 113.192 -4.748 1
1 874 . 18 1 1 A 75 75 TYR H H 75 7.878 8.151 -0.273 1
1 875 . 18 1 1 A 75 75 TYR HA H 75 4.449 4.185 0.264 1
1 882 . 18 1 1 A 75 75 TYR C C 75 175.640 175.341 0.299 1
1 883 . 18 1 1 A 75 75 TYR CA C 75 58.778 61.551 -2.773 1
1 884 . 18 1 1 A 75 75 TYR CB C 75 38.856 39.150 -0.294 1
1 889 . 18 1 1 A 75 75 TYR N N 75 120.970 120.716 0.254 1
1 890 . 18 1 1 A 76 76 ARG H H 76 8.039 8.085 -0.046 1
1 891 . 18 1 1 A 76 76 ARG HA H 76 4.346 3.967 0.379 1
1 898 . 18 1 1 A 76 76 ARG C C 76 175.482 174.628 0.854 1
1 899 . 18 1 1 A 76 76 ARG CA C 76 55.510 56.625 -1.115 1
1 900 . 18 1 1 A 76 76 ARG CB C 76 31.307 28.764 2.543 1
1 903 . 18 1 1 A 76 76 ARG N N 76 124.540 118.899 5.641 1
1 904 . 18 1 1 A 77 77 SER HA H 77 4.430 4.458 -0.028 1
1 907 . 18 1 1 A 77 77 SER CA C 77 58.319 57.350 0.969 1
1 908 . 18 1 1 A 77 77 SER CB C 77 63.982 63.300 0.682 1
1 909 . 18 1 1 A 78 78 GLY HA2 H 78 4.154 3.981 0.173 1
1 910 . 18 1 1 A 78 78 GLY HA3 H 78 4.154 3.992 0.162 1
1 911 . 18 1 1 A 78 78 GLY CA C 78 44.731 46.680 -1.949 1
1 912 . 18 1 1 A 79 79 PRO HA H 79 4.495 4.637 -0.142 1
1 917 . 18 1 1 A 79 79 PRO CA C 79 63.366 64.709 -1.343 1
1 918 . 18 1 1 A 79 79 PRO CB C 79 32.289 32.274 0.015 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.967 3.987 -0.020 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.967 4.006 -0.039 1
1 3 . 19 1 1 A 7 7 GLY C C 7 173.907 174.342 -0.435 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.273 45.760 -0.487 1
1 5 . 19 1 1 A 8 8 ALA H H 8 8.092 7.908 0.184 1
1 6 . 19 1 1 A 8 8 ALA HA H 8 4.335 4.294 0.041 1
1 10 . 19 1 1 A 8 8 ALA C C 8 177.772 178.178 -0.406 1
1 11 . 19 1 1 A 8 8 ALA CA C 8 52.468 51.927 0.541 1
1 12 . 19 1 1 A 8 8 ALA CB C 8 19.404 19.302 0.102 1
1 13 . 19 1 1 A 8 8 ALA N N 8 123.589 124.307 -0.718 1
1 14 . 19 1 1 A 9 9 ARG H H 9 8.298 8.853 -0.555 1
1 15 . 19 1 1 A 9 9 ARG HA H 9 4.348 4.161 0.187 1
1 22 . 19 1 1 A 9 9 ARG C C 9 175.894 175.715 0.179 1
1 23 . 19 1 1 A 9 9 ARG CA C 9 55.999 58.411 -2.412 1
1 24 . 19 1 1 A 9 9 ARG CB C 9 30.813 29.679 1.134 1
1 27 . 19 1 1 A 9 9 ARG N N 9 120.366 117.732 2.634 1
1 28 . 19 1 1 A 10 10 ARG H H 10 8.212 8.361 -0.149 1
1 29 . 19 1 1 A 10 10 ARG HA H 10 4.468 4.258 0.210 1
1 36 . 19 1 1 A 10 10 ARG C C 10 173.810 174.226 -0.416 1
1 37 . 19 1 1 A 10 10 ARG CA C 10 53.783 54.378 -0.595 1
1 38 . 19 1 1 A 10 10 ARG CB C 10 30.384 29.245 1.139 1
1 41 . 19 1 1 A 10 10 ARG N N 10 122.690 119.084 3.606 1
1 42 . 19 1 1 A 11 11 PRO HA H 11 4.322 4.517 -0.195 1
1 49 . 19 1 1 A 11 11 PRO C C 11 176.427 175.698 0.729 1
1 50 . 19 1 1 A 11 11 PRO CA C 11 62.905 62.236 0.669 1
1 51 . 19 1 1 A 11 11 PRO CB C 11 31.929 32.947 -1.018 1
1 54 . 19 1 1 A 12 12 MET H H 12 8.237 8.330 -0.093 1
1 55 . 19 1 1 A 12 12 MET HA H 12 4.441 5.203 -0.762 1
1 63 . 19 1 1 A 12 12 MET C C 12 175.094 174.747 0.347 1
1 64 . 19 1 1 A 12 12 MET CA C 12 55.400 53.438 1.962 1
1 65 . 19 1 1 A 12 12 MET CB C 12 33.327 35.333 -2.006 1
1 68 . 19 1 1 A 12 12 MET N N 12 120.543 116.725 3.818 1
1 69 . 19 1 1 A 13 13 ASN H H 13 7.399 8.733 -1.334 1
1 70 . 19 1 1 A 13 13 ASN HA H 13 4.650 4.966 -0.316 1
1 75 . 19 1 1 A 13 13 ASN C C 13 174.743 176.627 -1.884 1
1 76 . 19 1 1 A 13 13 ASN CA C 13 52.456 52.870 -0.414 1
1 77 . 19 1 1 A 13 13 ASN CB C 13 39.513 39.694 -0.181 1
1 78 . 19 1 1 A 13 13 ASN N N 13 118.399 121.169 -2.770 1
1 80 . 19 1 1 A 14 14 ALA H H 14 8.681 8.770 -0.089 1
1 81 . 19 1 1 A 14 14 ALA HA H 14 3.964 4.382 -0.418 1
1 85 . 19 1 1 A 14 14 ALA C C 14 177.736 178.793 -1.057 1
1 86 . 19 1 1 A 14 14 ALA CA C 14 56.221 54.734 1.487 1
1 87 . 19 1 1 A 14 14 ALA CB C 14 19.568 18.632 0.936 1
1 88 . 19 1 1 A 14 14 ALA N N 14 122.169 122.855 -0.686 1
1 89 . 19 1 1 A 15 15 PHE H H 15 8.002 7.692 0.310 1
1 90 . 19 1 1 A 15 15 PHE HA H 15 2.866 2.505 0.361 1
1 98 . 19 1 1 A 15 15 PHE C C 15 177.821 176.792 1.029 1
1 99 . 19 1 1 A 15 15 PHE CA C 15 59.132 60.371 -1.239 1
1 100 . 19 1 1 A 15 15 PHE CB C 15 38.239 38.336 -0.097 1
1 106 . 19 1 1 A 15 15 PHE N N 15 116.867 118.941 -2.074 1
1 107 . 19 1 1 A 16 16 LEU H H 16 8.264 8.087 0.177 1
1 108 . 19 1 1 A 16 16 LEU HA H 16 3.642 3.693 -0.051 1
1 118 . 19 1 1 A 16 16 LEU C C 16 180.354 179.624 0.730 1
1 119 . 19 1 1 A 16 16 LEU CA C 16 58.236 56.825 1.411 1
1 120 . 19 1 1 A 16 16 LEU CB C 16 41.365 41.385 -0.020 1
1 124 . 19 1 1 A 16 16 LEU N N 16 120.647 119.238 1.409 1
1 125 . 19 1 1 A 17 17 LEU H H 17 7.977 7.417 0.560 1
1 126 . 19 1 1 A 17 17 LEU HA H 17 4.065 4.220 -0.155 1
1 136 . 19 1 1 A 17 17 LEU C C 17 178.984 179.002 -0.018 1
1 137 . 19 1 1 A 17 17 LEU CA C 17 58.165 57.466 0.699 1
1 138 . 19 1 1 A 17 17 LEU CB C 17 41.693 42.594 -0.901 1
1 142 . 19 1 1 A 17 17 LEU N N 17 121.855 118.577 3.278 1
1 143 . 19 1 1 A 18 18 PHE H H 18 8.136 7.775 0.361 1
1 144 . 19 1 1 A 18 18 PHE HA H 18 3.769 4.344 -0.575 1
1 150 . 19 1 1 A 18 18 PHE C C 18 179.020 177.430 1.590 1
1 151 . 19 1 1 A 18 18 PHE CA C 18 62.333 60.176 2.157 1
1 152 . 19 1 1 A 18 18 PHE CB C 18 39.122 39.309 -0.187 1
1 156 . 19 1 1 A 18 18 PHE N N 18 122.907 118.340 4.567 1
1 157 . 19 1 1 A 19 19 CYS H H 19 8.520 7.536 0.984 1
1 158 . 19 1 1 A 19 19 CYS HA H 19 3.728 4.340 -0.612 1
1 161 . 19 1 1 A 19 19 CYS C C 19 176.136 176.663 -0.527 1
1 162 . 19 1 1 A 19 19 CYS CA C 19 64.313 62.780 1.533 1
1 163 . 19 1 1 A 19 19 CYS CB C 19 26.577 27.125 -0.548 1
1 164 . 19 1 1 A 19 19 CYS N N 19 119.069 117.526 1.543 1
1 165 . 19 1 1 A 20 20 LYS H H 20 7.969 7.498 0.471 1
1 166 . 19 1 1 A 20 20 LYS HA H 20 3.953 4.101 -0.148 1
1 175 . 19 1 1 A 20 20 LYS C C 20 179.133 178.479 0.654 1
1 176 . 19 1 1 A 20 20 LYS CA C 20 59.295 58.585 0.710 1
1 177 . 19 1 1 A 20 20 LYS CB C 20 32.111 32.070 0.041 1
1 181 . 19 1 1 A 20 20 LYS N N 20 119.888 120.056 -0.168 1
1 182 . 19 1 1 A 21 21 ARG H H 21 7.493 7.723 -0.230 1
1 183 . 19 1 1 A 21 21 ARG HA H 21 4.166 4.353 -0.187 1
1 190 . 19 1 1 A 21 21 ARG C C 21 177.239 177.996 -0.757 1
1 191 . 19 1 1 A 21 21 ARG CA C 21 57.575 58.270 -0.695 1
1 192 . 19 1 1 A 21 21 ARG CB C 21 30.137 31.308 -1.171 1
1 195 . 19 1 1 A 21 21 ARG N N 21 116.105 118.562 -2.457 1
1 196 . 19 1 1 A 22 22 HIS H H 22 7.354 8.160 -0.806 1
1 197 . 19 1 1 A 22 22 HIS HA H 22 4.706 4.407 0.299 1
1 201 . 19 1 1 A 22 22 HIS C C 22 175.627 176.886 -1.259 1
1 202 . 19 1 1 A 22 22 HIS CA C 22 58.593 59.438 -0.845 1
1 203 . 19 1 1 A 22 22 HIS CB C 22 30.754 28.823 1.931 1
1 205 . 19 1 1 A 22 22 HIS N N 22 113.808 118.004 -4.196 1
1 206 . 19 1 1 A 23 23 ARG H H 23 8.372 7.896 0.476 1
1 207 . 19 1 1 A 23 23 ARG HA H 23 3.793 3.856 -0.063 1
1 214 . 19 1 1 A 23 23 ARG C C 23 177.930 178.148 -0.218 1
1 215 . 19 1 1 A 23 23 ARG CA C 23 60.747 59.550 1.197 1
1 216 . 19 1 1 A 23 23 ARG CB C 23 29.251 30.325 -1.074 1
1 219 . 19 1 1 A 23 23 ARG N N 23 123.560 121.132 2.428 1
1 220 . 19 1 1 A 24 24 SER HA H 24 4.163 4.154 0.009 1
1 223 . 19 1 1 A 24 24 SER CA C 24 61.523 61.451 0.072 1
1 224 . 19 1 1 A 24 24 SER CB C 24 62.116 62.338 -0.222 1
1 225 . 19 1 1 A 25 25 LEU H H 25 7.504 8.175 -0.671 1
1 226 . 19 1 1 A 25 25 LEU HA H 25 4.265 3.988 0.277 1
1 236 . 19 1 1 A 25 25 LEU C C 25 179.336 178.884 0.452 1
1 237 . 19 1 1 A 25 25 LEU CA C 25 57.837 58.543 -0.706 1
1 238 . 19 1 1 A 25 25 LEU CB C 25 41.470 42.012 -0.542 1
1 242 . 19 1 1 A 25 25 LEU N N 25 124.174 122.490 1.684 1
1 243 . 19 1 1 A 26 26 VAL H H 26 7.802 8.146 -0.344 1
1 244 . 19 1 1 A 26 26 VAL HA H 26 3.833 3.463 0.370 1
1 252 . 19 1 1 A 26 26 VAL C C 26 177.712 177.988 -0.276 1
1 253 . 19 1 1 A 26 26 VAL CA C 26 66.662 67.060 -0.398 1
1 254 . 19 1 1 A 26 26 VAL CB C 26 31.670 31.355 0.315 1
1 257 . 19 1 1 A 26 26 VAL N N 26 119.266 118.734 0.532 1
1 258 . 19 1 1 A 27 27 ARG H H 27 7.922 8.662 -0.740 1
1 259 . 19 1 1 A 27 27 ARG HA H 27 4.043 4.022 0.021 1
1 266 . 19 1 1 A 27 27 ARG C C 27 177.785 178.616 -0.831 1
1 267 . 19 1 1 A 27 27 ARG CA C 27 58.683 60.077 -1.394 1
1 268 . 19 1 1 A 27 27 ARG CB C 27 29.720 29.899 -0.179 1
1 271 . 19 1 1 A 27 27 ARG N N 27 118.035 119.157 -1.122 1
1 272 . 19 1 1 A 28 28 GLN H H 28 7.707 8.810 -1.103 1
1 273 . 19 1 1 A 28 28 GLN HA H 28 4.092 4.104 -0.012 1
1 280 . 19 1 1 A 28 28 GLN C C 28 177.785 178.734 -0.949 1
1 281 . 19 1 1 A 28 28 GLN CA C 28 58.233 58.771 -0.538 1
1 282 . 19 1 1 A 28 28 GLN CB C 28 29.191 28.563 0.628 1
1 284 . 19 1 1 A 28 28 GLN N N 28 116.893 118.243 -1.350 1
1 286 . 19 1 1 A 29 29 GLU H H 29 7.864 8.751 -0.887 1
1 287 . 19 1 1 A 29 29 GLU HA H 29 4.131 3.968 0.163 1
1 292 . 19 1 1 A 29 29 GLU C C 29 176.246 176.094 0.152 1
1 293 . 19 1 1 A 29 29 GLU CA C 29 57.808 58.866 -1.058 1
1 294 . 19 1 1 A 29 29 GLU CB C 29 31.004 29.581 1.423 1
1 296 . 19 1 1 A 29 29 GLU N N 29 116.949 118.749 -1.800 1
1 297 . 19 1 1 A 30 30 HIS H H 30 8.058 8.520 -0.462 1
1 298 . 19 1 1 A 30 30 HIS HA H 30 5.071 5.087 -0.016 1
1 303 . 19 1 1 A 30 30 HIS C C 30 173.519 173.969 -0.450 1
1 304 . 19 1 1 A 30 30 HIS CA C 30 53.347 53.238 0.109 1
1 305 . 19 1 1 A 30 30 HIS CB C 30 30.649 29.726 0.923 1
1 308 . 19 1 1 A 30 30 HIS N N 30 116.711 117.213 -0.502 1
1 309 . 19 1 1 A 31 31 PRO HA H 31 4.648 4.407 0.241 1
1 316 . 19 1 1 A 31 31 PRO C C 31 178.197 179.016 -0.819 1
1 317 . 19 1 1 A 31 31 PRO CA C 31 64.911 65.265 -0.354 1
1 318 . 19 1 1 A 31 31 PRO CB C 31 32.458 32.017 0.441 1
1 321 . 19 1 1 A 32 32 ARG H H 32 8.617 8.760 -0.143 1
1 322 . 19 1 1 A 32 32 ARG HA H 32 4.406 4.132 0.274 1
