data_11026_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11026
_Entry.PDB_ID 2RMO
_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 10 . 1 1 1 A 2 2 ASP N N 2 123.485 125.120 -1.635 1
1 11 . 1 1 1 A 2 2 ASP H H 2 8.809 8.746 0.063 1
1 12 . 1 1 1 A 2 2 ASP CA C 2 54.244 53.712 0.532 1
1 13 . 1 1 1 A 2 2 ASP HA H 2 4.673 5.070 -0.397 1
1 14 . 1 1 1 A 2 2 ASP CB C 2 40.452 41.499 -1.047 1
1 17 . 1 1 1 A 2 2 ASP C C 2 175.771 176.116 -0.345 1
1 18 . 1 1 1 A 3 3 GLU N N 3 121.725 118.417 3.308 1
1 19 . 1 1 1 A 3 3 GLU H H 3 8.684 7.937 0.747 1
1 20 . 1 1 1 A 3 3 GLU CA C 3 56.162 55.844 0.318 1
1 21 . 1 1 1 A 3 3 GLU HA H 3 4.392 4.559 -0.167 1
1 22 . 1 1 1 A 3 3 GLU CB C 3 29.170 30.491 -1.321 1
1 28 . 1 1 1 A 3 3 GLU C C 3 176.546 175.547 0.999 1
1 29 . 1 1 1 A 4 4 THR N N 4 114.384 111.421 2.963 1
1 30 . 1 1 1 A 4 4 THR H H 4 8.303 7.709 0.594 1
1 31 . 1 1 1 A 4 4 THR CA C 4 62.347 61.204 1.143 1
1 32 . 1 1 1 A 4 4 THR HA H 4 4.278 4.946 -0.668 1
1 33 . 1 1 1 A 4 4 THR CB C 4 69.672 70.956 -1.284 1
1 39 . 1 1 1 A 4 4 THR C C 4 175.306 173.331 1.975 1
1 40 . 1 1 1 A 5 5 GLY N N 5 111.296 111.960 -0.664 1
1 41 . 1 1 1 A 5 5 GLY H H 5 8.422 8.423 -0.001 1
1 42 . 1 1 1 A 5 5 GLY CA C 5 45.302 45.411 -0.109 1
1 43 . 1 1 1 A 5 5 GLY HA2 H 5 3.928 4.086 -0.158 1
1 44 . 1 1 1 A 5 5 GLY HA3 H 5 3.928 4.088 -0.160 1
1 45 . 1 1 1 A 5 5 GLY C C 5 173.689 174.527 -0.838 1
1 46 . 1 1 1 A 6 6 LYS N N 6 119.850 117.395 2.455 1
1 47 . 1 1 1 A 6 6 LYS H H 6 8.008 8.137 -0.129 1
1 48 . 1 1 1 A 6 6 LYS CA C 6 55.401 57.114 -1.713 1
1 49 . 1 1 1 A 6 6 LYS HA H 6 4.381 4.412 -0.031 1
1 50 . 1 1 1 A 6 6 LYS CB C 6 33.225 34.901 -1.676 1
1 62 . 1 1 1 A 6 6 LYS C C 6 175.948 175.981 -0.033 1
1 63 . 1 1 1 A 7 7 GLU N N 7 122.488 116.259 6.229 1
1 64 . 1 1 1 A 7 7 GLU H H 7 8.577 7.724 0.853 1
1 65 . 1 1 1 A 7 7 GLU CA C 7 55.690 55.371 0.319 1
1 66 . 1 1 1 A 7 7 GLU HA H 7 4.495 4.850 -0.355 1
1 67 . 1 1 1 A 7 7 GLU CB C 7 30.382 33.873 -3.491 1
1 73 . 1 1 1 A 7 7 GLU C C 7 174.109 174.669 -0.560 1
1 74 . 1 1 1 A 8 8 LEU N N 8 123.063 121.916 1.147 1
1 75 . 1 1 1 A 8 8 LEU H H 8 8.485 8.721 -0.236 1
1 76 . 1 1 1 A 8 8 LEU CA C 8 53.331 53.437 -0.106 1
1 77 . 1 1 1 A 8 8 LEU HA H 8 5.381 5.131 0.250 1
1 78 . 1 1 1 A 8 8 LEU CB C 8 45.077 46.409 -1.332 1
1 91 . 1 1 1 A 8 8 LEU C C 8 177.344 175.394 1.950 1
1 92 . 1 1 1 A 9 9 VAL N N 9 111.683 117.270 -5.587 1
1 93 . 1 1 1 A 9 9 VAL H H 9 9.111 9.215 -0.104 1
1 94 . 1 1 1 A 9 9 VAL CA C 9 57.854 58.986 -1.132 1
1 95 . 1 1 1 A 9 9 VAL HA H 9 5.214 4.862 0.352 1
1 96 . 1 1 1 A 9 9 VAL CB C 9 35.864 35.407 0.457 1
1 106 . 1 1 1 A 9 9 VAL C C 9 172.404 174.053 -1.649 1
1 107 . 1 1 1 A 10 10 LEU N N 10 123.366 125.429 -2.063 1
1 108 . 1 1 1 A 10 10 LEU H H 10 8.971 9.251 -0.280 1
1 109 . 1 1 1 A 10 10 LEU CA C 10 52.445 53.762 -1.317 1
1 110 . 1 1 1 A 10 10 LEU HA H 10 5.100 4.996 0.104 1
1 111 . 1 1 1 A 10 10 LEU CB C 10 46.711 44.461 2.250 1
1 124 . 1 1 1 A 10 10 LEU C C 10 176.568 175.637 0.931 1
1 125 . 1 1 1 A 11 11 ALA N N 11 127.241 128.537 -1.296 1
1 126 . 1 1 1 A 11 11 ALA H H 11 9.160 9.048 0.112 1
1 127 . 1 1 1 A 11 11 ALA CA C 11 52.416 51.199 1.217 1
1 128 . 1 1 1 A 11 11 ALA HA H 11 4.610 4.524 0.086 1
1 132 . 1 1 1 A 11 11 ALA CB C 11 19.051 19.566 -0.515 1
1 133 . 1 1 1 A 11 11 ALA C C 11 178.252 177.208 1.044 1
1 134 . 1 1 1 A 12 12 LEU N N 12 127.842 125.584 2.258 1
1 135 . 1 1 1 A 12 12 LEU H H 12 9.257 9.268 -0.011 1
1 136 . 1 1 1 A 12 12 LEU CA C 12 55.585 56.112 -0.527 1
1 137 . 1 1 1 A 12 12 LEU HA H 12 3.884 4.188 -0.304 1
1 138 . 1 1 1 A 12 12 LEU CB C 12 43.192 42.679 0.513 1
1 151 . 1 1 1 A 12 12 LEU C C 12 174.951 176.494 -1.543 1
1 152 . 1 1 1 A 13 13 TYR N N 13 111.673 115.818 -4.145 1
1 153 . 1 1 1 A 13 13 TYR H H 13 7.129 7.948 -0.819 1
1 154 . 1 1 1 A 13 13 TYR CA C 13 54.530 56.192 -1.662 1
1 155 . 1 1 1 A 13 13 TYR HA H 13 4.617 5.082 -0.465 1
1 156 . 1 1 1 A 13 13 TYR CB C 13 42.982 40.867 2.115 1
1 167 . 1 1 1 A 13 13 TYR C C 13 173.600 175.836 -2.236 1
1 168 . 1 1 1 A 14 14 ASP N N 14 117.888 122.946 -5.058 1
1 169 . 1 1 1 A 14 14 ASP H H 14 8.328 8.602 -0.274 1
1 170 . 1 1 1 A 14 14 ASP CA C 14 54.527 54.379 0.148 1
1 171 . 1 1 1 A 14 14 ASP HA H 14 4.615 4.652 -0.037 1
1 172 . 1 1 1 A 14 14 ASP CB C 14 41.351 41.329 0.022 1
1 175 . 1 1 1 A 14 14 ASP C C 14 176.125 175.390 0.735 1
1 176 . 1 1 1 A 15 15 TYR N N 15 120.102 121.950 -1.848 1
1 177 . 1 1 1 A 15 15 TYR H H 15 8.733 8.866 -0.133 1
1 178 . 1 1 1 A 15 15 TYR CA C 15 59.669 57.084 2.585 1
1 179 . 1 1 1 A 15 15 TYR HA H 15 4.662 5.199 -0.537 1
1 180 . 1 1 1 A 15 15 TYR CB C 15 43.400 42.024 1.376 1
1 191 . 1 1 1 A 15 15 TYR C C 15 172.803 173.729 -0.926 1
1 192 . 1 1 1 A 16 16 GLN N N 16 126.945 121.435 5.510 1
1 193 . 1 1 1 A 16 16 GLN H H 16 7.546 7.928 -0.382 1
1 194 . 1 1 1 A 16 16 GLN CA C 16 53.820 54.686 -0.866 1
1 195 . 1 1 1 A 16 16 GLN HA H 16 4.500 4.688 -0.188 1
1 196 . 1 1 1 A 16 16 GLN CB C 16 29.378 30.235 -0.857 1
1 202 . 1 1 1 A 16 16 GLN C C 16 173.910 174.749 -0.839 1
1 203 . 1 1 1 A 17 17 GLU N N 17 123.035 125.550 -2.515 1
1 204 . 1 1 1 A 17 17 GLU H H 17 7.930 8.897 -0.967 1
1 205 . 1 1 1 A 17 17 GLU CA C 17 56.078 56.874 -0.796 1
1 206 . 1 1 1 A 17 17 GLU HA H 17 4.211 4.313 -0.102 1
1 207 . 1 1 1 A 17 17 GLU CB C 17 29.520 30.317 -0.797 1
1 213 . 1 1 1 A 17 17 GLU C C 17 175.926 176.904 -0.978 1
1 214 . 1 1 1 A 18 18 LYS N N 18 120.770 119.722 1.048 1
1 215 . 1 1 1 A 18 18 LYS H H 18 8.801 8.797 0.004 1
1 216 . 1 1 1 A 18 18 LYS CA C 18 55.164 56.487 -1.323 1
1 217 . 1 1 1 A 18 18 LYS HA H 18 4.424 4.624 -0.200 1
1 218 . 1 1 1 A 18 18 LYS CB C 18 33.328 34.747 -1.419 1
1 230 . 1 1 1 A 18 18 LYS C C 18 176.192 175.916 0.276 1
1 231 . 1 1 1 A 19 19 SER N N 19 114.841 112.509 2.332 1
1 232 . 1 1 1 A 19 19 SER H H 19 7.619 7.774 -0.155 1
1 233 . 1 1 1 A 19 19 SER CA C 19 56.678 55.239 1.439 1
1 234 . 1 1 1 A 19 19 SER HA H 19 4.863 4.879 -0.016 1
1 235 . 1 1 1 A 19 19 SER CB C 19 64.060 64.913 -0.853 1
1 239 . 1 1 1 A 20 20 PRO CA C 20 64.803 64.505 0.298 1
1 240 . 1 1 1 A 20 20 PRO HA H 20 4.549 4.547 0.002 1
1 241 . 1 1 1 A 20 20 PRO CB C 20 31.894 31.769 0.125 1
1 249 . 1 1 1 A 20 20 PRO C C 20 176.679 177.333 -0.654 1
1 250 . 1 1 1 A 21 21 ARG N N 21 113.864 116.060 -2.196 1
1 251 . 1 1 1 A 21 21 ARG H H 21 7.687 8.323 -0.636 1
1 252 . 1 1 1 A 21 21 ARG CA C 21 56.119 55.819 0.300 1
1 253 . 1 1 1 A 21 21 ARG HA H 21 4.598 4.392 0.206 1
1 254 . 1 1 1 A 21 21 ARG CB C 21 30.299 29.939 0.360 1
1 263 . 1 1 1 A 21 21 ARG C C 21 176.369 175.222 1.147 1
1 264 . 1 1 1 A 22 22 GLU N N 22 121.539 120.380 1.159 1
1 265 . 1 1 1 A 22 22 GLU H H 22 7.842 7.206 0.636 1
1 266 . 1 1 1 A 22 22 GLU CA C 22 54.951 55.292 -0.341 1
1 267 . 1 1 1 A 22 22 GLU HA H 22 5.484 4.992 0.492 1
1 268 . 1 1 1 A 22 22 GLU CB C 22 33.535 33.474 0.061 1
1 274 . 1 1 1 A 22 22 GLU C C 22 174.375 174.617 -0.242 1
1 275 . 1 1 1 A 23 23 VAL N N 23 111.923 118.709 -6.786 1
1 276 . 1 1 1 A 23 23 VAL H H 23 7.373 8.784 -1.411 1
1 277 . 1 1 1 A 23 23 VAL CA C 23 59.570 59.675 -0.105 1
1 278 . 1 1 1 A 23 23 VAL HA H 23 4.531 5.450 -0.919 1
1 279 . 1 1 1 A 23 23 VAL CB C 23 34.667 36.215 -1.548 1
1 289 . 1 1 1 A 23 23 VAL C C 23 172.625 173.767 -1.142 1
1 290 . 1 1 1 A 24 24 THR N N 24 117.656 115.563 2.093 1
1 291 . 1 1 1 A 24 24 THR H H 24 7.112 8.844 -1.732 1
1 292 . 1 1 1 A 24 24 THR CA C 24 61.994 60.458 1.536 1
1 293 . 1 1 1 A 24 24 THR HA H 24 5.119 5.168 -0.049 1
1 294 . 1 1 1 A 24 24 THR CB C 24 71.220 70.683 0.537 1
1 300 . 1 1 1 A 24 24 THR C C 24 174.309 172.458 1.851 1
1 301 . 1 1 1 A 25 25 MET N N 25 122.056 121.394 0.662 1
1 302 . 1 1 1 A 25 25 MET H H 25 9.515 9.039 0.476 1
1 303 . 1 1 1 A 25 25 MET CA C 25 54.247 53.711 0.536 1
1 304 . 1 1 1 A 25 25 MET HA H 25 4.935 5.113 -0.178 1
1 305 . 1 1 1 A 25 25 MET CB C 25 36.287 35.745 0.542 1
1 312 . 1 1 1 A 25 25 MET C C 25 173.777 173.777 0.000 1
1 313 . 1 1 1 A 26 26 LYS N N 26 124.668 118.409 6.259 1
1 314 . 1 1 1 A 26 26 LYS H H 26 8.949 8.649 0.300 1
1 315 . 1 1 1 A 26 26 LYS CA C 26 53.476 54.114 -0.638 1
1 316 . 1 1 1 A 26 26 LYS HA H 26 4.896 4.922 -0.026 1
1 317 . 1 1 1 A 26 26 LYS CB C 26 34.097 35.559 -1.462 1
1 327 . 1 1 1 A 26 26 LYS C C 26 174.929 176.386 -1.457 1
1 328 . 1 1 1 A 27 27 LYS N N 27 122.567 121.680 0.887 1
1 329 . 1 1 1 A 27 27 LYS H H 27 9.061 8.364 0.697 1
1 330 . 1 1 1 A 27 27 LYS CA C 27 58.539 57.072 1.467 1
1 331 . 1 1 1 A 27 27 LYS HA H 27 4.656 4.082 0.574 1
1 332 . 1 1 1 A 27 27 LYS CB C 27 32.202 31.977 0.225 1
1 344 . 1 1 1 A 27 27 LYS C C 27 177.344 176.937 0.407 1
1 345 . 1 1 1 A 28 28 GLY N N 28 115.884 112.824 3.060 1
1 346 . 1 1 1 A 28 28 GLY H H 28 8.900 9.258 -0.358 1
1 347 . 1 1 1 A 28 28 GLY CA C 28 44.779 45.535 -0.756 1
1 348 . 1 1 1 A 28 28 GLY HA2 H 28 3.523 3.890 -0.367 1
1 349 . 1 1 1 A 28 28 GLY HA3 H 28 4.469 3.894 0.575 1
1 350 . 1 1 1 A 28 28 GLY C C 28 174.021 173.502 0.519 1
1 351 . 1 1 1 A 29 29 ASP N N 29 122.466 120.731 1.735 1
1 352 . 1 1 1 A 29 29 ASP H H 29 8.513 8.067 0.446 1
1 353 . 1 1 1 A 29 29 ASP CA C 29 55.711 53.208 2.503 1
1 354 . 1 1 1 A 29 29 ASP HA H 29 4.523 4.990 -0.467 1
1 355 . 1 1 1 A 29 29 ASP CB C 29 41.361 42.682 -1.321 1
1 358 . 1 1 1 A 29 29 ASP C C 29 174.331 175.204 -0.873 1
1 359 . 1 1 1 A 30 30 ILE N N 30 120.470 123.395 -2.925 1
1 360 . 1 1 1 A 30 30 ILE H H 30 8.204 8.580 -0.376 1
1 361 . 1 1 1 A 30 30 ILE CA C 30 60.164 60.158 0.006 1
1 362 . 1 1 1 A 30 30 ILE HA H 30 5.025 5.324 -0.299 1
1 363 . 1 1 1 A 30 30 ILE CB C 30 38.257 41.112 -2.855 1
1 372 . 1 1 1 A 30 30 ILE C C 30 176.236 174.698 1.538 1
1 373 . 1 1 1 A 31 31 LEU N N 31 128.265 127.098 1.167 1
1 374 . 1 1 1 A 31 31 LEU H H 31 9.353 8.974 0.379 1
1 375 . 1 1 1 A 31 31 LEU CA C 31 53.601 53.458 0.143 1
1 376 . 1 1 1 A 31 31 LEU HA H 31 4.998 5.181 -0.183 1
1 377 . 1 1 1 A 31 31 LEU CB C 31 43.893 45.131 -1.238 1
1 388 . 1 1 1 A 31 31 LEU C C 31 175.638 176.376 -0.738 1
1 389 . 1 1 1 A 32 32 THR N N 32 117.089 119.720 -2.631 1
1 390 . 1 1 1 A 32 32 THR H H 32 8.141 8.698 -0.557 1
1 391 . 1 1 1 A 32 32 THR CA C 32 63.263 63.178 0.085 1
1 392 . 1 1 1 A 32 32 THR HA H 32 4.619 4.582 0.037 1
1 393 . 1 1 1 A 32 32 THR CB C 32 69.867 69.023 0.844 1
1 399 . 1 1 1 A 32 32 THR C C 32 173.600 174.533 -0.933 1
1 400 . 1 1 1 A 33 33 LEU N N 33 129.212 129.034 0.178 1
1 401 . 1 1 1 A 33 33 LEU H H 33 9.070 8.572 0.498 1
1 402 . 1 1 1 A 33 33 LEU CA C 33 54.671 56.296 -1.625 1
1 403 . 1 1 1 A 33 33 LEU HA H 33 4.356 4.289 0.067 1
1 404 . 1 1 1 A 33 33 LEU CB C 33 42.968 42.277 0.691 1
1 417 . 1 1 1 A 33 33 LEU C C 33 174.553 176.024 -1.471 1
1 418 . 1 1 1 A 34 34 LEU N N 34 125.880 127.156 -1.276 1
1 419 . 1 1 1 A 34 34 LEU H H 34 9.051 9.263 -0.212 1
1 420 . 1 1 1 A 34 34 LEU CA C 34 54.811 55.868 -1.057 1
1 421 . 1 1 1 A 34 34 LEU HA H 34 4.532 4.468 0.064 1
1 422 . 1 1 1 A 34 34 LEU CB C 34 42.977 43.166 -0.189 1
1 434 . 1 1 1 A 34 34 LEU C C 34 177.477 176.447 1.030 1
1 435 . 1 1 1 A 35 35 ASN N N 35 113.971 115.350 -1.379 1
1 436 . 1 1 1 A 35 35 ASN H H 35 7.600 7.678 -0.078 1
1 437 . 1 1 1 A 35 35 ASN CA C 35 54.543 52.733 1.810 1
1 438 . 1 1 1 A 35 35 ASN HA H 35 4.680 5.098 -0.418 1
1 439 . 1 1 1 A 35 35 ASN CB C 35 40.958 42.347 -1.389 1
1 443 . 1 1 1 A 35 35 ASN C C 35 174.375 174.493 -0.118 1
1 444 . 1 1 1 A 36 36 SER N N 36 123.815 117.508 6.307 1
1 445 . 1 1 1 A 36 36 SER H H 36 9.194 8.697 0.497 1
1 446 . 1 1 1 A 36 36 SER CA C 36 56.692 57.038 -0.346 1
1 447 . 1 1 1 A 36 36 SER HA H 36 3.921 4.941 -1.020 1
1 448 . 1 1 1 A 36 36 SER CB C 36 62.180 63.737 -1.557 1
1 451 . 1 1 1 A 36 36 SER C C 36 173.401 174.920 -1.519 1
1 452 . 1 1 1 A 37 37 THR N N 37 115.041 116.769 -1.728 1
1 453 . 1 1 1 A 37 37 THR H H 37 8.178 7.712 0.466 1
1 454 . 1 1 1 A 37 37 THR CA C 37 65.484 65.349 0.135 1
1 455 . 1 1 1 A 37 37 THR HA H 37 4.528 4.067 0.461 1
1 456 . 1 1 1 A 37 37 THR CB C 37 69.416 68.995 0.421 1
1 462 . 1 1 1 A 37 37 THR C C 37 175.261 175.045 0.216 1
1 463 . 1 1 1 A 38 38 ASN N N 38 122.494 119.205 3.289 1
1 464 . 1 1 1 A 38 38 ASN H H 38 8.674 8.045 0.629 1
1 465 . 1 1 1 A 38 38 ASN CA C 38 53.188 52.352 0.836 1
1 466 . 1 1 1 A 38 38 ASN HA H 38 4.863 4.923 -0.060 1
1 467 . 1 1 1 A 38 38 ASN CB C 38 40.525 40.677 -0.152 1
1 470 . 1 1 1 A 38 38 ASN C C 38 174.575 175.190 -0.615 1
1 471 . 1 1 1 A 39 39 LYS N N 39 120.915 122.207 -1.292 1
1 472 . 1 1 1 A 39 39 LYS H H 39 8.510 8.971 -0.461 1
1 473 . 1 1 1 A 39 39 LYS CA C 39 58.333 55.916 2.417 1
1 474 . 1 1 1 A 39 39 LYS HA H 39 4.247 4.703 -0.456 1
1 475 . 1 1 1 A 39 39 LYS CB C 39 32.520 34.006 -1.486 1
1 485 . 1 1 1 A 39 39 LYS C C 39 176.236 176.497 -0.261 1
1 486 . 1 1 1 A 40 40 ASP N N 40 114.628 115.917 -1.289 1
1 487 . 1 1 1 A 40 40 ASP H H 40 8.173 7.842 0.331 1
1 488 . 1 1 1 A 40 40 ASP CA C 40 55.380 55.252 0.128 1
1 489 . 1 1 1 A 40 40 ASP HA H 40 4.544 4.435 0.109 1
1 490 . 1 1 1 A 40 40 ASP CB C 40 43.415 43.654 -0.239 1
1 493 . 1 1 1 A 40 40 ASP C C 40 176.967 175.555 1.412 1
1 494 . 1 1 1 A 41 41 TRP N N 41 122.703 116.634 6.069 1
1 495 . 1 1 1 A 41 41 TRP H H 41 8.209 7.722 0.487 1
1 496 . 1 1 1 A 41 41 TRP CA C 41 56.184 55.858 0.326 1
1 497 . 1 1 1 A 41 41 TRP HA H 41 5.075 5.425 -0.350 1
1 498 . 1 1 1 A 41 41 TRP CB C 41 32.019 33.495 -1.476 1
1 513 . 1 1 1 A 41 41 TRP C C 41 174.176 175.131 -0.955 1
1 514 . 1 1 1 A 42 42 TRP N N 42 124.895 122.052 2.843 1
1 515 . 1 1 1 A 42 42 TRP H H 42 9.366 9.293 0.073 1
1 516 . 1 1 1 A 42 42 TRP CA C 42 54.076 55.598 -1.522 1
1 517 . 1 1 1 A 42 42 TRP HA H 42 5.523 5.389 0.134 1
1 518 . 1 1 1 A 42 42 TRP CB C 42 31.447 32.895 -1.448 1
1 533 . 1 1 1 A 42 42 TRP C C 42 174.109 175.448 -1.339 1
1 534 . 1 1 1 A 43 43 LYS N N 43 124.120 124.480 -0.360 1
1 535 . 1 1 1 A 43 43 LYS H H 43 8.883 9.485 -0.602 1
1 536 . 1 1 1 A 43 43 LYS CA C 43 55.158 55.565 -0.407 1
1 537 . 1 1 1 A 43 43 LYS HA H 43 4.368 4.850 -0.482 1
1 538 . 1 1 1 A 43 43 LYS CB C 43 33.794 33.409 0.385 1
1 550 . 1 1 1 A 43 43 LYS C C 43 175.416 176.078 -0.662 1
1 551 . 1 1 1 A 44 44 VAL N N 44 122.055 120.810 1.245 1
1 552 . 1 1 1 A 44 44 VAL H H 44 9.427 9.014 0.413 1
1 553 . 1 1 1 A 44 44 VAL CA C 44 58.825 58.719 0.106 1
1 554 . 1 1 1 A 44 44 VAL HA H 44 5.375 5.211 0.164 1
1 555 . 1 1 1 A 44 44 VAL CB C 44 36.593 35.322 1.271 1
1 565 . 1 1 1 A 44 44 VAL C C 44 173.223 173.584 -0.361 1
1 566 . 1 1 1 A 45 45 GLU N N 45 118.673 122.083 -3.410 1
1 567 . 1 1 1 A 45 45 GLU H H 45 8.733 8.950 -0.217 1
1 568 . 1 1 1 A 45 45 GLU CA C 45 54.249 54.845 -0.596 1
1 569 . 1 1 1 A 45 45 GLU HA H 45 5.432 5.350 0.082 1
1 570 . 1 1 1 A 45 45 GLU CB C 45 33.286 31.931 1.355 1
1 576 . 1 1 1 A 45 45 GLU C C 45 174.774 176.011 -1.237 1
1 577 . 1 1 1 A 46 46 VAL N N 46 123.551 121.675 1.876 1
1 578 . 1 1 1 A 46 46 VAL H H 46 9.058 8.975 0.083 1
1 579 . 1 1 1 A 46 46 VAL CA C 46 59.627 59.994 -0.367 1
1 580 . 1 1 1 A 46 46 VAL HA H 46 4.669 4.882 -0.213 1
1 581 . 1 1 1 A 46 46 VAL CB C 46 35.290 33.962 1.328 1
1 590 . 1 1 1 A 46 46 VAL C C 46 173.534 175.192 -1.658 1
1 591 . 1 1 1 A 47 47 LYS N N 47 124.992 118.711 6.281 1
1 592 . 1 1 1 A 47 47 LYS H H 47 8.446 8.830 -0.384 1
1 593 . 1 1 1 A 47 47 LYS CA C 47 55.905 54.191 1.714 1
1 594 . 1 1 1 A 47 47 LYS HA H 47 4.763 5.103 -0.340 1
1 595 . 1 1 1 A 47 47 LYS CB C 47 33.450 36.097 -2.647 1
1 605 . 1 1 1 A 47 47 LYS C C 47 175.306 174.807 0.499 1
1 606 . 1 1 1 A 48 48 ALA N N 48 128.781 120.983 7.798 1
1 607 . 1 1 1 A 48 48 ALA H H 48 8.757 8.507 0.250 1
1 608 . 1 1 1 A 48 48 ALA CA C 48 50.828 50.909 -0.081 1
1 609 . 1 1 1 A 48 48 ALA HA H 48 4.616 4.827 -0.211 1
1 613 . 1 1 1 A 48 48 ALA CB C 48 21.741 22.951 -1.210 1
1 614 . 1 1 1 A 48 48 ALA C C 48 175.173 175.816 -0.643 1