1 329 . 19 1 1 A 32 32 ARG C C 32 176.815 177.430 -0.615 1
1 330 . 19 1 1 A 32 32 ARG CA C 32 55.959 58.590 -2.631 1
1 331 . 19 1 1 A 32 32 ARG CB C 32 29.808 29.787 0.021 1
1 334 . 19 1 1 A 32 32 ARG N N 32 116.125 118.338 -2.213 1
1 335 . 19 1 1 A 33 33 LEU H H 33 7.421 7.541 -0.120 1
1 336 . 19 1 1 A 33 33 LEU HA H 33 4.409 4.190 0.219 1
1 346 . 19 1 1 A 33 33 LEU C C 33 177.349 176.346 1.003 1
1 347 . 19 1 1 A 33 33 LEU CA C 33 55.140 55.408 -0.268 1
1 348 . 19 1 1 A 33 33 LEU CB C 33 43.420 42.822 0.598 1
1 352 . 19 1 1 A 33 33 LEU N N 33 120.576 121.233 -0.657 1
1 353 . 19 1 1 A 34 34 ASP H H 34 8.168 8.745 -0.577 1
1 354 . 19 1 1 A 34 34 ASP HA H 34 4.646 4.953 -0.307 1
1 357 . 19 1 1 A 34 34 ASP C C 34 175.821 175.507 0.314 1
1 358 . 19 1 1 A 34 34 ASP CA C 34 52.415 53.337 -0.922 1
1 359 . 19 1 1 A 34 34 ASP CB C 34 41.177 40.802 0.375 1
1 360 . 19 1 1 A 34 34 ASP N N 34 122.502 122.321 0.181 1
1 361 . 19 1 1 A 35 35 ASN HA H 35 4.395 4.243 0.152 1
1 366 . 19 1 1 A 35 35 ASN CA C 35 57.033 55.775 1.258 1
1 367 . 19 1 1 A 35 35 ASN CB C 35 38.344 36.745 1.599 1
1 369 . 19 1 1 A 36 36 ARG HA H 36 4.096 4.013 0.083 1
1 376 . 19 1 1 A 36 36 ARG C C 36 179.554 178.490 1.064 1
1 377 . 19 1 1 A 36 36 ARG CA C 36 59.527 59.650 -0.123 1
1 378 . 19 1 1 A 36 36 ARG CB C 36 29.626 29.987 -0.361 1
1 381 . 19 1 1 A 37 37 GLY H H 37 8.618 8.217 0.401 1
1 382 . 19 1 1 A 37 37 GLY HA2 H 37 3.888 3.787 0.101 1
1 383 . 19 1 1 A 37 37 GLY HA3 H 37 3.754 3.789 -0.035 1
1 384 . 19 1 1 A 37 37 GLY C C 37 176.597 176.030 0.567 1
1 385 . 19 1 1 A 37 37 GLY CA C 37 47.048 47.184 -0.136 1
1 386 . 19 1 1 A 37 37 GLY N N 37 110.017 106.718 3.299 1
1 387 . 19 1 1 A 38 38 ALA H H 38 8.619 7.975 0.644 1
1 388 . 19 1 1 A 38 38 ALA HA H 38 3.945 3.871 0.074 1
1 392 . 19 1 1 A 38 38 ALA C C 38 178.924 179.598 -0.674 1
1 393 . 19 1 1 A 38 38 ALA CA C 38 55.123 54.563 0.560 1
1 394 . 19 1 1 A 38 38 ALA CB C 38 18.046 18.252 -0.206 1
1 395 . 19 1 1 A 38 38 ALA N N 38 124.889 124.469 0.420 1
1 396 . 19 1 1 A 39 39 THR H H 39 8.239 8.787 -0.548 1
1 397 . 19 1 1 A 39 39 THR HA H 39 3.895 3.923 -0.028 1
1 402 . 19 1 1 A 39 39 THR C C 39 175.252 176.407 -1.155 1
1 403 . 19 1 1 A 39 39 THR CA C 39 66.889 66.126 0.763 1
1 404 . 19 1 1 A 39 39 THR CB C 39 68.607 68.424 0.183 1
1 406 . 19 1 1 A 39 39 THR N N 39 114.810 114.788 0.022 1
1 407 . 19 1 1 A 40 40 LYS H H 40 7.518 8.015 -0.497 1
1 408 . 19 1 1 A 40 40 LYS HA H 40 4.098 4.188 -0.090 1
1 417 . 19 1 1 A 40 40 LYS C C 40 178.330 178.666 -0.336 1
1 418 . 19 1 1 A 40 40 LYS CA C 40 59.746 58.351 1.395 1
1 419 . 19 1 1 A 40 40 LYS CB C 40 32.106 32.272 -0.166 1
1 423 . 19 1 1 A 40 40 LYS N N 40 122.046 119.386 2.660 1
1 424 . 19 1 1 A 41 41 ILE H H 41 7.218 7.951 -0.733 1
1 425 . 19 1 1 A 41 41 ILE HA H 41 3.722 3.842 -0.120 1
1 435 . 19 1 1 A 41 41 ILE C C 41 178.197 178.107 0.090 1
1 436 . 19 1 1 A 41 41 ILE CA C 41 64.055 63.932 0.123 1
1 437 . 19 1 1 A 41 41 ILE CB C 41 36.482 36.917 -0.435 1
1 441 . 19 1 1 A 41 41 ILE N N 41 119.019 118.970 0.049 1
1 442 . 19 1 1 A 42 42 LEU H H 42 7.940 8.353 -0.413 1
1 443 . 19 1 1 A 42 42 LEU HA H 42 3.988 4.053 -0.065 1
1 453 . 19 1 1 A 42 42 LEU C C 42 179.251 178.937 0.314 1
1 454 . 19 1 1 A 42 42 LEU CA C 42 58.605 58.052 0.553 1
1 455 . 19 1 1 A 42 42 LEU CB C 42 41.694 41.667 0.027 1
1 459 . 19 1 1 A 42 42 LEU N N 42 119.163 121.036 -1.873 1
1 460 . 19 1 1 A 43 43 ALA H H 43 8.732 8.201 0.531 1
1 461 . 19 1 1 A 43 43 ALA HA H 43 4.222 4.311 -0.089 1
1 465 . 19 1 1 A 43 43 ALA C C 43 180.899 179.429 1.470 1
1 466 . 19 1 1 A 43 43 ALA CA C 43 55.699 55.739 -0.040 1
1 467 . 19 1 1 A 43 43 ALA CB C 43 17.859 18.729 -0.870 1
1 468 . 19 1 1 A 43 43 ALA N N 43 122.225 121.338 0.887 1
1 469 . 19 1 1 A 44 44 ASP H H 44 8.350 8.600 -0.250 1
1 470 . 19 1 1 A 44 44 ASP HA H 44 4.545 4.352 0.193 1
1 473 . 19 1 1 A 44 44 ASP C C 44 179.227 178.866 0.361 1
1 474 . 19 1 1 A 44 44 ASP CA C 44 57.507 57.615 -0.108 1
1 475 . 19 1 1 A 44 44 ASP CB C 44 39.719 41.256 -1.537 1
1 476 . 19 1 1 A 44 44 ASP N N 44 122.950 118.808 4.142 1
1 477 . 19 1 1 A 45 45 TRP H H 45 8.831 8.493 0.338 1
1 478 . 19 1 1 A 45 45 TRP HA H 45 4.692 4.445 0.247 1
1 487 . 19 1 1 A 45 45 TRP C C 45 179.057 178.913 0.144 1
1 488 . 19 1 1 A 45 45 TRP CA C 45 58.008 59.988 -1.980 1
1 489 . 19 1 1 A 45 45 TRP CB C 45 29.520 29.251 0.269 1
1 495 . 19 1 1 A 45 45 TRP N N 45 122.321 120.311 2.010 1
1 497 . 19 1 1 A 46 46 TRP H H 46 8.921 8.455 0.466 1
1 498 . 19 1 1 A 46 46 TRP HA H 46 3.733 3.639 0.094 1
1 507 . 19 1 1 A 46 46 TRP C C 46 177.664 178.181 -0.517 1
1 508 . 19 1 1 A 46 46 TRP CA C 46 59.279 60.790 -1.511 1
1 509 . 19 1 1 A 46 46 TRP CB C 46 30.508 29.812 0.696 1
1 515 . 19 1 1 A 46 46 TRP N N 46 120.243 121.522 -1.279 1
1 517 . 19 1 1 A 47 47 ALA H H 47 7.918 9.582 -1.664 1
1 518 . 19 1 1 A 47 47 ALA HA H 47 3.918 3.929 -0.011 1
1 522 . 19 1 1 A 47 47 ALA C C 47 179.978 179.538 0.440 1
1 523 . 19 1 1 A 47 47 ALA CA C 47 55.011 55.106 -0.095 1
1 524 . 19 1 1 A 47 47 ALA CB C 47 18.581 18.515 0.066 1
1 525 . 19 1 1 A 47 47 ALA N N 47 117.935 120.970 -3.035 1
1 526 . 19 1 1 A 48 48 VAL H H 48 7.106 8.906 -1.800 1
1 527 . 19 1 1 A 48 48 VAL HA H 48 4.378 3.729 0.649 1
1 535 . 19 1 1 A 48 48 VAL C C 48 175.627 176.028 -0.401 1
1 536 . 19 1 1 A 48 48 VAL CA C 48 60.641 65.552 -4.911 1
1 537 . 19 1 1 A 48 48 VAL CB C 48 31.865 31.491 0.374 1
1 540 . 19 1 1 A 48 48 VAL N N 48 107.757 114.718 -6.961 1
1 541 . 19 1 1 A 49 49 LEU H H 49 7.008 7.046 -0.038 1
1 542 . 19 1 1 A 49 49 LEU HA H 49 3.948 3.952 -0.004 1
1 552 . 19 1 1 A 49 49 LEU C C 49 176.258 176.089 0.169 1
1 553 . 19 1 1 A 49 49 LEU CA C 49 55.032 55.715 -0.683 1
1 554 . 19 1 1 A 49 49 LEU CB C 49 42.822 42.807 0.015 1
1 558 . 19 1 1 A 49 49 LEU N N 49 125.594 123.910 1.684 1
1 559 . 19 1 1 A 50 50 ASP H H 50 8.485 8.616 -0.131 1
1 560 . 19 1 1 A 50 50 ASP HA H 50 4.643 4.800 -0.157 1
1 563 . 19 1 1 A 50 50 ASP CA C 50 52.855 52.369 0.486 1
1 564 . 19 1 1 A 50 50 ASP CB C 50 42.605 41.790 0.815 1
1 565 . 19 1 1 A 51 51 PRO HA H 51 4.025 4.200 -0.175 1
1 572 . 19 1 1 A 51 51 PRO C C 51 179.166 178.656 0.510 1
1 573 . 19 1 1 A 51 51 PRO CA C 51 65.861 65.105 0.756 1
1 574 . 19 1 1 A 51 51 PRO CB C 51 32.458 31.705 0.753 1
1 577 . 19 1 1 A 52 52 LYS H H 52 8.866 8.281 0.585 1
1 578 . 19 1 1 A 52 52 LYS HA H 52 4.165 4.032 0.133 1
1 585 . 19 1 1 A 52 52 LYS C C 52 179.542 179.082 0.460 1
1 586 . 19 1 1 A 52 52 LYS CA C 52 59.484 59.544 -0.060 1
1 587 . 19 1 1 A 52 52 LYS CB C 52 31.906 32.223 -0.317 1
1 591 . 19 1 1 A 52 52 LYS N N 52 118.625 118.145 0.480 1
1 592 . 19 1 1 A 53 53 GLU H H 53 7.727 7.918 -0.191 1
1 593 . 19 1 1 A 53 53 GLU HA H 53 4.343 4.141 0.202 1
1 598 . 19 1 1 A 53 53 GLU C C 53 179.335 179.889 -0.554 1
1 599 . 19 1 1 A 53 53 GLU CA C 53 58.355 59.238 -0.883 1
1 600 . 19 1 1 A 53 53 GLU CB C 53 29.726 29.615 0.111 1
1 602 . 19 1 1 A 53 53 GLU N N 53 120.460 119.551 0.909 1
1 603 . 19 1 1 A 54 54 LYS H H 54 8.194 7.707 0.487 1
1 604 . 19 1 1 A 54 54 LYS HA H 54 3.949 4.354 -0.405 1
1 613 . 19 1 1 A 54 54 LYS C C 54 179.566 179.131 0.435 1
1 614 . 19 1 1 A 54 54 LYS CA C 54 60.920 59.227 1.693 1
1 615 . 19 1 1 A 54 54 LYS CB C 54 32.481 31.949 0.532 1
1 619 . 19 1 1 A 54 54 LYS N N 54 118.859 118.293 0.566 1
1 620 . 19 1 1 A 55 55 GLN H H 55 7.965 8.292 -0.327 1
1 621 . 19 1 1 A 55 55 GLN HA H 55 4.025 4.089 -0.064 1
1 628 . 19 1 1 A 55 55 GLN C C 55 177.154 178.097 -0.943 1
1 629 . 19 1 1 A 55 55 GLN CA C 55 58.064 58.862 -0.798 1
1 630 . 19 1 1 A 55 55 GLN CB C 55 28.163 28.854 -0.691 1
1 632 . 19 1 1 A 55 55 GLN N N 55 117.922 119.900 -1.978 1
1 634 . 19 1 1 A 56 56 LYS H H 56 7.483 8.205 -0.722 1
1 635 . 19 1 1 A 56 56 LYS HA H 56 4.205 4.082 0.123 1
1 644 . 19 1 1 A 56 56 LYS C C 56 179.772 178.236 1.536 1
1 645 . 19 1 1 A 56 56 LYS CA C 56 59.671 59.039 0.632 1
1 646 . 19 1 1 A 56 56 LYS CB C 56 31.700 32.050 -0.350 1
1 650 . 19 1 1 A 56 56 LYS N N 56 118.491 118.859 -0.368 1
1 651 . 19 1 1 A 57 57 TYR H H 57 7.707 7.722 -0.015 1
1 652 . 19 1 1 A 57 57 TYR HA H 57 4.344 4.399 -0.055 1
1 659 . 19 1 1 A 57 57 TYR C C 57 177.966 178.584 -0.618 1
1 660 . 19 1 1 A 57 57 TYR CA C 57 62.784 60.940 1.844 1
1 661 . 19 1 1 A 57 57 TYR CB C 57 38.973 38.328 0.645 1
1 666 . 19 1 1 A 57 57 TYR N N 57 117.968 119.504 -1.536 1
1 667 . 19 1 1 A 58 58 THR H H 58 8.458 8.561 -0.103 1
1 668 . 19 1 1 A 58 58 THR HA H 58 4.074 4.328 -0.254 1
1 673 . 19 1 1 A 58 58 THR C C 58 177.203 175.597 1.606 1
1 674 . 19 1 1 A 58 58 THR CA C 58 67.168 65.753 1.415 1
1 675 . 19 1 1 A 58 58 THR CB C 58 68.401 68.822 -0.421 1
1 677 . 19 1 1 A 58 58 THR N N 58 118.700 116.160 2.540 1
1 678 . 19 1 1 A 59 59 ASP H H 59 8.807 8.041 0.766 1
1 679 . 19 1 1 A 59 59 ASP HA H 59 4.514 4.435 0.079 1
1 682 . 19 1 1 A 59 59 ASP C C 59 179.154 178.546 0.608 1
1 683 . 19 1 1 A 59 59 ASP CA C 59 57.754 57.146 0.608 1
1 684 . 19 1 1 A 59 59 ASP CB C 59 39.801 40.807 -1.006 1
1 685 . 19 1 1 A 59 59 ASP N N 59 123.812 121.068 2.744 1
1 686 . 19 1 1 A 60 60 MET H H 60 8.085 8.587 -0.502 1
1 687 . 19 1 1 A 60 60 MET HA H 60 4.161 4.084 0.077 1
1 695 . 19 1 1 A 60 60 MET C C 60 178.378 178.561 -0.183 1
1 696 . 19 1 1 A 60 60 MET CA C 60 58.980 59.193 -0.213 1
1 697 . 19 1 1 A 60 60 MET CB C 60 34.227 32.476 1.751 1
1 700 . 19 1 1 A 60 60 MET N N 60 120.481 118.061 2.420 1
1 701 . 19 1 1 A 61 61 ALA H H 61 8.296 7.697 0.599 1
1 702 . 19 1 1 A 61 61 ALA HA H 61 4.114 4.313 -0.199 1
1 706 . 19 1 1 A 61 61 ALA C C 61 179.408 179.540 -0.132 1
1 707 . 19 1 1 A 61 61 ALA CA C 61 54.935 55.299 -0.364 1
1 708 . 19 1 1 A 61 61 ALA CB C 61 17.759 18.266 -0.507 1
1 709 . 19 1 1 A 61 61 ALA N N 61 121.147 121.302 -0.155 1
1 710 . 19 1 1 A 62 62 LYS H H 62 7.812 7.741 0.071 1
1 711 . 19 1 1 A 62 62 LYS HA H 62 4.177 3.924 0.253 1
1 720 . 19 1 1 A 62 62 LYS C C 62 177.979 178.495 -0.516 1
1 721 . 19 1 1 A 62 62 LYS CA C 62 59.289 59.770 -0.481 1
1 722 . 19 1 1 A 62 62 LYS CB C 62 32.539 32.419 0.120 1
1 726 . 19 1 1 A 62 62 LYS N N 62 119.686 118.749 0.937 1
1 727 . 19 1 1 A 63 63 GLU H H 63 7.810 8.124 -0.314 1
1 728 . 19 1 1 A 63 63 GLU HA H 63 4.216 4.066 0.150 1
1 733 . 19 1 1 A 63 63 GLU C C 63 178.597 178.617 -0.020 1
1 734 . 19 1 1 A 63 63 GLU CA C 63 58.386 58.794 -0.408 1
1 735 . 19 1 1 A 63 63 GLU CB C 63 29.644 29.779 -0.135 1
1 737 . 19 1 1 A 63 63 GLU N N 63 118.765 119.672 -0.907 1
1 738 . 19 1 1 A 64 64 TYR H H 64 8.098 8.285 -0.187 1
1 739 . 19 1 1 A 64 64 TYR HA H 64 4.395 4.264 0.131 1
1 746 . 19 1 1 A 64 64 TYR C C 64 177.639 178.239 -0.600 1
1 747 . 19 1 1 A 64 64 TYR CA C 64 60.006 61.327 -1.321 1
1 748 . 19 1 1 A 64 64 TYR CB C 64 38.198 38.032 0.166 1
1 753 . 19 1 1 A 64 64 TYR N N 64 119.914 119.700 0.214 1
1 754 . 19 1 1 A 65 65 LYS H H 65 8.225 9.596 -1.371 1
1 755 . 19 1 1 A 65 65 LYS HA H 65 4.146 3.957 0.189 1
1 764 . 19 1 1 A 65 65 LYS C C 65 177.481 178.327 -0.846 1
1 765 . 19 1 1 A 65 65 LYS CA C 65 58.793 59.855 -1.062 1
1 766 . 19 1 1 A 65 65 LYS CB C 65 32.523 31.742 0.781 1
1 770 . 19 1 1 A 65 65 LYS N N 65 122.842 122.054 0.788 1
1 771 . 19 1 1 A 66 66 ASP H H 66 8.402 8.005 0.397 1
1 772 . 19 1 1 A 66 66 ASP HA H 66 4.485 4.257 0.228 1
1 775 . 19 1 1 A 66 66 ASP C C 66 177.930 178.443 -0.513 1
1 776 . 19 1 1 A 66 66 ASP CA C 66 56.423 57.853 -1.430 1
1 777 . 19 1 1 A 66 66 ASP CB C 66 40.829 41.997 -1.168 1
1 778 . 19 1 1 A 66 66 ASP N N 66 120.424 119.402 1.022 1
1 779 . 19 1 1 A 67 67 ALA H H 67 7.989 7.883 0.106 1
1 780 . 19 1 1 A 67 67 ALA HA H 67 4.151 4.105 0.046 1
1 784 . 19 1 1 A 67 67 ALA C C 67 179.457 179.268 0.189 1
1 785 . 19 1 1 A 67 67 ALA CA C 67 54.274 55.053 -0.779 1
1 786 . 19 1 1 A 67 67 ALA CB C 67 18.499 18.556 -0.057 1
1 787 . 19 1 1 A 67 67 ALA N N 67 122.273 121.448 0.825 1
1 788 . 19 1 1 A 68 68 PHE H H 68 8.235 8.570 -0.335 1
1 789 . 19 1 1 A 68 68 PHE HA H 68 4.314 4.007 0.307 1
1 796 . 19 1 1 A 68 68 PHE C C 68 177.421 176.802 0.619 1
1 797 . 19 1 1 A 68 68 PHE CA C 68 60.193 61.774 -1.581 1
1 798 . 19 1 1 A 68 68 PHE CB C 68 39.390 39.309 0.081 1
1 803 . 19 1 1 A 68 68 PHE N N 68 119.632 119.276 0.356 1
1 804 . 19 1 1 A 69 69 MET H H 69 8.325 8.117 0.208 1
1 805 . 19 1 1 A 69 69 MET HA H 69 4.296 4.556 -0.260 1
1 813 . 19 1 1 A 69 69 MET C C 69 177.651 175.471 2.180 1
1 814 . 19 1 1 A 69 69 MET CA C 69 56.645 54.085 2.560 1
1 815 . 19 1 1 A 69 69 MET CB C 69 32.108 30.833 1.275 1
1 818 . 19 1 1 A 69 69 MET N N 69 119.223 115.628 3.595 1
1 819 . 19 1 1 A 70 70 LYS H H 70 7.864 7.923 -0.059 1
1 820 . 19 1 1 A 70 70 LYS HA H 70 4.092 4.654 -0.562 1
1 829 . 19 1 1 A 70 70 LYS C C 70 177.009 176.715 0.294 1
1 830 . 19 1 1 A 70 70 LYS CA C 70 57.769 55.327 2.442 1
1 831 . 19 1 1 A 70 70 LYS CB C 70 32.687 33.568 -0.881 1
1 835 . 19 1 1 A 70 70 LYS N N 70 120.004 125.506 -5.502 1
1 836 . 19 1 1 A 71 71 ALA H H 71 7.670 7.695 -0.025 1
1 837 . 19 1 1 A 71 71 ALA HA H 71 4.264 4.380 -0.116 1
1 841 . 19 1 1 A 71 71 ALA C C 71 177.009 177.274 -0.265 1
1 842 . 19 1 1 A 71 71 ALA CA C 71 52.603 53.272 -0.669 1
1 843 . 19 1 1 A 71 71 ALA CB C 71 19.321 20.888 -1.567 1
1 844 . 19 1 1 A 71 71 ALA N N 71 121.270 123.112 -1.842 1
1 845 . 19 1 1 A 72 72 ASN H H 72 7.846 7.920 -0.074 1
1 846 . 19 1 1 A 72 72 ASN HA H 72 4.972 4.797 0.175 1
1 851 . 19 1 1 A 72 72 ASN C C 72 172.453 175.408 -2.955 1
1 852 . 19 1 1 A 72 72 ASN CA C 72 51.185 51.973 -0.788 1
1 853 . 19 1 1 A 72 72 ASN CB C 72 39.350 38.569 0.781 1
1 854 . 19 1 1 A 72 72 ASN N N 72 117.432 116.689 0.743 1
1 856 . 19 1 1 A 73 73 PRO HA H 73 4.465 4.348 0.117 1
1 863 . 19 1 1 A 73 73 PRO C C 73 177.857 179.271 -1.414 1
1 864 . 19 1 1 A 73 73 PRO CA C 73 63.972 65.187 -1.215 1
1 865 . 19 1 1 A 73 73 PRO CB C 73 31.884 31.971 -0.087 1
1 868 . 19 1 1 A 74 74 GLY H H 74 8.538 8.505 0.033 1
1 869 . 19 1 1 A 74 74 GLY HA2 H 74 3.881 3.818 0.063 1
1 870 . 19 1 1 A 74 74 GLY HA3 H 74 3.957 3.846 0.111 1
1 871 . 19 1 1 A 74 74 GLY C C 74 174.210 174.763 -0.553 1
1 872 . 19 1 1 A 74 74 GLY CA C 74 45.216 47.238 -2.022 1
1 873 . 19 1 1 A 74 74 GLY N N 74 108.444 106.731 1.713 1
1 874 . 19 1 1 A 75 75 TYR H H 75 7.878 7.685 0.193 1
1 875 . 19 1 1 A 75 75 TYR HA H 75 4.449 4.492 -0.043 1
1 882 . 19 1 1 A 75 75 TYR C C 75 175.640 174.660 0.980 1
1 883 . 19 1 1 A 75 75 TYR CA C 75 58.778 58.949 -0.171 1
1 884 . 19 1 1 A 75 75 TYR CB C 75 38.856 39.492 -0.636 1
1 889 . 19 1 1 A 75 75 TYR N N 75 120.970 122.458 -1.488 1
1 890 . 19 1 1 A 76 76 ARG H H 76 8.039 8.494 -0.455 1
1 891 . 19 1 1 A 76 76 ARG HA H 76 4.346 4.722 -0.376 1
1 898 . 19 1 1 A 76 76 ARG C C 76 175.482 173.365 2.117 1
1 899 . 19 1 1 A 76 76 ARG CA C 76 55.510 53.599 1.911 1
1 900 . 19 1 1 A 76 76 ARG CB C 76 31.307 33.840 -2.533 1
1 903 . 19 1 1 A 76 76 ARG N N 76 124.540 122.420 2.120 1
1 904 . 19 1 1 A 77 77 SER HA H 77 4.430 5.252 -0.822 1
1 907 . 19 1 1 A 77 77 SER CA C 77 58.319 56.014 2.305 1
1 908 . 19 1 1 A 77 77 SER CB C 77 63.982 65.427 -1.445 1
1 909 . 19 1 1 A 78 78 GLY HA2 H 78 4.154 4.221 -0.067 1
1 910 . 19 1 1 A 78 78 GLY HA3 H 78 4.154 4.226 -0.072 1
1 911 . 19 1 1 A 78 78 GLY CA C 78 44.731 44.488 0.243 1
1 912 . 19 1 1 A 79 79 PRO HA H 79 4.495 4.792 -0.297 1
1 917 . 19 1 1 A 79 79 PRO CA C 79 63.366 62.378 0.988 1
1 918 . 19 1 1 A 79 79 PRO CB C 79 32.289 29.518 2.771 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.967 4.115 -0.148 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.967 4.120 -0.153 1
1 3 . 20 1 1 A 7 7 GLY C C 7 173.907 171.672 2.235 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.273 45.747 -0.474 1
1 5 . 20 1 1 A 8 8 ALA H H 8 8.092 8.236 -0.144 1
1 6 . 20 1 1 A 8 8 ALA HA H 8 4.335 4.502 -0.167 1
1 10 . 20 1 1 A 8 8 ALA C C 8 177.772 177.749 0.023 1
1 11 . 20 1 1 A 8 8 ALA CA C 8 52.468 51.121 1.347 1
1 12 . 20 1 1 A 8 8 ALA CB C 8 19.404 20.863 -1.459 1
1 13 . 20 1 1 A 8 8 ALA N N 8 123.589 121.998 1.591 1
1 14 . 20 1 1 A 9 9 ARG H H 9 8.298 8.587 -0.289 1
1 15 . 20 1 1 A 9 9 ARG HA H 9 4.348 4.427 -0.079 1
1 22 . 20 1 1 A 9 9 ARG C C 9 175.894 176.641 -0.747 1
1 23 . 20 1 1 A 9 9 ARG CA C 9 55.999 57.317 -1.318 1
1 24 . 20 1 1 A 9 9 ARG CB C 9 30.813 30.776 0.037 1
1 27 . 20 1 1 A 9 9 ARG N N 9 120.366 118.853 1.513 1
1 28 . 20 1 1 A 10 10 ARG H H 10 8.212 8.711 -0.499 1
1 29 . 20 1 1 A 10 10 ARG HA H 10 4.468 4.905 -0.437 1
1 36 . 20 1 1 A 10 10 ARG C C 10 173.810 172.582 1.228 1
1 37 . 20 1 1 A 10 10 ARG CA C 10 53.783 53.975 -0.192 1
1 38 . 20 1 1 A 10 10 ARG CB C 10 30.384 33.209 -2.825 1
1 41 . 20 1 1 A 10 10 ARG N N 10 122.690 121.777 0.913 1
1 42 . 20 1 1 A 11 11 PRO HA H 11 4.322 3.684 0.638 1
1 49 . 20 1 1 A 11 11 PRO C C 11 176.427 176.694 -0.267 1
1 50 . 20 1 1 A 11 11 PRO CA C 11 62.905 61.853 1.052 1
1 51 . 20 1 1 A 11 11 PRO CB C 11 31.929 31.848 0.081 1
1 54 . 20 1 1 A 12 12 MET H H 12 8.237 8.077 0.160 1
1 55 . 20 1 1 A 12 12 MET HA H 12 4.441 4.346 0.095 1
1 63 . 20 1 1 A 12 12 MET C C 12 175.094 175.555 -0.461 1
1 64 . 20 1 1 A 12 12 MET CA C 12 55.400 54.754 0.646 1
1 65 . 20 1 1 A 12 12 MET CB C 12 33.327 32.851 0.476 1
1 68 . 20 1 1 A 12 12 MET N N 12 120.543 119.207 1.336 1
1 69 . 20 1 1 A 13 13 ASN H H 13 7.399 8.615 -1.216 1
1 70 . 20 1 1 A 13 13 ASN HA H 13 4.650 4.862 -0.212 1
1 75 . 20 1 1 A 13 13 ASN C C 13 174.743 176.406 -1.663 1
1 76 . 20 1 1 A 13 13 ASN CA C 13 52.456 52.857 -0.401 1
1 77 . 20 1 1 A 13 13 ASN CB C 13 39.513 39.551 -0.038 1
1 78 . 20 1 1 A 13 13 ASN N N 13 118.399 123.040 -4.641 1
1 80 . 20 1 1 A 14 14 ALA H H 14 8.681 8.855 -0.174 1
1 81 . 20 1 1 A 14 14 ALA HA H 14 3.964 4.100 -0.136 1
1 85 . 20 1 1 A 14 14 ALA C C 14 177.736 179.497 -1.761 1
1 86 . 20 1 1 A 14 14 ALA CA C 14 56.221 55.470 0.751 1
1 87 . 20 1 1 A 14 14 ALA CB C 14 19.568 18.384 1.184 1
1 88 . 20 1 1 A 14 14 ALA N N 14 122.169 125.629 -3.460 1
1 89 . 20 1 1 A 15 15 PHE H H 15 8.002 7.660 0.342 1
1 90 . 20 1 1 A 15 15 PHE HA H 15 2.866 2.841 0.025 1
1 98 . 20 1 1 A 15 15 PHE C C 15 177.821 176.647 1.174 1
1 99 . 20 1 1 A 15 15 PHE CA C 15 59.132 60.566 -1.434 1
1 100 . 20 1 1 A 15 15 PHE CB C 15 38.239 38.651 -0.412 1
1 106 . 20 1 1 A 15 15 PHE N N 15 116.867 119.046 -2.179 1
1 107 . 20 1 1 A 16 16 LEU H H 16 8.264 7.979 0.285 1
1 108 . 20 1 1 A 16 16 LEU HA H 16 3.642 3.522 0.120 1
1 118 . 20 1 1 A 16 16 LEU C C 16 180.354 179.700 0.654 1
1 119 . 20 1 1 A 16 16 LEU CA C 16 58.236 56.970 1.266 1
1 120 . 20 1 1 A 16 16 LEU CB C 16 41.365 41.307 0.058 1
1 124 . 20 1 1 A 16 16 LEU N N 16 120.647 119.126 1.521 1
1 125 . 20 1 1 A 17 17 LEU H H 17 7.977 7.296 0.681 1
1 126 . 20 1 1 A 17 17 LEU HA H 17 4.065 4.136 -0.071 1
1 136 . 20 1 1 A 17 17 LEU C C 17 178.984 178.942 0.042 1
1 137 . 20 1 1 A 17 17 LEU CA C 17 58.165 57.463 0.702 1
1 138 . 20 1 1 A 17 17 LEU CB C 17 41.693 42.200 -0.507 1
1 142 . 20 1 1 A 17 17 LEU N N 17 121.855 118.680 3.175 1
1 143 . 20 1 1 A 18 18 PHE H H 18 8.136 7.854 0.282 1