1 615 . 1 1 1 A 49 49 THR N N 49 113.585 118.150 -4.565 1
1 616 . 1 1 1 A 49 49 THR H H 49 8.333 8.362 -0.029 1
1 617 . 1 1 1 A 49 49 THR CA C 49 60.826 61.766 -0.940 1
1 618 . 1 1 1 A 49 49 THR HA H 49 5.257 5.215 0.042 1
1 619 . 1 1 1 A 49 49 THR CB C 49 71.045 69.850 1.195 1
1 624 . 1 1 1 A 49 49 THR C C 49 174.176 173.625 0.551 1
1 625 . 1 1 1 A 50 50 ALA N N 50 127.142 126.889 0.253 1
1 626 . 1 1 1 A 50 50 ALA H H 50 8.914 8.878 0.036 1
1 627 . 1 1 1 A 50 50 ALA CA C 50 52.345 51.739 0.606 1
1 628 . 1 1 1 A 50 50 ALA HA H 50 4.603 4.622 -0.019 1
1 632 . 1 1 1 A 50 50 ALA CB C 50 20.935 22.686 -1.751 1
1 633 . 1 1 1 A 50 50 ALA C C 50 177.299 175.963 1.336 1
1 634 . 1 1 1 A 51 51 ASN N N 51 121.555 122.384 -0.829 1
1 635 . 1 1 1 A 51 51 ASN H H 51 9.491 9.331 0.160 1
1 636 . 1 1 1 A 51 51 ASN CA C 51 54.177 54.492 -0.315 1
1 637 . 1 1 1 A 51 51 ASN HA H 51 4.389 4.443 -0.054 1
1 638 . 1 1 1 A 51 51 ASN CB C 51 37.413 37.266 0.147 1
1 641 . 1 1 1 A 51 51 ASN C C 51 175.106 175.647 -0.541 1
1 642 . 1 1 1 A 52 52 GLY N N 52 103.942 104.448 -0.506 1
1 643 . 1 1 1 A 52 52 GLY H H 52 8.681 8.730 -0.049 1
1 644 . 1 1 1 A 52 52 GLY CA C 52 45.443 45.846 -0.403 1
1 645 . 1 1 1 A 52 52 GLY HA2 H 52 3.624 3.900 -0.276 1
1 646 . 1 1 1 A 52 52 GLY HA3 H 52 4.143 3.901 0.242 1
1 647 . 1 1 1 A 52 52 GLY C C 52 173.666 173.920 -0.254 1
1 648 . 1 1 1 A 53 53 LYS N N 53 121.213 120.011 1.202 1
1 649 . 1 1 1 A 53 53 LYS H H 53 7.893 7.967 -0.074 1
1 650 . 1 1 1 A 53 53 LYS CA C 53 54.807 54.163 0.644 1
1 651 . 1 1 1 A 53 53 LYS HA H 53 4.727 4.905 -0.178 1
1 652 . 1 1 1 A 53 53 LYS CB C 53 34.737 36.006 -1.269 1
1 664 . 1 1 1 A 53 53 LYS C C 53 175.239 175.156 0.083 1
1 665 . 1 1 1 A 54 54 THR N N 54 118.501 113.218 5.283 1
1 666 . 1 1 1 A 54 54 THR H H 54 8.498 8.914 -0.416 1
1 667 . 1 1 1 A 54 54 THR CA C 54 61.925 60.921 1.004 1
1 668 . 1 1 1 A 54 54 THR HA H 54 5.117 5.396 -0.279 1
1 669 . 1 1 1 A 54 54 THR CB C 54 70.294 70.422 -0.128 1
1 675 . 1 1 1 A 54 54 THR C C 54 173.733 173.714 0.019 1
1 676 . 1 1 1 A 55 55 TYR N N 55 125.105 119.858 5.247 1
1 677 . 1 1 1 A 55 55 TYR H H 55 9.122 8.890 0.232 1
1 678 . 1 1 1 A 55 55 TYR CA C 55 56.149 55.236 0.913 1
1 679 . 1 1 1 A 55 55 TYR HA H 55 4.857 5.602 -0.745 1
1 680 . 1 1 1 A 55 55 TYR CB C 55 40.090 41.875 -1.785 1
1 691 . 1 1 1 A 55 55 TYR C C 55 172.847 172.872 -0.025 1
1 692 . 1 1 1 A 56 56 GLU N N 56 119.744 120.213 -0.469 1
1 693 . 1 1 1 A 56 56 GLU H H 56 8.503 8.985 -0.482 1
1 694 . 1 1 1 A 56 56 GLU CA C 56 54.739 55.006 -0.267 1
1 695 . 1 1 1 A 56 56 GLU HA H 56 5.030 5.481 -0.451 1
1 696 . 1 1 1 A 56 56 GLU CB C 56 30.297 32.840 -2.543 1
1 701 . 1 1 1 A 56 56 GLU C C 56 175.394 176.128 -0.734 1
1 702 . 1 1 1 A 57 57 ARG N N 57 123.665 119.737 3.928 1
1 703 . 1 1 1 A 57 57 ARG H H 57 8.897 9.359 -0.462 1
1 704 . 1 1 1 A 57 57 ARG CA C 57 54.944 54.209 0.735 1
1 705 . 1 1 1 A 57 57 ARG HA H 57 4.663 5.026 -0.363 1
1 706 . 1 1 1 A 57 57 ARG CB C 57 33.471 34.114 -0.643 1
1 713 . 1 1 1 A 57 57 ARG C C 57 174.198 174.656 -0.458 1
1 714 . 1 1 1 A 58 58 GLN N N 58 119.967 120.823 -0.856 1
1 715 . 1 1 1 A 58 58 GLN H H 58 8.604 8.447 0.157 1
1 716 . 1 1 1 A 58 58 GLN CA C 58 53.394 54.811 -1.417 1
1 717 . 1 1 1 A 58 58 GLN HA H 58 5.602 4.984 0.618 1
1 718 . 1 1 1 A 58 58 GLN CB C 58 31.229 30.751 0.478 1
1 724 . 1 1 1 A 58 58 GLN C C 58 175.771 175.914 -0.143 1
1 725 . 1 1 1 A 59 59 GLY N N 59 107.507 108.627 -1.120 1
1 726 . 1 1 1 A 59 59 GLY H H 59 8.652 8.411 0.241 1
1 727 . 1 1 1 A 59 59 GLY CA C 59 45.583 45.589 -0.006 1
1 728 . 1 1 1 A 59 59 GLY HA2 H 59 3.947 4.222 -0.275 1
1 729 . 1 1 1 A 59 59 GLY HA3 H 59 3.947 4.313 -0.366 1
1 730 . 1 1 1 A 59 59 GLY C C 59 170.255 171.575 -1.320 1
1 731 . 1 1 1 A 60 60 PHE N N 60 119.079 119.172 -0.093 1
1 732 . 1 1 1 A 60 60 PHE H H 60 9.153 8.631 0.522 1
1 733 . 1 1 1 A 60 60 PHE CA C 60 58.544 56.601 1.943 1
1 734 . 1 1 1 A 60 60 PHE HA H 60 5.666 5.789 -0.123 1
1 735 . 1 1 1 A 60 60 PHE CB C 60 42.484 42.302 0.182 1
1 748 . 1 1 1 A 60 60 PHE C C 60 175.461 175.395 0.066 1
1 749 . 1 1 1 A 61 61 VAL N N 61 110.995 116.907 -5.912 1
1 750 . 1 1 1 A 61 61 VAL H H 61 9.065 9.256 -0.191 1
1 751 . 1 1 1 A 61 61 VAL CA C 61 58.189 58.214 -0.025 1
1 752 . 1 1 1 A 61 61 VAL HA H 61 4.823 5.011 -0.188 1
1 753 . 1 1 1 A 61 61 VAL CB C 61 33.521 34.490 -0.969 1
1 764 . 1 1 1 A 62 62 PRO CA C 62 61.852 61.846 0.006 1
1 765 . 1 1 1 A 62 62 PRO HA H 62 3.556 3.709 -0.153 1
1 766 . 1 1 1 A 62 62 PRO CB C 62 29.777 30.663 -0.886 1
1 774 . 1 1 1 A 62 62 PRO C C 62 177.787 177.200 0.587 1
1 775 . 1 1 1 A 63 63 ALA N N 63 129.142 127.679 1.463 1
1 776 . 1 1 1 A 63 63 ALA H H 63 7.477 7.994 -0.517 1
1 777 . 1 1 1 A 63 63 ALA CA C 63 54.472 53.459 1.013 1
1 778 . 1 1 1 A 63 63 ALA HA H 63 2.652 3.011 -0.359 1
1 782 . 1 1 1 A 63 63 ALA CB C 63 15.666 17.040 -1.374 1
1 783 . 1 1 1 A 63 63 ALA C C 63 178.429 178.358 0.071 1
1 784 . 1 1 1 A 64 64 ALA N N 64 113.522 119.098 -5.576 1
1 785 . 1 1 1 A 64 64 ALA H H 64 7.867 7.066 0.801 1
1 786 . 1 1 1 A 64 64 ALA CA C 64 52.768 54.079 -1.311 1
1 787 . 1 1 1 A 64 64 ALA HA H 64 4.006 3.921 0.085 1
1 791 . 1 1 1 A 64 64 ALA CB C 64 17.629 17.877 -0.248 1
1 792 . 1 1 1 A 64 64 ALA C C 64 178.097 178.116 -0.019 1
1 793 . 1 1 1 A 65 65 TYR N N 65 116.109 116.397 -0.288 1
1 794 . 1 1 1 A 65 65 TYR H H 65 7.698 7.585 0.113 1
1 795 . 1 1 1 A 65 65 TYR CA C 65 56.328 58.930 -2.602 1
1 796 . 1 1 1 A 65 65 TYR HA H 65 4.758 4.816 -0.058 1
1 797 . 1 1 1 A 65 65 TYR CB C 65 37.765 40.134 -2.369 1
1 808 . 1 1 1 A 65 65 TYR C C 65 174.375 175.783 -1.408 1
1 809 . 1 1 1 A 66 66 VAL N N 66 111.053 114.723 -3.670 1
1 810 . 1 1 1 A 66 66 VAL H H 66 7.415 7.156 0.259 1
1 811 . 1 1 1 A 66 66 VAL CA C 66 58.119 59.196 -1.077 1
1 812 . 1 1 1 A 66 66 VAL HA H 66 5.538 5.235 0.303 1
1 813 . 1 1 1 A 66 66 VAL CB C 66 35.809 34.602 1.207 1
1 823 . 1 1 1 A 66 66 VAL C C 66 173.511 174.007 -0.496 1
1 824 . 1 1 1 A 67 67 LYS N N 67 118.588 122.404 -3.816 1
1 825 . 1 1 1 A 67 67 LYS H H 67 8.631 8.991 -0.360 1
1 826 . 1 1 1 A 67 67 LYS CA C 67 54.035 54.695 -0.660 1
1 827 . 1 1 1 A 67 67 LYS HA H 67 4.830 5.432 -0.602 1
1 828 . 1 1 1 A 67 67 LYS CB C 67 36.779 36.437 0.342 1
1 838 . 1 1 1 A 67 67 LYS C C 67 175.992 174.915 1.077 1
1 839 . 1 1 1 A 68 68 LYS N N 68 125.838 127.110 -1.272 1
1 840 . 1 1 1 A 68 68 LYS H H 68 9.227 8.679 0.548 1
1 841 . 1 1 1 A 68 68 LYS CA C 68 58.335 56.967 1.368 1
1 842 . 1 1 1 A 68 68 LYS HA H 68 4.494 4.202 0.292 1
1 843 . 1 1 1 A 68 68 LYS CB C 68 32.893 33.017 -0.124 1
1 853 . 1 1 1 A 68 68 LYS C C 68 176.657 176.563 0.094 1
1 854 . 1 1 1 A 69 69 LEU N N 69 125.443 127.187 -1.744 1
1 855 . 1 1 1 A 69 69 LEU H H 69 8.449 8.552 -0.103 1
1 856 . 1 1 1 A 69 69 LEU CA C 69 54.873 54.345 0.528 1
1 857 . 1 1 1 A 69 69 LEU HA H 69 4.437 4.639 -0.202 1
1 858 . 1 1 1 A 69 69 LEU CB C 69 42.345 41.292 1.053 1
1 871 . 1 1 1 A 69 69 LEU C C 69 176.147 176.700 -0.553 1
1 10 . 2 1 1 A 2 2 ASP N N 2 123.485 116.284 7.201 1
1 11 . 2 1 1 A 2 2 ASP H H 2 8.809 7.959 0.850 1
1 12 . 2 1 1 A 2 2 ASP CA C 2 54.244 55.216 -0.972 1
1 13 . 2 1 1 A 2 2 ASP HA H 2 4.673 4.190 0.483 1
1 14 . 2 1 1 A 2 2 ASP CB C 2 40.452 39.237 1.215 1
1 17 . 2 1 1 A 2 2 ASP C C 2 175.771 175.327 0.444 1
1 18 . 2 1 1 A 3 3 GLU N N 3 121.725 118.627 3.098 1
1 19 . 2 1 1 A 3 3 GLU H H 3 8.684 8.285 0.399 1
1 20 . 2 1 1 A 3 3 GLU CA C 3 56.162 56.199 -0.037 1
1 21 . 2 1 1 A 3 3 GLU HA H 3 4.392 4.557 -0.165 1
1 22 . 2 1 1 A 3 3 GLU CB C 3 29.170 30.392 -1.222 1
1 28 . 2 1 1 A 3 3 GLU C C 3 176.546 176.044 0.502 1
1 29 . 2 1 1 A 4 4 THR N N 4 114.384 116.254 -1.870 1
1 30 . 2 1 1 A 4 4 THR H H 4 8.303 8.672 -0.369 1
1 31 . 2 1 1 A 4 4 THR CA C 4 62.347 61.662 0.685 1
1 32 . 2 1 1 A 4 4 THR HA H 4 4.278 4.813 -0.535 1
1 33 . 2 1 1 A 4 4 THR CB C 4 69.672 71.230 -1.558 1
1 39 . 2 1 1 A 4 4 THR C C 4 175.306 172.607 2.699 1
1 40 . 2 1 1 A 5 5 GLY N N 5 111.296 116.170 -4.874 1
1 41 . 2 1 1 A 5 5 GLY H H 5 8.422 8.631 -0.209 1
1 42 . 2 1 1 A 5 5 GLY CA C 5 45.302 45.647 -0.345 1
1 43 . 2 1 1 A 5 5 GLY HA2 H 5 3.928 4.186 -0.258 1
1 44 . 2 1 1 A 5 5 GLY HA3 H 5 3.928 4.188 -0.260 1
1 45 . 2 1 1 A 5 5 GLY C C 5 173.689 174.950 -1.261 1
1 46 . 2 1 1 A 6 6 LYS N N 6 119.850 116.986 2.864 1
1 47 . 2 1 1 A 6 6 LYS H H 6 8.008 7.756 0.252 1
1 48 . 2 1 1 A 6 6 LYS CA C 6 55.401 56.885 -1.484 1
1 49 . 2 1 1 A 6 6 LYS HA H 6 4.381 4.413 -0.032 1
1 50 . 2 1 1 A 6 6 LYS CB C 6 33.225 35.193 -1.968 1
1 62 . 2 1 1 A 6 6 LYS C C 6 175.948 176.263 -0.315 1
1 63 . 2 1 1 A 7 7 GLU N N 7 122.488 115.529 6.959 1
1 64 . 2 1 1 A 7 7 GLU H H 7 8.577 7.529 1.048 1
1 65 . 2 1 1 A 7 7 GLU CA C 7 55.690 55.946 -0.256 1
1 66 . 2 1 1 A 7 7 GLU HA H 7 4.495 4.616 -0.121 1
1 67 . 2 1 1 A 7 7 GLU CB C 7 30.382 32.744 -2.362 1
1 73 . 2 1 1 A 7 7 GLU C C 7 174.109 174.330 -0.221 1
1 74 . 2 1 1 A 8 8 LEU N N 8 123.063 123.023 0.040 1
1 75 . 2 1 1 A 8 8 LEU H H 8 8.485 8.531 -0.046 1
1 76 . 2 1 1 A 8 8 LEU CA C 8 53.331 53.549 -0.218 1
1 77 . 2 1 1 A 8 8 LEU HA H 8 5.381 5.088 0.293 1
1 78 . 2 1 1 A 8 8 LEU CB C 8 45.077 46.424 -1.347 1
1 91 . 2 1 1 A 8 8 LEU C C 8 177.344 175.584 1.760 1
1 92 . 2 1 1 A 9 9 VAL N N 9 111.683 117.758 -6.075 1
1 93 . 2 1 1 A 9 9 VAL H H 9 9.111 9.308 -0.197 1
1 94 . 2 1 1 A 9 9 VAL CA C 9 57.854 59.348 -1.494 1
1 95 . 2 1 1 A 9 9 VAL HA H 9 5.214 5.025 0.189 1
1 96 . 2 1 1 A 9 9 VAL CB C 9 35.864 34.909 0.955 1
1 106 . 2 1 1 A 9 9 VAL C C 9 172.404 174.217 -1.813 1
1 107 . 2 1 1 A 10 10 LEU N N 10 123.366 127.148 -3.782 1
1 108 . 2 1 1 A 10 10 LEU H H 10 8.971 9.098 -0.127 1
1 109 . 2 1 1 A 10 10 LEU CA C 10 52.445 53.884 -1.439 1
1 110 . 2 1 1 A 10 10 LEU HA H 10 5.100 5.043 0.057 1
1 111 . 2 1 1 A 10 10 LEU CB C 10 46.711 44.101 2.610 1
1 124 . 2 1 1 A 10 10 LEU C C 10 176.568 175.664 0.904 1
1 125 . 2 1 1 A 11 11 ALA N N 11 127.241 129.513 -2.272 1
1 126 . 2 1 1 A 11 11 ALA H H 11 9.160 9.185 -0.025 1
1 127 . 2 1 1 A 11 11 ALA CA C 11 52.416 51.497 0.919 1
1 128 . 2 1 1 A 11 11 ALA HA H 11 4.610 4.417 0.193 1
1 132 . 2 1 1 A 11 11 ALA CB C 11 19.051 17.744 1.307 1
1 133 . 2 1 1 A 11 11 ALA C C 11 178.252 177.748 0.504 1
1 134 . 2 1 1 A 12 12 LEU N N 12 127.842 125.669 2.173 1
1 135 . 2 1 1 A 12 12 LEU H H 12 9.257 8.091 1.166 1
1 136 . 2 1 1 A 12 12 LEU CA C 12 55.585 57.635 -2.050 1
1 137 . 2 1 1 A 12 12 LEU HA H 12 3.884 3.827 0.057 1
1 138 . 2 1 1 A 12 12 LEU CB C 12 43.192 41.648 1.544 1
1 151 . 2 1 1 A 12 12 LEU C C 12 174.951 176.443 -1.492 1
1 152 . 2 1 1 A 13 13 TYR N N 13 111.673 115.083 -3.410 1
1 153 . 2 1 1 A 13 13 TYR H H 13 7.129 8.105 -0.976 1
1 154 . 2 1 1 A 13 13 TYR CA C 13 54.530 56.548 -2.018 1
1 155 . 2 1 1 A 13 13 TYR HA H 13 4.617 5.256 -0.639 1
1 156 . 2 1 1 A 13 13 TYR CB C 13 42.982 41.578 1.404 1
1 167 . 2 1 1 A 13 13 TYR C C 13 173.600 175.675 -2.075 1
1 168 . 2 1 1 A 14 14 ASP N N 14 117.888 121.987 -4.099 1
1 169 . 2 1 1 A 14 14 ASP H H 14 8.328 8.908 -0.580 1
1 170 . 2 1 1 A 14 14 ASP CA C 14 54.527 53.824 0.703 1
1 171 . 2 1 1 A 14 14 ASP HA H 14 4.615 4.958 -0.343 1
1 172 . 2 1 1 A 14 14 ASP CB C 14 41.351 41.786 -0.435 1
1 175 . 2 1 1 A 14 14 ASP C C 14 176.125 175.260 0.865 1
1 176 . 2 1 1 A 15 15 TYR N N 15 120.102 122.188 -2.086 1
1 177 . 2 1 1 A 15 15 TYR H H 15 8.733 8.869 -0.136 1
1 178 . 2 1 1 A 15 15 TYR CA C 15 59.669 57.324 2.345 1
1 179 . 2 1 1 A 15 15 TYR HA H 15 4.662 5.036 -0.374 1
1 180 . 2 1 1 A 15 15 TYR CB C 15 43.400 42.023 1.377 1
1 191 . 2 1 1 A 15 15 TYR C C 15 172.803 173.310 -0.507 1
1 192 . 2 1 1 A 16 16 GLN N N 16 126.945 124.309 2.636 1
1 193 . 2 1 1 A 16 16 GLN H H 16 7.546 7.768 -0.222 1
1 194 . 2 1 1 A 16 16 GLN CA C 16 53.820 54.916 -1.096 1
1 195 . 2 1 1 A 16 16 GLN HA H 16 4.500 4.830 -0.330 1
1 196 . 2 1 1 A 16 16 GLN CB C 16 29.378 30.960 -1.582 1
1 202 . 2 1 1 A 16 16 GLN C C 16 173.910 174.475 -0.565 1
1 203 . 2 1 1 A 17 17 GLU N N 17 123.035 123.865 -0.830 1
1 204 . 2 1 1 A 17 17 GLU H H 17 7.930 8.815 -0.885 1
1 205 . 2 1 1 A 17 17 GLU CA C 17 56.078 56.764 -0.686 1
1 206 . 2 1 1 A 17 17 GLU HA H 17 4.211 4.190 0.021 1
1 207 . 2 1 1 A 17 17 GLU CB C 17 29.520 30.280 -0.760 1
1 213 . 2 1 1 A 17 17 GLU C C 17 175.926 176.863 -0.937 1
1 214 . 2 1 1 A 18 18 LYS N N 18 120.770 119.738 1.032 1
1 215 . 2 1 1 A 18 18 LYS H H 18 8.801 8.759 0.042 1
1 216 . 2 1 1 A 18 18 LYS CA C 18 55.164 56.422 -1.258 1
1 217 . 2 1 1 A 18 18 LYS HA H 18 4.424 4.595 -0.171 1
1 218 . 2 1 1 A 18 18 LYS CB C 18 33.328 34.551 -1.223 1
1 230 . 2 1 1 A 18 18 LYS C C 18 176.192 176.247 -0.055 1
1 231 . 2 1 1 A 19 19 SER N N 19 114.841 115.754 -0.913 1
1 232 . 2 1 1 A 19 19 SER H H 19 7.619 7.885 -0.266 1
1 233 . 2 1 1 A 19 19 SER CA C 19 56.678 55.682 0.996 1
1 234 . 2 1 1 A 19 19 SER HA H 19 4.863 4.936 -0.073 1
1 235 . 2 1 1 A 19 19 SER CB C 19 64.060 64.922 -0.862 1
1 239 . 2 1 1 A 20 20 PRO CA C 20 64.803 64.620 0.183 1
1 240 . 2 1 1 A 20 20 PRO HA H 20 4.549 4.476 0.073 1
1 241 . 2 1 1 A 20 20 PRO CB C 20 31.894 32.038 -0.144 1
1 249 . 2 1 1 A 20 20 PRO C C 20 176.679 178.056 -1.377 1
1 250 . 2 1 1 A 21 21 ARG N N 21 113.864 117.671 -3.807 1
1 251 . 2 1 1 A 21 21 ARG H H 21 7.687 8.231 -0.544 1
1 252 . 2 1 1 A 21 21 ARG CA C 21 56.119 58.669 -2.550 1
1 253 . 2 1 1 A 21 21 ARG HA H 21 4.598 4.233 0.365 1
1 254 . 2 1 1 A 21 21 ARG CB C 21 30.299 30.217 0.082 1
1 263 . 2 1 1 A 21 21 ARG C C 21 176.369 176.887 -0.518 1
1 264 . 2 1 1 A 22 22 GLU N N 22 121.539 120.121 1.418 1
1 265 . 2 1 1 A 22 22 GLU H H 22 7.842 7.795 0.047 1
1 266 . 2 1 1 A 22 22 GLU CA C 22 54.951 56.074 -1.123 1
1 267 . 2 1 1 A 22 22 GLU HA H 22 5.484 4.628 0.856 1
1 268 . 2 1 1 A 22 22 GLU CB C 22 33.535 31.288 2.247 1
1 274 . 2 1 1 A 22 22 GLU C C 22 174.375 175.641 -1.266 1
1 275 . 2 1 1 A 23 23 VAL N N 23 111.923 119.291 -7.368 1
1 276 . 2 1 1 A 23 23 VAL H H 23 7.373 8.413 -1.040 1
1 277 . 2 1 1 A 23 23 VAL CA C 23 59.570 59.405 0.165 1
1 278 . 2 1 1 A 23 23 VAL HA H 23 4.531 5.106 -0.575 1
1 279 . 2 1 1 A 23 23 VAL CB C 23 34.667 36.333 -1.666 1
1 289 . 2 1 1 A 23 23 VAL C C 23 172.625 173.733 -1.108 1
1 290 . 2 1 1 A 24 24 THR N N 24 117.656 115.514 2.142 1
1 291 . 2 1 1 A 24 24 THR H H 24 7.112 8.817 -1.705 1
1 292 . 2 1 1 A 24 24 THR CA C 24 61.994 60.385 1.609 1
1 293 . 2 1 1 A 24 24 THR HA H 24 5.119 5.109 0.010 1
1 294 . 2 1 1 A 24 24 THR CB C 24 71.220 70.670 0.550 1
1 300 . 2 1 1 A 24 24 THR C C 24 174.309 172.422 1.887 1
1 301 . 2 1 1 A 25 25 MET N N 25 122.056 121.514 0.542 1
1 302 . 2 1 1 A 25 25 MET H H 25 9.515 8.925 0.590 1
1 303 . 2 1 1 A 25 25 MET CA C 25 54.247 53.943 0.304 1
1 304 . 2 1 1 A 25 25 MET HA H 25 4.935 5.174 -0.239 1
1 305 . 2 1 1 A 25 25 MET CB C 25 36.287 35.989 0.298 1
1 312 . 2 1 1 A 25 25 MET C C 25 173.777 173.808 -0.031 1
1 313 . 2 1 1 A 26 26 LYS N N 26 124.668 121.574 3.094 1
1 314 . 2 1 1 A 26 26 LYS H H 26 8.949 8.885 0.064 1
1 315 . 2 1 1 A 26 26 LYS CA C 26 53.476 54.244 -0.768 1
1 316 . 2 1 1 A 26 26 LYS HA H 26 4.896 5.043 -0.147 1
1 317 . 2 1 1 A 26 26 LYS CB C 26 34.097 35.917 -1.820 1
1 327 . 2 1 1 A 26 26 LYS C C 26 174.929 175.689 -0.760 1
1 328 . 2 1 1 A 27 27 LYS N N 27 122.567 124.416 -1.849 1
1 329 . 2 1 1 A 27 27 LYS H H 27 9.061 8.753 0.308 1
1 330 . 2 1 1 A 27 27 LYS CA C 27 58.539 58.667 -0.128 1
1 331 . 2 1 1 A 27 27 LYS HA H 27 4.656 4.077 0.579 1
1 332 . 2 1 1 A 27 27 LYS CB C 27 32.202 32.104 0.098 1
1 344 . 2 1 1 A 27 27 LYS C C 27 177.344 177.423 -0.079 1
1 345 . 2 1 1 A 28 28 GLY N N 28 115.884 112.194 3.690 1
1 346 . 2 1 1 A 28 28 GLY H H 28 8.900 9.024 -0.124 1
1 347 . 2 1 1 A 28 28 GLY CA C 28 44.779 45.350 -0.571 1
1 348 . 2 1 1 A 28 28 GLY HA2 H 28 3.523 3.928 -0.405 1
1 349 . 2 1 1 A 28 28 GLY HA3 H 28 4.469 3.934 0.535 1
1 350 . 2 1 1 A 28 28 GLY C C 28 174.021 173.742 0.279 1
1 351 . 2 1 1 A 29 29 ASP N N 29 122.466 121.039 1.427 1
1 352 . 2 1 1 A 29 29 ASP H H 29 8.513 8.079 0.434 1
1 353 . 2 1 1 A 29 29 ASP CA C 29 55.711 53.255 2.456 1
1 354 . 2 1 1 A 29 29 ASP HA H 29 4.523 4.930 -0.407 1
1 355 . 2 1 1 A 29 29 ASP CB C 29 41.361 42.631 -1.270 1
1 358 . 2 1 1 A 29 29 ASP C C 29 174.331 175.401 -1.070 1
1 359 . 2 1 1 A 30 30 ILE N N 30 120.470 122.601 -2.131 1
1 360 . 2 1 1 A 30 30 ILE H H 30 8.204 8.525 -0.321 1
1 361 . 2 1 1 A 30 30 ILE CA C 30 60.164 60.623 -0.459 1
1 362 . 2 1 1 A 30 30 ILE HA H 30 5.025 5.264 -0.239 1
1 363 . 2 1 1 A 30 30 ILE CB C 30 38.257 41.118 -2.861 1
1 372 . 2 1 1 A 30 30 ILE C C 30 176.236 174.499 1.737 1
1 373 . 2 1 1 A 31 31 LEU N N 31 128.265 127.854 0.411 1
1 374 . 2 1 1 A 31 31 LEU H H 31 9.353 9.201 0.152 1
1 375 . 2 1 1 A 31 31 LEU CA C 31 53.601 53.254 0.347 1
1 376 . 2 1 1 A 31 31 LEU HA H 31 4.998 5.231 -0.233 1
1 377 . 2 1 1 A 31 31 LEU CB C 31 43.893 44.580 -0.687 1
1 388 . 2 1 1 A 31 31 LEU C C 31 175.638 176.404 -0.766 1
1 389 . 2 1 1 A 32 32 THR N N 32 117.089 119.659 -2.570 1
1 390 . 2 1 1 A 32 32 THR H H 32 8.141 8.706 -0.565 1
1 391 . 2 1 1 A 32 32 THR CA C 32 63.263 63.567 -0.304 1
1 392 . 2 1 1 A 32 32 THR HA H 32 4.619 4.530 0.089 1
1 393 . 2 1 1 A 32 32 THR CB C 32 69.867 68.941 0.926 1
1 399 . 2 1 1 A 32 32 THR C C 32 173.600 174.632 -1.032 1
1 400 . 2 1 1 A 33 33 LEU N N 33 129.212 128.252 0.960 1
1 401 . 2 1 1 A 33 33 LEU H H 33 9.070 8.648 0.422 1
1 402 . 2 1 1 A 33 33 LEU CA C 33 54.671 56.252 -1.581 1
1 403 . 2 1 1 A 33 33 LEU HA H 33 4.356 4.295 0.061 1
1 404 . 2 1 1 A 33 33 LEU CB C 33 42.968 42.319 0.649 1
1 417 . 2 1 1 A 33 33 LEU C C 33 174.553 175.955 -1.402 1
1 418 . 2 1 1 A 34 34 LEU N N 34 125.880 127.455 -1.575 1
1 419 . 2 1 1 A 34 34 LEU H H 34 9.051 9.347 -0.296 1
1 420 . 2 1 1 A 34 34 LEU CA C 34 54.811 55.882 -1.071 1
1 421 . 2 1 1 A 34 34 LEU HA H 34 4.532 4.429 0.103 1
1 422 . 2 1 1 A 34 34 LEU CB C 34 42.977 43.064 -0.087 1
1 434 . 2 1 1 A 34 34 LEU C C 34 177.477 176.940 0.537 1
1 435 . 2 1 1 A 35 35 ASN N N 35 113.971 115.775 -1.804 1
1 436 . 2 1 1 A 35 35 ASN H H 35 7.600 7.817 -0.217 1
1 437 . 2 1 1 A 35 35 ASN CA C 35 54.543 52.721 1.822 1
1 438 . 2 1 1 A 35 35 ASN HA H 35 4.680 5.116 -0.436 1
1 439 . 2 1 1 A 35 35 ASN CB C 35 40.958 41.517 -0.559 1
1 443 . 2 1 1 A 35 35 ASN C C 35 174.375 174.024 0.351 1
1 444 . 2 1 1 A 36 36 SER N N 36 123.815 117.761 6.054 1
1 445 . 2 1 1 A 36 36 SER H H 36 9.194 8.530 0.664 1
1 446 . 2 1 1 A 36 36 SER CA C 36 56.692 56.786 -0.094 1
1 447 . 2 1 1 A 36 36 SER HA H 36 3.921 4.946 -1.025 1
1 448 . 2 1 1 A 36 36 SER CB C 36 62.180 62.700 -0.520 1
1 451 . 2 1 1 A 36 36 SER C C 36 173.401 175.389 -1.988 1
1 452 . 2 1 1 A 37 37 THR N N 37 115.041 115.946 -0.905 1
1 453 . 2 1 1 A 37 37 THR H H 37 8.178 7.792 0.386 1
1 454 . 2 1 1 A 37 37 THR CA C 37 65.484 64.806 0.678 1
1 455 . 2 1 1 A 37 37 THR HA H 37 4.528 4.168 0.360 1
1 456 . 2 1 1 A 37 37 THR CB C 37 69.416 69.158 0.258 1
1 462 . 2 1 1 A 37 37 THR C C 37 175.261 174.146 1.115 1
1 463 . 2 1 1 A 38 38 ASN N N 38 122.494 119.435 3.059 1
1 464 . 2 1 1 A 38 38 ASN H H 38 8.674 8.038 0.636 1
1 465 . 2 1 1 A 38 38 ASN CA C 38 53.188 51.507 1.681 1
1 466 . 2 1 1 A 38 38 ASN HA H 38 4.863 5.194 -0.331 1
1 467 . 2 1 1 A 38 38 ASN CB C 38 40.525 41.522 -0.997 1
1 470 . 2 1 1 A 38 38 ASN C C 38 174.575 175.600 -1.025 1
1 471 . 2 1 1 A 39 39 LYS N N 39 120.915 121.718 -0.803 1
1 472 . 2 1 1 A 39 39 LYS H H 39 8.510 8.534 -0.024 1
1 473 . 2 1 1 A 39 39 LYS CA C 39 58.333 57.019 1.314 1
1 474 . 2 1 1 A 39 39 LYS HA H 39 4.247 4.984 -0.737 1
1 475 . 2 1 1 A 39 39 LYS CB C 39 32.520 34.558 -2.038 1
1 485 . 2 1 1 A 39 39 LYS C C 39 176.236 177.803 -1.567 1
1 486 . 2 1 1 A 40 40 ASP N N 40 114.628 118.231 -3.603 1
1 487 . 2 1 1 A 40 40 ASP H H 40 8.173 7.984 0.189 1
1 488 . 2 1 1 A 40 40 ASP CA C 40 55.380 56.144 -0.764 1
1 489 . 2 1 1 A 40 40 ASP HA H 40 4.544 4.312 0.232 1
1 490 . 2 1 1 A 40 40 ASP CB C 40 43.415 42.061 1.354 1
1 493 . 2 1 1 A 40 40 ASP C C 40 176.967 175.991 0.976 1
1 494 . 2 1 1 A 41 41 TRP N N 41 122.703 115.862 6.841 1
1 495 . 2 1 1 A 41 41 TRP H H 41 8.209 7.660 0.549 1
1 496 . 2 1 1 A 41 41 TRP CA C 41 56.184 56.050 0.134 1
1 497 . 2 1 1 A 41 41 TRP HA H 41 5.075 5.347 -0.272 1
1 498 . 2 1 1 A 41 41 TRP CB C 41 32.019 33.589 -1.570 1
1 513 . 2 1 1 A 41 41 TRP C C 41 174.176 175.098 -0.922 1
1 514 . 2 1 1 A 42 42 TRP N N 42 124.895 121.633 3.262 1
1 515 . 2 1 1 A 42 42 TRP H H 42 9.366 8.952 0.414 1
1 516 . 2 1 1 A 42 42 TRP CA C 42 54.076 55.537 -1.461 1
1 517 . 2 1 1 A 42 42 TRP HA H 42 5.523 5.361 0.162 1
1 518 . 2 1 1 A 42 42 TRP CB C 42 31.447 32.999 -1.552 1
1 533 . 2 1 1 A 42 42 TRP C C 42 174.109 175.347 -1.238 1
1 534 . 2 1 1 A 43 43 LYS N N 43 124.120 124.340 -0.220 1
1 535 . 2 1 1 A 43 43 LYS H H 43 8.883 9.189 -0.306 1
1 536 . 2 1 1 A 43 43 LYS CA C 43 55.158 55.852 -0.694 1
1 537 . 2 1 1 A 43 43 LYS HA H 43 4.368 4.722 -0.354 1
1 538 . 2 1 1 A 43 43 LYS CB C 43 33.794 33.285 0.509 1
1 550 . 2 1 1 A 43 43 LYS C C 43 175.416 176.082 -0.666 1
1 551 . 2 1 1 A 44 44 VAL N N 44 122.055 121.040 1.015 1
1 552 . 2 1 1 A 44 44 VAL H H 44 9.427 9.014 0.413 1
1 553 . 2 1 1 A 44 44 VAL CA C 44 58.825 58.921 -0.096 1
1 554 . 2 1 1 A 44 44 VAL HA H 44 5.375 5.131 0.244 1
1 555 . 2 1 1 A 44 44 VAL CB C 44 36.593 35.052 1.541 1
1 565 . 2 1 1 A 44 44 VAL C C 44 173.223 173.726 -0.503 1
1 566 . 2 1 1 A 45 45 GLU N N 45 118.673 122.732 -4.059 1
1 567 . 2 1 1 A 45 45 GLU H H 45 8.733 8.824 -0.091 1
1 568 . 2 1 1 A 45 45 GLU CA C 45 54.249 54.805 -0.556 1
1 569 . 2 1 1 A 45 45 GLU HA H 45 5.432 5.045 0.387 1
1 570 . 2 1 1 A 45 45 GLU CB C 45 33.286 31.196 2.090 1
1 576 . 2 1 1 A 45 45 GLU C C 45 174.774 175.481 -0.707 1
1 577 . 2 1 1 A 46 46 VAL N N 46 123.551 127.183 -3.632 1
1 578 . 2 1 1 A 46 46 VAL H H 46 9.058 8.943 0.115 1
1 579 . 2 1 1 A 46 46 VAL CA C 46 59.627 61.477 -1.850 1
1 580 . 2 1 1 A 46 46 VAL HA H 46 4.669 4.634 0.035 1
1 581 . 2 1 1 A 46 46 VAL CB C 46 35.290 32.895 2.395 1
1 590 . 2 1 1 A 46 46 VAL C C 46 173.534 175.236 -1.702 1
1 591 . 2 1 1 A 47 47 LYS N N 47 124.992 124.847 0.145 1
1 592 . 2 1 1 A 47 47 LYS H H 47 8.446 8.237 0.209 1
1 593 . 2 1 1 A 47 47 LYS CA C 47 55.905 54.675 1.230 1
1 594 . 2 1 1 A 47 47 LYS HA H 47 4.763 4.993 -0.230 1
1 595 . 2 1 1 A 47 47 LYS CB C 47 33.450 34.935 -1.485 1
1 605 . 2 1 1 A 47 47 LYS C C 47 175.306 175.518 -0.212 1
1 606 . 2 1 1 A 48 48 ALA N N 48 128.781 122.240 6.541 1
1 607 . 2 1 1 A 48 48 ALA H H 48 8.757 8.525 0.232 1
1 608 . 2 1 1 A 48 48 ALA CA C 48 50.828 51.011 -0.183 1
1 609 . 2 1 1 A 48 48 ALA HA H 48 4.616 4.710 -0.094 1
1 613 . 2 1 1 A 48 48 ALA CB C 48 21.741 23.327 -1.586 1
1 614 . 2 1 1 A 48 48 ALA C C 48 175.173 174.967 0.206 1
1 615 . 2 1 1 A 49 49 THR N N 49 113.585 114.733 -1.148 1
1 616 . 2 1 1 A 49 49 THR H H 49 8.333 8.279 0.054 1
1 617 . 2 1 1 A 49 49 THR CA C 49 60.826 60.898 -0.072 1
1 618 . 2 1 1 A 49 49 THR HA H 49 5.257 5.514 -0.257 1
1 619 . 2 1 1 A 49 49 THR CB C 49 71.045 71.369 -0.324 1
1 624 . 2 1 1 A 49 49 THR C C 49 174.176 173.333 0.843 1
1 625 . 2 1 1 A 50 50 ALA N N 50 127.142 126.487 0.655 1
1 626 . 2 1 1 A 50 50 ALA H H 50 8.914 9.057 -0.143 1
1 627 . 2 1 1 A 50 50 ALA CA C 50 52.345 51.672 0.673 1
1 628 . 2 1 1 A 50 50 ALA HA H 50 4.603 4.637 -0.034 1
1 632 . 2 1 1 A 50 50 ALA CB C 50 20.935 22.677 -1.742 1
1 633 . 2 1 1 A 50 50 ALA C C 50 177.299 175.901 1.398 1
1 634 . 2 1 1 A 51 51 ASN N N 51 121.555 121.465 0.090 1
1 635 . 2 1 1 A 51 51 ASN H H 51 9.491 9.322 0.169 1
1 636 . 2 1 1 A 51 51 ASN CA C 51 54.177 54.459 -0.282 1
1 637 . 2 1 1 A 51 51 ASN HA H 51 4.389 4.445 -0.056 1
1 638 . 2 1 1 A 51 51 ASN CB C 51 37.413 37.297 0.116 1
1 641 . 2 1 1 A 51 51 ASN C C 51 175.106 175.626 -0.520 1
1 642 . 2 1 1 A 52 52 GLY N N 52 103.942 104.024 -0.082 1
1 643 . 2 1 1 A 52 52 GLY H H 52 8.681 8.698 -0.017 1
1 644 . 2 1 1 A 52 52 GLY CA C 52 45.443 45.897 -0.454 1
1 645 . 2 1 1 A 52 52 GLY HA2 H 52 3.624 3.881 -0.257 1
1 646 . 2 1 1 A 52 52 GLY HA3 H 52 4.143 3.884 0.259 1
1 647 . 2 1 1 A 52 52 GLY C C 52 173.666 173.844 -0.178 1
1 648 . 2 1 1 A 53 53 LYS N N 53 121.213 120.181 1.032 1
1 649 . 2 1 1 A 53 53 LYS H H 53 7.893 7.973 -0.080 1
1 650 . 2 1 1 A 53 53 LYS CA C 53 54.807 54.153 0.654 1
1 651 . 2 1 1 A 53 53 LYS HA H 53 4.727 4.921 -0.194 1
1 652 . 2 1 1 A 53 53 LYS CB C 53 34.737 35.916 -1.179 1
1 664 . 2 1 1 A 53 53 LYS C C 53 175.239 175.168 0.071 1
1 665 . 2 1 1 A 54 54 THR N N 54 118.501 113.304 5.197 1
1 666 . 2 1 1 A 54 54 THR H H 54 8.498 8.968 -0.470 1
1 667 . 2 1 1 A 54 54 THR CA C 54 61.925 60.779 1.146 1
1 668 . 2 1 1 A 54 54 THR HA H 54 5.117 5.626 -0.509 1
1 669 . 2 1 1 A 54 54 THR CB C 54 70.294 70.612 -0.318 1
1 675 . 2 1 1 A 54 54 THR C C 54 173.733 173.631 0.102 1
1 676 . 2 1 1 A 55 55 TYR N N 55 125.105 119.505 5.600 1
1 677 . 2 1 1 A 55 55 TYR H H 55 9.122 9.267 -0.145 1
1 678 . 2 1 1 A 55 55 TYR CA C 55 56.149 55.370 0.779 1
1 679 . 2 1 1 A 55 55 TYR HA H 55 4.857 5.325 -0.468 1
1 680 . 2 1 1 A 55 55 TYR CB C 55 40.090 41.519 -1.429 1
1 691 . 2 1 1 A 55 55 TYR C C 55 172.847 173.151 -0.304 1
1 692 . 2 1 1 A 56 56 GLU N N 56 119.744 118.842 0.902 1
1 693 . 2 1 1 A 56 56 GLU H H 56 8.503 9.060 -0.557 1
1 694 . 2 1 1 A 56 56 GLU CA C 56 54.739 55.234 -0.495 1
1 695 . 2 1 1 A 56 56 GLU HA H 56 5.030 5.289 -0.259 1
1 696 . 2 1 1 A 56 56 GLU CB C 56 30.297 34.706 -4.409 1
1 701 . 2 1 1 A 56 56 GLU C C 56 175.394 174.914 0.480 1
1 702 . 2 1 1 A 57 57 ARG N N 57 123.665 119.592 4.073 1
1 703 . 2 1 1 A 57 57 ARG H H 57 8.897 9.163 -0.266 1
1 704 . 2 1 1 A 57 57 ARG CA C 57 54.944 54.426 0.518 1
1 705 . 2 1 1 A 57 57 ARG HA H 57 4.663 5.075 -0.412 1
1 706 . 2 1 1 A 57 57 ARG CB C 57 33.471 33.983 -0.512 1
1 713 . 2 1 1 A 57 57 ARG C C 57 174.198 174.300 -0.102 1
1 714 . 2 1 1 A 58 58 GLN N N 58 119.967 121.964 -1.997 1
1 715 . 2 1 1 A 58 58 GLN H H 58 8.604 8.531 0.073 1
1 716 . 2 1 1 A 58 58 GLN CA C 58 53.394 55.096 -1.702 1
1 717 . 2 1 1 A 58 58 GLN HA H 58 5.602 4.924 0.678 1
1 718 . 2 1 1 A 58 58 GLN CB C 58 31.229 29.760 1.469 1
1 724 . 2 1 1 A 58 58 GLN C C 58 175.771 175.792 -0.021 1
1 725 . 2 1 1 A 59 59 GLY N N 59 107.507 109.772 -2.265 1
1 726 . 2 1 1 A 59 59 GLY H H 59 8.652 8.741 -0.089 1
1 727 . 2 1 1 A 59 59 GLY CA C 59 45.583 45.410 0.173 1
1 728 . 2 1 1 A 59 59 GLY HA2 H 59 3.947 4.294 -0.347 1
1 729 . 2 1 1 A 59 59 GLY HA3 H 59 3.947 4.368 -0.421 1
1 730 . 2 1 1 A 59 59 GLY C C 59 170.255 171.822 -1.567 1
1 731 . 2 1 1 A 60 60 PHE N N 60 119.079 119.263 -0.184 1
1 732 . 2 1 1 A 60 60 PHE H H 60 9.153 8.770 0.383 1
1 733 . 2 1 1 A 60 60 PHE CA C 60 58.544 56.721 1.823 1
1 734 . 2 1 1 A 60 60 PHE HA H 60 5.666 5.731 -0.065 1
1 735 . 2 1 1 A 60 60 PHE CB C 60 42.484 42.222 0.262 1
1 748 . 2 1 1 A 60 60 PHE C C 60 175.461 175.573 -0.112 1
1 749 . 2 1 1 A 61 61 VAL N N 61 110.995 116.838 -5.843 1
1 750 . 2 1 1 A 61 61 VAL H H 61 9.065 9.127 -0.062 1
1 751 . 2 1 1 A 61 61 VAL CA C 61 58.189 58.180 0.009 1
1 752 . 2 1 1 A 61 61 VAL HA H 61 4.823 5.050 -0.227 1
1 753 . 2 1 1 A 61 61 VAL CB C 61 33.521 34.520 -0.999 1
1 764 . 2 1 1 A 62 62 PRO CA C 62 61.852 61.727 0.125 1
1 765 . 2 1 1 A 62 62 PRO HA H 62 3.556 3.590 -0.034 1
1 766 . 2 1 1 A 62 62 PRO CB C 62 29.777 30.701 -0.924 1
1 774 . 2 1 1 A 62 62 PRO C C 62 177.787 177.221 0.566 1
1 775 . 2 1 1 A 63 63 ALA N N 63 129.142 127.824 1.318 1
1 776 . 2 1 1 A 63 63 ALA H H 63 7.477 8.170 -0.693 1
1 777 . 2 1 1 A 63 63 ALA CA C 63 54.472 53.590 0.882 1
1 778 . 2 1 1 A 63 63 ALA HA H 63 2.652 3.036 -0.384 1
1 782 . 2 1 1 A 63 63 ALA CB C 63 15.666 17.230 -1.564 1
1 783 . 2 1 1 A 63 63 ALA C C 63 178.429 178.666 -0.237 1
1 784 . 2 1 1 A 64 64 ALA N N 64 113.522 119.405 -5.883 1
1 785 . 2 1 1 A 64 64 ALA H H 64 7.867 7.370 0.497 1
1 786 . 2 1 1 A 64 64 ALA CA C 64 52.768 54.230 -1.462 1
1 787 . 2 1 1 A 64 64 ALA HA H 64 4.006 3.970 0.036 1
1 791 . 2 1 1 A 64 64 ALA CB C 64 17.629 18.062 -0.433 1
1 792 . 2 1 1 A 64 64 ALA C C 64 178.097 178.086 0.011 1
1 793 . 2 1 1 A 65 65 TYR N N 65 116.109 116.359 -0.250 1
1 794 . 2 1 1 A 65 65 TYR H H 65 7.698 7.881 -0.183 1
1 795 . 2 1 1 A 65 65 TYR CA C 65 56.328 59.033 -2.705 1
1 796 . 2 1 1 A 65 65 TYR HA H 65 4.758 4.737 0.021 1
1 797 . 2 1 1 A 65 65 TYR CB C 65 37.765 40.139 -2.374 1
1 808 . 2 1 1 A 65 65 TYR C C 65 174.375 175.770 -1.395 1
1 809 . 2 1 1 A 66 66 VAL N N 66 111.053 114.454 -3.401 1
1 810 . 2 1 1 A 66 66 VAL H H 66 7.415 7.182 0.233 1
1 811 . 2 1 1 A 66 66 VAL CA C 66 58.119 59.215 -1.096 1
1 812 . 2 1 1 A 66 66 VAL HA H 66 5.538 5.144 0.394 1
1 813 . 2 1 1 A 66 66 VAL CB C 66 35.809 35.036 0.773 1
1 823 . 2 1 1 A 66 66 VAL C C 66 173.511 174.058 -0.547 1
1 824 . 2 1 1 A 67 67 LYS N N 67 118.588 123.328 -4.740 1
1 825 . 2 1 1 A 67 67 LYS H H 67 8.631 9.043 -0.412 1
1 826 . 2 1 1 A 67 67 LYS CA C 67 54.035 54.682 -0.647 1
1 827 . 2 1 1 A 67 67 LYS HA H 67 4.830 5.539 -0.709 1
1 828 . 2 1 1 A 67 67 LYS CB C 67 36.779 35.736 1.043 1
1 838 . 2 1 1 A 67 67 LYS C C 67 175.992 176.109 -0.117 1
1 839 . 2 1 1 A 68 68 LYS N N 68 125.838 122.976 2.862 1
1 840 . 2 1 1 A 68 68 LYS H H 68 9.227 8.453 0.774 1
1 841 . 2 1 1 A 68 68 LYS CA C 68 58.335 56.388 1.947 1
1 842 . 2 1 1 A 68 68 LYS HA H 68 4.494 4.113 0.381 1
1 843 . 2 1 1 A 68 68 LYS CB C 68 32.893 32.505 0.388 1
1 853 . 2 1 1 A 68 68 LYS C C 68 176.657 176.460 0.197 1
1 854 . 2 1 1 A 69 69 LEU N N 69 125.443 124.185 1.258 1
1 855 . 2 1 1 A 69 69 LEU H H 69 8.449 8.785 -0.336 1
1 856 . 2 1 1 A 69 69 LEU CA C 69 54.873 53.546 1.327 1
1 857 . 2 1 1 A 69 69 LEU HA H 69 4.437 4.674 -0.237 1
1 858 . 2 1 1 A 69 69 LEU CB C 69 42.345 41.510 0.835 1
1 871 . 2 1 1 A 69 69 LEU C C 69 176.147 175.305 0.842 1
1 10 . 3 1 1 A 2 2 ASP N N 2 123.485 125.597 -2.112 1
1 11 . 3 1 1 A 2 2 ASP H H 2 8.809 8.874 -0.065 1
1 12 . 3 1 1 A 2 2 ASP CA C 2 54.244 53.325 0.919 1
1 13 . 3 1 1 A 2 2 ASP HA H 2 4.673 5.039 -0.366 1
1 14 . 3 1 1 A 2 2 ASP CB C 2 40.452 40.978 -0.526 1
1 17 . 3 1 1 A 2 2 ASP C C 2 175.771 176.080 -0.309 1
1 18 . 3 1 1 A 3 3 GLU N N 3 121.725 119.026 2.699 1
1 19 . 3 1 1 A 3 3 GLU H H 3 8.684 7.912 0.772 1
1 20 . 3 1 1 A 3 3 GLU CA C 3 56.162 55.942 0.220 1
1 21 . 3 1 1 A 3 3 GLU HA H 3 4.392 4.615 -0.223 1
1 22 . 3 1 1 A 3 3 GLU CB C 3 29.170 30.200 -1.030 1
1 28 . 3 1 1 A 3 3 GLU C C 3 176.546 175.137 1.409 1
1 29 . 3 1 1 A 4 4 THR N N 4 114.384 110.907 3.477 1
1 30 . 3 1 1 A 4 4 THR H H 4 8.303 7.580 0.723 1
1 31 . 3 1 1 A 4 4 THR CA C 4 62.347 60.299 2.048 1
1 32 . 3 1 1 A 4 4 THR HA H 4 4.278 4.920 -0.642 1
1 33 . 3 1 1 A 4 4 THR CB C 4 69.672 71.074 -1.402 1
1 39 . 3 1 1 A 4 4 THR C C 4 175.306 173.384 1.922 1
1 40 . 3 1 1 A 5 5 GLY N N 5 111.296 109.597 1.699 1
1 41 . 3 1 1 A 5 5 GLY H H 5 8.422 8.304 0.118 1
1 42 . 3 1 1 A 5 5 GLY CA C 5 45.302 45.530 -0.228 1
1 43 . 3 1 1 A 5 5 GLY HA2 H 5 3.928 3.975 -0.047 1
1 44 . 3 1 1 A 5 5 GLY HA3 H 5 3.928 3.975 -0.047 1
1 45 . 3 1 1 A 5 5 GLY C C 5 173.689 175.551 -1.862 1
1 46 . 3 1 1 A 6 6 LYS N N 6 119.850 119.831 0.019 1
1 47 . 3 1 1 A 6 6 LYS H H 6 8.008 8.269 -0.261 1
1 48 . 3 1 1 A 6 6 LYS CA C 6 55.401 58.491 -3.090 1
1 49 . 3 1 1 A 6 6 LYS HA H 6 4.381 4.117 0.264 1
1 50 . 3 1 1 A 6 6 LYS CB C 6 33.225 32.303 0.922 1
1 62 . 3 1 1 A 6 6 LYS C C 6 175.948 176.326 -0.378 1
1 63 . 3 1 1 A 7 7 GLU N N 7 122.488 118.860 3.628 1
1 64 . 3 1 1 A 7 7 GLU H H 7 8.577 7.780 0.797 1
1 65 . 3 1 1 A 7 7 GLU CA C 7 55.690 56.144 -0.454 1
1 66 . 3 1 1 A 7 7 GLU HA H 7 4.495 4.627 -0.132 1
1 67 . 3 1 1 A 7 7 GLU CB C 7 30.382 32.885 -2.503 1
1 73 . 3 1 1 A 7 7 GLU C C 7 174.109 174.144 -0.035 1
1 74 . 3 1 1 A 8 8 LEU N N 8 123.063 126.797 -3.734 1