1 144 . 20 1 1 A 18 18 PHE HA H 18 3.769 4.177 -0.408 1
1 150 . 20 1 1 A 18 18 PHE C C 18 179.020 177.561 1.459 1
1 151 . 20 1 1 A 18 18 PHE CA C 18 62.333 60.582 1.751 1
1 152 . 20 1 1 A 18 18 PHE CB C 18 39.122 38.915 0.207 1
1 156 . 20 1 1 A 18 18 PHE N N 18 122.907 118.022 4.885 1
1 157 . 20 1 1 A 19 19 CYS H H 19 8.520 7.406 1.114 1
1 158 . 20 1 1 A 19 19 CYS HA H 19 3.728 4.111 -0.383 1
1 161 . 20 1 1 A 19 19 CYS C C 19 176.136 176.767 -0.631 1
1 162 . 20 1 1 A 19 19 CYS CA C 19 64.313 63.402 0.911 1
1 163 . 20 1 1 A 19 19 CYS CB C 19 26.577 27.363 -0.786 1
1 164 . 20 1 1 A 19 19 CYS N N 19 119.069 117.535 1.534 1
1 165 . 20 1 1 A 20 20 LYS H H 20 7.969 7.608 0.361 1
1 166 . 20 1 1 A 20 20 LYS HA H 20 3.953 4.087 -0.134 1
1 175 . 20 1 1 A 20 20 LYS C C 20 179.133 177.597 1.536 1
1 176 . 20 1 1 A 20 20 LYS CA C 20 59.295 58.319 0.976 1
1 177 . 20 1 1 A 20 20 LYS CB C 20 32.111 32.097 0.014 1
1 181 . 20 1 1 A 20 20 LYS N N 20 119.888 120.114 -0.226 1
1 182 . 20 1 1 A 21 21 ARG H H 21 7.493 7.657 -0.164 1
1 183 . 20 1 1 A 21 21 ARG HA H 21 4.166 4.364 -0.198 1
1 190 . 20 1 1 A 21 21 ARG C C 21 177.239 177.919 -0.680 1
1 191 . 20 1 1 A 21 21 ARG CA C 21 57.575 58.269 -0.694 1
1 192 . 20 1 1 A 21 21 ARG CB C 21 30.137 31.328 -1.191 1
1 195 . 20 1 1 A 21 21 ARG N N 21 116.105 118.565 -2.460 1
1 196 . 20 1 1 A 22 22 HIS H H 22 7.354 7.775 -0.421 1
1 197 . 20 1 1 A 22 22 HIS HA H 22 4.706 4.385 0.321 1
1 201 . 20 1 1 A 22 22 HIS C C 22 175.627 176.624 -0.997 1
1 202 . 20 1 1 A 22 22 HIS CA C 22 58.593 58.892 -0.299 1
1 203 . 20 1 1 A 22 22 HIS CB C 22 30.754 29.182 1.572 1
1 205 . 20 1 1 A 22 22 HIS N N 22 113.808 117.531 -3.723 1
1 206 . 20 1 1 A 23 23 ARG H H 23 8.372 8.221 0.151 1
1 207 . 20 1 1 A 23 23 ARG HA H 23 3.793 3.844 -0.051 1
1 214 . 20 1 1 A 23 23 ARG C C 23 177.930 178.391 -0.461 1
1 215 . 20 1 1 A 23 23 ARG CA C 23 60.747 59.472 1.275 1
1 216 . 20 1 1 A 23 23 ARG CB C 23 29.251 30.416 -1.165 1
1 219 . 20 1 1 A 23 23 ARG N N 23 123.560 120.578 2.982 1
1 220 . 20 1 1 A 24 24 SER HA H 24 4.163 4.153 0.010 1
1 223 . 20 1 1 A 24 24 SER CA C 24 61.523 61.685 -0.162 1
1 224 . 20 1 1 A 24 24 SER CB C 24 62.116 63.056 -0.940 1
1 225 . 20 1 1 A 25 25 LEU H H 25 7.504 8.101 -0.597 1
1 226 . 20 1 1 A 25 25 LEU HA H 25 4.265 4.035 0.230 1
1 236 . 20 1 1 A 25 25 LEU C C 25 179.336 178.758 0.578 1
1 237 . 20 1 1 A 25 25 LEU CA C 25 57.837 58.745 -0.908 1
1 238 . 20 1 1 A 25 25 LEU CB C 25 41.470 42.051 -0.581 1
1 242 . 20 1 1 A 25 25 LEU N N 25 124.174 122.106 2.068 1
1 243 . 20 1 1 A 26 26 VAL H H 26 7.802 8.450 -0.648 1
1 244 . 20 1 1 A 26 26 VAL HA H 26 3.833 3.582 0.251 1
1 252 . 20 1 1 A 26 26 VAL C C 26 177.712 177.941 -0.229 1
1 253 . 20 1 1 A 26 26 VAL CA C 26 66.662 67.099 -0.437 1
1 254 . 20 1 1 A 26 26 VAL CB C 26 31.670 31.290 0.380 1
1 257 . 20 1 1 A 26 26 VAL N N 26 119.266 119.231 0.035 1
1 258 . 20 1 1 A 27 27 ARG H H 27 7.922 8.243 -0.321 1
1 259 . 20 1 1 A 27 27 ARG HA H 27 4.043 4.020 0.023 1
1 266 . 20 1 1 A 27 27 ARG C C 27 177.785 178.959 -1.174 1
1 267 . 20 1 1 A 27 27 ARG CA C 27 58.683 60.265 -1.582 1
1 268 . 20 1 1 A 27 27 ARG CB C 27 29.720 29.918 -0.198 1
1 271 . 20 1 1 A 27 27 ARG N N 27 118.035 119.220 -1.185 1
1 272 . 20 1 1 A 28 28 GLN H H 28 7.707 8.596 -0.889 1
1 273 . 20 1 1 A 28 28 GLN HA H 28 4.092 4.073 0.019 1
1 280 . 20 1 1 A 28 28 GLN C C 28 177.785 178.850 -1.065 1
1 281 . 20 1 1 A 28 28 GLN CA C 28 58.233 58.968 -0.735 1
1 282 . 20 1 1 A 28 28 GLN CB C 28 29.191 28.502 0.689 1
1 284 . 20 1 1 A 28 28 GLN N N 28 116.893 119.025 -2.132 1
1 286 . 20 1 1 A 29 29 GLU H H 29 7.864 8.314 -0.450 1
1 287 . 20 1 1 A 29 29 GLU HA H 29 4.131 4.082 0.049 1
1 292 . 20 1 1 A 29 29 GLU C C 29 176.246 176.282 -0.036 1
1 293 . 20 1 1 A 29 29 GLU CA C 29 57.808 58.374 -0.566 1
1 294 . 20 1 1 A 29 29 GLU CB C 29 31.004 29.380 1.624 1
1 296 . 20 1 1 A 29 29 GLU N N 29 116.949 119.125 -2.176 1
1 297 . 20 1 1 A 30 30 HIS H H 30 8.058 8.177 -0.119 1
1 298 . 20 1 1 A 30 30 HIS HA H 30 5.071 5.100 -0.029 1
1 303 . 20 1 1 A 30 30 HIS C C 30 173.519 174.020 -0.501 1
1 304 . 20 1 1 A 30 30 HIS CA C 30 53.347 53.365 -0.018 1
1 305 . 20 1 1 A 30 30 HIS CB C 30 30.649 29.800 0.849 1
1 308 . 20 1 1 A 30 30 HIS N N 30 116.711 117.054 -0.343 1
1 309 . 20 1 1 A 31 31 PRO HA H 31 4.648 4.521 0.127 1
1 316 . 20 1 1 A 31 31 PRO C C 31 178.197 178.472 -0.275 1
1 317 . 20 1 1 A 31 31 PRO CA C 31 64.911 64.827 0.084 1
1 318 . 20 1 1 A 31 31 PRO CB C 31 32.458 32.086 0.372 1
1 321 . 20 1 1 A 32 32 ARG H H 32 8.617 8.564 0.053 1
1 322 . 20 1 1 A 32 32 ARG HA H 32 4.406 4.107 0.299 1
1 329 . 20 1 1 A 32 32 ARG C C 32 176.815 177.391 -0.576 1
1 330 . 20 1 1 A 32 32 ARG CA C 32 55.959 58.448 -2.489 1
1 331 . 20 1 1 A 32 32 ARG CB C 32 29.808 30.142 -0.334 1
1 334 . 20 1 1 A 32 32 ARG N N 32 116.125 118.100 -1.975 1
1 335 . 20 1 1 A 33 33 LEU H H 33 7.421 7.615 -0.194 1
1 336 . 20 1 1 A 33 33 LEU HA H 33 4.409 4.254 0.155 1
1 346 . 20 1 1 A 33 33 LEU C C 33 177.349 176.463 0.886 1
1 347 . 20 1 1 A 33 33 LEU CA C 33 55.140 54.889 0.251 1
1 348 . 20 1 1 A 33 33 LEU CB C 33 43.420 42.362 1.058 1
1 352 . 20 1 1 A 33 33 LEU N N 33 120.576 121.425 -0.849 1
1 353 . 20 1 1 A 34 34 ASP H H 34 8.168 8.764 -0.596 1
1 354 . 20 1 1 A 34 34 ASP HA H 34 4.646 4.886 -0.240 1
1 357 . 20 1 1 A 34 34 ASP C C 34 175.821 175.841 -0.020 1
1 358 . 20 1 1 A 34 34 ASP CA C 34 52.415 52.489 -0.074 1
1 359 . 20 1 1 A 34 34 ASP CB C 34 41.177 41.160 0.017 1
1 360 . 20 1 1 A 34 34 ASP N N 34 122.502 123.179 -0.677 1
1 361 . 20 1 1 A 35 35 ASN HA H 35 4.395 4.588 -0.193 1
1 366 . 20 1 1 A 35 35 ASN CA C 35 57.033 55.330 1.703 1
1 367 . 20 1 1 A 35 35 ASN CB C 35 38.344 38.124 0.220 1
1 369 . 20 1 1 A 36 36 ARG HA H 36 4.096 4.022 0.074 1
1 376 . 20 1 1 A 36 36 ARG C C 36 179.554 178.598 0.956 1
1 377 . 20 1 1 A 36 36 ARG CA C 36 59.527 59.492 0.035 1
1 378 . 20 1 1 A 36 36 ARG CB C 36 29.626 29.965 -0.339 1
1 381 . 20 1 1 A 37 37 GLY H H 37 8.618 8.177 0.441 1
1 382 . 20 1 1 A 37 37 GLY HA2 H 37 3.888 3.731 0.157 1
1 383 . 20 1 1 A 37 37 GLY HA3 H 37 3.754 3.732 0.022 1
1 384 . 20 1 1 A 37 37 GLY C C 37 176.597 175.972 0.625 1
1 385 . 20 1 1 A 37 37 GLY CA C 37 47.048 47.246 -0.198 1
1 386 . 20 1 1 A 37 37 GLY N N 37 110.017 107.031 2.986 1
1 387 . 20 1 1 A 38 38 ALA H H 38 8.619 8.011 0.608 1
1 388 . 20 1 1 A 38 38 ALA HA H 38 3.945 3.885 0.060 1
1 392 . 20 1 1 A 38 38 ALA C C 38 178.924 179.720 -0.796 1
1 393 . 20 1 1 A 38 38 ALA CA C 38 55.123 54.641 0.482 1
1 394 . 20 1 1 A 38 38 ALA CB C 38 18.046 18.243 -0.197 1
1 395 . 20 1 1 A 38 38 ALA N N 38 124.889 124.364 0.525 1
1 396 . 20 1 1 A 39 39 THR H H 39 8.239 8.360 -0.121 1
1 397 . 20 1 1 A 39 39 THR HA H 39 3.895 3.734 0.161 1
1 402 . 20 1 1 A 39 39 THR C C 39 175.252 176.658 -1.406 1
1 403 . 20 1 1 A 39 39 THR CA C 39 66.889 67.168 -0.279 1
1 404 . 20 1 1 A 39 39 THR CB C 39 68.607 69.274 -0.667 1
1 406 . 20 1 1 A 39 39 THR N N 39 114.810 115.010 -0.200 1
1 407 . 20 1 1 A 40 40 LYS H H 40 7.518 8.231 -0.713 1
1 408 . 20 1 1 A 40 40 LYS HA H 40 4.098 4.127 -0.029 1
1 417 . 20 1 1 A 40 40 LYS C C 40 178.330 178.713 -0.383 1
1 418 . 20 1 1 A 40 40 LYS CA C 40 59.746 58.455 1.291 1
1 419 . 20 1 1 A 40 40 LYS CB C 40 32.106 32.390 -0.284 1
1 423 . 20 1 1 A 40 40 LYS N N 40 122.046 120.446 1.600 1
1 424 . 20 1 1 A 41 41 ILE H H 41 7.218 7.992 -0.774 1
1 425 . 20 1 1 A 41 41 ILE HA H 41 3.722 3.691 0.031 1
1 435 . 20 1 1 A 41 41 ILE C C 41 178.197 177.937 0.260 1
1 436 . 20 1 1 A 41 41 ILE CA C 41 64.055 64.033 0.022 1
1 437 . 20 1 1 A 41 41 ILE CB C 41 36.482 37.269 -0.787 1
1 441 . 20 1 1 A 41 41 ILE N N 41 119.019 118.951 0.068 1
1 442 . 20 1 1 A 42 42 LEU H H 42 7.940 8.369 -0.429 1
1 443 . 20 1 1 A 42 42 LEU HA H 42 3.988 3.866 0.122 1
1 453 . 20 1 1 A 42 42 LEU C C 42 179.251 179.006 0.245 1
1 454 . 20 1 1 A 42 42 LEU CA C 42 58.605 57.942 0.663 1
1 455 . 20 1 1 A 42 42 LEU CB C 42 41.694 41.583 0.111 1
1 459 . 20 1 1 A 42 42 LEU N N 42 119.163 119.716 -0.553 1
1 460 . 20 1 1 A 43 43 ALA H H 43 8.732 8.461 0.271 1
1 461 . 20 1 1 A 43 43 ALA HA H 43 4.222 4.351 -0.129 1
1 465 . 20 1 1 A 43 43 ALA C C 43 180.899 179.255 1.644 1
1 466 . 20 1 1 A 43 43 ALA CA C 43 55.699 55.696 0.003 1
1 467 . 20 1 1 A 43 43 ALA CB C 43 17.859 18.711 -0.852 1
1 468 . 20 1 1 A 43 43 ALA N N 43 122.225 121.475 0.750 1
1 469 . 20 1 1 A 44 44 ASP H H 44 8.350 8.001 0.349 1
1 470 . 20 1 1 A 44 44 ASP HA H 44 4.545 4.394 0.151 1
1 473 . 20 1 1 A 44 44 ASP C C 44 179.227 178.662 0.565 1
1 474 . 20 1 1 A 44 44 ASP CA C 44 57.507 57.544 -0.037 1
1 475 . 20 1 1 A 44 44 ASP CB C 44 39.719 41.149 -1.430 1
1 476 . 20 1 1 A 44 44 ASP N N 44 122.950 118.364 4.586 1
1 477 . 20 1 1 A 45 45 TRP H H 45 8.831 8.398 0.433 1
1 478 . 20 1 1 A 45 45 TRP HA H 45 4.692 4.455 0.237 1
1 487 . 20 1 1 A 45 45 TRP C C 45 179.057 178.973 0.084 1
1 488 . 20 1 1 A 45 45 TRP CA C 45 58.008 60.067 -2.059 1
1 489 . 20 1 1 A 45 45 TRP CB C 45 29.520 29.990 -0.470 1
1 495 . 20 1 1 A 45 45 TRP N N 45 122.321 119.846 2.475 1
1 497 . 20 1 1 A 46 46 TRP H H 46 8.921 8.910 0.011 1
1 498 . 20 1 1 A 46 46 TRP HA H 46 3.733 3.522 0.211 1
1 507 . 20 1 1 A 46 46 TRP C C 46 177.664 177.587 0.077 1
1 508 . 20 1 1 A 46 46 TRP CA C 46 59.279 61.007 -1.728 1
1 509 . 20 1 1 A 46 46 TRP CB C 46 30.508 29.136 1.372 1
1 515 . 20 1 1 A 46 46 TRP N N 46 120.243 121.712 -1.469 1