1 75 . 3 1 1 A 8 8 LEU H H 8 8.485 8.942 -0.457 1
1 76 . 3 1 1 A 8 8 LEU CA C 8 53.331 53.574 -0.243 1
1 77 . 3 1 1 A 8 8 LEU HA H 8 5.381 5.186 0.195 1
1 78 . 3 1 1 A 8 8 LEU CB C 8 45.077 46.242 -1.165 1
1 91 . 3 1 1 A 8 8 LEU C C 8 177.344 175.600 1.744 1
1 92 . 3 1 1 A 9 9 VAL N N 9 111.683 116.997 -5.314 1
1 93 . 3 1 1 A 9 9 VAL H H 9 9.111 9.270 -0.159 1
1 94 . 3 1 1 A 9 9 VAL CA C 9 57.854 59.088 -1.234 1
1 95 . 3 1 1 A 9 9 VAL HA H 9 5.214 5.006 0.208 1
1 96 . 3 1 1 A 9 9 VAL CB C 9 35.864 35.495 0.369 1
1 106 . 3 1 1 A 9 9 VAL C C 9 172.404 173.793 -1.389 1
1 107 . 3 1 1 A 10 10 LEU N N 10 123.366 126.881 -3.515 1
1 108 . 3 1 1 A 10 10 LEU H H 10 8.971 9.210 -0.239 1
1 109 . 3 1 1 A 10 10 LEU CA C 10 52.445 53.353 -0.908 1
1 110 . 3 1 1 A 10 10 LEU HA H 10 5.100 5.256 -0.156 1
1 111 . 3 1 1 A 10 10 LEU CB C 10 46.711 44.828 1.883 1
1 124 . 3 1 1 A 10 10 LEU C C 10 176.568 175.475 1.093 1
1 125 . 3 1 1 A 11 11 ALA N N 11 127.241 128.875 -1.634 1
1 126 . 3 1 1 A 11 11 ALA H H 11 9.160 9.122 0.038 1
1 127 . 3 1 1 A 11 11 ALA CA C 11 52.416 51.324 1.092 1
1 128 . 3 1 1 A 11 11 ALA HA H 11 4.610 4.520 0.090 1
1 132 . 3 1 1 A 11 11 ALA CB C 11 19.051 18.951 0.100 1
1 133 . 3 1 1 A 11 11 ALA C C 11 178.252 177.818 0.434 1
1 134 . 3 1 1 A 12 12 LEU N N 12 127.842 126.550 1.292 1
1 135 . 3 1 1 A 12 12 LEU H H 12 9.257 8.702 0.555 1
1 136 . 3 1 1 A 12 12 LEU CA C 12 55.585 57.647 -2.062 1
1 137 . 3 1 1 A 12 12 LEU HA H 12 3.884 4.013 -0.129 1
1 138 . 3 1 1 A 12 12 LEU CB C 12 43.192 42.307 0.885 1
1 151 . 3 1 1 A 12 12 LEU C C 12 174.951 176.496 -1.545 1
1 152 . 3 1 1 A 13 13 TYR N N 13 111.673 115.333 -3.660 1
1 153 . 3 1 1 A 13 13 TYR H H 13 7.129 7.770 -0.641 1
1 154 . 3 1 1 A 13 13 TYR CA C 13 54.530 57.073 -2.543 1
1 155 . 3 1 1 A 13 13 TYR HA H 13 4.617 4.848 -0.231 1
1 156 . 3 1 1 A 13 13 TYR CB C 13 42.982 41.306 1.676 1
1 167 . 3 1 1 A 13 13 TYR C C 13 173.600 175.083 -1.483 1
1 168 . 3 1 1 A 14 14 ASP N N 14 117.888 119.403 -1.515 1
1 169 . 3 1 1 A 14 14 ASP H H 14 8.328 8.687 -0.359 1
1 170 . 3 1 1 A 14 14 ASP CA C 14 54.527 52.756 1.771 1
1 171 . 3 1 1 A 14 14 ASP HA H 14 4.615 5.800 -1.185 1
1 172 . 3 1 1 A 14 14 ASP CB C 14 41.351 43.237 -1.886 1
1 175 . 3 1 1 A 14 14 ASP C C 14 176.125 174.250 1.875 1
1 176 . 3 1 1 A 15 15 TYR N N 15 120.102 121.340 -1.238 1
1 177 . 3 1 1 A 15 15 TYR H H 15 8.733 8.974 -0.241 1
1 178 . 3 1 1 A 15 15 TYR CA C 15 59.669 57.385 2.284 1
1 179 . 3 1 1 A 15 15 TYR HA H 15 4.662 5.167 -0.505 1
1 180 . 3 1 1 A 15 15 TYR CB C 15 43.400 42.033 1.367 1
1 191 . 3 1 1 A 15 15 TYR C C 15 172.803 173.409 -0.606 1
1 192 . 3 1 1 A 16 16 GLN N N 16 126.945 123.153 3.792 1
1 193 . 3 1 1 A 16 16 GLN H H 16 7.546 8.034 -0.488 1
1 194 . 3 1 1 A 16 16 GLN CA C 16 53.820 55.264 -1.444 1
1 195 . 3 1 1 A 16 16 GLN HA H 16 4.500 4.677 -0.177 1
1 196 . 3 1 1 A 16 16 GLN CB C 16 29.378 30.118 -0.740 1
1 202 . 3 1 1 A 16 16 GLN C C 16 173.910 174.503 -0.593 1
1 203 . 3 1 1 A 17 17 GLU N N 17 123.035 124.344 -1.309 1
1 204 . 3 1 1 A 17 17 GLU H H 17 7.930 8.875 -0.945 1
1 205 . 3 1 1 A 17 17 GLU CA C 17 56.078 56.793 -0.715 1
1 206 . 3 1 1 A 17 17 GLU HA H 17 4.211 4.259 -0.048 1
1 207 . 3 1 1 A 17 17 GLU CB C 17 29.520 30.200 -0.680 1
1 213 . 3 1 1 A 17 17 GLU C C 17 175.926 177.074 -1.148 1
1 214 . 3 1 1 A 18 18 LYS N N 18 120.770 119.199 1.571 1
1 215 . 3 1 1 A 18 18 LYS H H 18 8.801 8.726 0.075 1
1 216 . 3 1 1 A 18 18 LYS CA C 18 55.164 55.790 -0.626 1
1 217 . 3 1 1 A 18 18 LYS HA H 18 4.424 4.665 -0.241 1
1 218 . 3 1 1 A 18 18 LYS CB C 18 33.328 33.814 -0.486 1
1 230 . 3 1 1 A 18 18 LYS C C 18 176.192 175.685 0.507 1
1 231 . 3 1 1 A 19 19 SER N N 19 114.841 111.073 3.768 1
1 232 . 3 1 1 A 19 19 SER H H 19 7.619 7.459 0.160 1
1 233 . 3 1 1 A 19 19 SER CA C 19 56.678 55.340 1.338 1
1 234 . 3 1 1 A 19 19 SER HA H 19 4.863 5.067 -0.204 1
1 235 . 3 1 1 A 19 19 SER CB C 19 64.060 65.605 -1.545 1
1 239 . 3 1 1 A 20 20 PRO CA C 20 64.803 64.583 0.220 1
1 240 . 3 1 1 A 20 20 PRO HA H 20 4.549 4.481 0.068 1
1 241 . 3 1 1 A 20 20 PRO CB C 20 31.894 32.054 -0.160 1
1 249 . 3 1 1 A 20 20 PRO C C 20 176.679 177.410 -0.731 1
1 250 . 3 1 1 A 21 21 ARG N N 21 113.864 115.800 -1.936 1
1 251 . 3 1 1 A 21 21 ARG H H 21 7.687 8.262 -0.575 1
1 252 . 3 1 1 A 21 21 ARG CA C 21 56.119 55.732 0.387 1
1 253 . 3 1 1 A 21 21 ARG HA H 21 4.598 4.430 0.168 1
1 254 . 3 1 1 A 21 21 ARG CB C 21 30.299 29.822 0.477 1
1 263 . 3 1 1 A 21 21 ARG C C 21 176.369 175.182 1.187 1
1 264 . 3 1 1 A 22 22 GLU N N 22 121.539 120.399 1.140 1
1 265 . 3 1 1 A 22 22 GLU H H 22 7.842 7.221 0.621 1
1 266 . 3 1 1 A 22 22 GLU CA C 22 54.951 55.136 -0.185 1
1 267 . 3 1 1 A 22 22 GLU HA H 22 5.484 5.117 0.367 1
1 268 . 3 1 1 A 22 22 GLU CB C 22 33.535 33.516 0.019 1
1 274 . 3 1 1 A 22 22 GLU C C 22 174.375 174.738 -0.363 1
1 275 . 3 1 1 A 23 23 VAL N N 23 111.923 118.622 -6.699 1
1 276 . 3 1 1 A 23 23 VAL H H 23 7.373 8.792 -1.419 1
1 277 . 3 1 1 A 23 23 VAL CA C 23 59.570 59.663 -0.093 1
1 278 . 3 1 1 A 23 23 VAL HA H 23 4.531 5.182 -0.651 1
1 279 . 3 1 1 A 23 23 VAL CB C 23 34.667 36.371 -1.704 1
1 289 . 3 1 1 A 23 23 VAL C C 23 172.625 173.710 -1.085 1
1 290 . 3 1 1 A 24 24 THR N N 24 117.656 115.574 2.082 1
1 291 . 3 1 1 A 24 24 THR H H 24 7.112 8.832 -1.720 1
1 292 . 3 1 1 A 24 24 THR CA C 24 61.994 60.462 1.532 1
1 293 . 3 1 1 A 24 24 THR HA H 24 5.119 5.200 -0.081 1
1 294 . 3 1 1 A 24 24 THR CB C 24 71.220 70.588 0.632 1
1 300 . 3 1 1 A 24 24 THR C C 24 174.309 172.378 1.931 1
1 301 . 3 1 1 A 25 25 MET N N 25 122.056 121.590 0.466 1
1 302 . 3 1 1 A 25 25 MET H H 25 9.515 8.905 0.610 1
1 303 . 3 1 1 A 25 25 MET CA C 25 54.247 54.033 0.214 1
1 304 . 3 1 1 A 25 25 MET HA H 25 4.935 5.087 -0.152 1
1 305 . 3 1 1 A 25 25 MET CB C 25 36.287 35.790 0.497 1
1 312 . 3 1 1 A 25 25 MET C C 25 173.777 174.054 -0.277 1
1 313 . 3 1 1 A 26 26 LYS N N 26 124.668 120.439 4.229 1
1 314 . 3 1 1 A 26 26 LYS H H 26 8.949 8.848 0.101 1
1 315 . 3 1 1 A 26 26 LYS CA C 26 53.476 54.293 -0.817 1
1 316 . 3 1 1 A 26 26 LYS HA H 26 4.896 5.036 -0.140 1
1 317 . 3 1 1 A 26 26 LYS CB C 26 34.097 36.267 -2.170 1
1 327 . 3 1 1 A 26 26 LYS C C 26 174.929 175.066 -0.137 1
1 328 . 3 1 1 A 27 27 LYS N N 27 122.567 123.564 -0.997 1
1 329 . 3 1 1 A 27 27 LYS H H 27 9.061 8.688 0.373 1
1 330 . 3 1 1 A 27 27 LYS CA C 27 58.539 58.630 -0.091 1
1 331 . 3 1 1 A 27 27 LYS HA H 27 4.656 4.034 0.622 1
1 332 . 3 1 1 A 27 27 LYS CB C 27 32.202 32.025 0.177 1
1 344 . 3 1 1 A 27 27 LYS C C 27 177.344 177.349 -0.005 1
1 345 . 3 1 1 A 28 28 GLY N N 28 115.884 112.669 3.215 1
1 346 . 3 1 1 A 28 28 GLY H H 28 8.900 9.342 -0.442 1
1 347 . 3 1 1 A 28 28 GLY CA C 28 44.779 45.077 -0.298 1
1 348 . 3 1 1 A 28 28 GLY HA2 H 28 3.523 3.943 -0.420 1
1 349 . 3 1 1 A 28 28 GLY HA3 H 28 4.469 3.944 0.525 1
1 350 . 3 1 1 A 28 28 GLY C C 28 174.021 174.132 -0.111 1
1 351 . 3 1 1 A 29 29 ASP N N 29 122.466 120.320 2.146 1
1 352 . 3 1 1 A 29 29 ASP H H 29 8.513 7.959 0.554 1
1 353 . 3 1 1 A 29 29 ASP CA C 29 55.711 53.749 1.962 1
1 354 . 3 1 1 A 29 29 ASP HA H 29 4.523 4.950 -0.427 1
1 355 . 3 1 1 A 29 29 ASP CB C 29 41.361 42.768 -1.407 1
1 358 . 3 1 1 A 29 29 ASP C C 29 174.331 174.755 -0.424 1
1 359 . 3 1 1 A 30 30 ILE N N 30 120.470 120.569 -0.099 1
1 360 . 3 1 1 A 30 30 ILE H H 30 8.204 8.544 -0.340 1
1 361 . 3 1 1 A 30 30 ILE CA C 30 60.164 60.410 -0.246 1
1 362 . 3 1 1 A 30 30 ILE HA H 30 5.025 5.360 -0.335 1
1 363 . 3 1 1 A 30 30 ILE CB C 30 38.257 41.608 -3.351 1
1 372 . 3 1 1 A 30 30 ILE C C 30 176.236 175.094 1.142 1
1 373 . 3 1 1 A 31 31 LEU N N 31 128.265 126.590 1.675 1
1 374 . 3 1 1 A 31 31 LEU H H 31 9.353 8.777 0.576 1
1 375 . 3 1 1 A 31 31 LEU CA C 31 53.601 53.663 -0.062 1
1 376 . 3 1 1 A 31 31 LEU HA H 31 4.998 5.045 -0.047 1
1 377 . 3 1 1 A 31 31 LEU CB C 31 43.893 45.587 -1.694 1
1 388 . 3 1 1 A 31 31 LEU C C 31 175.638 175.843 -0.205 1
1 389 . 3 1 1 A 32 32 THR N N 32 117.089 119.574 -2.485 1
1 390 . 3 1 1 A 32 32 THR H H 32 8.141 8.696 -0.555 1
1 391 . 3 1 1 A 32 32 THR CA C 32 63.263 63.188 0.075 1
1 392 . 3 1 1 A 32 32 THR HA H 32 4.619 4.561 0.058 1
1 393 . 3 1 1 A 32 32 THR CB C 32 69.867 69.085 0.782 1
1 399 . 3 1 1 A 32 32 THR C C 32 173.600 174.473 -0.873 1
1 400 . 3 1 1 A 33 33 LEU N N 33 129.212 128.765 0.447 1
1 401 . 3 1 1 A 33 33 LEU H H 33 9.070 8.480 0.590 1
1 402 . 3 1 1 A 33 33 LEU CA C 33 54.671 56.304 -1.633 1
1 403 . 3 1 1 A 33 33 LEU HA H 33 4.356 4.301 0.055 1
1 404 . 3 1 1 A 33 33 LEU CB C 33 42.968 42.337 0.631 1
1 417 . 3 1 1 A 33 33 LEU C C 33 174.553 176.124 -1.571 1
1 418 . 3 1 1 A 34 34 LEU N N 34 125.880 127.505 -1.625 1
1 419 . 3 1 1 A 34 34 LEU H H 34 9.051 9.426 -0.375 1
1 420 . 3 1 1 A 34 34 LEU CA C 34 54.811 55.965 -1.154 1
1 421 . 3 1 1 A 34 34 LEU HA H 34 4.532 4.366 0.166 1
1 422 . 3 1 1 A 34 34 LEU CB C 34 42.977 42.746 0.231 1
1 434 . 3 1 1 A 34 34 LEU C C 34 177.477 177.183 0.294 1
1 435 . 3 1 1 A 35 35 ASN N N 35 113.971 115.352 -1.381 1
1 436 . 3 1 1 A 35 35 ASN H H 35 7.600 7.787 -0.187 1
1 437 . 3 1 1 A 35 35 ASN CA C 35 54.543 52.573 1.970 1
1 438 . 3 1 1 A 35 35 ASN HA H 35 4.680 5.120 -0.440 1
1 439 . 3 1 1 A 35 35 ASN CB C 35 40.958 40.930 0.028 1
1 443 . 3 1 1 A 35 35 ASN C C 35 174.375 174.526 -0.151 1
1 444 . 3 1 1 A 36 36 SER N N 36 123.815 117.770 6.045 1
1 445 . 3 1 1 A 36 36 SER H H 36 9.194 8.370 0.824 1
1 446 . 3 1 1 A 36 36 SER CA C 36 56.692 56.683 0.009 1
1 447 . 3 1 1 A 36 36 SER HA H 36 3.921 4.745 -0.824 1
1 448 . 3 1 1 A 36 36 SER CB C 36 62.180 62.380 -0.200 1
1 451 . 3 1 1 A 36 36 SER C C 36 173.401 175.347 -1.946 1
1 452 . 3 1 1 A 37 37 THR N N 37 115.041 115.814 -0.773 1
1 453 . 3 1 1 A 37 37 THR H H 37 8.178 7.709 0.469 1
1 454 . 3 1 1 A 37 37 THR CA C 37 65.484 65.293 0.191 1
1 455 . 3 1 1 A 37 37 THR HA H 37 4.528 4.017 0.511 1
1 456 . 3 1 1 A 37 37 THR CB C 37 69.416 68.928 0.488 1
1 462 . 3 1 1 A 37 37 THR C C 37 175.261 175.188 0.073 1
1 463 . 3 1 1 A 38 38 ASN N N 38 122.494 119.219 3.275 1
1 464 . 3 1 1 A 38 38 ASN H H 38 8.674 7.959 0.715 1
1 465 . 3 1 1 A 38 38 ASN CA C 38 53.188 52.380 0.808 1
1 466 . 3 1 1 A 38 38 ASN HA H 38 4.863 4.915 -0.052 1
1 467 . 3 1 1 A 38 38 ASN CB C 38 40.525 40.727 -0.202 1
1 470 . 3 1 1 A 38 38 ASN C C 38 174.575 175.902 -1.327 1
1 471 . 3 1 1 A 39 39 LYS N N 39 120.915 121.392 -0.477 1
1 472 . 3 1 1 A 39 39 LYS H H 39 8.510 8.538 -0.028 1
1 473 . 3 1 1 A 39 39 LYS CA C 39 58.333 56.983 1.350 1
1 474 . 3 1 1 A 39 39 LYS HA H 39 4.247 4.990 -0.743 1
1 475 . 3 1 1 A 39 39 LYS CB C 39 32.520 34.544 -2.024 1
1 485 . 3 1 1 A 39 39 LYS C C 39 176.236 177.916 -1.680 1
1 486 . 3 1 1 A 40 40 ASP N N 40 114.628 118.129 -3.501 1
1 487 . 3 1 1 A 40 40 ASP H H 40 8.173 7.928 0.245 1
1 488 . 3 1 1 A 40 40 ASP CA C 40 55.380 55.968 -0.588 1
1 489 . 3 1 1 A 40 40 ASP HA H 40 4.544 4.258 0.286 1
1 490 . 3 1 1 A 40 40 ASP CB C 40 43.415 42.138 1.277 1
1 493 . 3 1 1 A 40 40 ASP C C 40 176.967 175.614 1.353 1
1 494 . 3 1 1 A 41 41 TRP N N 41 122.703 115.221 7.482 1
1 495 . 3 1 1 A 41 41 TRP H H 41 8.209 7.665 0.544 1
1 496 . 3 1 1 A 41 41 TRP CA C 41 56.184 56.097 0.087 1
1 497 . 3 1 1 A 41 41 TRP HA H 41 5.075 5.306 -0.231 1
1 498 . 3 1 1 A 41 41 TRP CB C 41 32.019 33.496 -1.477 1
1 513 . 3 1 1 A 41 41 TRP C C 41 174.176 175.315 -1.139 1
1 514 . 3 1 1 A 42 42 TRP N N 42 124.895 122.361 2.534 1
1 515 . 3 1 1 A 42 42 TRP H H 42 9.366 9.004 0.362 1
1 516 . 3 1 1 A 42 42 TRP CA C 42 54.076 55.791 -1.715 1
1 517 . 3 1 1 A 42 42 TRP HA H 42 5.523 5.354 0.169 1
1 518 . 3 1 1 A 42 42 TRP CB C 42 31.447 33.434 -1.987 1
1 533 . 3 1 1 A 42 42 TRP C C 42 174.109 175.014 -0.905 1
1 534 . 3 1 1 A 43 43 LYS N N 43 124.120 124.115 0.005 1
1 535 . 3 1 1 A 43 43 LYS H H 43 8.883 9.047 -0.164 1
1 536 . 3 1 1 A 43 43 LYS CA C 43 55.158 55.177 -0.019 1
1 537 . 3 1 1 A 43 43 LYS HA H 43 4.368 4.721 -0.353 1
1 538 . 3 1 1 A 43 43 LYS CB C 43 33.794 33.446 0.348 1
1 550 . 3 1 1 A 43 43 LYS C C 43 175.416 175.868 -0.452 1
1 551 . 3 1 1 A 44 44 VAL N N 44 122.055 120.938 1.117 1
1 552 . 3 1 1 A 44 44 VAL H H 44 9.427 9.140 0.287 1
1 553 . 3 1 1 A 44 44 VAL CA C 44 58.825 58.955 -0.130 1
1 554 . 3 1 1 A 44 44 VAL HA H 44 5.375 5.018 0.357 1
1 555 . 3 1 1 A 44 44 VAL CB C 44 36.593 35.048 1.545 1
1 565 . 3 1 1 A 44 44 VAL C C 44 173.223 173.630 -0.407 1
1 566 . 3 1 1 A 45 45 GLU N N 45 118.673 122.805 -4.132 1
1 567 . 3 1 1 A 45 45 GLU H H 45 8.733 8.896 -0.163 1
1 568 . 3 1 1 A 45 45 GLU CA C 45 54.249 54.862 -0.613 1
1 569 . 3 1 1 A 45 45 GLU HA H 45 5.432 5.206 0.226 1
1 570 . 3 1 1 A 45 45 GLU CB C 45 33.286 32.676 0.610 1
1 576 . 3 1 1 A 45 45 GLU C C 45 174.774 175.419 -0.645 1
1 577 . 3 1 1 A 46 46 VAL N N 46 123.551 127.189 -3.638 1
1 578 . 3 1 1 A 46 46 VAL H H 46 9.058 9.179 -0.121 1
1 579 . 3 1 1 A 46 46 VAL CA C 46 59.627 61.109 -1.482 1
1 580 . 3 1 1 A 46 46 VAL HA H 46 4.669 4.654 0.015 1
1 581 . 3 1 1 A 46 46 VAL CB C 46 35.290 33.224 2.066 1
1 590 . 3 1 1 A 46 46 VAL C C 46 173.534 175.023 -1.489 1
1 591 . 3 1 1 A 47 47 LYS N N 47 124.992 125.027 -0.035 1
1 592 . 3 1 1 A 47 47 LYS H H 47 8.446 8.308 0.138 1
1 593 . 3 1 1 A 47 47 LYS CA C 47 55.905 54.901 1.004 1
1 594 . 3 1 1 A 47 47 LYS HA H 47 4.763 4.919 -0.156 1
1 595 . 3 1 1 A 47 47 LYS CB C 47 33.450 35.247 -1.797 1
1 605 . 3 1 1 A 47 47 LYS C C 47 175.306 175.337 -0.031 1
1 606 . 3 1 1 A 48 48 ALA N N 48 128.781 124.259 4.522 1
1 607 . 3 1 1 A 48 48 ALA H H 48 8.757 8.584 0.173 1
1 608 . 3 1 1 A 48 48 ALA CA C 48 50.828 50.371 0.457 1
1 609 . 3 1 1 A 48 48 ALA HA H 48 4.616 4.919 -0.303 1
1 613 . 3 1 1 A 48 48 ALA CB C 48 21.741 23.591 -1.850 1
1 614 . 3 1 1 A 48 48 ALA C C 48 175.173 174.980 0.193 1
1 615 . 3 1 1 A 49 49 THR N N 49 113.585 114.426 -0.841 1
1 616 . 3 1 1 A 49 49 THR H H 49 8.333 8.454 -0.121 1
1 617 . 3 1 1 A 49 49 THR CA C 49 60.826 60.665 0.161 1
1 618 . 3 1 1 A 49 49 THR HA H 49 5.257 5.475 -0.218 1
1 619 . 3 1 1 A 49 49 THR CB C 49 71.045 71.544 -0.499 1
1 624 . 3 1 1 A 49 49 THR C C 49 174.176 173.266 0.910 1
1 625 . 3 1 1 A 50 50 ALA N N 50 127.142 125.739 1.403 1
1 626 . 3 1 1 A 50 50 ALA H H 50 8.914 9.089 -0.175 1
1 627 . 3 1 1 A 50 50 ALA CA C 50 52.345 51.833 0.512 1
1 628 . 3 1 1 A 50 50 ALA HA H 50 4.603 4.586 0.017 1
1 632 . 3 1 1 A 50 50 ALA CB C 50 20.935 22.315 -1.380 1
1 633 . 3 1 1 A 50 50 ALA C C 50 177.299 176.097 1.202 1
1 634 . 3 1 1 A 51 51 ASN N N 51 121.555 122.719 -1.164 1
1 635 . 3 1 1 A 51 51 ASN H H 51 9.491 9.325 0.166 1
1 636 . 3 1 1 A 51 51 ASN CA C 51 54.177 54.489 -0.312 1
1 637 . 3 1 1 A 51 51 ASN HA H 51 4.389 4.450 -0.061 1
1 638 . 3 1 1 A 51 51 ASN CB C 51 37.413 37.326 0.087 1
1 641 . 3 1 1 A 51 51 ASN C C 51 175.106 175.622 -0.516 1
1 642 . 3 1 1 A 52 52 GLY N N 52 103.942 103.681 0.261 1
1 643 . 3 1 1 A 52 52 GLY H H 52 8.681 8.666 0.015 1
1 644 . 3 1 1 A 52 52 GLY CA C 52 45.443 45.966 -0.523 1
1 645 . 3 1 1 A 52 52 GLY HA2 H 52 3.624 3.882 -0.258 1
1 646 . 3 1 1 A 52 52 GLY HA3 H 52 4.143 3.884 0.259 1
1 647 . 3 1 1 A 52 52 GLY C C 52 173.666 173.714 -0.048 1
1 648 . 3 1 1 A 53 53 LYS N N 53 121.213 120.406 0.807 1
1 649 . 3 1 1 A 53 53 LYS H H 53 7.893 7.800 0.093 1
1 650 . 3 1 1 A 53 53 LYS CA C 53 54.807 54.923 -0.116 1
1 651 . 3 1 1 A 53 53 LYS HA H 53 4.727 4.858 -0.131 1
1 652 . 3 1 1 A 53 53 LYS CB C 53 34.737 35.533 -0.796 1
1 664 . 3 1 1 A 53 53 LYS C C 53 175.239 174.949 0.290 1
1 665 . 3 1 1 A 54 54 THR N N 54 118.501 116.339 2.162 1
1 666 . 3 1 1 A 54 54 THR H H 54 8.498 8.919 -0.421 1
1 667 . 3 1 1 A 54 54 THR CA C 54 61.925 60.937 0.988 1
1 668 . 3 1 1 A 54 54 THR HA H 54 5.117 5.548 -0.431 1
1 669 . 3 1 1 A 54 54 THR CB C 54 70.294 70.344 -0.050 1
1 675 . 3 1 1 A 54 54 THR C C 54 173.733 173.788 -0.055 1