1 517 . 20 1 1 A 47 47 ALA H H 47 7.918 9.389 -1.471 1
1 518 . 20 1 1 A 47 47 ALA HA H 47 3.918 3.996 -0.078 1
1 522 . 20 1 1 A 47 47 ALA C C 47 179.978 178.114 1.864 1
1 523 . 20 1 1 A 47 47 ALA CA C 47 55.011 55.068 -0.057 1
1 524 . 20 1 1 A 47 47 ALA CB C 47 18.581 18.617 -0.036 1
1 525 . 20 1 1 A 47 47 ALA N N 47 117.935 120.896 -2.961 1
1 526 . 20 1 1 A 48 48 VAL H H 48 7.106 7.347 -0.241 1
1 527 . 20 1 1 A 48 48 VAL HA H 48 4.378 4.357 0.021 1
1 535 . 20 1 1 A 48 48 VAL C C 48 175.627 174.648 0.979 1
1 536 . 20 1 1 A 48 48 VAL CA C 48 60.641 60.409 0.232 1
1 537 . 20 1 1 A 48 48 VAL CB C 48 31.865 31.517 0.348 1
1 540 . 20 1 1 A 48 48 VAL N N 48 107.757 108.503 -0.746 1
1 541 . 20 1 1 A 49 49 LEU H H 49 7.008 7.430 -0.422 1
1 542 . 20 1 1 A 49 49 LEU HA H 49 3.948 5.119 -1.171 1
1 552 . 20 1 1 A 49 49 LEU C C 49 176.258 174.444 1.814 1
1 553 . 20 1 1 A 49 49 LEU CA C 49 55.032 53.149 1.883 1
1 554 . 20 1 1 A 49 49 LEU CB C 49 42.822 45.089 -2.267 1
1 558 . 20 1 1 A 49 49 LEU N N 49 125.594 124.843 0.751 1
1 559 . 20 1 1 A 50 50 ASP H H 50 8.485 8.704 -0.219 1
1 560 . 20 1 1 A 50 50 ASP HA H 50 4.643 4.726 -0.083 1
1 563 . 20 1 1 A 50 50 ASP CA C 50 52.855 52.780 0.075 1
1 564 . 20 1 1 A 50 50 ASP CB C 50 42.605 40.827 1.778 1
1 565 . 20 1 1 A 51 51 PRO HA H 51 4.025 4.267 -0.242 1
1 572 . 20 1 1 A 51 51 PRO C C 51 179.166 178.935 0.231 1
1 573 . 20 1 1 A 51 51 PRO CA C 51 65.861 65.894 -0.033 1
1 574 . 20 1 1 A 51 51 PRO CB C 51 32.458 31.445 1.013 1
1 577 . 20 1 1 A 52 52 LYS H H 52 8.866 8.285 0.581 1
1 578 . 20 1 1 A 52 52 LYS HA H 52 4.165 3.974 0.191 1
1 585 . 20 1 1 A 52 52 LYS C C 52 179.542 179.307 0.235 1
1 586 . 20 1 1 A 52 52 LYS CA C 52 59.484 59.791 -0.307 1
1 587 . 20 1 1 A 52 52 LYS CB C 52 31.906 32.243 -0.337 1
1 591 . 20 1 1 A 52 52 LYS N N 52 118.625 118.090 0.535 1
1 592 . 20 1 1 A 53 53 GLU H H 53 7.727 8.350 -0.623 1
1 593 . 20 1 1 A 53 53 GLU HA H 53 4.343 4.045 0.298 1
1 598 . 20 1 1 A 53 53 GLU C C 53 179.335 179.655 -0.320 1
1 599 . 20 1 1 A 53 53 GLU CA C 53 58.355 59.518 -1.163 1
1 600 . 20 1 1 A 53 53 GLU CB C 53 29.726 29.354 0.372 1
1 602 . 20 1 1 A 53 53 GLU N N 53 120.460 119.823 0.637 1
1 603 . 20 1 1 A 54 54 LYS H H 54 8.194 7.516 0.678 1
1 604 . 20 1 1 A 54 54 LYS HA H 54 3.949 4.419 -0.470 1
1 613 . 20 1 1 A 54 54 LYS C C 54 179.566 179.234 0.332 1
1 614 . 20 1 1 A 54 54 LYS CA C 54 60.920 60.047 0.873 1
1 615 . 20 1 1 A 54 54 LYS CB C 54 32.481 32.065 0.416 1
1 619 . 20 1 1 A 54 54 LYS N N 54 118.859 118.768 0.091 1
1 620 . 20 1 1 A 55 55 GLN H H 55 7.965 9.121 -1.156 1
1 621 . 20 1 1 A 55 55 GLN HA H 55 4.025 4.025 0.000 1
1 628 . 20 1 1 A 55 55 GLN C C 55 177.154 178.666 -1.512 1
1 629 . 20 1 1 A 55 55 GLN CA C 55 58.064 59.628 -1.564 1
1 630 . 20 1 1 A 55 55 GLN CB C 55 28.163 28.183 -0.020 1
1 632 . 20 1 1 A 55 55 GLN N N 55 117.922 119.917 -1.995 1
1 634 . 20 1 1 A 56 56 LYS H H 56 7.483 8.063 -0.580 1
1 635 . 20 1 1 A 56 56 LYS HA H 56 4.205 4.043 0.162 1
1 644 . 20 1 1 A 56 56 LYS C C 56 179.772 178.749 1.023 1
1 645 . 20 1 1 A 56 56 LYS CA C 56 59.671 59.013 0.658 1
1 646 . 20 1 1 A 56 56 LYS CB C 56 31.700 32.190 -0.490 1
1 650 . 20 1 1 A 56 56 LYS N N 56 118.491 120.137 -1.646 1
1 651 . 20 1 1 A 57 57 TYR H H 57 7.707 8.591 -0.884 1
1 652 . 20 1 1 A 57 57 TYR HA H 57 4.344 4.484 -0.140 1
1 659 . 20 1 1 A 57 57 TYR C C 57 177.966 178.985 -1.019 1
1 660 . 20 1 1 A 57 57 TYR CA C 57 62.784 60.122 2.662 1
1 661 . 20 1 1 A 57 57 TYR CB C 57 38.973 38.160 0.813 1
1 666 . 20 1 1 A 57 57 TYR N N 57 117.968 119.758 -1.790 1
1 667 . 20 1 1 A 58 58 THR H H 58 8.458 9.123 -0.665 1
1 668 . 20 1 1 A 58 58 THR HA H 58 4.074 4.294 -0.220 1
1 673 . 20 1 1 A 58 58 THR C C 58 177.203 176.306 0.897 1
1 674 . 20 1 1 A 58 58 THR CA C 58 67.168 66.105 1.063 1
1 675 . 20 1 1 A 58 58 THR CB C 58 68.401 68.653 -0.252 1
1 677 . 20 1 1 A 58 58 THR N N 58 118.700 115.576 3.124 1
1 678 . 20 1 1 A 59 59 ASP H H 59 8.807 7.971 0.836 1
1 679 . 20 1 1 A 59 59 ASP HA H 59 4.514 4.464 0.050 1
1 682 . 20 1 1 A 59 59 ASP C C 59 179.154 178.394 0.760 1
1 683 . 20 1 1 A 59 59 ASP CA C 59 57.754 56.951 0.803 1
1 684 . 20 1 1 A 59 59 ASP CB C 59 39.801 41.243 -1.442 1
1 685 . 20 1 1 A 59 59 ASP N N 59 123.812 121.143 2.669 1
1 686 . 20 1 1 A 60 60 MET H H 60 8.085 8.056 0.029 1
1 687 . 20 1 1 A 60 60 MET HA H 60 4.161 4.189 -0.028 1
1 695 . 20 1 1 A 60 60 MET C C 60 178.378 178.720 -0.342 1
1 696 . 20 1 1 A 60 60 MET CA C 60 58.980 58.896 0.084 1
1 697 . 20 1 1 A 60 60 MET CB C 60 34.227 32.532 1.695 1
1 700 . 20 1 1 A 60 60 MET N N 60 120.481 117.919 2.562 1
1 701 . 20 1 1 A 61 61 ALA H H 61 8.296 8.024 0.272 1
1 702 . 20 1 1 A 61 61 ALA HA H 61 4.114 4.190 -0.076 1
1 706 . 20 1 1 A 61 61 ALA C C 61 179.408 179.207 0.201 1
1 707 . 20 1 1 A 61 61 ALA CA C 61 54.935 55.440 -0.505 1
1 708 . 20 1 1 A 61 61 ALA CB C 61 17.759 18.374 -0.615 1
1 709 . 20 1 1 A 61 61 ALA N N 61 121.147 121.351 -0.204 1
1 710 . 20 1 1 A 62 62 LYS H H 62 7.812 7.808 0.004 1
1 711 . 20 1 1 A 62 62 LYS HA H 62 4.177 4.070 0.107 1
1 720 . 20 1 1 A 62 62 LYS C C 62 177.979 178.008 -0.029 1
1 721 . 20 1 1 A 62 62 LYS CA C 62 59.289 59.612 -0.323 1
1 722 . 20 1 1 A 62 62 LYS CB C 62 32.539 32.148 0.391 1
1 726 . 20 1 1 A 62 62 LYS N N 62 119.686 118.305 1.381 1
1 727 . 20 1 1 A 63 63 GLU H H 63 7.810 8.038 -0.228 1
1 728 . 20 1 1 A 63 63 GLU HA H 63 4.216 4.039 0.177 1
1 733 . 20 1 1 A 63 63 GLU C C 63 178.597 178.933 -0.336 1
1 734 . 20 1 1 A 63 63 GLU CA C 63 58.386 59.319 -0.933 1
1 735 . 20 1 1 A 63 63 GLU CB C 63 29.644 29.604 0.040 1
1 737 . 20 1 1 A 63 63 GLU N N 63 118.765 119.864 -1.099 1
1 738 . 20 1 1 A 64 64 TYR H H 64 8.098 8.361 -0.263 1
1 739 . 20 1 1 A 64 64 TYR HA H 64 4.395 4.270 0.125 1
1 746 . 20 1 1 A 64 64 TYR C C 64 177.639 178.246 -0.607 1
1 747 . 20 1 1 A 64 64 TYR CA C 64 60.006 61.764 -1.758 1
1 748 . 20 1 1 A 64 64 TYR CB C 64 38.198 38.250 -0.052 1
1 753 . 20 1 1 A 64 64 TYR N N 64 119.914 119.934 -0.020 1
1 754 . 20 1 1 A 65 65 LYS H H 65 8.225 9.607 -1.382 1
1 755 . 20 1 1 A 65 65 LYS HA H 65 4.146 4.054 0.092 1
1 764 . 20 1 1 A 65 65 LYS C C 65 177.481 178.123 -0.642 1
1 765 . 20 1 1 A 65 65 LYS CA C 65 58.793 59.780 -0.987 1
1 766 . 20 1 1 A 65 65 LYS CB C 65 32.523 32.307 0.216 1
1 770 . 20 1 1 A 65 65 LYS N N 65 122.842 120.721 2.121 1
1 771 . 20 1 1 A 66 66 ASP H H 66 8.402 8.016 0.386 1
1 772 . 20 1 1 A 66 66 ASP HA H 66 4.485 4.339 0.146 1
1 775 . 20 1 1 A 66 66 ASP C C 66 177.930 178.088 -0.158 1
1 776 . 20 1 1 A 66 66 ASP CA C 66 56.423 57.767 -1.344 1
1 777 . 20 1 1 A 66 66 ASP CB C 66 40.829 41.530 -0.701 1
1 778 . 20 1 1 A 66 66 ASP N N 66 120.424 119.366 1.058 1
1 779 . 20 1 1 A 67 67 ALA H H 67 7.989 7.814 0.175 1
1 780 . 20 1 1 A 67 67 ALA HA H 67 4.151 4.121 0.030 1
1 784 . 20 1 1 A 67 67 ALA C C 67 179.457 179.294 0.163 1
1 785 . 20 1 1 A 67 67 ALA CA C 67 54.274 55.070 -0.796 1
1 786 . 20 1 1 A 67 67 ALA CB C 67 18.499 19.008 -0.509 1
1 787 . 20 1 1 A 67 67 ALA N N 67 122.273 121.614 0.659 1
1 788 . 20 1 1 A 68 68 PHE H H 68 8.235 9.898 -1.663 1
1 789 . 20 1 1 A 68 68 PHE HA H 68 4.314 3.984 0.330 1
1 796 . 20 1 1 A 68 68 PHE C C 68 177.421 176.998 0.423 1
1 797 . 20 1 1 A 68 68 PHE CA C 68 60.193 62.010 -1.817 1
1 798 . 20 1 1 A 68 68 PHE CB C 68 39.390 39.265 0.125 1
1 803 . 20 1 1 A 68 68 PHE N N 68 119.632 119.264 0.368 1
1 804 . 20 1 1 A 69 69 MET H H 69 8.325 8.282 0.043 1
1 805 . 20 1 1 A 69 69 MET HA H 69 4.296 4.393 -0.097 1
1 813 . 20 1 1 A 69 69 MET C C 69 177.651 175.533 2.118 1
1 814 . 20 1 1 A 69 69 MET CA C 69 56.645 54.070 2.575 1
1 815 . 20 1 1 A 69 69 MET CB C 69 32.108 30.681 1.427 1
1 818 . 20 1 1 A 69 69 MET N N 69 119.223 115.646 3.577 1
1 819 . 20 1 1 A 70 70 LYS H H 70 7.864 8.280 -0.416 1
1 820 . 20 1 1 A 70 70 LYS HA H 70 4.092 4.525 -0.433 1
1 829 . 20 1 1 A 70 70 LYS C C 70 177.009 175.904 1.105 1
1 830 . 20 1 1 A 70 70 LYS CA C 70 57.769 57.663 0.106 1
1 831 . 20 1 1 A 70 70 LYS CB C 70 32.687 34.702 -2.015 1
1 835 . 20 1 1 A 70 70 LYS N N 70 120.004 126.127 -6.123 1
1 836 . 20 1 1 A 71 71 ALA H H 71 7.670 8.114 -0.444 1
1 837 . 20 1 1 A 71 71 ALA HA H 71 4.264 4.331 -0.067 1
1 841 . 20 1 1 A 71 71 ALA C C 71 177.009 175.271 1.738 1
1 842 . 20 1 1 A 71 71 ALA CA C 71 52.603 51.658 0.945 1
1 843 . 20 1 1 A 71 71 ALA CB C 71 19.321 17.436 1.885 1
1 844 . 20 1 1 A 71 71 ALA N N 71 121.270 122.519 -1.249 1
1 845 . 20 1 1 A 72 72 ASN H H 72 7.846 7.787 0.059 1
1 846 . 20 1 1 A 72 72 ASN HA H 72 4.972 5.235 -0.263 1
1 851 . 20 1 1 A 72 72 ASN C C 72 172.453 174.526 -2.073 1
1 852 . 20 1 1 A 72 72 ASN CA C 72 51.185 49.266 1.919 1
1 853 . 20 1 1 A 72 72 ASN CB C 72 39.350 41.083 -1.733 1
1 854 . 20 1 1 A 72 72 ASN N N 72 117.432 118.669 -1.237 1
1 856 . 20 1 1 A 73 73 PRO HA H 73 4.465 4.312 0.153 1
1 863 . 20 1 1 A 73 73 PRO C C 73 177.857 178.881 -1.024 1
1 864 . 20 1 1 A 73 73 PRO CA C 73 63.972 65.344 -1.372 1
1 865 . 20 1 1 A 73 73 PRO CB C 73 31.884 32.054 -0.170 1
1 868 . 20 1 1 A 74 74 GLY H H 74 8.538 8.379 0.159 1
1 869 . 20 1 1 A 74 74 GLY HA2 H 74 3.881 4.098 -0.217 1
1 870 . 20 1 1 A 74 74 GLY HA3 H 74 3.957 4.112 -0.155 1
1 871 . 20 1 1 A 74 74 GLY C C 74 174.210 173.926 0.284 1
1 872 . 20 1 1 A 74 74 GLY CA C 74 45.216 44.476 0.740 1
1 873 . 20 1 1 A 74 74 GLY N N 74 108.444 106.559 1.885 1
1 874 . 20 1 1 A 75 75 TYR H H 75 7.878 8.876 -0.998 1
1 875 . 20 1 1 A 75 75 TYR HA H 75 4.449 4.474 -0.025 1