1 676 . 3 1 1 A 55 55 TYR N N 55 125.105 119.393 5.712 1
1 677 . 3 1 1 A 55 55 TYR H H 55 9.122 9.037 0.085 1
1 678 . 3 1 1 A 55 55 TYR CA C 55 56.149 55.138 1.011 1
1 679 . 3 1 1 A 55 55 TYR HA H 55 4.857 5.678 -0.821 1
1 680 . 3 1 1 A 55 55 TYR CB C 55 40.090 42.186 -2.096 1
1 691 . 3 1 1 A 55 55 TYR C C 55 172.847 173.463 -0.616 1
1 692 . 3 1 1 A 56 56 GLU N N 56 119.744 120.190 -0.446 1
1 693 . 3 1 1 A 56 56 GLU H H 56 8.503 8.910 -0.407 1
1 694 . 3 1 1 A 56 56 GLU CA C 56 54.739 55.054 -0.315 1
1 695 . 3 1 1 A 56 56 GLU HA H 56 5.030 5.374 -0.344 1
1 696 . 3 1 1 A 56 56 GLU CB C 56 30.297 33.219 -2.922 1
1 701 . 3 1 1 A 56 56 GLU C C 56 175.394 175.733 -0.339 1
1 702 . 3 1 1 A 57 57 ARG N N 57 123.665 121.417 2.248 1
1 703 . 3 1 1 A 57 57 ARG H H 57 8.897 9.146 -0.249 1
1 704 . 3 1 1 A 57 57 ARG CA C 57 54.944 54.545 0.399 1
1 705 . 3 1 1 A 57 57 ARG HA H 57 4.663 5.129 -0.466 1
1 706 . 3 1 1 A 57 57 ARG CB C 57 33.471 33.550 -0.079 1
1 713 . 3 1 1 A 57 57 ARG C C 57 174.198 174.593 -0.395 1
1 714 . 3 1 1 A 58 58 GLN N N 58 119.967 122.884 -2.917 1
1 715 . 3 1 1 A 58 58 GLN H H 58 8.604 8.631 -0.027 1
1 716 . 3 1 1 A 58 58 GLN CA C 58 53.394 55.082 -1.688 1
1 717 . 3 1 1 A 58 58 GLN HA H 58 5.602 4.918 0.684 1
1 718 . 3 1 1 A 58 58 GLN CB C 58 31.229 29.857 1.372 1
1 724 . 3 1 1 A 58 58 GLN C C 58 175.771 175.756 0.015 1
1 725 . 3 1 1 A 59 59 GLY N N 59 107.507 109.732 -2.225 1
1 726 . 3 1 1 A 59 59 GLY H H 59 8.652 8.865 -0.213 1
1 727 . 3 1 1 A 59 59 GLY CA C 59 45.583 45.324 0.259 1
1 728 . 3 1 1 A 59 59 GLY HA2 H 59 3.947 4.412 -0.465 1
1 729 . 3 1 1 A 59 59 GLY HA3 H 59 3.947 4.427 -0.480 1
1 730 . 3 1 1 A 59 59 GLY C C 59 170.255 171.730 -1.475 1
1 731 . 3 1 1 A 60 60 PHE N N 60 119.079 119.204 -0.125 1
1 732 . 3 1 1 A 60 60 PHE H H 60 9.153 8.828 0.325 1
1 733 . 3 1 1 A 60 60 PHE CA C 60 58.544 56.488 2.056 1
1 734 . 3 1 1 A 60 60 PHE HA H 60 5.666 5.776 -0.110 1
1 735 . 3 1 1 A 60 60 PHE CB C 60 42.484 42.127 0.357 1
1 748 . 3 1 1 A 60 60 PHE C C 60 175.461 175.512 -0.051 1
1 749 . 3 1 1 A 61 61 VAL N N 61 110.995 116.916 -5.921 1
1 750 . 3 1 1 A 61 61 VAL H H 61 9.065 9.178 -0.113 1
1 751 . 3 1 1 A 61 61 VAL CA C 61 58.189 58.197 -0.008 1
1 752 . 3 1 1 A 61 61 VAL HA H 61 4.823 5.043 -0.220 1
1 753 . 3 1 1 A 61 61 VAL CB C 61 33.521 34.337 -0.816 1
1 764 . 3 1 1 A 62 62 PRO CA C 62 61.852 61.856 -0.004 1
1 765 . 3 1 1 A 62 62 PRO HA H 62 3.556 3.654 -0.098 1
1 766 . 3 1 1 A 62 62 PRO CB C 62 29.777 30.707 -0.930 1
1 774 . 3 1 1 A 62 62 PRO C C 62 177.787 177.287 0.500 1
1 775 . 3 1 1 A 63 63 ALA N N 63 129.142 127.692 1.450 1
1 776 . 3 1 1 A 63 63 ALA H H 63 7.477 8.065 -0.588 1
1 777 . 3 1 1 A 63 63 ALA CA C 63 54.472 53.479 0.993 1
1 778 . 3 1 1 A 63 63 ALA HA H 63 2.652 2.984 -0.332 1
1 782 . 3 1 1 A 63 63 ALA CB C 63 15.666 17.081 -1.415 1
1 783 . 3 1 1 A 63 63 ALA C C 63 178.429 178.330 0.099 1
1 784 . 3 1 1 A 64 64 ALA N N 64 113.522 119.065 -5.543 1
1 785 . 3 1 1 A 64 64 ALA H H 64 7.867 7.048 0.819 1
1 786 . 3 1 1 A 64 64 ALA CA C 64 52.768 53.997 -1.229 1
1 787 . 3 1 1 A 64 64 ALA HA H 64 4.006 3.877 0.129 1
1 791 . 3 1 1 A 64 64 ALA CB C 64 17.629 17.766 -0.137 1
1 792 . 3 1 1 A 64 64 ALA C C 64 178.097 178.237 -0.140 1
1 793 . 3 1 1 A 65 65 TYR N N 65 116.109 116.244 -0.135 1
1 794 . 3 1 1 A 65 65 TYR H H 65 7.698 7.578 0.120 1
1 795 . 3 1 1 A 65 65 TYR CA C 65 56.328 58.805 -2.477 1
1 796 . 3 1 1 A 65 65 TYR HA H 65 4.758 4.842 -0.084 1
1 797 . 3 1 1 A 65 65 TYR CB C 65 37.765 40.336 -2.571 1
1 808 . 3 1 1 A 65 65 TYR C C 65 174.375 175.723 -1.348 1
1 809 . 3 1 1 A 66 66 VAL N N 66 111.053 114.783 -3.730 1
1 810 . 3 1 1 A 66 66 VAL H H 66 7.415 7.203 0.212 1
1 811 . 3 1 1 A 66 66 VAL CA C 66 58.119 59.376 -1.257 1
1 812 . 3 1 1 A 66 66 VAL HA H 66 5.538 5.172 0.366 1
1 813 . 3 1 1 A 66 66 VAL CB C 66 35.809 34.608 1.201 1
1 823 . 3 1 1 A 66 66 VAL C C 66 173.511 174.066 -0.555 1
1 824 . 3 1 1 A 67 67 LYS N N 67 118.588 123.560 -4.972 1
1 825 . 3 1 1 A 67 67 LYS H H 67 8.631 9.014 -0.383 1
1 826 . 3 1 1 A 67 67 LYS CA C 67 54.035 54.353 -0.318 1
1 827 . 3 1 1 A 67 67 LYS HA H 67 4.830 5.558 -0.728 1
1 828 . 3 1 1 A 67 67 LYS CB C 67 36.779 36.236 0.543 1
1 838 . 3 1 1 A 67 67 LYS C C 67 175.992 175.713 0.279 1
1 839 . 3 1 1 A 68 68 LYS N N 68 125.838 120.548 5.290 1
1 840 . 3 1 1 A 68 68 LYS H H 68 9.227 8.389 0.838 1
1 841 . 3 1 1 A 68 68 LYS CA C 68 58.335 56.332 2.003 1
1 842 . 3 1 1 A 68 68 LYS HA H 68 4.494 4.221 0.273 1
1 843 . 3 1 1 A 68 68 LYS CB C 68 32.893 32.817 0.076 1
1 853 . 3 1 1 A 68 68 LYS C C 68 176.657 176.405 0.252 1
1 854 . 3 1 1 A 69 69 LEU N N 69 125.443 122.426 3.017 1
1 855 . 3 1 1 A 69 69 LEU H H 69 8.449 8.702 -0.253 1
1 856 . 3 1 1 A 69 69 LEU CA C 69 54.873 53.458 1.415 1
1 857 . 3 1 1 A 69 69 LEU HA H 69 4.437 4.771 -0.334 1
1 858 . 3 1 1 A 69 69 LEU CB C 69 42.345 42.623 -0.278 1
1 871 . 3 1 1 A 69 69 LEU C C 69 176.147 175.621 0.526 1
1 10 . 4 1 1 A 2 2 ASP N N 2 123.485 118.068 5.417 1
1 11 . 4 1 1 A 2 2 ASP H H 2 8.809 8.139 0.670 1
1 12 . 4 1 1 A 2 2 ASP CA C 2 54.244 55.001 -0.757 1
1 13 . 4 1 1 A 2 2 ASP HA H 2 4.673 4.315 0.358 1
1 14 . 4 1 1 A 2 2 ASP CB C 2 40.452 39.479 0.973 1
1 17 . 4 1 1 A 2 2 ASP C C 2 175.771 176.123 -0.352 1
1 18 . 4 1 1 A 3 3 GLU N N 3 121.725 117.818 3.907 1
1 19 . 4 1 1 A 3 3 GLU H H 3 8.684 8.328 0.356 1
1 20 . 4 1 1 A 3 3 GLU CA C 3 56.162 56.195 -0.033 1
1 21 . 4 1 1 A 3 3 GLU HA H 3 4.392 4.433 -0.041 1
1 22 . 4 1 1 A 3 3 GLU CB C 3 29.170 30.044 -0.874 1
1 28 . 4 1 1 A 3 3 GLU C C 3 176.546 175.221 1.325 1
1 29 . 4 1 1 A 4 4 THR N N 4 114.384 109.830 4.554 1
1 30 . 4 1 1 A 4 4 THR H H 4 8.303 7.630 0.673 1
1 31 . 4 1 1 A 4 4 THR CA C 4 62.347 60.720 1.627 1
1 32 . 4 1 1 A 4 4 THR HA H 4 4.278 4.718 -0.440 1
1 33 . 4 1 1 A 4 4 THR CB C 4 69.672 70.934 -1.262 1
1 39 . 4 1 1 A 4 4 THR C C 4 175.306 173.563 1.743 1
1 40 . 4 1 1 A 5 5 GLY N N 5 111.296 111.933 -0.637 1
1 41 . 4 1 1 A 5 5 GLY H H 5 8.422 8.586 -0.164 1
1 42 . 4 1 1 A 5 5 GLY CA C 5 45.302 45.361 -0.059 1
1 43 . 4 1 1 A 5 5 GLY HA2 H 5 3.928 3.956 -0.028 1
1 44 . 4 1 1 A 5 5 GLY HA3 H 5 3.928 3.956 -0.028 1
1 45 . 4 1 1 A 5 5 GLY C C 5 173.689 174.711 -1.022 1
1 46 . 4 1 1 A 6 6 LYS N N 6 119.850 118.470 1.380 1
1 47 . 4 1 1 A 6 6 LYS H H 6 8.008 7.995 0.013 1
1 48 . 4 1 1 A 6 6 LYS CA C 6 55.401 57.082 -1.681 1
1 49 . 4 1 1 A 6 6 LYS HA H 6 4.381 4.398 -0.017 1
1 50 . 4 1 1 A 6 6 LYS CB C 6 33.225 33.761 -0.536 1
1 62 . 4 1 1 A 6 6 LYS C C 6 175.948 176.399 -0.451 1
1 63 . 4 1 1 A 7 7 GLU N N 7 122.488 118.894 3.594 1
1 64 . 4 1 1 A 7 7 GLU H H 7 8.577 7.617 0.960 1
1 65 . 4 1 1 A 7 7 GLU CA C 7 55.690 56.159 -0.469 1
1 66 . 4 1 1 A 7 7 GLU HA H 7 4.495 4.602 -0.107 1
1 67 . 4 1 1 A 7 7 GLU CB C 7 30.382 33.370 -2.988 1
1 73 . 4 1 1 A 7 7 GLU C C 7 174.109 174.176 -0.067 1
1 74 . 4 1 1 A 8 8 LEU N N 8 123.063 126.340 -3.277 1
1 75 . 4 1 1 A 8 8 LEU H H 8 8.485 8.726 -0.241 1
1 76 . 4 1 1 A 8 8 LEU CA C 8 53.331 53.458 -0.127 1
1 77 . 4 1 1 A 8 8 LEU HA H 8 5.381 5.069 0.312 1
1 78 . 4 1 1 A 8 8 LEU CB C 8 45.077 46.270 -1.193 1
1 91 . 4 1 1 A 8 8 LEU C C 8 177.344 175.531 1.813 1
1 92 . 4 1 1 A 9 9 VAL N N 9 111.683 117.257 -5.574 1
1 93 . 4 1 1 A 9 9 VAL H H 9 9.111 9.123 -0.012 1
1 94 . 4 1 1 A 9 9 VAL CA C 9 57.854 59.201 -1.347 1
1 95 . 4 1 1 A 9 9 VAL HA H 9 5.214 4.855 0.359 1
1 96 . 4 1 1 A 9 9 VAL CB C 9 35.864 35.481 0.383 1
1 106 . 4 1 1 A 9 9 VAL C C 9 172.404 174.235 -1.831 1
1 107 . 4 1 1 A 10 10 LEU N N 10 123.366 127.153 -3.787 1
1 108 . 4 1 1 A 10 10 LEU H H 10 8.971 9.154 -0.183 1
1 109 . 4 1 1 A 10 10 LEU CA C 10 52.445 53.723 -1.278 1
1 110 . 4 1 1 A 10 10 LEU HA H 10 5.100 5.155 -0.055 1
1 111 . 4 1 1 A 10 10 LEU CB C 10 46.711 44.437 2.274 1
1 124 . 4 1 1 A 10 10 LEU C C 10 176.568 175.505 1.063 1
1 125 . 4 1 1 A 11 11 ALA N N 11 127.241 129.024 -1.783 1
1 126 . 4 1 1 A 11 11 ALA H H 11 9.160 9.125 0.035 1
1 127 . 4 1 1 A 11 11 ALA CA C 11 52.416 51.395 1.021 1
1 128 . 4 1 1 A 11 11 ALA HA H 11 4.610 4.403 0.207 1
1 132 . 4 1 1 A 11 11 ALA CB C 11 19.051 18.302 0.749 1
1 133 . 4 1 1 A 11 11 ALA C C 11 178.252 177.891 0.361 1
1 134 . 4 1 1 A 12 12 LEU N N 12 127.842 126.607 1.235 1
1 135 . 4 1 1 A 12 12 LEU H H 12 9.257 8.684 0.573 1
1 136 . 4 1 1 A 12 12 LEU CA C 12 55.585 57.393 -1.808 1
1 137 . 4 1 1 A 12 12 LEU HA H 12 3.884 3.980 -0.096 1
1 138 . 4 1 1 A 12 12 LEU CB C 12 43.192 41.900 1.292 1
1 151 . 4 1 1 A 12 12 LEU C C 12 174.951 176.744 -1.793 1
1 152 . 4 1 1 A 13 13 TYR N N 13 111.673 115.416 -3.743 1
1 153 . 4 1 1 A 13 13 TYR H H 13 7.129 7.507 -0.378 1
1 154 . 4 1 1 A 13 13 TYR CA C 13 54.530 56.142 -1.612 1
1 155 . 4 1 1 A 13 13 TYR HA H 13 4.617 5.118 -0.501 1
1 156 . 4 1 1 A 13 13 TYR CB C 13 42.982 41.340 1.642 1
1 167 . 4 1 1 A 13 13 TYR C C 13 173.600 175.690 -2.090 1
1 168 . 4 1 1 A 14 14 ASP N N 14 117.888 123.346 -5.458 1
1 169 . 4 1 1 A 14 14 ASP H H 14 8.328 8.655 -0.327 1
1 170 . 4 1 1 A 14 14 ASP CA C 14 54.527 54.575 -0.048 1
1 171 . 4 1 1 A 14 14 ASP HA H 14 4.615 4.605 0.010 1
1 172 . 4 1 1 A 14 14 ASP CB C 14 41.351 41.338 0.013 1
1 175 . 4 1 1 A 14 14 ASP C C 14 176.125 175.359 0.766 1
1 176 . 4 1 1 A 15 15 TYR N N 15 120.102 122.330 -2.228 1
1 177 . 4 1 1 A 15 15 TYR H H 15 8.733 8.859 -0.126 1
1 178 . 4 1 1 A 15 15 TYR CA C 15 59.669 57.167 2.502 1
1 179 . 4 1 1 A 15 15 TYR HA H 15 4.662 5.223 -0.561 1
1 180 . 4 1 1 A 15 15 TYR CB C 15 43.400 42.205 1.195 1
1 191 . 4 1 1 A 15 15 TYR C C 15 172.803 173.603 -0.800 1
1 192 . 4 1 1 A 16 16 GLN N N 16 126.945 122.943 4.002 1
1 193 . 4 1 1 A 16 16 GLN H H 16 7.546 7.992 -0.446 1
1 194 . 4 1 1 A 16 16 GLN CA C 16 53.820 54.721 -0.901 1
1 195 . 4 1 1 A 16 16 GLN HA H 16 4.500 4.852 -0.352 1
1 196 . 4 1 1 A 16 16 GLN CB C 16 29.378 29.691 -0.313 1
1 202 . 4 1 1 A 16 16 GLN C C 16 173.910 174.637 -0.727 1
1 203 . 4 1 1 A 17 17 GLU N N 17 123.035 125.162 -2.127 1
1 204 . 4 1 1 A 17 17 GLU H H 17 7.930 8.851 -0.921 1
1 205 . 4 1 1 A 17 17 GLU CA C 17 56.078 56.813 -0.735 1
1 206 . 4 1 1 A 17 17 GLU HA H 17 4.211 4.239 -0.028 1
1 207 . 4 1 1 A 17 17 GLU CB C 17 29.520 30.350 -0.830 1
1 213 . 4 1 1 A 17 17 GLU C C 17 175.926 176.055 -0.129 1
1 214 . 4 1 1 A 18 18 LYS N N 18 120.770 121.675 -0.905 1
1 215 . 4 1 1 A 18 18 LYS H H 18 8.801 8.998 -0.197 1
1 216 . 4 1 1 A 18 18 LYS CA C 18 55.164 56.285 -1.121 1
1 217 . 4 1 1 A 18 18 LYS HA H 18 4.424 4.581 -0.157 1
1 218 . 4 1 1 A 18 18 LYS CB C 18 33.328 34.718 -1.390 1
1 230 . 4 1 1 A 18 18 LYS C C 18 176.192 176.375 -0.183 1
1 231 . 4 1 1 A 19 19 SER N N 19 114.841 115.387 -0.546 1
1 232 . 4 1 1 A 19 19 SER H H 19 7.619 7.909 -0.290 1
1 233 . 4 1 1 A 19 19 SER CA C 19 56.678 55.631 1.047 1
1 234 . 4 1 1 A 19 19 SER HA H 19 4.863 4.959 -0.096 1
1 235 . 4 1 1 A 19 19 SER CB C 19 64.060 65.043 -0.983 1
1 239 . 4 1 1 A 20 20 PRO CA C 20 64.803 64.720 0.083 1
1 240 . 4 1 1 A 20 20 PRO HA H 20 4.549 4.454 0.095 1
1 241 . 4 1 1 A 20 20 PRO CB C 20 31.894 32.140 -0.246 1
1 249 . 4 1 1 A 20 20 PRO C C 20 176.679 178.513 -1.834 1
1 250 . 4 1 1 A 21 21 ARG N N 21 113.864 116.660 -2.796 1
1 251 . 4 1 1 A 21 21 ARG H H 21 7.687 8.669 -0.982 1
1 252 . 4 1 1 A 21 21 ARG CA C 21 56.119 58.666 -2.547 1
1 253 . 4 1 1 A 21 21 ARG HA H 21 4.598 4.185 0.413 1
1 254 . 4 1 1 A 21 21 ARG CB C 21 30.299 29.588 0.711 1
1 263 . 4 1 1 A 21 21 ARG C C 21 176.369 176.457 -0.088 1
1 264 . 4 1 1 A 22 22 GLU N N 22 121.539 121.035 0.504 1
1 265 . 4 1 1 A 22 22 GLU H H 22 7.842 7.681 0.161 1
1 266 . 4 1 1 A 22 22 GLU CA C 22 54.951 55.506 -0.555 1
1 267 . 4 1 1 A 22 22 GLU HA H 22 5.484 4.637 0.847 1
1 268 . 4 1 1 A 22 22 GLU CB C 22 33.535 31.598 1.937 1
1 274 . 4 1 1 A 22 22 GLU C C 22 174.375 175.742 -1.367 1
1 275 . 4 1 1 A 23 23 VAL N N 23 111.923 117.970 -6.047 1
1 276 . 4 1 1 A 23 23 VAL H H 23 7.373 8.847 -1.474 1
1 277 . 4 1 1 A 23 23 VAL CA C 23 59.570 59.275 0.295 1
1 278 . 4 1 1 A 23 23 VAL HA H 23 4.531 4.988 -0.457 1
1 279 . 4 1 1 A 23 23 VAL CB C 23 34.667 36.349 -1.682 1
1 289 . 4 1 1 A 23 23 VAL C C 23 172.625 173.870 -1.245 1
1 290 . 4 1 1 A 24 24 THR N N 24 117.656 116.477 1.179 1
1 291 . 4 1 1 A 24 24 THR H H 24 7.112 8.930 -1.818 1
1 292 . 4 1 1 A 24 24 THR CA C 24 61.994 59.953 2.041 1
1 293 . 4 1 1 A 24 24 THR HA H 24 5.119 5.421 -0.302 1
1 294 . 4 1 1 A 24 24 THR CB C 24 71.220 72.558 -1.338 1
1 300 . 4 1 1 A 24 24 THR C C 24 174.309 172.029 2.280 1
1 301 . 4 1 1 A 25 25 MET N N 25 122.056 124.222 -2.166 1
1 302 . 4 1 1 A 25 25 MET H H 25 9.515 9.006 0.509 1
1 303 . 4 1 1 A 25 25 MET CA C 25 54.247 54.395 -0.148 1
1 304 . 4 1 1 A 25 25 MET HA H 25 4.935 5.219 -0.284 1
1 305 . 4 1 1 A 25 25 MET CB C 25 36.287 37.533 -1.246 1
1 312 . 4 1 1 A 25 25 MET C C 25 173.777 174.861 -1.084 1
1 313 . 4 1 1 A 26 26 LYS N N 26 124.668 118.984 5.684 1
1 314 . 4 1 1 A 26 26 LYS H H 26 8.949 8.743 0.206 1
1 315 . 4 1 1 A 26 26 LYS CA C 26 53.476 54.307 -0.831 1
1 316 . 4 1 1 A 26 26 LYS HA H 26 4.896 4.923 -0.027 1
1 317 . 4 1 1 A 26 26 LYS CB C 26 34.097 35.386 -1.289 1
1 327 . 4 1 1 A 26 26 LYS C C 26 174.929 176.276 -1.347 1
1 328 . 4 1 1 A 27 27 LYS N N 27 122.567 121.927 0.640 1
1 329 . 4 1 1 A 27 27 LYS H H 27 9.061 8.429 0.632 1
1 330 . 4 1 1 A 27 27 LYS CA C 27 58.539 57.059 1.480 1
1 331 . 4 1 1 A 27 27 LYS HA H 27 4.656 4.071 0.585 1
1 332 . 4 1 1 A 27 27 LYS CB C 27 32.202 31.979 0.223 1
1 344 . 4 1 1 A 27 27 LYS C C 27 177.344 176.931 0.413 1
1 345 . 4 1 1 A 28 28 GLY N N 28 115.884 112.865 3.019 1
1 346 . 4 1 1 A 28 28 GLY H H 28 8.900 9.340 -0.440 1
1 347 . 4 1 1 A 28 28 GLY CA C 28 44.779 45.510 -0.731 1
1 348 . 4 1 1 A 28 28 GLY HA2 H 28 3.523 3.899 -0.376 1
1 349 . 4 1 1 A 28 28 GLY HA3 H 28 4.469 3.906 0.563 1
1 350 . 4 1 1 A 28 28 GLY C C 28 174.021 174.183 -0.162 1
1 351 . 4 1 1 A 29 29 ASP N N 29 122.466 120.389 2.077 1
1 352 . 4 1 1 A 29 29 ASP H H 29 8.513 8.003 0.510 1
1 353 . 4 1 1 A 29 29 ASP CA C 29 55.711 54.039 1.672 1
1 354 . 4 1 1 A 29 29 ASP HA H 29 4.523 4.946 -0.423 1
1 355 . 4 1 1 A 29 29 ASP CB C 29 41.361 42.861 -1.500 1
1 358 . 4 1 1 A 29 29 ASP C C 29 174.331 174.657 -0.326 1
1 359 . 4 1 1 A 30 30 ILE N N 30 120.470 119.495 0.975 1
1 360 . 4 1 1 A 30 30 ILE H H 30 8.204 8.491 -0.287 1
1 361 . 4 1 1 A 30 30 ILE CA C 30 60.164 60.699 -0.535 1
1 362 . 4 1 1 A 30 30 ILE HA H 30 5.025 5.130 -0.105 1
1 363 . 4 1 1 A 30 30 ILE CB C 30 38.257 40.879 -2.622 1
1 372 . 4 1 1 A 30 30 ILE C C 30 176.236 174.272 1.964 1
1 373 . 4 1 1 A 31 31 LEU N N 31 128.265 128.213 0.052 1
1 374 . 4 1 1 A 31 31 LEU H H 31 9.353 9.186 0.167 1
1 375 . 4 1 1 A 31 31 LEU CA C 31 53.601 53.378 0.223 1
1 376 . 4 1 1 A 31 31 LEU HA H 31 4.998 5.139 -0.141 1
1 377 . 4 1 1 A 31 31 LEU CB C 31 43.893 44.967 -1.074 1
1 388 . 4 1 1 A 31 31 LEU C C 31 175.638 176.096 -0.458 1
1 389 . 4 1 1 A 32 32 THR N N 32 117.089 118.065 -0.976 1
1 390 . 4 1 1 A 32 32 THR H H 32 8.141 8.720 -0.579 1
1 391 . 4 1 1 A 32 32 THR CA C 32 63.263 62.722 0.541 1
1 392 . 4 1 1 A 32 32 THR HA H 32 4.619 4.499 0.120 1
1 393 . 4 1 1 A 32 32 THR CB C 32 69.867 69.385 0.482 1
1 399 . 4 1 1 A 32 32 THR C C 32 173.600 174.099 -0.499 1
1 400 . 4 1 1 A 33 33 LEU N N 33 129.212 128.083 1.129 1
1 401 . 4 1 1 A 33 33 LEU H H 33 9.070 8.991 0.079 1
1 402 . 4 1 1 A 33 33 LEU CA C 33 54.671 54.771 -0.100 1
1 403 . 4 1 1 A 33 33 LEU HA H 33 4.356 4.589 -0.233 1
1 404 . 4 1 1 A 33 33 LEU CB C 33 42.968 43.508 -0.540 1
1 417 . 4 1 1 A 33 33 LEU C C 33 174.553 175.875 -1.322 1
1 418 . 4 1 1 A 34 34 LEU N N 34 125.880 127.264 -1.384 1
1 419 . 4 1 1 A 34 34 LEU H H 34 9.051 9.262 -0.211 1
1 420 . 4 1 1 A 34 34 LEU CA C 34 54.811 55.763 -0.952 1
1 421 . 4 1 1 A 34 34 LEU HA H 34 4.532 4.523 0.009 1
1 422 . 4 1 1 A 34 34 LEU CB C 34 42.977 43.444 -0.467 1
1 434 . 4 1 1 A 34 34 LEU C C 34 177.477 176.948 0.529 1