1 882 . 20 1 1 A 75 75 TYR C C 75 175.640 173.484 2.156 1
1 883 . 20 1 1 A 75 75 TYR CA C 75 58.778 58.495 0.283 1
1 884 . 20 1 1 A 75 75 TYR CB C 75 38.856 38.118 0.738 1
1 889 . 20 1 1 A 75 75 TYR N N 75 120.970 120.052 0.918 1
1 890 . 20 1 1 A 76 76 ARG H H 76 8.039 7.282 0.757 1
1 891 . 20 1 1 A 76 76 ARG HA H 76 4.346 4.518 -0.172 1
1 898 . 20 1 1 A 76 76 ARG C C 76 175.482 173.810 1.672 1
1 899 . 20 1 1 A 76 76 ARG CA C 76 55.510 55.604 -0.094 1
1 900 . 20 1 1 A 76 76 ARG CB C 76 31.307 32.838 -1.531 1
1 903 . 20 1 1 A 76 76 ARG N N 76 124.540 125.308 -0.768 1
1 904 . 20 1 1 A 77 77 SER HA H 77 4.430 4.251 0.179 1
1 907 . 20 1 1 A 77 77 SER CA C 77 58.319 57.411 0.908 1
1 908 . 20 1 1 A 77 77 SER CB C 77 63.982 62.429 1.553 1
1 909 . 20 1 1 A 78 78 GLY HA2 H 78 4.154 3.965 0.189 1
1 910 . 20 1 1 A 78 78 GLY HA3 H 78 4.154 3.971 0.183 1
1 911 . 20 1 1 A 78 78 GLY CA C 78 44.731 44.185 0.546 1
1 912 . 20 1 1 A 79 79 PRO HA H 79 4.495 4.593 -0.098 1
1 917 . 20 1 1 A 79 79 PRO CA C 79 63.366 62.749 0.617 1
1 918 . 20 1 1 A 79 79 PRO CB C 79 32.289 32.682 -0.393 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 67 1.051 1
2 1 1 1 "RMS(OBS, PRED)" CA 73 1.128 1
3 1 1 1 "RMS(OBS, PRED)" CB 69 1.155 1
4 1 1 1 "RMS(OBS, PRED)" H 62 0.613 1
5 1 1 1 "RMS(OBS, PRED)" HA 77 0.313 1
6 1 1 1 "RMS(OBS, PRED)" N 61 2.450 1
7 1 2 1 "RMS(OBS, PRED)" C 67 0.982 1
8 1 2 1 "RMS(OBS, PRED)" CA 73 0.966 1
9 1 2 1 "RMS(OBS, PRED)" CB 69 0.947 1
10 1 2 1 "RMS(OBS, PRED)" H 62 0.535 1
11 1 2 1 "RMS(OBS, PRED)" HA 77 0.258 1
12 1 2 1 "RMS(OBS, PRED)" N 61 2.097 1
13 1 3 1 "RMS(OBS, PRED)" C 67 1.041 1
14 1 3 1 "RMS(OBS, PRED)" CA 73 1.346 1
15 1 3 1 "RMS(OBS, PRED)" CB 69 1.017 1
16 1 3 1 "RMS(OBS, PRED)" H 62 0.625 1
17 1 3 1 "RMS(OBS, PRED)" HA 77 0.259 1
18 1 3 1 "RMS(OBS, PRED)" N 61 2.313 1
19 1 4 1 "RMS(OBS, PRED)" C 67 0.966 1
20 1 4 1 "RMS(OBS, PRED)" CA 73 1.151 1
21 1 4 1 "RMS(OBS, PRED)" CB 69 1.230 1
22 1 4 1 "RMS(OBS, PRED)" H 62 0.625 1
23 1 4 1 "RMS(OBS, PRED)" HA 77 0.291 1
24 1 4 1 "RMS(OBS, PRED)" N 61 2.421 1
25 1 5 1 "RMS(OBS, PRED)" C 67 0.887 1
26 1 5 1 "RMS(OBS, PRED)" CA 73 1.190 1
27 1 5 1 "RMS(OBS, PRED)" CB 69 0.942 1
28 1 5 1 "RMS(OBS, PRED)" H 62 0.576 1
29 1 5 1 "RMS(OBS, PRED)" HA 77 0.272 1
30 1 5 1 "RMS(OBS, PRED)" N 61 2.253 1
31 1 6 1 "RMS(OBS, PRED)" C 67 0.940 1
32 1 6 1 "RMS(OBS, PRED)" CA 73 1.212 1
33 1 6 1 "RMS(OBS, PRED)" CB 69 0.972 1
34 1 6 1 "RMS(OBS, PRED)" H 62 0.614 1
35 1 6 1 "RMS(OBS, PRED)" HA 77 0.258 1
36 1 6 1 "RMS(OBS, PRED)" N 61 2.188 1
37 1 7 1 "RMS(OBS, PRED)" C 67 1.001 1
38 1 7 1 "RMS(OBS, PRED)" CA 73 1.112 1
39 1 7 1 "RMS(OBS, PRED)" CB 69 0.998 1
40 1 7 1 "RMS(OBS, PRED)" H 62 0.556 1
41 1 7 1 "RMS(OBS, PRED)" HA 77 0.286 1
42 1 7 1 "RMS(OBS, PRED)" N 61 2.002 1
43 1 8 1 "RMS(OBS, PRED)" C 67 1.071 1
44 1 8 1 "RMS(OBS, PRED)" CA 73 1.133 1
45 1 8 1 "RMS(OBS, PRED)" CB 69 0.993 1
46 1 8 1 "RMS(OBS, PRED)" H 62 0.566 1
47 1 8 1 "RMS(OBS, PRED)" HA 77 0.268 1
48 1 8 1 "RMS(OBS, PRED)" N 61 2.246 1
49 1 9 1 "RMS(OBS, PRED)" C 67 0.916 1
50 1 9 1 "RMS(OBS, PRED)" CA 73 1.262 1
51 1 9 1 "RMS(OBS, PRED)" CB 69 0.997 1
52 1 9 1 "RMS(OBS, PRED)" H 62 0.628 1
53 1 9 1 "RMS(OBS, PRED)" HA 77 0.308 1
54 1 9 1 "RMS(OBS, PRED)" N 61 2.622 1
55 1 10 1 "RMS(OBS, PRED)" C 67 1.051 1
56 1 10 1 "RMS(OBS, PRED)" CA 73 1.174 1
57 1 10 1 "RMS(OBS, PRED)" CB 69 1.195 1
58 1 10 1 "RMS(OBS, PRED)" H 62 0.616 1
59 1 10 1 "RMS(OBS, PRED)" HA 77 0.280 1
60 1 10 1 "RMS(OBS, PRED)" N 61 2.620 1
61 1 11 1 "RMS(OBS, PRED)" C 67 0.958 1
62 1 11 1 "RMS(OBS, PRED)" CA 73 1.117 1
63 1 11 1 "RMS(OBS, PRED)" CB 69 1.146 1
64 1 11 1 "RMS(OBS, PRED)" H 62 0.618 1
65 1 11 1 "RMS(OBS, PRED)" HA 77 0.299 1
66 1 11 1 "RMS(OBS, PRED)" N 61 1.964 1
67 1 12 1 "RMS(OBS, PRED)" C 67 0.995 1
68 1 12 1 "RMS(OBS, PRED)" CA 73 1.102 1
69 1 12 1 "RMS(OBS, PRED)" CB 69 1.009 1
70 1 12 1 "RMS(OBS, PRED)" H 62 0.540 1
71 1 12 1 "RMS(OBS, PRED)" HA 77 0.276 1
72 1 12 1 "RMS(OBS, PRED)" N 61 1.931 1
73 1 13 1 "RMS(OBS, PRED)" C 67 0.943 1
74 1 13 1 "RMS(OBS, PRED)" CA 73 1.121 1
75 1 13 1 "RMS(OBS, PRED)" CB 69 0.877 1
76 1 13 1 "RMS(OBS, PRED)" H 62 0.617 1
77 1 13 1 "RMS(OBS, PRED)" HA 77 0.289 1
78 1 13 1 "RMS(OBS, PRED)" N 61 2.249 1
79 1 14 1 "RMS(OBS, PRED)" C 67 0.974 1
80 1 14 1 "RMS(OBS, PRED)" CA 73 1.085 1
81 1 14 1 "RMS(OBS, PRED)" CB 69 0.932 1
82 1 14 1 "RMS(OBS, PRED)" H 62 0.595 1
83 1 14 1 "RMS(OBS, PRED)" HA 77 0.280 1
84 1 14 1 "RMS(OBS, PRED)" N 61 2.187 1
85 1 15 1 "RMS(OBS, PRED)" C 67 0.964 1
86 1 15 1 "RMS(OBS, PRED)" CA 73 1.298 1
87 1 15 1 "RMS(OBS, PRED)" CB 69 1.099 1
88 1 15 1 "RMS(OBS, PRED)" H 62 0.539 1
89 1 15 1 "RMS(OBS, PRED)" HA 77 0.279 1
90 1 15 1 "RMS(OBS, PRED)" N 61 2.472 1
91 1 16 1 "RMS(OBS, PRED)" C 67 0.891 1
92 1 16 1 "RMS(OBS, PRED)" CA 73 1.148 1
93 1 16 1 "RMS(OBS, PRED)" CB 69 1.065 1
94 1 16 1 "RMS(OBS, PRED)" H 62 0.587 1
95 1 16 1 "RMS(OBS, PRED)" HA 77 0.291 1
96 1 16 1 "RMS(OBS, PRED)" N 61 2.272 1
97 1 17 1 "RMS(OBS, PRED)" C 67 1.011 1
98 1 17 1 "RMS(OBS, PRED)" CA 73 1.053 1
99 1 17 1 "RMS(OBS, PRED)" CB 69 1.041 1
100 1 17 1 "RMS(OBS, PRED)" H 62 0.586 1
101 1 17 1 "RMS(OBS, PRED)" HA 77 0.254 1
102 1 17 1 "RMS(OBS, PRED)" N 61 2.088 1
103 1 18 1 "RMS(OBS, PRED)" C 67 0.946 1
104 1 18 1 "RMS(OBS, PRED)" CA 73 1.186 1
105 1 18 1 "RMS(OBS, PRED)" CB 69 1.107 1
106 1 18 1 "RMS(OBS, PRED)" H 62 0.570 1
107 1 18 1 "RMS(OBS, PRED)" HA 77 0.276 1
108 1 18 1 "RMS(OBS, PRED)" N 61 2.450 1
109 1 19 1 "RMS(OBS, PRED)" C 67 0.909 1
110 1 19 1 "RMS(OBS, PRED)" CA 73 1.313 1
111 1 19 1 "RMS(OBS, PRED)" CB 69 0.927 1
112 1 19 1 "RMS(OBS, PRED)" H 62 0.602 1
113 1 19 1 "RMS(OBS, PRED)" HA 77 0.261 1
114 1 19 1 "RMS(OBS, PRED)" N 61 2.318 1
115 1 20 1 "RMS(OBS, PRED)" C 67 1.029 1
116 1 20 1 "RMS(OBS, PRED)" CA 73 1.082 1
117 1 20 1 "RMS(OBS, PRED)" CB 69 0.987 1
118 1 20 1 "RMS(OBS, PRED)" H 62 0.614 1
119 1 20 1 "RMS(OBS, PRED)" HA 77 0.241 1
120 1 20 1 "RMS(OBS, PRED)" N 61 2.187 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.967 4.044 -0.077 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.967 4.050 -0.083 2
1 3 . 1 1 A 7 7 GLY C C 7 173.907 173.675 0.232 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.273 45.621 -0.348 2
1 5 . 1 1 A 8 8 ALA H H 8 8.092 8.267 -0.175 2
1 6 . 1 1 A 8 8 ALA HA H 8 4.335 4.387 -0.052 2
1 10 . 1 1 A 8 8 ALA C C 8 177.772 176.825 0.947 2
1 11 . 1 1 A 8 8 ALA CA C 8 52.468 52.441 0.027 2
1 12 . 1 1 A 8 8 ALA CB C 8 19.404 19.560 -0.156 2
1 13 . 1 1 A 8 8 ALA N N 8 123.589 123.106 0.483 2
1 14 . 1 1 A 9 9 ARG H H 9 8.298 8.418 -0.120 2
1 15 . 1 1 A 9 9 ARG HA H 9 4.348 4.392 -0.044 2
1 22 . 1 1 A 9 9 ARG C C 9 175.894 175.231 0.663 2
1 23 . 1 1 A 9 9 ARG CA C 9 55.999 56.643 -0.644 2
1 24 . 1 1 A 9 9 ARG CB C 9 30.813 30.806 0.007 2
1 27 . 1 1 A 9 9 ARG N N 9 120.366 118.693 1.673 2
1 28 . 1 1 A 10 10 ARG H H 10 8.212 8.140 0.072 2
1 29 . 1 1 A 10 10 ARG HA H 10 4.468 4.457 0.011 2
1 36 . 1 1 A 10 10 ARG C C 10 173.810 174.333 -0.523 2
1 37 . 1 1 A 10 10 ARG CA C 10 53.783 54.431 -0.648 2
1 38 . 1 1 A 10 10 ARG CB C 10 30.384 31.452 -1.068 2
1 41 . 1 1 A 10 10 ARG N N 10 122.690 120.698 1.992 2
1 42 . 1 1 A 11 11 PRO HA H 11 4.322 4.147 0.175 2
1 49 . 1 1 A 11 11 PRO C C 11 176.427 176.297 0.130 2
1 50 . 1 1 A 11 11 PRO CA C 11 62.905 62.733 0.172 2
1 51 . 1 1 A 11 11 PRO CB C 11 31.929 32.260 -0.331 2
1 54 . 1 1 A 12 12 MET H H 12 8.237 8.116 0.121 2
1 55 . 1 1 A 12 12 MET HA H 12 4.441 4.689 -0.248 2
1 63 . 1 1 A 12 12 MET C C 12 175.094 175.420 -0.326 2
1 64 . 1 1 A 12 12 MET CA C 12 55.400 54.110 1.290 2
1 65 . 1 1 A 12 12 MET CB C 12 33.327 33.885 -0.558 2
1 68 . 1 1 A 12 12 MET N N 12 120.543 117.229 3.314 2
1 69 . 1 1 A 13 13 ASN H H 13 7.399 8.690 -1.290 2
1 70 . 1 1 A 13 13 ASN HA H 13 4.650 5.020 -0.370 2
1 75 . 1 1 A 13 13 ASN C C 13 174.743 176.251 -1.508 2
1 76 . 1 1 A 13 13 ASN CA C 13 52.456 52.102 0.354 2
1 77 . 1 1 A 13 13 ASN CB C 13 39.513 40.005 -0.492 2
1 78 . 1 1 A 13 13 ASN N N 13 118.399 120.137 -1.738 2
1 80 . 1 1 A 14 14 ALA H H 14 8.681 8.811 -0.130 2
1 81 . 1 1 A 14 14 ALA HA H 14 3.964 4.181 -0.216 2
1 85 . 1 1 A 14 14 ALA C C 14 177.736 179.304 -1.568 2
1 86 . 1 1 A 14 14 ALA CA C 14 56.221 55.118 1.103 2
1 87 . 1 1 A 14 14 ALA CB C 14 19.568 18.532 1.036 2
1 88 . 1 1 A 14 14 ALA N N 14 122.169 122.617 -0.448 2
1 89 . 1 1 A 15 15 PHE H H 15 8.002 7.778 0.224 2
1 90 . 1 1 A 15 15 PHE HA H 15 2.866 2.269 0.597 2
1 98 . 1 1 A 15 15 PHE C C 15 177.821 176.520 1.301 2
1 99 . 1 1 A 15 15 PHE CA C 15 59.132 60.419 -1.287 2
1 100 . 1 1 A 15 15 PHE CB C 15 38.239 38.394 -0.155 2
1 106 . 1 1 A 15 15 PHE N N 15 116.867 118.955 -2.088 2
1 107 . 1 1 A 16 16 LEU H H 16 8.264 8.242 0.022 2
1 108 . 1 1 A 16 16 LEU HA H 16 3.642 3.561 0.081 2
1 118 . 1 1 A 16 16 LEU C C 16 180.354 179.454 0.900 2
1 119 . 1 1 A 16 16 LEU CA C 16 58.236 57.388 0.848 2
1 120 . 1 1 A 16 16 LEU CB C 16 41.365 41.248 0.117 2
1 124 . 1 1 A 16 16 LEU N N 16 120.647 119.382 1.265 2
1 125 . 1 1 A 17 17 LEU H H 17 7.977 7.885 0.092 2
1 126 . 1 1 A 17 17 LEU HA H 17 4.065 3.973 0.092 2
1 136 . 1 1 A 17 17 LEU C C 17 178.984 179.096 -0.112 2
1 137 . 1 1 A 17 17 LEU CA C 17 58.165 57.985 0.180 2
1 138 . 1 1 A 17 17 LEU CB C 17 41.693 42.185 -0.492 2
1 142 . 1 1 A 17 17 LEU N N 17 121.855 119.375 2.480 2
1 143 . 1 1 A 18 18 PHE H H 18 8.136 7.874 0.262 2
1 144 . 1 1 A 18 18 PHE HA H 18 3.769 4.307 -0.538 2