1 435 . 4 1 1 A 35 35 ASN N N 35 113.971 116.558 -2.587 1
1 436 . 4 1 1 A 35 35 ASN H H 35 7.600 7.922 -0.322 1
1 437 . 4 1 1 A 35 35 ASN CA C 35 54.543 53.035 1.508 1
1 438 . 4 1 1 A 35 35 ASN HA H 35 4.680 5.174 -0.494 1
1 439 . 4 1 1 A 35 35 ASN CB C 35 40.958 41.125 -0.167 1
1 443 . 4 1 1 A 35 35 ASN C C 35 174.375 174.237 0.138 1
1 444 . 4 1 1 A 36 36 SER N N 36 123.815 118.337 5.478 1
1 445 . 4 1 1 A 36 36 SER H H 36 9.194 8.451 0.743 1
1 446 . 4 1 1 A 36 36 SER CA C 36 56.692 56.764 -0.072 1
1 447 . 4 1 1 A 36 36 SER HA H 36 3.921 4.894 -0.973 1
1 448 . 4 1 1 A 36 36 SER CB C 36 62.180 62.546 -0.366 1
1 451 . 4 1 1 A 36 36 SER C C 36 173.401 175.383 -1.982 1
1 452 . 4 1 1 A 37 37 THR N N 37 115.041 115.906 -0.865 1
1 453 . 4 1 1 A 37 37 THR H H 37 8.178 7.759 0.419 1
1 454 . 4 1 1 A 37 37 THR CA C 37 65.484 64.511 0.973 1
1 455 . 4 1 1 A 37 37 THR HA H 37 4.528 4.178 0.350 1
1 456 . 4 1 1 A 37 37 THR CB C 37 69.416 69.139 0.277 1
1 462 . 4 1 1 A 37 37 THR C C 37 175.261 174.418 0.843 1
1 463 . 4 1 1 A 38 38 ASN N N 38 122.494 119.449 3.045 1
1 464 . 4 1 1 A 38 38 ASN H H 38 8.674 8.026 0.648 1
1 465 . 4 1 1 A 38 38 ASN CA C 38 53.188 51.601 1.587 1
1 466 . 4 1 1 A 38 38 ASN HA H 38 4.863 5.144 -0.281 1
1 467 . 4 1 1 A 38 38 ASN CB C 38 40.525 41.286 -0.761 1
1 470 . 4 1 1 A 38 38 ASN C C 38 174.575 174.809 -0.234 1
1 471 . 4 1 1 A 39 39 LYS N N 39 120.915 122.263 -1.348 1
1 472 . 4 1 1 A 39 39 LYS H H 39 8.510 8.873 -0.363 1
1 473 . 4 1 1 A 39 39 LYS CA C 39 58.333 56.600 1.733 1
1 474 . 4 1 1 A 39 39 LYS HA H 39 4.247 4.921 -0.674 1
1 475 . 4 1 1 A 39 39 LYS CB C 39 32.520 33.870 -1.350 1
1 485 . 4 1 1 A 39 39 LYS C C 39 176.236 177.473 -1.237 1
1 486 . 4 1 1 A 40 40 ASP N N 40 114.628 117.415 -2.787 1
1 487 . 4 1 1 A 40 40 ASP H H 40 8.173 8.135 0.038 1
1 488 . 4 1 1 A 40 40 ASP CA C 40 55.380 56.041 -0.661 1
1 489 . 4 1 1 A 40 40 ASP HA H 40 4.544 4.288 0.256 1
1 490 . 4 1 1 A 40 40 ASP CB C 40 43.415 42.137 1.278 1
1 493 . 4 1 1 A 40 40 ASP C C 40 176.967 175.814 1.153 1
1 494 . 4 1 1 A 41 41 TRP N N 41 122.703 115.410 7.293 1
1 495 . 4 1 1 A 41 41 TRP H H 41 8.209 7.629 0.580 1
1 496 . 4 1 1 A 41 41 TRP CA C 41 56.184 56.004 0.180 1
1 497 . 4 1 1 A 41 41 TRP HA H 41 5.075 5.454 -0.379 1
1 498 . 4 1 1 A 41 41 TRP CB C 41 32.019 33.329 -1.310 1
1 513 . 4 1 1 A 41 41 TRP C C 41 174.176 175.488 -1.312 1
1 514 . 4 1 1 A 42 42 TRP N N 42 124.895 123.438 1.457 1
1 515 . 4 1 1 A 42 42 TRP H H 42 9.366 9.220 0.146 1
1 516 . 4 1 1 A 42 42 TRP CA C 42 54.076 55.629 -1.553 1
1 517 . 4 1 1 A 42 42 TRP HA H 42 5.523 5.322 0.201 1
1 518 . 4 1 1 A 42 42 TRP CB C 42 31.447 32.322 -0.875 1
1 533 . 4 1 1 A 42 42 TRP C C 42 174.109 175.425 -1.316 1
1 534 . 4 1 1 A 43 43 LYS N N 43 124.120 124.569 -0.449 1
1 535 . 4 1 1 A 43 43 LYS H H 43 8.883 9.208 -0.325 1
1 536 . 4 1 1 A 43 43 LYS CA C 43 55.158 55.903 -0.745 1
1 537 . 4 1 1 A 43 43 LYS HA H 43 4.368 4.617 -0.249 1
1 538 . 4 1 1 A 43 43 LYS CB C 43 33.794 33.168 0.626 1
1 550 . 4 1 1 A 43 43 LYS C C 43 175.416 176.128 -0.712 1
1 551 . 4 1 1 A 44 44 VAL N N 44 122.055 121.044 1.011 1
1 552 . 4 1 1 A 44 44 VAL H H 44 9.427 8.963 0.464 1
1 553 . 4 1 1 A 44 44 VAL CA C 44 58.825 58.893 -0.068 1
1 554 . 4 1 1 A 44 44 VAL HA H 44 5.375 5.298 0.077 1
1 555 . 4 1 1 A 44 44 VAL CB C 44 36.593 35.287 1.306 1
1 565 . 4 1 1 A 44 44 VAL C C 44 173.223 173.499 -0.276 1
1 566 . 4 1 1 A 45 45 GLU N N 45 118.673 122.531 -3.858 1
1 567 . 4 1 1 A 45 45 GLU H H 45 8.733 8.889 -0.156 1
1 568 . 4 1 1 A 45 45 GLU CA C 45 54.249 54.814 -0.565 1
1 569 . 4 1 1 A 45 45 GLU HA H 45 5.432 4.854 0.578 1
1 570 . 4 1 1 A 45 45 GLU CB C 45 33.286 31.321 1.965 1
1 576 . 4 1 1 A 45 45 GLU C C 45 174.774 176.028 -1.254 1
1 577 . 4 1 1 A 46 46 VAL N N 46 123.551 121.918 1.633 1
1 578 . 4 1 1 A 46 46 VAL H H 46 9.058 9.055 0.003 1
1 579 . 4 1 1 A 46 46 VAL CA C 46 59.627 59.592 0.035 1
1 580 . 4 1 1 A 46 46 VAL HA H 46 4.669 4.969 -0.300 1
1 581 . 4 1 1 A 46 46 VAL CB C 46 35.290 34.078 1.212 1
1 590 . 4 1 1 A 46 46 VAL C C 46 173.534 175.108 -1.574 1
1 591 . 4 1 1 A 47 47 LYS N N 47 124.992 120.903 4.089 1
1 592 . 4 1 1 A 47 47 LYS H H 47 8.446 8.276 0.170 1
1 593 . 4 1 1 A 47 47 LYS CA C 47 55.905 54.457 1.448 1
1 594 . 4 1 1 A 47 47 LYS HA H 47 4.763 4.927 -0.164 1
1 595 . 4 1 1 A 47 47 LYS CB C 47 33.450 35.857 -2.407 1
1 605 . 4 1 1 A 47 47 LYS C C 47 175.306 175.234 0.072 1
1 606 . 4 1 1 A 48 48 ALA N N 48 128.781 122.609 6.172 1
1 607 . 4 1 1 A 48 48 ALA H H 48 8.757 8.454 0.303 1
1 608 . 4 1 1 A 48 48 ALA CA C 48 50.828 50.524 0.304 1
1 609 . 4 1 1 A 48 48 ALA HA H 48 4.616 4.965 -0.349 1
1 613 . 4 1 1 A 48 48 ALA CB C 48 21.741 23.707 -1.966 1
1 614 . 4 1 1 A 48 48 ALA C C 48 175.173 175.298 -0.125 1
1 615 . 4 1 1 A 49 49 THR N N 49 113.585 114.601 -1.016 1
1 616 . 4 1 1 A 49 49 THR H H 49 8.333 8.563 -0.230 1
1 617 . 4 1 1 A 49 49 THR CA C 49 60.826 60.666 0.160 1
1 618 . 4 1 1 A 49 49 THR HA H 49 5.257 5.501 -0.244 1
1 619 . 4 1 1 A 49 49 THR CB C 49 71.045 71.700 -0.655 1
1 624 . 4 1 1 A 49 49 THR C C 49 174.176 173.251 0.925 1
1 625 . 4 1 1 A 50 50 ALA N N 50 127.142 125.770 1.372 1
1 626 . 4 1 1 A 50 50 ALA H H 50 8.914 9.086 -0.172 1
1 627 . 4 1 1 A 50 50 ALA CA C 50 52.345 51.746 0.599 1
1 628 . 4 1 1 A 50 50 ALA HA H 50 4.603 4.611 -0.008 1
1 632 . 4 1 1 A 50 50 ALA CB C 50 20.935 22.568 -1.633 1
1 633 . 4 1 1 A 50 50 ALA C C 50 177.299 175.763 1.536 1
1 634 . 4 1 1 A 51 51 ASN N N 51 121.555 121.913 -0.358 1
1 635 . 4 1 1 A 51 51 ASN H H 51 9.491 9.295 0.196 1
1 636 . 4 1 1 A 51 51 ASN CA C 51 54.177 54.419 -0.242 1
1 637 . 4 1 1 A 51 51 ASN HA H 51 4.389 4.421 -0.032 1
1 638 . 4 1 1 A 51 51 ASN CB C 51 37.413 37.246 0.167 1
1 641 . 4 1 1 A 51 51 ASN C C 51 175.106 175.582 -0.476 1
1 642 . 4 1 1 A 52 52 GLY N N 52 103.942 104.315 -0.373 1
1 643 . 4 1 1 A 52 52 GLY H H 52 8.681 8.706 -0.025 1
1 644 . 4 1 1 A 52 52 GLY CA C 52 45.443 45.791 -0.348 1
1 645 . 4 1 1 A 52 52 GLY HA2 H 52 3.624 3.901 -0.277 1
1 646 . 4 1 1 A 52 52 GLY HA3 H 52 4.143 3.907 0.236 1
1 647 . 4 1 1 A 52 52 GLY C C 52 173.666 173.812 -0.146 1
1 648 . 4 1 1 A 53 53 LYS N N 53 121.213 120.079 1.134 1
1 649 . 4 1 1 A 53 53 LYS H H 53 7.893 8.052 -0.159 1
1 650 . 4 1 1 A 53 53 LYS CA C 53 54.807 54.205 0.602 1
1 651 . 4 1 1 A 53 53 LYS HA H 53 4.727 4.867 -0.140 1
1 652 . 4 1 1 A 53 53 LYS CB C 53 34.737 35.652 -0.915 1
1 664 . 4 1 1 A 53 53 LYS C C 53 175.239 175.465 -0.226 1
1 665 . 4 1 1 A 54 54 THR N N 54 118.501 114.644 3.857 1
1 666 . 4 1 1 A 54 54 THR H H 54 8.498 8.876 -0.378 1
1 667 . 4 1 1 A 54 54 THR CA C 54 61.925 61.140 0.785 1
1 668 . 4 1 1 A 54 54 THR HA H 54 5.117 5.496 -0.379 1
1 669 . 4 1 1 A 54 54 THR CB C 54 70.294 70.362 -0.068 1
1 675 . 4 1 1 A 54 54 THR C C 54 173.733 173.814 -0.081 1
1 676 . 4 1 1 A 55 55 TYR N N 55 125.105 119.413 5.692 1
1 677 . 4 1 1 A 55 55 TYR H H 55 9.122 9.336 -0.214 1
1 678 . 4 1 1 A 55 55 TYR CA C 55 56.149 55.271 0.878 1
1 679 . 4 1 1 A 55 55 TYR HA H 55 4.857 5.410 -0.553 1
1 680 . 4 1 1 A 55 55 TYR CB C 55 40.090 41.082 -0.992 1
1 691 . 4 1 1 A 55 55 TYR C C 55 172.847 173.224 -0.377 1
1 692 . 4 1 1 A 56 56 GLU N N 56 119.744 119.176 0.568 1
1 693 . 4 1 1 A 56 56 GLU H H 56 8.503 8.785 -0.282 1
1 694 . 4 1 1 A 56 56 GLU CA C 56 54.739 54.964 -0.225 1
1 695 . 4 1 1 A 56 56 GLU HA H 56 5.030 5.121 -0.091 1
1 696 . 4 1 1 A 56 56 GLU CB C 56 30.297 33.028 -2.731 1
1 701 . 4 1 1 A 56 56 GLU C C 56 175.394 175.309 0.085 1
1 702 . 4 1 1 A 57 57 ARG N N 57 123.665 119.488 4.177 1
1 703 . 4 1 1 A 57 57 ARG H H 57 8.897 8.897 0.000 1
1 704 . 4 1 1 A 57 57 ARG CA C 57 54.944 54.697 0.247 1
1 705 . 4 1 1 A 57 57 ARG HA H 57 4.663 5.099 -0.436 1
1 706 . 4 1 1 A 57 57 ARG CB C 57 33.471 33.959 -0.488 1
1 713 . 4 1 1 A 57 57 ARG C C 57 174.198 174.451 -0.253 1
1 714 . 4 1 1 A 58 58 GLN N N 58 119.967 121.421 -1.454 1
1 715 . 4 1 1 A 58 58 GLN H H 58 8.604 8.555 0.049 1
1 716 . 4 1 1 A 58 58 GLN CA C 58 53.394 54.839 -1.445 1
1 717 . 4 1 1 A 58 58 GLN HA H 58 5.602 4.986 0.616 1
1 718 . 4 1 1 A 58 58 GLN CB C 58 31.229 30.763 0.466 1
1 724 . 4 1 1 A 58 58 GLN C C 58 175.771 176.034 -0.263 1
1 725 . 4 1 1 A 59 59 GLY N N 59 107.507 108.768 -1.261 1
1 726 . 4 1 1 A 59 59 GLY H H 59 8.652 8.549 0.103 1
1 727 . 4 1 1 A 59 59 GLY CA C 59 45.583 45.390 0.193 1
1 728 . 4 1 1 A 59 59 GLY HA2 H 59 3.947 4.284 -0.337 1
1 729 . 4 1 1 A 59 59 GLY HA3 H 59 3.947 4.360 -0.413 1
1 730 . 4 1 1 A 59 59 GLY C C 59 170.255 171.784 -1.529 1
1 731 . 4 1 1 A 60 60 PHE N N 60 119.079 119.145 -0.066 1
1 732 . 4 1 1 A 60 60 PHE H H 60 9.153 8.697 0.456 1
1 733 . 4 1 1 A 60 60 PHE CA C 60 58.544 56.819 1.725 1
1 734 . 4 1 1 A 60 60 PHE HA H 60 5.666 5.606 0.060 1
1 735 . 4 1 1 A 60 60 PHE CB C 60 42.484 42.108 0.376 1
1 748 . 4 1 1 A 60 60 PHE C C 60 175.461 175.548 -0.087 1
1 749 . 4 1 1 A 61 61 VAL N N 61 110.995 116.865 -5.870 1
1 750 . 4 1 1 A 61 61 VAL H H 61 9.065 9.035 0.030 1
1 751 . 4 1 1 A 61 61 VAL CA C 61 58.189 58.170 0.019 1
1 752 . 4 1 1 A 61 61 VAL HA H 61 4.823 5.046 -0.223 1
1 753 . 4 1 1 A 61 61 VAL CB C 61 33.521 34.411 -0.890 1
1 764 . 4 1 1 A 62 62 PRO CA C 62 61.852 61.862 -0.010 1
1 765 . 4 1 1 A 62 62 PRO HA H 62 3.556 3.711 -0.155 1
1 766 . 4 1 1 A 62 62 PRO CB C 62 29.777 30.724 -0.947 1
1 774 . 4 1 1 A 62 62 PRO C C 62 177.787 177.316 0.471 1
1 775 . 4 1 1 A 63 63 ALA N N 63 129.142 127.643 1.499 1
1 776 . 4 1 1 A 63 63 ALA H H 63 7.477 8.076 -0.599 1
1 777 . 4 1 1 A 63 63 ALA CA C 63 54.472 53.489 0.983 1
1 778 . 4 1 1 A 63 63 ALA HA H 63 2.652 3.046 -0.394 1
1 782 . 4 1 1 A 63 63 ALA CB C 63 15.666 17.096 -1.430 1
1 783 . 4 1 1 A 63 63 ALA C C 63 178.429 178.374 0.055 1
1 784 . 4 1 1 A 64 64 ALA N N 64 113.522 119.172 -5.650 1
1 785 . 4 1 1 A 64 64 ALA H H 64 7.867 7.075 0.792 1
1 786 . 4 1 1 A 64 64 ALA CA C 64 52.768 54.093 -1.325 1
1 787 . 4 1 1 A 64 64 ALA HA H 64 4.006 3.892 0.114 1
1 791 . 4 1 1 A 64 64 ALA CB C 64 17.629 17.894 -0.265 1
1 792 . 4 1 1 A 64 64 ALA C C 64 178.097 178.064 0.033 1
1 793 . 4 1 1 A 65 65 TYR N N 65 116.109 116.314 -0.205 1
1 794 . 4 1 1 A 65 65 TYR H H 65 7.698 7.572 0.126 1
1 795 . 4 1 1 A 65 65 TYR CA C 65 56.328 58.901 -2.573 1
1 796 . 4 1 1 A 65 65 TYR HA H 65 4.758 4.772 -0.014 1
1 797 . 4 1 1 A 65 65 TYR CB C 65 37.765 40.097 -2.332 1
1 808 . 4 1 1 A 65 65 TYR C C 65 174.375 175.752 -1.377 1
1 809 . 4 1 1 A 66 66 VAL N N 66 111.053 114.697 -3.644 1
1 810 . 4 1 1 A 66 66 VAL H H 66 7.415 7.148 0.267 1
1 811 . 4 1 1 A 66 66 VAL CA C 66 58.119 59.216 -1.097 1
1 812 . 4 1 1 A 66 66 VAL HA H 66 5.538 5.217 0.321 1
1 813 . 4 1 1 A 66 66 VAL CB C 66 35.809 34.588 1.221 1
1 823 . 4 1 1 A 66 66 VAL C C 66 173.511 174.252 -0.741 1
1 824 . 4 1 1 A 67 67 LYS N N 67 118.588 122.144 -3.556 1
1 825 . 4 1 1 A 67 67 LYS H H 67 8.631 8.736 -0.105 1
1 826 . 4 1 1 A 67 67 LYS CA C 67 54.035 54.923 -0.888 1
1 827 . 4 1 1 A 67 67 LYS HA H 67 4.830 5.221 -0.391 1
1 828 . 4 1 1 A 67 67 LYS CB C 67 36.779 36.583 0.196 1
1 838 . 4 1 1 A 67 67 LYS C C 67 175.992 174.403 1.589 1
1 839 . 4 1 1 A 68 68 LYS N N 68 125.838 126.747 -0.909 1
1 840 . 4 1 1 A 68 68 LYS H H 68 9.227 8.637 0.590 1
1 841 . 4 1 1 A 68 68 LYS CA C 68 58.335 56.887 1.448 1
1 842 . 4 1 1 A 68 68 LYS HA H 68 4.494 4.357 0.137 1
1 843 . 4 1 1 A 68 68 LYS CB C 68 32.893 33.153 -0.260 1
1 853 . 4 1 1 A 68 68 LYS C C 68 176.657 177.090 -0.433 1
1 854 . 4 1 1 A 69 69 LEU N N 69 125.443 125.559 -0.116 1
1 855 . 4 1 1 A 69 69 LEU H H 69 8.449 8.604 -0.155 1
1 856 . 4 1 1 A 69 69 LEU CA C 69 54.873 54.208 0.665 1
1 857 . 4 1 1 A 69 69 LEU HA H 69 4.437 4.537 -0.100 1
1 858 . 4 1 1 A 69 69 LEU CB C 69 42.345 40.872 1.473 1
1 871 . 4 1 1 A 69 69 LEU C C 69 176.147 176.493 -0.346 1
1 10 . 5 1 1 A 2 2 ASP N N 2 123.485 118.424 5.061 1
1 11 . 5 1 1 A 2 2 ASP H H 2 8.809 8.524 0.285 1
1 12 . 5 1 1 A 2 2 ASP CA C 2 54.244 52.943 1.301 1
1 13 . 5 1 1 A 2 2 ASP HA H 2 4.673 4.966 -0.293 1
1 14 . 5 1 1 A 2 2 ASP CB C 2 40.452 40.647 -0.195 1
1 17 . 5 1 1 A 2 2 ASP C C 2 175.771 175.622 0.149 1
1 18 . 5 1 1 A 3 3 GLU N N 3 121.725 120.186 1.539 1
1 19 . 5 1 1 A 3 3 GLU H H 3 8.684 7.824 0.860 1
1 20 . 5 1 1 A 3 3 GLU CA C 3 56.162 54.730 1.432 1
1 21 . 5 1 1 A 3 3 GLU HA H 3 4.392 4.950 -0.558 1
1 22 . 5 1 1 A 3 3 GLU CB C 3 29.170 33.064 -3.894 1
1 28 . 5 1 1 A 3 3 GLU C C 3 176.546 175.339 1.207 1
1 29 . 5 1 1 A 4 4 THR N N 4 114.384 115.179 -0.795 1
1 30 . 5 1 1 A 4 4 THR H H 4 8.303 8.695 -0.392 1
1 31 . 5 1 1 A 4 4 THR CA C 4 62.347 61.208 1.139 1
1 32 . 5 1 1 A 4 4 THR HA H 4 4.278 4.820 -0.542 1
1 33 . 5 1 1 A 4 4 THR CB C 4 69.672 71.048 -1.376 1
1 39 . 5 1 1 A 4 4 THR C C 4 175.306 172.719 2.587 1
1 40 . 5 1 1 A 5 5 GLY N N 5 111.296 116.279 -4.983 1
1 41 . 5 1 1 A 5 5 GLY H H 5 8.422 8.673 -0.251 1
1 42 . 5 1 1 A 5 5 GLY CA C 5 45.302 45.539 -0.237 1
1 43 . 5 1 1 A 5 5 GLY HA2 H 5 3.928 4.225 -0.297 1
1 44 . 5 1 1 A 5 5 GLY HA3 H 5 3.928 4.225 -0.297 1
1 45 . 5 1 1 A 5 5 GLY C C 5 173.689 175.205 -1.516 1
1 46 . 5 1 1 A 6 6 LYS N N 6 119.850 118.662 1.188 1
1 47 . 5 1 1 A 6 6 LYS H H 6 8.008 7.958 0.050 1
1 48 . 5 1 1 A 6 6 LYS CA C 6 55.401 58.687 -3.286 1
1 49 . 5 1 1 A 6 6 LYS HA H 6 4.381 4.067 0.314 1
1 50 . 5 1 1 A 6 6 LYS CB C 6 33.225 32.289 0.936 1
1 62 . 5 1 1 A 6 6 LYS C C 6 175.948 176.404 -0.456 1
1 63 . 5 1 1 A 7 7 GLU N N 7 122.488 118.975 3.513 1
1 64 . 5 1 1 A 7 7 GLU H H 7 8.577 7.755 0.822 1
1 65 . 5 1 1 A 7 7 GLU CA C 7 55.690 56.309 -0.619 1
1 66 . 5 1 1 A 7 7 GLU HA H 7 4.495 4.633 -0.138 1
1 67 . 5 1 1 A 7 7 GLU CB C 7 30.382 31.192 -0.810 1
1 73 . 5 1 1 A 7 7 GLU C C 7 174.109 174.388 -0.279 1
1 74 . 5 1 1 A 8 8 LEU N N 8 123.063 127.400 -4.337 1
1 75 . 5 1 1 A 8 8 LEU H H 8 8.485 8.935 -0.450 1
1 76 . 5 1 1 A 8 8 LEU CA C 8 53.331 53.383 -0.052 1
1 77 . 5 1 1 A 8 8 LEU HA H 8 5.381 5.159 0.222 1
1 78 . 5 1 1 A 8 8 LEU CB C 8 45.077 45.219 -0.142 1
1 91 . 5 1 1 A 8 8 LEU C C 8 177.344 176.087 1.257 1
1 92 . 5 1 1 A 9 9 VAL N N 9 111.683 117.630 -5.947 1
1 93 . 5 1 1 A 9 9 VAL H H 9 9.111 9.331 -0.220 1
1 94 . 5 1 1 A 9 9 VAL CA C 9 57.854 58.877 -1.023 1
1 95 . 5 1 1 A 9 9 VAL HA H 9 5.214 4.871 0.343 1
1 96 . 5 1 1 A 9 9 VAL CB C 9 35.864 35.635 0.229 1
1 106 . 5 1 1 A 9 9 VAL C C 9 172.404 173.794 -1.390 1
1 107 . 5 1 1 A 10 10 LEU N N 10 123.366 126.018 -2.652 1
1 108 . 5 1 1 A 10 10 LEU H H 10 8.971 9.344 -0.373 1
1 109 . 5 1 1 A 10 10 LEU CA C 10 52.445 53.387 -0.942 1
1 110 . 5 1 1 A 10 10 LEU HA H 10 5.100 5.154 -0.054 1
1 111 . 5 1 1 A 10 10 LEU CB C 10 46.711 44.875 1.836 1
1 124 . 5 1 1 A 10 10 LEU C C 10 176.568 175.390 1.178 1
1 125 . 5 1 1 A 11 11 ALA N N 11 127.241 129.021 -1.780 1
1 126 . 5 1 1 A 11 11 ALA H H 11 9.160 9.094 0.066 1
1 127 . 5 1 1 A 11 11 ALA CA C 11 52.416 51.158 1.258 1
1 128 . 5 1 1 A 11 11 ALA HA H 11 4.610 4.513 0.097 1
1 132 . 5 1 1 A 11 11 ALA CB C 11 19.051 18.872 0.179 1
1 133 . 5 1 1 A 11 11 ALA C C 11 178.252 177.843 0.409 1
1 134 . 5 1 1 A 12 12 LEU N N 12 127.842 126.761 1.081 1
1 135 . 5 1 1 A 12 12 LEU H H 12 9.257 8.844 0.413 1
1 136 . 5 1 1 A 12 12 LEU CA C 12 55.585 57.444 -1.859 1
1 137 . 5 1 1 A 12 12 LEU HA H 12 3.884 4.063 -0.179 1
1 138 . 5 1 1 A 12 12 LEU CB C 12 43.192 42.452 0.740 1
1 151 . 5 1 1 A 12 12 LEU C C 12 174.951 176.406 -1.455 1
1 152 . 5 1 1 A 13 13 TYR N N 13 111.673 115.280 -3.607 1
1 153 . 5 1 1 A 13 13 TYR H H 13 7.129 7.684 -0.555 1
1 154 . 5 1 1 A 13 13 TYR CA C 13 54.530 56.948 -2.418 1
1 155 . 5 1 1 A 13 13 TYR HA H 13 4.617 4.903 -0.286 1
1 156 . 5 1 1 A 13 13 TYR CB C 13 42.982 41.471 1.511 1
1 167 . 5 1 1 A 13 13 TYR C C 13 173.600 174.189 -0.589 1
1 168 . 5 1 1 A 14 14 ASP N N 14 117.888 121.630 -3.742 1
1 169 . 5 1 1 A 14 14 ASP H H 14 8.328 8.816 -0.488 1
1 170 . 5 1 1 A 14 14 ASP CA C 14 54.527 52.894 1.633 1
1 171 . 5 1 1 A 14 14 ASP HA H 14 4.615 5.348 -0.733 1
1 172 . 5 1 1 A 14 14 ASP CB C 14 41.351 43.000 -1.649 1
1 175 . 5 1 1 A 14 14 ASP C C 14 176.125 174.285 1.840 1
1 176 . 5 1 1 A 15 15 TYR N N 15 120.102 123.480 -3.378 1
1 177 . 5 1 1 A 15 15 TYR H H 15 8.733 8.807 -0.074 1
1 178 . 5 1 1 A 15 15 TYR CA C 15 59.669 57.222 2.447 1
1 179 . 5 1 1 A 15 15 TYR HA H 15 4.662 5.169 -0.507 1
1 180 . 5 1 1 A 15 15 TYR CB C 15 43.400 41.900 1.500 1
1 191 . 5 1 1 A 15 15 TYR C C 15 172.803 173.934 -1.131 1
1 192 . 5 1 1 A 16 16 GLN N N 16 126.945 121.498 5.447 1
1 193 . 5 1 1 A 16 16 GLN H H 16 7.546 8.129 -0.583 1
1 194 . 5 1 1 A 16 16 GLN CA C 16 53.820 55.298 -1.478 1
1 195 . 5 1 1 A 16 16 GLN HA H 16 4.500 4.677 -0.177 1
1 196 . 5 1 1 A 16 16 GLN CB C 16 29.378 29.198 0.180 1
1 202 . 5 1 1 A 16 16 GLN C C 16 173.910 174.785 -0.875 1
1 203 . 5 1 1 A 17 17 GLU N N 17 123.035 125.164 -2.129 1
1 204 . 5 1 1 A 17 17 GLU H H 17 7.930 8.917 -0.987 1
1 205 . 5 1 1 A 17 17 GLU CA C 17 56.078 56.794 -0.716 1
1 206 . 5 1 1 A 17 17 GLU HA H 17 4.211 4.301 -0.090 1
1 207 . 5 1 1 A 17 17 GLU CB C 17 29.520 30.150 -0.630 1
1 213 . 5 1 1 A 17 17 GLU C C 17 175.926 177.119 -1.193 1
1 214 . 5 1 1 A 18 18 LYS N N 18 120.770 119.187 1.583 1
1 215 . 5 1 1 A 18 18 LYS H H 18 8.801 8.772 0.029 1
1 216 . 5 1 1 A 18 18 LYS CA C 18 55.164 55.662 -0.498 1
1 217 . 5 1 1 A 18 18 LYS HA H 18 4.424 4.675 -0.251 1
1 218 . 5 1 1 A 18 18 LYS CB C 18 33.328 33.681 -0.353 1
1 230 . 5 1 1 A 18 18 LYS C C 18 176.192 175.643 0.549 1
1 231 . 5 1 1 A 19 19 SER N N 19 114.841 111.324 3.517 1
1 232 . 5 1 1 A 19 19 SER H H 19 7.619 7.499 0.120 1
1 233 . 5 1 1 A 19 19 SER CA C 19 56.678 55.142 1.536 1
1 234 . 5 1 1 A 19 19 SER HA H 19 4.863 5.080 -0.217 1
1 235 . 5 1 1 A 19 19 SER CB C 19 64.060 65.786 -1.726 1
1 239 . 5 1 1 A 20 20 PRO CA C 20 64.803 64.571 0.232 1
1 240 . 5 1 1 A 20 20 PRO HA H 20 4.549 4.532 0.017 1
1 241 . 5 1 1 A 20 20 PRO CB C 20 31.894 31.904 -0.010 1
1 249 . 5 1 1 A 20 20 PRO C C 20 176.679 177.142 -0.463 1
1 250 . 5 1 1 A 21 21 ARG N N 21 113.864 117.748 -3.884 1
1 251 . 5 1 1 A 21 21 ARG H H 21 7.687 7.900 -0.213 1
1 252 . 5 1 1 A 21 21 ARG CA C 21 56.119 55.536 0.583 1
1 253 . 5 1 1 A 21 21 ARG HA H 21 4.598 4.653 -0.055 1
1 254 . 5 1 1 A 21 21 ARG CB C 21 30.299 31.163 -0.864 1
1 263 . 5 1 1 A 21 21 ARG C C 21 176.369 174.967 1.402 1
1 264 . 5 1 1 A 22 22 GLU N N 22 121.539 122.164 -0.625 1
1 265 . 5 1 1 A 22 22 GLU H H 22 7.842 7.189 0.653 1
1 266 . 5 1 1 A 22 22 GLU CA C 22 54.951 55.086 -0.135 1
1 267 . 5 1 1 A 22 22 GLU HA H 22 5.484 5.124 0.360 1
1 268 . 5 1 1 A 22 22 GLU CB C 22 33.535 33.576 -0.041 1
1 274 . 5 1 1 A 22 22 GLU C C 22 174.375 174.724 -0.349 1
1 275 . 5 1 1 A 23 23 VAL N N 23 111.923 118.667 -6.744 1
1 276 . 5 1 1 A 23 23 VAL H H 23 7.373 8.781 -1.408 1
1 277 . 5 1 1 A 23 23 VAL CA C 23 59.570 59.671 -0.101 1
1 278 . 5 1 1 A 23 23 VAL HA H 23 4.531 5.147 -0.616 1
1 279 . 5 1 1 A 23 23 VAL CB C 23 34.667 36.298 -1.631 1
1 289 . 5 1 1 A 23 23 VAL C C 23 172.625 173.759 -1.134 1
1 290 . 5 1 1 A 24 24 THR N N 24 117.656 115.415 2.241 1
1 291 . 5 1 1 A 24 24 THR H H 24 7.112 8.813 -1.701 1
1 292 . 5 1 1 A 24 24 THR CA C 24 61.994 60.422 1.572 1
1 293 . 5 1 1 A 24 24 THR HA H 24 5.119 5.191 -0.072 1
1 294 . 5 1 1 A 24 24 THR CB C 24 71.220 71.420 -0.200 1
1 300 . 5 1 1 A 24 24 THR C C 24 174.309 171.853 2.456 1
1 301 . 5 1 1 A 25 25 MET N N 25 122.056 123.354 -1.298 1
1 302 . 5 1 1 A 25 25 MET H H 25 9.515 8.957 0.558 1
1 303 . 5 1 1 A 25 25 MET CA C 25 54.247 54.408 -0.161 1
1 304 . 5 1 1 A 25 25 MET HA H 25 4.935 5.163 -0.228 1
1 305 . 5 1 1 A 25 25 MET CB C 25 36.287 37.821 -1.534 1
1 312 . 5 1 1 A 25 25 MET C C 25 173.777 175.132 -1.355 1
1 313 . 5 1 1 A 26 26 LYS N N 26 124.668 118.595 6.073 1
1 314 . 5 1 1 A 26 26 LYS H H 26 8.949 8.680 0.269 1
1 315 . 5 1 1 A 26 26 LYS CA C 26 53.476 54.623 -1.147 1
1 316 . 5 1 1 A 26 26 LYS HA H 26 4.896 5.209 -0.313 1
1 317 . 5 1 1 A 26 26 LYS CB C 26 34.097 36.248 -2.151 1
1 327 . 5 1 1 A 26 26 LYS C C 26 174.929 176.270 -1.341 1
1 328 . 5 1 1 A 27 27 LYS N N 27 122.567 122.069 0.498 1
1 329 . 5 1 1 A 27 27 LYS H H 27 9.061 8.454 0.607 1
1 330 . 5 1 1 A 27 27 LYS CA C 27 58.539 57.184 1.355 1
1 331 . 5 1 1 A 27 27 LYS HA H 27 4.656 4.056 0.600 1
1 332 . 5 1 1 A 27 27 LYS CB C 27 32.202 31.933 0.269 1
1 344 . 5 1 1 A 27 27 LYS C C 27 177.344 176.990 0.354 1
1 345 . 5 1 1 A 28 28 GLY N N 28 115.884 113.046 2.838 1
1 346 . 5 1 1 A 28 28 GLY H H 28 8.900 9.200 -0.300 1
1 347 . 5 1 1 A 28 28 GLY CA C 28 44.779 45.243 -0.464 1
1 348 . 5 1 1 A 28 28 GLY HA2 H 28 3.523 3.940 -0.417 1
1 349 . 5 1 1 A 28 28 GLY HA3 H 28 4.469 3.943 0.526 1
1 350 . 5 1 1 A 28 28 GLY C C 28 174.021 173.951 0.070 1
1 351 . 5 1 1 A 29 29 ASP N N 29 122.466 120.165 2.301 1
1 352 . 5 1 1 A 29 29 ASP H H 29 8.513 7.965 0.548 1
1 353 . 5 1 1 A 29 29 ASP CA C 29 55.711 53.818 1.893 1
1 354 . 5 1 1 A 29 29 ASP HA H 29 4.523 5.009 -0.486 1
1 355 . 5 1 1 A 29 29 ASP CB C 29 41.361 43.006 -1.645 1
1 358 . 5 1 1 A 29 29 ASP C C 29 174.331 174.814 -0.483 1
1 359 . 5 1 1 A 30 30 ILE N N 30 120.470 119.472 0.998 1
1 360 . 5 1 1 A 30 30 ILE H H 30 8.204 8.518 -0.314 1
1 361 . 5 1 1 A 30 30 ILE CA C 30 60.164 60.260 -0.096 1
1 362 . 5 1 1 A 30 30 ILE HA H 30 5.025 5.165 -0.140 1
1 363 . 5 1 1 A 30 30 ILE CB C 30 38.257 41.676 -3.419 1
1 372 . 5 1 1 A 30 30 ILE C C 30 176.236 174.754 1.482 1
1 373 . 5 1 1 A 31 31 LEU N N 31 128.265 126.451 1.814 1
1 374 . 5 1 1 A 31 31 LEU H H 31 9.353 8.926 0.427 1
1 375 . 5 1 1 A 31 31 LEU CA C 31 53.601 53.796 -0.195 1
1 376 . 5 1 1 A 31 31 LEU HA H 31 4.998 5.125 -0.127 1
1 377 . 5 1 1 A 31 31 LEU CB C 31 43.893 45.353 -1.460 1
1 388 . 5 1 1 A 31 31 LEU C C 31 175.638 175.744 -0.106 1
1 389 . 5 1 1 A 32 32 THR N N 32 117.089 119.164 -2.075 1
1 390 . 5 1 1 A 32 32 THR H H 32 8.141 8.764 -0.623 1
1 391 . 5 1 1 A 32 32 THR CA C 32 63.263 62.415 0.848 1
1 392 . 5 1 1 A 32 32 THR HA H 32 4.619 4.567 0.052 1
1 393 . 5 1 1 A 32 32 THR CB C 32 69.867 69.450 0.417 1
1 399 . 5 1 1 A 32 32 THR C C 32 173.600 174.058 -0.458 1
1 400 . 5 1 1 A 33 33 LEU N N 33 129.212 128.618 0.594 1
1 401 . 5 1 1 A 33 33 LEU H H 33 9.070 8.898 0.172 1
1 402 . 5 1 1 A 33 33 LEU CA C 33 54.671 55.677 -1.006 1
1 403 . 5 1 1 A 33 33 LEU HA H 33 4.356 4.390 -0.034 1
1 404 . 5 1 1 A 33 33 LEU CB C 33 42.968 42.547 0.421 1
1 417 . 5 1 1 A 33 33 LEU C C 33 174.553 175.960 -1.407 1
1 418 . 5 1 1 A 34 34 LEU N N 34 125.880 127.790 -1.910 1
1 419 . 5 1 1 A 34 34 LEU H H 34 9.051 9.417 -0.366 1
1 420 . 5 1 1 A 34 34 LEU CA C 34 54.811 55.794 -0.983 1
1 421 . 5 1 1 A 34 34 LEU HA H 34 4.532 4.452 0.080 1
1 422 . 5 1 1 A 34 34 LEU CB C 34 42.977 43.417 -0.440 1
1 434 . 5 1 1 A 34 34 LEU C C 34 177.477 176.479 0.998 1
1 435 . 5 1 1 A 35 35 ASN N N 35 113.971 115.468 -1.497 1
1 436 . 5 1 1 A 35 35 ASN H H 35 7.600 7.526 0.074 1
1 437 . 5 1 1 A 35 35 ASN CA C 35 54.543 52.094 2.449 1
1 438 . 5 1 1 A 35 35 ASN HA H 35 4.680 5.107 -0.427 1
1 439 . 5 1 1 A 35 35 ASN CB C 35 40.958 41.662 -0.704 1
1 443 . 5 1 1 A 35 35 ASN C C 35 174.375 174.092 0.283 1
1 444 . 5 1 1 A 36 36 SER N N 36 123.815 116.319 7.496 1
1 445 . 5 1 1 A 36 36 SER H H 36 9.194 8.455 0.739 1
1 446 . 5 1 1 A 36 36 SER CA C 36 56.692 56.911 -0.219 1
1 447 . 5 1 1 A 36 36 SER HA H 36 3.921 4.781 -0.860 1
1 448 . 5 1 1 A 36 36 SER CB C 36 62.180 62.493 -0.313 1
1 451 . 5 1 1 A 36 36 SER C C 36 173.401 175.391 -1.990 1
1 452 . 5 1 1 A 37 37 THR N N 37 115.041 115.746 -0.705 1
1 453 . 5 1 1 A 37 37 THR H H 37 8.178 7.718 0.460 1
1 454 . 5 1 1 A 37 37 THR CA C 37 65.484 65.124 0.360 1
1 455 . 5 1 1 A 37 37 THR HA H 37 4.528 4.054 0.474 1
1 456 . 5 1 1 A 37 37 THR CB C 37 69.416 69.006 0.410 1
1 462 . 5 1 1 A 37 37 THR C C 37 175.261 174.646 0.615 1
1 463 . 5 1 1 A 38 38 ASN N N 38 122.494 119.240 3.254 1
1 464 . 5 1 1 A 38 38 ASN H H 38 8.674 8.083 0.591 1
1 465 . 5 1 1 A 38 38 ASN CA C 38 53.188 51.686 1.502 1
1 466 . 5 1 1 A 38 38 ASN HA H 38 4.863 5.114 -0.251 1
1 467 . 5 1 1 A 38 38 ASN CB C 38 40.525 41.388 -0.863 1
1 470 . 5 1 1 A 38 38 ASN C C 38 174.575 174.819 -0.244 1
1 471 . 5 1 1 A 39 39 LYS N N 39 120.915 122.208 -1.293 1
1 472 . 5 1 1 A 39 39 LYS H H 39 8.510 8.874 -0.364 1
1 473 . 5 1 1 A 39 39 LYS CA C 39 58.333 56.676 1.657 1
1 474 . 5 1 1 A 39 39 LYS HA H 39 4.247 4.948 -0.701 1
1 475 . 5 1 1 A 39 39 LYS CB C 39 32.520 34.095 -1.575 1
1 485 . 5 1 1 A 39 39 LYS C C 39 176.236 177.480 -1.244 1
1 486 . 5 1 1 A 40 40 ASP N N 40 114.628 117.429 -2.801 1
1 487 . 5 1 1 A 40 40 ASP H H 40 8.173 7.811 0.362 1
1 488 . 5 1 1 A 40 40 ASP CA C 40 55.380 55.968 -0.588 1
1 489 . 5 1 1 A 40 40 ASP HA H 40 4.544 4.264 0.280 1
1 490 . 5 1 1 A 40 40 ASP CB C 40 43.415 42.168 1.247 1
1 493 . 5 1 1 A 40 40 ASP C C 40 176.967 175.694 1.273 1
1 494 . 5 1 1 A 41 41 TRP N N 41 122.703 115.275 7.428 1
1 495 . 5 1 1 A 41 41 TRP H H 41 8.209 7.689 0.520 1
1 496 . 5 1 1 A 41 41 TRP CA C 41 56.184 55.881 0.303 1
1 497 . 5 1 1 A 41 41 TRP HA H 41 5.075 5.379 -0.304 1
1 498 . 5 1 1 A 41 41 TRP CB C 41 32.019 33.092 -1.073 1
1 513 . 5 1 1 A 41 41 TRP C C 41 174.176 175.567 -1.391 1
1 514 . 5 1 1 A 42 42 TRP N N 42 124.895 123.017 1.878 1
1 515 . 5 1 1 A 42 42 TRP H H 42 9.366 9.103 0.263 1
1 516 . 5 1 1 A 42 42 TRP CA C 42 54.076 55.570 -1.494 1
1 517 . 5 1 1 A 42 42 TRP HA H 42 5.523 5.404 0.119 1
1 518 . 5 1 1 A 42 42 TRP CB C 42 31.447 32.430 -0.983 1
1 533 . 5 1 1 A 42 42 TRP C C 42 174.109 175.447 -1.338 1
1 534 . 5 1 1 A 43 43 LYS N N 43 124.120 124.603 -0.483 1
1 535 . 5 1 1 A 43 43 LYS H H 43 8.883 9.139 -0.256 1
1 536 . 5 1 1 A 43 43 LYS CA C 43 55.158 55.530 -0.372 1
1 537 . 5 1 1 A 43 43 LYS HA H 43 4.368 5.038 -0.670 1
1 538 . 5 1 1 A 43 43 LYS CB C 43 33.794 33.861 -0.067 1
1 550 . 5 1 1 A 43 43 LYS C C 43 175.416 176.227 -0.811 1
1 551 . 5 1 1 A 44 44 VAL N N 44 122.055 119.626 2.429 1
1 552 . 5 1 1 A 44 44 VAL H H 44 9.427 9.013 0.414 1
1 553 . 5 1 1 A 44 44 VAL CA C 44 58.825 58.674 0.151 1
1 554 . 5 1 1 A 44 44 VAL HA H 44 5.375 5.275 0.100 1
1 555 . 5 1 1 A 44 44 VAL CB C 44 36.593 35.857 0.736 1
1 565 . 5 1 1 A 44 44 VAL C C 44 173.223 173.329 -0.106 1
1 566 . 5 1 1 A 45 45 GLU N N 45 118.673 121.817 -3.144 1
1 567 . 5 1 1 A 45 45 GLU H H 45 8.733 8.798 -0.065 1
1 568 . 5 1 1 A 45 45 GLU CA C 45 54.249 54.719 -0.470 1
1 569 . 5 1 1 A 45 45 GLU HA H 45 5.432 5.161 0.271 1
1 570 . 5 1 1 A 45 45 GLU CB C 45 33.286 33.063 0.223 1
1 576 . 5 1 1 A 45 45 GLU C C 45 174.774 175.375 -0.601 1
1 577 . 5 1 1 A 46 46 VAL N N 46 123.551 120.598 2.953 1
1 578 . 5 1 1 A 46 46 VAL H H 46 9.058 9.480 -0.422 1
1 579 . 5 1 1 A 46 46 VAL CA C 46 59.627 59.133 0.494 1
1 580 . 5 1 1 A 46 46 VAL HA H 46 4.669 5.090 -0.421 1
1 581 . 5 1 1 A 46 46 VAL CB C 46 35.290 35.260 0.030 1
1 590 . 5 1 1 A 46 46 VAL C C 46 173.534 174.973 -1.439 1
1 591 . 5 1 1 A 47 47 LYS N N 47 124.992 121.201 3.791 1
1 592 . 5 1 1 A 47 47 LYS H H 47 8.446 8.424 0.022 1
1 593 . 5 1 1 A 47 47 LYS CA C 47 55.905 54.632 1.273 1
1 594 . 5 1 1 A 47 47 LYS HA H 47 4.763 4.916 -0.153 1
1 595 . 5 1 1 A 47 47 LYS CB C 47 33.450 35.284 -1.834 1
1 605 . 5 1 1 A 47 47 LYS C C 47 175.306 175.422 -0.116 1
1 606 . 5 1 1 A 48 48 ALA N N 48 128.781 123.039 5.742 1
1 607 . 5 1 1 A 48 48 ALA H H 48 8.757 8.552 0.205 1
1 608 . 5 1 1 A 48 48 ALA CA C 48 50.828 50.358 0.470 1
1 609 . 5 1 1 A 48 48 ALA HA H 48 4.616 4.937 -0.321 1
1 613 . 5 1 1 A 48 48 ALA CB C 48 21.741 23.517 -1.776 1
1 614 . 5 1 1 A 48 48 ALA C C 48 175.173 175.065 0.108 1
1 615 . 5 1 1 A 49 49 THR N N 49 113.585 115.199 -1.614 1
1 616 . 5 1 1 A 49 49 THR H H 49 8.333 8.539 -0.206 1
1 617 . 5 1 1 A 49 49 THR CA C 49 60.826 61.159 -0.333 1
1 618 . 5 1 1 A 49 49 THR HA H 49 5.257 5.446 -0.189 1
1 619 . 5 1 1 A 49 49 THR CB C 49 71.045 71.355 -0.310 1
1 624 . 5 1 1 A 49 49 THR C C 49 174.176 173.200 0.976 1
1 625 . 5 1 1 A 50 50 ALA N N 50 127.142 127.261 -0.119 1
1 626 . 5 1 1 A 50 50 ALA H H 50 8.914 9.059 -0.145 1
1 627 . 5 1 1 A 50 50 ALA CA C 50 52.345 51.007 1.338 1
1 628 . 5 1 1 A 50 50 ALA HA H 50 4.603 4.834 -0.231 1
1 632 . 5 1 1 A 50 50 ALA CB C 50 20.935 22.001 -1.066 1
1 633 . 5 1 1 A 50 50 ALA C C 50 177.299 176.558 0.741 1
1 634 . 5 1 1 A 51 51 ASN N N 51 121.555 123.279 -1.724 1
1 635 . 5 1 1 A 51 51 ASN H H 51 9.491 9.371 0.120 1
1 636 . 5 1 1 A 51 51 ASN CA C 51 54.177 54.421 -0.244 1
1 637 . 5 1 1 A 51 51 ASN HA H 51 4.389 4.445 -0.056 1
1 638 . 5 1 1 A 51 51 ASN CB C 51 37.413 37.207 0.206 1
1 641 . 5 1 1 A 51 51 ASN C C 51 175.106 175.387 -0.281 1
1 642 . 5 1 1 A 52 52 GLY N N 52 103.942 104.846 -0.904 1
1 643 . 5 1 1 A 52 52 GLY H H 52 8.681 8.458 0.223 1
1 644 . 5 1 1 A 52 52 GLY CA C 52 45.443 45.315 0.128 1
1 645 . 5 1 1 A 52 52 GLY HA2 H 52 3.624 3.885 -0.261 1
1 646 . 5 1 1 A 52 52 GLY HA3 H 52 4.143 3.886 0.257 1
1 647 . 5 1 1 A 52 52 GLY C C 52 173.666 173.799 -0.133 1
1 648 . 5 1 1 A 53 53 LYS N N 53 121.213 120.568 0.645 1
1 649 . 5 1 1 A 53 53 LYS H H 53 7.893 7.998 -0.105 1
1 650 . 5 1 1 A 53 53 LYS CA C 53 54.807 55.616 -0.809 1
1 651 . 5 1 1 A 53 53 LYS HA H 53 4.727 4.478 0.249 1
1 652 . 5 1 1 A 53 53 LYS CB C 53 34.737 33.190 1.547 1
1 664 . 5 1 1 A 53 53 LYS C C 53 175.239 176.134 -0.895 1
1 665 . 5 1 1 A 54 54 THR N N 54 118.501 115.383 3.118 1
1 666 . 5 1 1 A 54 54 THR H H 54 8.498 8.633 -0.135 1
1 667 . 5 1 1 A 54 54 THR CA C 54 61.925 60.932 0.993 1
1 668 . 5 1 1 A 54 54 THR HA H 54 5.117 5.458 -0.341 1
1 669 . 5 1 1 A 54 54 THR CB C 54 70.294 70.362 -0.068 1
1 675 . 5 1 1 A 54 54 THR C C 54 173.733 173.973 -0.240 1
1 676 . 5 1 1 A 55 55 TYR N N 55 125.105 119.205 5.900 1
1 677 . 5 1 1 A 55 55 TYR H H 55 9.122 9.160 -0.038 1
1 678 . 5 1 1 A 55 55 TYR CA C 55 56.149 55.286 0.863 1
1 679 . 5 1 1 A 55 55 TYR HA H 55 4.857 5.425 -0.568 1
1 680 . 5 1 1 A 55 55 TYR CB C 55 40.090 41.891 -1.801 1
1 691 . 5 1 1 A 55 55 TYR C C 55 172.847 172.500 0.347 1
1 692 . 5 1 1 A 56 56 GLU N N 56 119.744 120.534 -0.790 1
1 693 . 5 1 1 A 56 56 GLU H H 56 8.503 8.862 -0.359 1
1 694 . 5 1 1 A 56 56 GLU CA C 56 54.739 55.474 -0.735 1
1 695 . 5 1 1 A 56 56 GLU HA H 56 5.030 5.088 -0.058 1
1 696 . 5 1 1 A 56 56 GLU CB C 56 30.297 32.152 -1.855 1
1 701 . 5 1 1 A 56 56 GLU C C 56 175.394 176.139 -0.745 1
1 702 . 5 1 1 A 57 57 ARG N N 57 123.665 120.613 3.052 1
1 703 . 5 1 1 A 57 57 ARG H H 57 8.897 9.192 -0.295 1
1 704 . 5 1 1 A 57 57 ARG CA C 57 54.944 54.341 0.603 1
1 705 . 5 1 1 A 57 57 ARG HA H 57 4.663 5.057 -0.394 1
1 706 . 5 1 1 A 57 57 ARG CB C 57 33.471 33.875 -0.404 1
1 713 . 5 1 1 A 57 57 ARG C C 57 174.198 174.634 -0.436 1
1 714 . 5 1 1 A 58 58 GLN N N 58 119.967 121.443 -1.476 1
1 715 . 5 1 1 A 58 58 GLN H H 58 8.604 8.475 0.129 1
1 716 . 5 1 1 A 58 58 GLN CA C 58 53.394 54.696 -1.302 1
1 717 . 5 1 1 A 58 58 GLN HA H 58 5.602 5.025 0.577 1
1 718 . 5 1 1 A 58 58 GLN CB C 58 31.229 31.124 0.105 1
1 724 . 5 1 1 A 58 58 GLN C C 58 175.771 175.794 -0.023 1
1 725 . 5 1 1 A 59 59 GLY N N 59 107.507 108.345 -0.838 1
1 726 . 5 1 1 A 59 59 GLY H H 59 8.652 8.411 0.241 1
1 727 . 5 1 1 A 59 59 GLY CA C 59 45.583 45.902 -0.319 1
1 728 . 5 1 1 A 59 59 GLY HA2 H 59 3.947 4.215 -0.268 1
1 729 . 5 1 1 A 59 59 GLY HA3 H 59 3.947 4.321 -0.374 1
1 730 . 5 1 1 A 59 59 GLY C C 59 170.255 171.405 -1.150 1
1 731 . 5 1 1 A 60 60 PHE N N 60 119.079 119.177 -0.098 1
1 732 . 5 1 1 A 60 60 PHE H H 60 9.153 8.636 0.517 1
1 733 . 5 1 1 A 60 60 PHE CA C 60 58.544 56.871 1.673 1
1 734 . 5 1 1 A 60 60 PHE HA H 60 5.666 5.601 0.065 1
1 735 . 5 1 1 A 60 60 PHE CB C 60 42.484 42.267 0.217 1
1 748 . 5 1 1 A 60 60 PHE C C 60 175.461 175.363 0.098 1
1 749 . 5 1 1 A 61 61 VAL N N 61 110.995 116.527 -5.532 1