1 150 . 1 1 A 18 18 PHE C C 18 179.020 177.924 1.096 2
1 151 . 1 1 A 18 18 PHE CA C 18 62.333 61.540 0.793 2
1 152 . 1 1 A 18 18 PHE CB C 18 39.122 39.058 0.064 2
1 156 . 1 1 A 18 18 PHE N N 18 122.907 118.275 4.632 2
1 157 . 1 1 A 19 19 CYS H H 19 8.520 7.875 0.645 2
1 158 . 1 1 A 19 19 CYS HA H 19 3.728 4.208 -0.480 2
1 161 . 1 1 A 19 19 CYS C C 19 176.136 176.933 -0.797 2
1 162 . 1 1 A 19 19 CYS CA C 19 64.313 62.897 1.416 2
1 163 . 1 1 A 19 19 CYS CB C 19 26.577 26.977 -0.400 2
1 164 . 1 1 A 19 19 CYS N N 19 119.069 117.293 1.775 2
1 165 . 1 1 A 20 20 LYS H H 20 7.969 7.815 0.154 2
1 166 . 1 1 A 20 20 LYS HA H 20 3.953 4.090 -0.137 2
1 175 . 1 1 A 20 20 LYS C C 20 179.133 178.126 1.007 2
1 176 . 1 1 A 20 20 LYS CA C 20 59.295 58.707 0.588 2
1 177 . 1 1 A 20 20 LYS CB C 20 32.111 32.164 -0.053 2
1 181 . 1 1 A 20 20 LYS N N 20 119.888 119.989 -0.101 2
1 182 . 1 1 A 21 21 ARG H H 21 7.493 7.820 -0.327 2
1 183 . 1 1 A 21 21 ARG HA H 21 4.166 4.291 -0.125 2
1 190 . 1 1 A 21 21 ARG C C 21 177.239 177.980 -0.741 2
1 191 . 1 1 A 21 21 ARG CA C 21 57.575 58.182 -0.607 2
1 192 . 1 1 A 21 21 ARG CB C 21 30.137 31.119 -0.982 2
1 195 . 1 1 A 21 21 ARG N N 21 116.105 118.621 -2.516 2
1 196 . 1 1 A 22 22 HIS H H 22 7.354 8.448 -1.094 2
1 197 . 1 1 A 22 22 HIS HA H 22 4.706 4.427 0.279 2
1 201 . 1 1 A 22 22 HIS C C 22 175.627 176.848 -1.221 2
1 202 . 1 1 A 22 22 HIS CA C 22 58.593 59.221 -0.628 2
1 203 . 1 1 A 22 22 HIS CB C 22 30.754 29.202 1.552 2
1 205 . 1 1 A 22 22 HIS N N 22 113.808 117.691 -3.883 2
1 206 . 1 1 A 23 23 ARG H H 23 8.372 8.117 0.255 2
1 207 . 1 1 A 23 23 ARG HA H 23 3.793 3.849 -0.056 2
1 214 . 1 1 A 23 23 ARG C C 23 177.930 178.448 -0.518 2
1 215 . 1 1 A 23 23 ARG CA C 23 60.747 59.561 1.186 2
1 216 . 1 1 A 23 23 ARG CB C 23 29.251 30.334 -1.083 2
1 219 . 1 1 A 23 23 ARG N N 23 123.560 120.885 2.675 2
1 220 . 1 1 A 24 24 SER HA H 24 4.163 4.155 0.008 2
1 223 . 1 1 A 24 24 SER CA C 24 61.523 61.859 -0.337 2
1 224 . 1 1 A 24 24 SER CB C 24 62.116 62.880 -0.764 2
1 225 . 1 1 A 25 25 LEU H H 25 7.504 8.177 -0.673 2
1 226 . 1 1 A 25 25 LEU HA H 25 4.265 4.025 0.240 2
1 236 . 1 1 A 25 25 LEU C C 25 179.336 178.792 0.544 2
1 237 . 1 1 A 25 25 LEU CA C 25 57.837 58.464 -0.627 2
1 238 . 1 1 A 25 25 LEU CB C 25 41.470 42.125 -0.655 2
1 242 . 1 1 A 25 25 LEU N N 25 124.174 122.502 1.672 2
1 243 . 1 1 A 26 26 VAL H H 26 7.802 8.209 -0.407 2
1 244 . 1 1 A 26 26 VAL HA H 26 3.833 3.495 0.338 2
1 252 . 1 1 A 26 26 VAL C C 26 177.712 177.937 -0.225 2
1 253 . 1 1 A 26 26 VAL CA C 26 66.662 67.056 -0.394 2
1 254 . 1 1 A 26 26 VAL CB C 26 31.670 31.292 0.378 2
1 257 . 1 1 A 26 26 VAL N N 26 119.266 118.695 0.571 2
1 258 . 1 1 A 27 27 ARG H H 27 7.922 8.595 -0.673 2
1 259 . 1 1 A 27 27 ARG HA H 27 4.043 4.001 0.042 2
1 266 . 1 1 A 27 27 ARG C C 27 177.785 178.903 -1.118 2
1 267 . 1 1 A 27 27 ARG CA C 27 58.683 59.989 -1.306 2
1 268 . 1 1 A 27 27 ARG CB C 27 29.720 29.964 -0.244 2
1 271 . 1 1 A 27 27 ARG N N 27 118.035 119.183 -1.148 2
1 272 . 1 1 A 28 28 GLN H H 28 7.707 8.518 -0.811 2
1 273 . 1 1 A 28 28 GLN HA H 28 4.092 4.120 -0.028 2
1 280 . 1 1 A 28 28 GLN C C 28 177.785 178.597 -0.812 2
1 281 . 1 1 A 28 28 GLN CA C 28 58.233 58.698 -0.465 2
1 282 . 1 1 A 28 28 GLN CB C 28 29.191 28.668 0.523 2
1 284 . 1 1 A 28 28 GLN N N 28 116.893 118.394 -1.501 2
1 286 . 1 1 A 29 29 GLU H H 29 7.864 8.561 -0.697 2
1 287 . 1 1 A 29 29 GLU HA H 29 4.131 4.002 0.129 2
1 292 . 1 1 A 29 29 GLU C C 29 176.246 176.152 0.094 2
1 293 . 1 1 A 29 29 GLU CA C 29 57.808 58.789 -0.981 2
1 294 . 1 1 A 29 29 GLU CB C 29 31.004 29.453 1.551 2
1 296 . 1 1 A 29 29 GLU N N 29 116.949 119.013 -2.064 2
1 297 . 1 1 A 30 30 HIS H H 30 8.058 8.548 -0.490 2
1 298 . 1 1 A 30 30 HIS HA H 30 5.071 5.099 -0.028 2
1 303 . 1 1 A 30 30 HIS C C 30 173.519 174.001 -0.482 2
1 304 . 1 1 A 30 30 HIS CA C 30 53.347 53.243 0.104 2
1 305 . 1 1 A 30 30 HIS CB C 30 30.649 29.755 0.894 2
1 308 . 1 1 A 30 30 HIS N N 30 116.711 117.060 -0.349 2
1 309 . 1 1 A 31 31 PRO HA H 31 4.648 4.443 0.205 2
1 316 . 1 1 A 31 31 PRO C C 31 178.197 178.816 -0.619 2
1 317 . 1 1 A 31 31 PRO CA C 31 64.911 65.176 -0.265 2
1 318 . 1 1 A 31 31 PRO CB C 31 32.458 31.944 0.514 2
1 321 . 1 1 A 32 32 ARG H H 32 8.617 8.529 0.088 2
1 322 . 1 1 A 32 32 ARG HA H 32 4.406 4.100 0.306 2
1 329 . 1 1 A 32 32 ARG C C 32 176.815 177.391 -0.576 2
1 330 . 1 1 A 32 32 ARG CA C 32 55.959 58.792 -2.833 2
1 331 . 1 1 A 32 32 ARG CB C 32 29.808 29.969 -0.161 2
1 334 . 1 1 A 32 32 ARG N N 32 116.125 118.332 -2.207 2
1 335 . 1 1 A 33 33 LEU H H 33 7.421 7.604 -0.183 2
1 336 . 1 1 A 33 33 LEU HA H 33 4.409 4.236 0.173 2
1 346 . 1 1 A 33 33 LEU C C 33 177.349 176.340 1.009 2
1 347 . 1 1 A 33 33 LEU CA C 33 55.140 55.187 -0.047 2
1 348 . 1 1 A 33 33 LEU CB C 33 43.420 42.488 0.932 2
1 352 . 1 1 A 33 33 LEU N N 33 120.576 121.019 -0.443 2
1 353 . 1 1 A 34 34 ASP H H 34 8.168 8.868 -0.700 2
1 354 . 1 1 A 34 34 ASP HA H 34 4.646 4.804 -0.158 2
1 357 . 1 1 A 34 34 ASP C C 34 175.821 176.711 -0.890 2
1 358 . 1 1 A 34 34 ASP CA C 34 52.415 54.414 -1.999 2
1 359 . 1 1 A 34 34 ASP CB C 34 41.177 41.564 -0.387 2
1 360 . 1 1 A 34 34 ASP N N 34 122.502 122.650 -0.148 2
1 361 . 1 1 A 35 35 ASN HA H 35 4.395 4.680 -0.285 2
1 366 . 1 1 A 35 35 ASN CA C 35 57.033 55.085 1.948 2
1 367 . 1 1 A 35 35 ASN CB C 35 38.344 39.050 -0.706 2
1 369 . 1 1 A 36 36 ARG HA H 36 4.096 4.012 0.084 2
1 376 . 1 1 A 36 36 ARG C C 36 179.554 179.145 0.409 2
1 377 . 1 1 A 36 36 ARG CA C 36 59.527 59.333 0.194 2
1 378 . 1 1 A 36 36 ARG CB C 36 29.626 29.935 -0.309 2
1 381 . 1 1 A 37 37 GLY H H 37 8.618 8.304 0.314 2
1 382 . 1 1 A 37 37 GLY HA2 H 37 3.888 3.768 0.120 2
1 383 . 1 1 A 37 37 GLY HA3 H 37 3.754 3.771 -0.017 2
1 384 . 1 1 A 37 37 GLY C C 37 176.597 175.953 0.644 2
1 385 . 1 1 A 37 37 GLY CA C 37 47.048 47.180 -0.132 2
1 386 . 1 1 A 37 37 GLY N N 37 110.017 107.752 2.265 2
1 387 . 1 1 A 38 38 ALA H H 38 8.619 8.088 0.530 2
1 388 . 1 1 A 38 38 ALA HA H 38 3.945 3.890 0.055 2
1 392 . 1 1 A 38 38 ALA C C 38 178.924 179.500 -0.576 2
1 393 . 1 1 A 38 38 ALA CA C 38 55.123 54.556 0.567 2
1 394 . 1 1 A 38 38 ALA CB C 38 18.046 18.332 -0.286 2
1 395 . 1 1 A 38 38 ALA N N 38 124.889 124.326 0.563 2
1 396 . 1 1 A 39 39 THR H H 39 8.239 8.184 0.055 2
1 397 . 1 1 A 39 39 THR HA H 39 3.895 3.889 0.006 2
1 402 . 1 1 A 39 39 THR C C 39 175.252 176.400 -1.148 2
1 403 . 1 1 A 39 39 THR CA C 39 66.889 66.627 0.262 2
1 404 . 1 1 A 39 39 THR CB C 39 68.607 68.611 -0.004 2
1 406 . 1 1 A 39 39 THR N N 39 114.810 114.395 0.415 2
1 407 . 1 1 A 40 40 LYS H H 40 7.518 8.067 -0.549 2
1 408 . 1 1 A 40 40 LYS HA H 40 4.098 4.058 0.040 2
1 417 . 1 1 A 40 40 LYS C C 40 178.330 178.974 -0.644 2
1 418 . 1 1 A 40 40 LYS CA C 40 59.746 59.005 0.741 2
1 419 . 1 1 A 40 40 LYS CB C 40 32.106 32.251 -0.145 2
1 423 . 1 1 A 40 40 LYS N N 40 122.046 120.320 1.726 2
1 424 . 1 1 A 41 41 ILE H H 41 7.218 7.652 -0.435 2
1 425 . 1 1 A 41 41 ILE HA H 41 3.722 3.668 0.054 2
1 435 . 1 1 A 41 41 ILE C C 41 178.197 178.041 0.156 2
1 436 . 1 1 A 41 41 ILE CA C 41 64.055 64.716 -0.661 2
1 437 . 1 1 A 41 41 ILE CB C 41 36.482 37.431 -0.949 2
1 441 . 1 1 A 41 41 ILE N N 41 119.019 120.256 -1.237 2
1 442 . 1 1 A 42 42 LEU H H 42 7.940 8.128 -0.188 2
1 443 . 1 1 A 42 42 LEU HA H 42 3.988 3.873 0.115 2
1 453 . 1 1 A 42 42 LEU C C 42 179.251 179.101 0.150 2
1 454 . 1 1 A 42 42 LEU CA C 42 58.605 57.844 0.761 2
1 455 . 1 1 A 42 42 LEU CB C 42 41.694 41.233 0.461 2
1 459 . 1 1 A 42 42 LEU N N 42 119.163 119.738 -0.575 2
1 460 . 1 1 A 43 43 ALA H H 43 8.732 8.350 0.382 2
1 461 . 1 1 A 43 43 ALA HA H 43 4.222 4.264 -0.042 2
1 465 . 1 1 A 43 43 ALA C C 43 180.899 179.284 1.615 2
1 466 . 1 1 A 43 43 ALA CA C 43 55.699 55.671 0.028 2
1 467 . 1 1 A 43 43 ALA CB C 43 17.859 18.637 -0.778 2
1 468 . 1 1 A 43 43 ALA N N 43 122.225 121.633 0.592 2
1 469 . 1 1 A 44 44 ASP H H 44 8.350 8.228 0.122 2
1 470 . 1 1 A 44 44 ASP HA H 44 4.545 4.372 0.173 2
1 473 . 1 1 A 44 44 ASP C C 44 179.227 178.680 0.547 2
1 474 . 1 1 A 44 44 ASP CA C 44 57.507 57.453 0.054 2
1 475 . 1 1 A 44 44 ASP CB C 44 39.719 41.211 -1.492 2
1 476 . 1 1 A 44 44 ASP N N 44 122.950 118.367 4.583 2
1 477 . 1 1 A 45 45 TRP H H 45 8.831 8.452 0.379 2
1 478 . 1 1 A 45 45 TRP HA H 45 4.692 4.395 0.297 2
1 487 . 1 1 A 45 45 TRP C C 45 179.057 178.863 0.194 2
1 488 . 1 1 A 45 45 TRP CA C 45 58.008 59.903 -1.895 2
1 489 . 1 1 A 45 45 TRP CB C 45 29.520 29.604 -0.084 2
1 495 . 1 1 A 45 45 TRP N N 45 122.321 119.967 2.354 2
1 497 . 1 1 A 46 46 TRP H H 46 8.921 8.332 0.589 2
1 498 . 1 1 A 46 46 TRP HA H 46 3.733 3.505 0.228 2
1 507 . 1 1 A 46 46 TRP C C 46 177.664 177.870 -0.206 2
1 508 . 1 1 A 46 46 TRP CA C 46 59.279 60.661 -1.382 2
1 509 . 1 1 A 46 46 TRP CB C 46 30.508 29.256 1.252 2
1 515 . 1 1 A 46 46 TRP N N 46 120.243 121.366 -1.123 2
1 517 . 1 1 A 47 47 ALA H H 47 7.918 9.312 -1.394 2
1 518 . 1 1 A 47 47 ALA HA H 47 3.918 4.053 -0.135 2
1 522 . 1 1 A 47 47 ALA C C 47 179.978 178.165 1.813 2
1 523 . 1 1 A 47 47 ALA CA C 47 55.011 54.953 0.059 2
1 524 . 1 1 A 47 47 ALA CB C 47 18.581 18.596 -0.015 2
1 525 . 1 1 A 47 47 ALA N N 47 117.935 121.027 -3.092 2
1 526 . 1 1 A 48 48 VAL H H 48 7.106 7.598 -0.492 2
1 527 . 1 1 A 48 48 VAL HA H 48 4.378 4.351 0.027 2
1 535 . 1 1 A 48 48 VAL C C 48 175.627 174.716 0.911 2
1 536 . 1 1 A 48 48 VAL CA C 48 60.641 60.648 -0.007 2
1 537 . 1 1 A 48 48 VAL CB C 48 31.865 31.479 0.386 2
1 540 . 1 1 A 48 48 VAL N N 48 107.757 108.584 -0.827 2
1 541 . 1 1 A 49 49 LEU H H 49 7.008 7.444 -0.436 2
1 542 . 1 1 A 49 49 LEU HA H 49 3.948 5.009 -1.061 2
1 552 . 1 1 A 49 49 LEU C C 49 176.258 174.390 1.868 2
1 553 . 1 1 A 49 49 LEU CA C 49 55.032 53.559 1.473 2
1 554 . 1 1 A 49 49 LEU CB C 49 42.822 45.464 -2.642 2
1 558 . 1 1 A 49 49 LEU N N 49 125.594 124.597 0.996 2
1 559 . 1 1 A 50 50 ASP H H 50 8.485 8.669 -0.184 2
1 560 . 1 1 A 50 50 ASP HA H 50 4.643 4.776 -0.133 2
1 563 . 1 1 A 50 50 ASP CA C 50 52.855 52.593 0.262 2
1 564 . 1 1 A 50 50 ASP CB C 50 42.605 41.129 1.476 2
1 565 . 1 1 A 51 51 PRO HA H 51 4.025 4.251 -0.226 2
1 572 . 1 1 A 51 51 PRO C C 51 179.166 178.753 0.413 2
1 573 . 1 1 A 51 51 PRO CA C 51 65.861 65.464 0.397 2
1 574 . 1 1 A 51 51 PRO CB C 51 32.458 31.647 0.811 2
1 577 . 1 1 A 52 52 LYS H H 52 8.866 8.255 0.611 2
1 578 . 1 1 A 52 52 LYS HA H 52 4.165 4.012 0.153 2
1 585 . 1 1 A 52 52 LYS C C 52 179.542 179.203 0.338 2
1 586 . 1 1 A 52 52 LYS CA C 52 59.484 59.605 -0.120 2
1 587 . 1 1 A 52 52 LYS CB C 52 31.906 32.286 -0.380 2
1 591 . 1 1 A 52 52 LYS N N 52 118.625 118.291 0.334 2
1 592 . 1 1 A 53 53 GLU H H 53 7.727 8.207 -0.480 2
1 593 . 1 1 A 53 53 GLU HA H 53 4.343 4.090 0.253 2
1 598 . 1 1 A 53 53 GLU C C 53 179.335 179.609 -0.274 2
1 599 . 1 1 A 53 53 GLU CA C 53 58.355 59.432 -1.077 2
1 600 . 1 1 A 53 53 GLU CB C 53 29.726 29.424 0.301 2
1 602 . 1 1 A 53 53 GLU N N 53 120.460 119.533 0.927 2
1 603 . 1 1 A 54 54 LYS H H 54 8.194 7.631 0.563 2
1 604 . 1 1 A 54 54 LYS HA H 54 3.949 4.413 -0.464 2
1 613 . 1 1 A 54 54 LYS C C 54 179.566 179.062 0.504 2
1 614 . 1 1 A 54 54 LYS CA C 54 60.920 59.860 1.060 2
1 615 . 1 1 A 54 54 LYS CB C 54 32.481 32.151 0.330 2
1 619 . 1 1 A 54 54 LYS N N 54 118.859 118.571 0.288 2
1 620 . 1 1 A 55 55 GLN H H 55 7.965 8.827 -0.862 2
1 621 . 1 1 A 55 55 GLN HA H 55 4.025 4.092 -0.067 2
1 628 . 1 1 A 55 55 GLN C C 55 177.154 178.206 -1.052 2
1 629 . 1 1 A 55 55 GLN CA C 55 58.064 58.969 -0.905 2
1 630 . 1 1 A 55 55 GLN CB C 55 28.163 28.755 -0.592 2
1 632 . 1 1 A 55 55 GLN N N 55 117.922 119.778 -1.856 2
1 634 . 1 1 A 56 56 LYS H H 56 7.483 8.027 -0.543 2
1 635 . 1 1 A 56 56 LYS HA H 56 4.205 4.093 0.111 2
1 644 . 1 1 A 56 56 LYS C C 56 179.772 178.322 1.450 2
1 645 . 1 1 A 56 56 LYS CA C 56 59.671 59.064 0.607 2
1 646 . 1 1 A 56 56 LYS CB C 56 31.700 31.991 -0.291 2
1 650 . 1 1 A 56 56 LYS N N 56 118.491 118.940 -0.449 2
1 651 . 1 1 A 57 57 TYR H H 57 7.707 8.111 -0.404 2
1 652 . 1 1 A 57 57 TYR HA H 57 4.344 4.506 -0.162 2
1 659 . 1 1 A 57 57 TYR C C 57 177.966 178.673 -0.707 2
1 660 . 1 1 A 57 57 TYR CA C 57 62.784 60.492 2.292 2
1 661 . 1 1 A 57 57 TYR CB C 57 38.973 38.443 0.530 2
1 666 . 1 1 A 57 57 TYR N N 57 117.968 119.440 -1.472 2
1 667 . 1 1 A 58 58 THR H H 58 8.458 9.275 -0.817 2
1 668 . 1 1 A 58 58 THR HA H 58 4.074 4.143 -0.069 2
1 673 . 1 1 A 58 58 THR C C 58 177.203 176.072 1.131 2
1 674 . 1 1 A 58 58 THR CA C 58 67.168 66.728 0.440 2
1 675 . 1 1 A 58 58 THR CB C 58 68.401 68.686 -0.285 2
1 677 . 1 1 A 58 58 THR N N 58 118.700 115.623 3.077 2
1 678 . 1 1 A 59 59 ASP H H 59 8.807 8.354 0.453 2
1 679 . 1 1 A 59 59 ASP HA H 59 4.514 4.406 0.108 2
1 682 . 1 1 A 59 59 ASP C C 59 179.154 178.484 0.670 2
1 683 . 1 1 A 59 59 ASP CA C 59 57.754 57.394 0.360 2
1 684 . 1 1 A 59 59 ASP CB C 59 39.801 41.072 -1.271 2
1 685 . 1 1 A 59 59 ASP N N 59 123.812 121.234 2.578 2
1 686 . 1 1 A 60 60 MET H H 60 8.085 8.276 -0.191 2
1 687 . 1 1 A 60 60 MET HA H 60 4.161 4.137 0.024 2
1 695 . 1 1 A 60 60 MET C C 60 178.378 178.511 -0.133 2
1 696 . 1 1 A 60 60 MET CA C 60 58.980 59.132 -0.152 2
1 697 . 1 1 A 60 60 MET CB C 60 34.227 32.516 1.711 2
1 700 . 1 1 A 60 60 MET N N 60 120.481 118.090 2.391 2
1 701 . 1 1 A 61 61 ALA H H 61 8.296 8.168 0.128 2
1 702 . 1 1 A 61 61 ALA HA H 61 4.114 4.268 -0.154 2
1 706 . 1 1 A 61 61 ALA C C 61 179.408 179.403 0.005 2
1 707 . 1 1 A 61 61 ALA CA C 61 54.935 55.437 -0.502 2
1 708 . 1 1 A 61 61 ALA CB C 61 17.759 18.426 -0.667 2
1 709 . 1 1 A 61 61 ALA N N 61 121.147 121.352 -0.205 2
1 710 . 1 1 A 62 62 LYS H H 62 7.812 8.324 -0.512 2
1 711 . 1 1 A 62 62 LYS HA H 62 4.177 4.019 0.158 2
1 720 . 1 1 A 62 62 LYS C C 62 177.979 178.801 -0.822 2
1 721 . 1 1 A 62 62 LYS CA C 62 59.289 59.638 -0.349 2
1 722 . 1 1 A 62 62 LYS CB C 62 32.539 32.275 0.264 2
1 726 . 1 1 A 62 62 LYS N N 62 119.686 118.287 1.399 2
1 727 . 1 1 A 63 63 GLU H H 63 7.810 8.134 -0.324 2
1 728 . 1 1 A 63 63 GLU HA H 63 4.216 4.087 0.129 2
1 733 . 1 1 A 63 63 GLU C C 63 178.597 178.913 -0.316 2
1 734 . 1 1 A 63 63 GLU CA C 63 58.386 58.983 -0.597 2
1 735 . 1 1 A 63 63 GLU CB C 63 29.644 29.642 0.002 2
1 737 . 1 1 A 63 63 GLU N N 63 118.765 118.950 -0.185 2
1 738 . 1 1 A 64 64 TYR H H 64 8.098 8.442 -0.344 2
1 739 . 1 1 A 64 64 TYR HA H 64 4.395 4.290 0.104 2
1 746 . 1 1 A 64 64 TYR C C 64 177.639 178.265 -0.626 2
1 747 . 1 1 A 64 64 TYR CA C 64 60.006 61.533 -1.527 2
1 748 . 1 1 A 64 64 TYR CB C 64 38.198 38.085 0.113 2
1 753 . 1 1 A 64 64 TYR N N 64 119.914 119.895 0.019 2
1 754 . 1 1 A 65 65 LYS H H 65 8.225 9.411 -1.186 2
1 755 . 1 1 A 65 65 LYS HA H 65 4.146 4.019 0.127 2
1 764 . 1 1 A 65 65 LYS C C 65 177.481 178.109 -0.628 2
1 765 . 1 1 A 65 65 LYS CA C 65 58.793 59.884 -1.091 2
1 766 . 1 1 A 65 65 LYS CB C 65 32.523 32.213 0.310 2
1 770 . 1 1 A 65 65 LYS N N 65 122.842 121.249 1.594 2
1 771 . 1 1 A 66 66 ASP H H 66 8.402 8.175 0.227 2
1 772 . 1 1 A 66 66 ASP HA H 66 4.485 4.372 0.113 2
1 775 . 1 1 A 66 66 ASP C C 66 177.930 178.394 -0.464 2
1 776 . 1 1 A 66 66 ASP CA C 66 56.423 57.786 -1.363 2
1 777 . 1 1 A 66 66 ASP CB C 66 40.829 41.165 -0.336 2
1 778 . 1 1 A 66 66 ASP N N 66 120.424 119.414 1.010 2
1 779 . 1 1 A 67 67 ALA H H 67 7.989 8.020 -0.031 2
1 780 . 1 1 A 67 67 ALA HA H 67 4.151 4.108 0.043 2
1 784 . 1 1 A 67 67 ALA C C 67 179.457 179.659 -0.202 2
1 785 . 1 1 A 67 67 ALA CA C 67 54.274 55.115 -0.841 2
1 786 . 1 1 A 67 67 ALA CB C 67 18.499 18.725 -0.226 2
1 787 . 1 1 A 67 67 ALA N N 67 122.273 121.642 0.631 2
1 788 . 1 1 A 68 68 PHE H H 68 8.235 8.785 -0.550 2
1 789 . 1 1 A 68 68 PHE HA H 68 4.314 4.020 0.294 2
1 796 . 1 1 A 68 68 PHE C C 68 177.421 176.496 0.925 2
1 797 . 1 1 A 68 68 PHE CA C 68 60.193 61.856 -1.663 2
1 798 . 1 1 A 68 68 PHE CB C 68 39.390 39.326 0.064 2
1 803 . 1 1 A 68 68 PHE N N 68 119.632 119.401 0.231 2
1 804 . 1 1 A 69 69 MET H H 69 8.325 8.506 -0.181 2
1 805 . 1 1 A 69 69 MET HA H 69 4.296 4.260 0.036 2
1 813 . 1 1 A 69 69 MET C C 69 177.651 176.032 1.619 2
1 814 . 1 1 A 69 69 MET CA C 69 56.645 55.173 1.472 2
1 815 . 1 1 A 69 69 MET CB C 69 32.108 32.141 -0.033 2
1 818 . 1 1 A 69 69 MET N N 69 119.223 116.113 3.110 2
1 819 . 1 1 A 70 70 LYS H H 70 7.864 8.482 -0.618 2
1 820 . 1 1 A 70 70 LYS HA H 70 4.092 4.414 -0.322 2
1 829 . 1 1 A 70 70 LYS C C 70 177.009 176.599 0.410 2
1 830 . 1 1 A 70 70 LYS CA C 70 57.769 57.554 0.215 2
1 831 . 1 1 A 70 70 LYS CB C 70 32.687 34.123 -1.436 2
1 835 . 1 1 A 70 70 LYS N N 70 120.004 124.845 -4.841 2
1 836 . 1 1 A 71 71 ALA H H 71 7.670 7.981 -0.311 2
1 837 . 1 1 A 71 71 ALA HA H 71 4.264 4.323 -0.059 2
1 841 . 1 1 A 71 71 ALA C C 71 177.009 176.425 0.584 2
1 842 . 1 1 A 71 71 ALA CA C 71 52.603 52.331 0.272 2
1 843 . 1 1 A 71 71 ALA CB C 71 19.321 18.351 0.971 2
1 844 . 1 1 A 71 71 ALA N N 71 121.270 121.095 0.175 2
1 845 . 1 1 A 72 72 ASN H H 72 7.846 7.816 0.030 2
1 846 . 1 1 A 72 72 ASN HA H 72 4.972 5.019 -0.047 2
1 851 . 1 1 A 72 72 ASN C C 72 172.453 174.081 -1.628 2
1 852 . 1 1 A 72 72 ASN CA C 72 51.185 50.608 0.577 2
1 853 . 1 1 A 72 72 ASN CB C 72 39.350 39.677 -0.327 2
1 854 . 1 1 A 72 72 ASN N N 72 117.432 117.188 0.244 2
1 856 . 1 1 A 73 73 PRO HA H 73 4.465 4.444 0.021 2
1 863 . 1 1 A 73 73 PRO C C 73 177.857 177.658 0.199 2
1 864 . 1 1 A 73 73 PRO CA C 73 63.972 64.017 -0.045 2
1 865 . 1 1 A 73 73 PRO CB C 73 31.884 31.406 0.478 2
1 868 . 1 1 A 74 74 GLY H H 74 8.538 8.587 -0.049 2
1 869 . 1 1 A 74 74 GLY HA2 H 74 3.881 3.990 -0.109 2
1 870 . 1 1 A 74 74 GLY HA3 H 74 3.957 4.004 -0.047 2
1 871 . 1 1 A 74 74 GLY C C 74 174.210 173.811 0.399 2
1 872 . 1 1 A 74 74 GLY CA C 74 45.216 46.253 -1.037 2
1 873 . 1 1 A 74 74 GLY N N 74 108.444 110.152 -1.708 2
1 874 . 1 1 A 75 75 TYR H H 75 7.878 8.162 -0.284 2
1 875 . 1 1 A 75 75 TYR HA H 75 4.449 4.742 -0.293 2
1 882 . 1 1 A 75 75 TYR C C 75 175.640 174.548 1.092 2
1 883 . 1 1 A 75 75 TYR CA C 75 58.778 58.468 0.310 2
1 884 . 1 1 A 75 75 TYR CB C 75 38.856 40.133 -1.277 2
1 889 . 1 1 A 75 75 TYR N N 75 120.970 120.699 0.271 2
1 890 . 1 1 A 76 76 ARG H H 76 8.039 8.100 -0.061 2
1 891 . 1 1 A 76 76 ARG HA H 76 4.346 4.289 0.057 2
1 898 . 1 1 A 76 76 ARG C C 76 175.482 174.971 0.511 2
1 899 . 1 1 A 76 76 ARG CA C 76 55.510 55.875 -0.365 2
1 900 . 1 1 A 76 76 ARG CB C 76 31.307 31.491 -0.184 2
1 903 . 1 1 A 76 76 ARG N N 76 124.540 122.144 2.396 2
1 904 . 1 1 A 77 77 SER HA H 77 4.430 4.576 -0.146 2
1 907 . 1 1 A 77 77 SER CA C 77 58.319 58.498 -0.179 2
1 908 . 1 1 A 77 77 SER CB C 77 63.982 63.798 0.184 2
1 909 . 1 1 A 78 78 GLY HA2 H 78 4.154 4.084 0.070 2
1 910 . 1 1 A 78 78 GLY HA3 H 78 4.154 4.101 0.053 2
1 911 . 1 1 A 78 78 GLY CA C 78 44.731 45.017 -0.286 2
1 912 . 1 1 A 79 79 PRO HA H 79 4.495 4.537 -0.042 2
1 917 . 1 1 A 79 79 PRO CA C 79 63.366 63.214 0.152 2
1 918 . 1 1 A 79 79 PRO CB C 79 32.289 32.069 0.220 2
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