1 750 . 5 1 1 A 61 61 VAL H H 61 9.065 9.049 0.016 1
1 751 . 5 1 1 A 61 61 VAL CA C 61 58.189 58.229 -0.040 1
1 752 . 5 1 1 A 61 61 VAL HA H 61 4.823 4.786 0.037 1
1 753 . 5 1 1 A 61 61 VAL CB C 61 33.521 34.730 -1.209 1
1 764 . 5 1 1 A 62 62 PRO CA C 62 61.852 61.956 -0.104 1
1 765 . 5 1 1 A 62 62 PRO HA H 62 3.556 3.810 -0.254 1
1 766 . 5 1 1 A 62 62 PRO CB C 62 29.777 30.805 -1.028 1
1 774 . 5 1 1 A 62 62 PRO C C 62 177.787 177.340 0.447 1
1 775 . 5 1 1 A 63 63 ALA N N 63 129.142 127.707 1.435 1
1 776 . 5 1 1 A 63 63 ALA H H 63 7.477 8.081 -0.604 1
1 777 . 5 1 1 A 63 63 ALA CA C 63 54.472 53.517 0.955 1
1 778 . 5 1 1 A 63 63 ALA HA H 63 2.652 3.076 -0.424 1
1 782 . 5 1 1 A 63 63 ALA CB C 63 15.666 17.073 -1.407 1
1 783 . 5 1 1 A 63 63 ALA C C 63 178.429 178.418 0.011 1
1 784 . 5 1 1 A 64 64 ALA N N 64 113.522 119.197 -5.675 1
1 785 . 5 1 1 A 64 64 ALA H H 64 7.867 7.104 0.763 1
1 786 . 5 1 1 A 64 64 ALA CA C 64 52.768 54.085 -1.317 1
1 787 . 5 1 1 A 64 64 ALA HA H 64 4.006 3.897 0.109 1
1 791 . 5 1 1 A 64 64 ALA CB C 64 17.629 17.886 -0.257 1
1 792 . 5 1 1 A 64 64 ALA C C 64 178.097 178.102 -0.005 1
1 793 . 5 1 1 A 65 65 TYR N N 65 116.109 116.344 -0.235 1
1 794 . 5 1 1 A 65 65 TYR H H 65 7.698 7.597 0.101 1
1 795 . 5 1 1 A 65 65 TYR CA C 65 56.328 58.936 -2.608 1
1 796 . 5 1 1 A 65 65 TYR HA H 65 4.758 4.808 -0.050 1
1 797 . 5 1 1 A 65 65 TYR CB C 65 37.765 40.145 -2.380 1
1 808 . 5 1 1 A 65 65 TYR C C 65 174.375 175.776 -1.401 1
1 809 . 5 1 1 A 66 66 VAL N N 66 111.053 114.723 -3.670 1
1 810 . 5 1 1 A 66 66 VAL H H 66 7.415 7.167 0.248 1
1 811 . 5 1 1 A 66 66 VAL CA C 66 58.119 59.225 -1.106 1
1 812 . 5 1 1 A 66 66 VAL HA H 66 5.538 5.194 0.344 1
1 813 . 5 1 1 A 66 66 VAL CB C 66 35.809 34.588 1.221 1
1 823 . 5 1 1 A 66 66 VAL C C 66 173.511 174.243 -0.732 1
1 824 . 5 1 1 A 67 67 LYS N N 67 118.588 122.293 -3.705 1
1 825 . 5 1 1 A 67 67 LYS H H 67 8.631 8.700 -0.069 1
1 826 . 5 1 1 A 67 67 LYS CA C 67 54.035 55.067 -1.032 1
1 827 . 5 1 1 A 67 67 LYS HA H 67 4.830 5.160 -0.330 1
1 828 . 5 1 1 A 67 67 LYS CB C 67 36.779 36.738 0.041 1
1 838 . 5 1 1 A 67 67 LYS C C 67 175.992 174.928 1.064 1
1 839 . 5 1 1 A 68 68 LYS N N 68 125.838 121.664 4.174 1
1 840 . 5 1 1 A 68 68 LYS H H 68 9.227 8.556 0.671 1
1 841 . 5 1 1 A 68 68 LYS CA C 68 58.335 56.618 1.717 1
1 842 . 5 1 1 A 68 68 LYS HA H 68 4.494 4.283 0.211 1
1 843 . 5 1 1 A 68 68 LYS CB C 68 32.893 32.848 0.045 1
1 853 . 5 1 1 A 68 68 LYS C C 68 176.657 177.447 -0.790 1
1 854 . 5 1 1 A 69 69 LEU N N 69 125.443 122.109 3.334 1
1 855 . 5 1 1 A 69 69 LEU H H 69 8.449 8.754 -0.305 1
1 856 . 5 1 1 A 69 69 LEU CA C 69 54.873 56.070 -1.197 1
1 857 . 5 1 1 A 69 69 LEU HA H 69 4.437 4.258 0.179 1
1 858 . 5 1 1 A 69 69 LEU CB C 69 42.345 41.742 0.603 1
1 871 . 5 1 1 A 69 69 LEU C C 69 176.147 177.232 -1.085 1
1 10 . 6 1 1 A 2 2 ASP N N 2 123.485 119.945 3.540 1
1 11 . 6 1 1 A 2 2 ASP H H 2 8.809 8.298 0.511 1
1 12 . 6 1 1 A 2 2 ASP CA C 2 54.244 53.964 0.280 1
1 13 . 6 1 1 A 2 2 ASP HA H 2 4.673 4.929 -0.256 1
1 14 . 6 1 1 A 2 2 ASP CB C 2 40.452 41.421 -0.969 1
1 17 . 6 1 1 A 2 2 ASP C C 2 175.771 176.719 -0.948 1
1 18 . 6 1 1 A 3 3 GLU N N 3 121.725 118.047 3.678 1
1 19 . 6 1 1 A 3 3 GLU H H 3 8.684 8.242 0.442 1
1 20 . 6 1 1 A 3 3 GLU CA C 3 56.162 56.245 -0.083 1
1 21 . 6 1 1 A 3 3 GLU HA H 3 4.392 4.314 0.078 1
1 22 . 6 1 1 A 3 3 GLU CB C 3 29.170 29.353 -0.183 1
1 28 . 6 1 1 A 3 3 GLU C C 3 176.546 175.268 1.278 1
1 29 . 6 1 1 A 4 4 THR N N 4 114.384 110.115 4.269 1
1 30 . 6 1 1 A 4 4 THR H H 4 8.303 7.523 0.780 1
1 31 . 6 1 1 A 4 4 THR CA C 4 62.347 60.553 1.794 1
1 32 . 6 1 1 A 4 4 THR HA H 4 4.278 4.888 -0.610 1
1 33 . 6 1 1 A 4 4 THR CB C 4 69.672 70.969 -1.297 1
1 39 . 6 1 1 A 4 4 THR C C 4 175.306 173.380 1.926 1
1 40 . 6 1 1 A 5 5 GLY N N 5 111.296 109.577 1.719 1
1 41 . 6 1 1 A 5 5 GLY H H 5 8.422 8.306 0.116 1
1 42 . 6 1 1 A 5 5 GLY CA C 5 45.302 45.531 -0.229 1
1 43 . 6 1 1 A 5 5 GLY HA2 H 5 3.928 3.975 -0.047 1
1 44 . 6 1 1 A 5 5 GLY HA3 H 5 3.928 3.975 -0.047 1
1 45 . 6 1 1 A 5 5 GLY C C 5 173.689 175.406 -1.717 1
1 46 . 6 1 1 A 6 6 LYS N N 6 119.850 119.606 0.244 1
1 47 . 6 1 1 A 6 6 LYS H H 6 8.008 8.273 -0.265 1
1 48 . 6 1 1 A 6 6 LYS CA C 6 55.401 58.460 -3.059 1
1 49 . 6 1 1 A 6 6 LYS HA H 6 4.381 4.113 0.268 1
1 50 . 6 1 1 A 6 6 LYS CB C 6 33.225 32.245 0.980 1
1 62 . 6 1 1 A 6 6 LYS C C 6 175.948 176.275 -0.327 1
1 63 . 6 1 1 A 7 7 GLU N N 7 122.488 118.923 3.565 1
1 64 . 6 1 1 A 7 7 GLU H H 7 8.577 7.784 0.793 1
1 65 . 6 1 1 A 7 7 GLU CA C 7 55.690 56.258 -0.568 1
1 66 . 6 1 1 A 7 7 GLU HA H 7 4.495 4.597 -0.102 1
1 67 . 6 1 1 A 7 7 GLU CB C 7 30.382 33.229 -2.847 1
1 73 . 6 1 1 A 7 7 GLU C C 7 174.109 174.296 -0.187 1
1 74 . 6 1 1 A 8 8 LEU N N 8 123.063 126.630 -3.567 1
1 75 . 6 1 1 A 8 8 LEU H H 8 8.485 8.869 -0.384 1
1 76 . 6 1 1 A 8 8 LEU CA C 8 53.331 53.583 -0.252 1
1 77 . 6 1 1 A 8 8 LEU HA H 8 5.381 5.165 0.216 1
1 78 . 6 1 1 A 8 8 LEU CB C 8 45.077 46.571 -1.494 1
1 91 . 6 1 1 A 8 8 LEU C C 8 177.344 175.533 1.811 1
1 92 . 6 1 1 A 9 9 VAL N N 9 111.683 116.774 -5.091 1
1 93 . 6 1 1 A 9 9 VAL H H 9 9.111 9.177 -0.066 1
1 94 . 6 1 1 A 9 9 VAL CA C 9 57.854 59.156 -1.302 1
1 95 . 6 1 1 A 9 9 VAL HA H 9 5.214 4.880 0.334 1
1 96 . 6 1 1 A 9 9 VAL CB C 9 35.864 35.653 0.211 1
1 106 . 6 1 1 A 9 9 VAL C C 9 172.404 174.123 -1.719 1
1 107 . 6 1 1 A 10 10 LEU N N 10 123.366 126.658 -3.292 1
1 108 . 6 1 1 A 10 10 LEU H H 10 8.971 9.061 -0.090 1
1 109 . 6 1 1 A 10 10 LEU CA C 10 52.445 53.809 -1.364 1
1 110 . 6 1 1 A 10 10 LEU HA H 10 5.100 4.876 0.224 1
1 111 . 6 1 1 A 10 10 LEU CB C 10 46.711 44.449 2.262 1
1 124 . 6 1 1 A 10 10 LEU C C 10 176.568 175.507 1.061 1
1 125 . 6 1 1 A 11 11 ALA N N 11 127.241 129.028 -1.787 1
1 126 . 6 1 1 A 11 11 ALA H H 11 9.160 9.118 0.042 1
1 127 . 6 1 1 A 11 11 ALA CA C 11 52.416 51.471 0.945 1
1 128 . 6 1 1 A 11 11 ALA HA H 11 4.610 4.491 0.119 1
1 132 . 6 1 1 A 11 11 ALA CB C 11 19.051 18.650 0.401 1
1 133 . 6 1 1 A 11 11 ALA C C 11 178.252 177.846 0.406 1
1 134 . 6 1 1 A 12 12 LEU N N 12 127.842 126.267 1.575 1
1 135 . 6 1 1 A 12 12 LEU H H 12 9.257 8.823 0.434 1
1 136 . 6 1 1 A 12 12 LEU CA C 12 55.585 57.124 -1.539 1
1 137 . 6 1 1 A 12 12 LEU HA H 12 3.884 4.011 -0.127 1
1 138 . 6 1 1 A 12 12 LEU CB C 12 43.192 42.178 1.014 1
1 151 . 6 1 1 A 12 12 LEU C C 12 174.951 176.742 -1.791 1
1 152 . 6 1 1 A 13 13 TYR N N 13 111.673 115.232 -3.559 1
1 153 . 6 1 1 A 13 13 TYR H H 13 7.129 7.948 -0.819 1
1 154 . 6 1 1 A 13 13 TYR CA C 13 54.530 56.335 -1.805 1
1 155 . 6 1 1 A 13 13 TYR HA H 13 4.617 5.032 -0.415 1
1 156 . 6 1 1 A 13 13 TYR CB C 13 42.982 41.173 1.809 1
1 167 . 6 1 1 A 13 13 TYR C C 13 173.600 175.755 -2.155 1
1 168 . 6 1 1 A 14 14 ASP N N 14 117.888 123.402 -5.514 1
1 169 . 6 1 1 A 14 14 ASP H H 14 8.328 8.646 -0.318 1
1 170 . 6 1 1 A 14 14 ASP CA C 14 54.527 54.576 -0.049 1
1 171 . 6 1 1 A 14 14 ASP HA H 14 4.615 4.619 -0.004 1
1 172 . 6 1 1 A 14 14 ASP CB C 14 41.351 41.413 -0.062 1
1 175 . 6 1 1 A 14 14 ASP C C 14 176.125 175.353 0.772 1
1 176 . 6 1 1 A 15 15 TYR N N 15 120.102 121.918 -1.816 1
1 177 . 6 1 1 A 15 15 TYR H H 15 8.733 8.795 -0.062 1
1 178 . 6 1 1 A 15 15 TYR CA C 15 59.669 57.349 2.320 1
1 179 . 6 1 1 A 15 15 TYR HA H 15 4.662 5.240 -0.578 1
1 180 . 6 1 1 A 15 15 TYR CB C 15 43.400 42.309 1.091 1
1 191 . 6 1 1 A 15 15 TYR C C 15 172.803 173.373 -0.570 1
1 192 . 6 1 1 A 16 16 GLN N N 16 126.945 123.502 3.443 1
1 193 . 6 1 1 A 16 16 GLN H H 16 7.546 8.057 -0.511 1
1 194 . 6 1 1 A 16 16 GLN CA C 16 53.820 55.044 -1.224 1
1 195 . 6 1 1 A 16 16 GLN HA H 16 4.500 4.860 -0.360 1
1 196 . 6 1 1 A 16 16 GLN CB C 16 29.378 30.328 -0.950 1
1 202 . 6 1 1 A 16 16 GLN C C 16 173.910 174.992 -1.082 1
1 203 . 6 1 1 A 17 17 GLU N N 17 123.035 124.613 -1.578 1
1 204 . 6 1 1 A 17 17 GLU H H 17 7.930 8.894 -0.964 1
1 205 . 6 1 1 A 17 17 GLU CA C 17 56.078 56.842 -0.764 1
1 206 . 6 1 1 A 17 17 GLU HA H 17 4.211 4.297 -0.086 1
1 207 . 6 1 1 A 17 17 GLU CB C 17 29.520 30.369 -0.849 1
1 213 . 6 1 1 A 17 17 GLU C C 17 175.926 176.878 -0.952 1
1 214 . 6 1 1 A 18 18 LYS N N 18 120.770 119.651 1.119 1
1 215 . 6 1 1 A 18 18 LYS H H 18 8.801 8.772 0.029 1
1 216 . 6 1 1 A 18 18 LYS CA C 18 55.164 56.597 -1.433 1
1 217 . 6 1 1 A 18 18 LYS HA H 18 4.424 4.609 -0.185 1
1 218 . 6 1 1 A 18 18 LYS CB C 18 33.328 34.667 -1.339 1
1 230 . 6 1 1 A 18 18 LYS C C 18 176.192 176.233 -0.041 1
1 231 . 6 1 1 A 19 19 SER N N 19 114.841 115.231 -0.390 1
1 232 . 6 1 1 A 19 19 SER H H 19 7.619 7.977 -0.358 1
1 233 . 6 1 1 A 19 19 SER CA C 19 56.678 55.746 0.932 1
1 234 . 6 1 1 A 19 19 SER HA H 19 4.863 4.888 -0.025 1
1 235 . 6 1 1 A 19 19 SER CB C 19 64.060 64.642 -0.582 1
1 239 . 6 1 1 A 20 20 PRO CA C 20 64.803 64.484 0.319 1
1 240 . 6 1 1 A 20 20 PRO HA H 20 4.549 4.516 0.033 1
1 241 . 6 1 1 A 20 20 PRO CB C 20 31.894 31.899 -0.005 1
1 249 . 6 1 1 A 20 20 PRO C C 20 176.679 177.504 -0.825 1
1 250 . 6 1 1 A 21 21 ARG N N 21 113.864 117.559 -3.695 1
1 251 . 6 1 1 A 21 21 ARG H H 21 7.687 8.038 -0.351 1
1 252 . 6 1 1 A 21 21 ARG CA C 21 56.119 56.062 0.057 1
1 253 . 6 1 1 A 21 21 ARG HA H 21 4.598 4.636 -0.038 1
1 254 . 6 1 1 A 21 21 ARG CB C 21 30.299 30.821 -0.522 1
1 263 . 6 1 1 A 21 21 ARG C C 21 176.369 175.599 0.770 1
1 264 . 6 1 1 A 22 22 GLU N N 22 121.539 120.097 1.442 1
1 265 . 6 1 1 A 22 22 GLU H H 22 7.842 7.326 0.516 1
1 266 . 6 1 1 A 22 22 GLU CA C 22 54.951 55.316 -0.365 1
1 267 . 6 1 1 A 22 22 GLU HA H 22 5.484 4.974 0.510 1
1 268 . 6 1 1 A 22 22 GLU CB C 22 33.535 33.446 0.089 1
1 274 . 6 1 1 A 22 22 GLU C C 22 174.375 174.826 -0.451 1
1 275 . 6 1 1 A 23 23 VAL N N 23 111.923 118.448 -6.525 1
1 276 . 6 1 1 A 23 23 VAL H H 23 7.373 8.778 -1.405 1
1 277 . 6 1 1 A 23 23 VAL CA C 23 59.570 59.916 -0.346 1
1 278 . 6 1 1 A 23 23 VAL HA H 23 4.531 5.164 -0.633 1
1 279 . 6 1 1 A 23 23 VAL CB C 23 34.667 35.826 -1.159 1
1 289 . 6 1 1 A 23 23 VAL C C 23 172.625 173.771 -1.146 1
1 290 . 6 1 1 A 24 24 THR N N 24 117.656 115.553 2.103 1
1 291 . 6 1 1 A 24 24 THR H H 24 7.112 8.816 -1.704 1
1 292 . 6 1 1 A 24 24 THR CA C 24 61.994 60.485 1.509 1
1 293 . 6 1 1 A 24 24 THR HA H 24 5.119 5.171 -0.052 1
1 294 . 6 1 1 A 24 24 THR CB C 24 71.220 70.932 0.288 1
1 300 . 6 1 1 A 24 24 THR C C 24 174.309 171.925 2.384 1
1 301 . 6 1 1 A 25 25 MET N N 25 122.056 123.068 -1.012 1
1 302 . 6 1 1 A 25 25 MET H H 25 9.515 8.981 0.534 1
1 303 . 6 1 1 A 25 25 MET CA C 25 54.247 54.429 -0.182 1
1 304 . 6 1 1 A 25 25 MET HA H 25 4.935 5.139 -0.204 1
1 305 . 6 1 1 A 25 25 MET CB C 25 36.287 37.889 -1.602 1
1 312 . 6 1 1 A 25 25 MET C C 25 173.777 174.702 -0.925 1
1 313 . 6 1 1 A 26 26 LYS N N 26 124.668 122.256 2.412 1
1 314 . 6 1 1 A 26 26 LYS H H 26 8.949 8.894 0.055 1
1 315 . 6 1 1 A 26 26 LYS CA C 26 53.476 54.244 -0.768 1
1 316 . 6 1 1 A 26 26 LYS HA H 26 4.896 5.064 -0.168 1
1 317 . 6 1 1 A 26 26 LYS CB C 26 34.097 36.208 -2.111 1
1 327 . 6 1 1 A 26 26 LYS C C 26 174.929 175.754 -0.825 1
1 328 . 6 1 1 A 27 27 LYS N N 27 122.567 122.345 0.222 1
1 329 . 6 1 1 A 27 27 LYS H H 27 9.061 8.337 0.724 1
1 330 . 6 1 1 A 27 27 LYS CA C 27 58.539 57.094 1.445 1
1 331 . 6 1 1 A 27 27 LYS HA H 27 4.656 4.094 0.562 1
1 332 . 6 1 1 A 27 27 LYS CB C 27 32.202 31.764 0.438 1
1 344 . 6 1 1 A 27 27 LYS C C 27 177.344 177.048 0.296 1
1 345 . 6 1 1 A 28 28 GLY N N 28 115.884 113.024 2.860 1
1 346 . 6 1 1 A 28 28 GLY H H 28 8.900 8.993 -0.093 1
1 347 . 6 1 1 A 28 28 GLY CA C 28 44.779 45.589 -0.810 1
1 348 . 6 1 1 A 28 28 GLY HA2 H 28 3.523 3.913 -0.390 1
1 349 . 6 1 1 A 28 28 GLY HA3 H 28 4.469 3.919 0.550 1
1 350 . 6 1 1 A 28 28 GLY C C 28 174.021 173.716 0.305 1
1 351 . 6 1 1 A 29 29 ASP N N 29 122.466 120.257 2.209 1
1 352 . 6 1 1 A 29 29 ASP H H 29 8.513 7.998 0.515 1
1 353 . 6 1 1 A 29 29 ASP CA C 29 55.711 53.057 2.654 1
1 354 . 6 1 1 A 29 29 ASP HA H 29 4.523 4.976 -0.453 1
1 355 . 6 1 1 A 29 29 ASP CB C 29 41.361 43.188 -1.827 1
1 358 . 6 1 1 A 29 29 ASP C C 29 174.331 175.033 -0.702 1
1 359 . 6 1 1 A 30 30 ILE N N 30 120.470 120.964 -0.494 1
1 360 . 6 1 1 A 30 30 ILE H H 30 8.204 8.455 -0.251 1
1 361 . 6 1 1 A 30 30 ILE CA C 30 60.164 60.413 -0.249 1
1 362 . 6 1 1 A 30 30 ILE HA H 30 5.025 5.311 -0.286 1
1 363 . 6 1 1 A 30 30 ILE CB C 30 38.257 41.842 -3.585 1
1 372 . 6 1 1 A 30 30 ILE C C 30 176.236 174.847 1.389 1
1 373 . 6 1 1 A 31 31 LEU N N 31 128.265 126.639 1.626 1
1 374 . 6 1 1 A 31 31 LEU H H 31 9.353 8.953 0.400 1
1 375 . 6 1 1 A 31 31 LEU CA C 31 53.601 53.675 -0.074 1
1 376 . 6 1 1 A 31 31 LEU HA H 31 4.998 5.140 -0.142 1
1 377 . 6 1 1 A 31 31 LEU CB C 31 43.893 45.332 -1.439 1
1 388 . 6 1 1 A 31 31 LEU C C 31 175.638 176.093 -0.455 1
1 389 . 6 1 1 A 32 32 THR N N 32 117.089 119.922 -2.833 1
1 390 . 6 1 1 A 32 32 THR H H 32 8.141 8.721 -0.580 1
1 391 . 6 1 1 A 32 32 THR CA C 32 63.263 63.234 0.029 1
1 392 . 6 1 1 A 32 32 THR HA H 32 4.619 4.514 0.105 1
1 393 . 6 1 1 A 32 32 THR CB C 32 69.867 69.110 0.757 1
1 399 . 6 1 1 A 32 32 THR C C 32 173.600 174.130 -0.530 1
1 400 . 6 1 1 A 33 33 LEU N N 33 129.212 128.586 0.626 1
1 401 . 6 1 1 A 33 33 LEU H H 33 9.070 8.668 0.402 1
1 402 . 6 1 1 A 33 33 LEU CA C 33 54.671 55.248 -0.577 1
1 403 . 6 1 1 A 33 33 LEU HA H 33 4.356 4.481 -0.125 1
1 404 . 6 1 1 A 33 33 LEU CB C 33 42.968 42.081 0.887 1
1 417 . 6 1 1 A 33 33 LEU C C 33 174.553 175.684 -1.131 1
1 418 . 6 1 1 A 34 34 LEU N N 34 125.880 128.635 -2.755 1
1 419 . 6 1 1 A 34 34 LEU H H 34 9.051 9.302 -0.251 1
1 420 . 6 1 1 A 34 34 LEU CA C 34 54.811 56.018 -1.207 1
1 421 . 6 1 1 A 34 34 LEU HA H 34 4.532 4.408 0.124 1
1 422 . 6 1 1 A 34 34 LEU CB C 34 42.977 42.603 0.374 1
1 434 . 6 1 1 A 34 34 LEU C C 34 177.477 176.749 0.728 1
1 435 . 6 1 1 A 35 35 ASN N N 35 113.971 115.213 -1.242 1
1 436 . 6 1 1 A 35 35 ASN H H 35 7.600 7.762 -0.162 1
1 437 . 6 1 1 A 35 35 ASN CA C 35 54.543 53.131 1.412 1
1 438 . 6 1 1 A 35 35 ASN HA H 35 4.680 4.997 -0.317 1
1 439 . 6 1 1 A 35 35 ASN CB C 35 40.958 42.297 -1.339 1
1 443 . 6 1 1 A 35 35 ASN C C 35 174.375 174.116 0.259 1
1 444 . 6 1 1 A 36 36 SER N N 36 123.815 116.079 7.736 1
1 445 . 6 1 1 A 36 36 SER H H 36 9.194 8.434 0.760 1
1 446 . 6 1 1 A 36 36 SER CA C 36 56.692 56.516 0.176 1
1 447 . 6 1 1 A 36 36 SER HA H 36 3.921 4.843 -0.922 1
1 448 . 6 1 1 A 36 36 SER CB C 36 62.180 62.483 -0.303 1
1 451 . 6 1 1 A 36 36 SER C C 36 173.401 175.586 -2.185 1
1 452 . 6 1 1 A 37 37 THR N N 37 115.041 115.947 -0.906 1
1 453 . 6 1 1 A 37 37 THR H H 37 8.178 8.246 -0.068 1
1 454 . 6 1 1 A 37 37 THR CA C 37 65.484 66.171 -0.687 1
1 455 . 6 1 1 A 37 37 THR HA H 37 4.528 4.051 0.477 1
1 456 . 6 1 1 A 37 37 THR CB C 37 69.416 68.375 1.041 1
1 462 . 6 1 1 A 37 37 THR C C 37 175.261 174.958 0.303 1
1 463 . 6 1 1 A 38 38 ASN N N 38 122.494 120.350 2.144 1
1 464 . 6 1 1 A 38 38 ASN H H 38 8.674 8.038 0.636 1
1 465 . 6 1 1 A 38 38 ASN CA C 38 53.188 52.315 0.873 1
1 466 . 6 1 1 A 38 38 ASN HA H 38 4.863 4.968 -0.105 1
1 467 . 6 1 1 A 38 38 ASN CB C 38 40.525 40.569 -0.044 1
1 470 . 6 1 1 A 38 38 ASN C C 38 174.575 174.919 -0.344 1
1 471 . 6 1 1 A 39 39 LYS N N 39 120.915 122.384 -1.469 1
1 472 . 6 1 1 A 39 39 LYS H H 39 8.510 8.849 -0.339 1
1 473 . 6 1 1 A 39 39 LYS CA C 39 58.333 56.599 1.734 1
1 474 . 6 1 1 A 39 39 LYS HA H 39 4.247 4.854 -0.607 1
1 475 . 6 1 1 A 39 39 LYS CB C 39 32.520 33.453 -0.933 1
1 485 . 6 1 1 A 39 39 LYS C C 39 176.236 177.650 -1.414 1
1 486 . 6 1 1 A 40 40 ASP N N 40 114.628 117.462 -2.834 1
1 487 . 6 1 1 A 40 40 ASP H H 40 8.173 7.704 0.469 1
1 488 . 6 1 1 A 40 40 ASP CA C 40 55.380 56.137 -0.757 1
1 489 . 6 1 1 A 40 40 ASP HA H 40 4.544 4.267 0.277 1
1 490 . 6 1 1 A 40 40 ASP CB C 40 43.415 42.031 1.384 1
1 493 . 6 1 1 A 40 40 ASP C C 40 176.967 175.775 1.192 1
1 494 . 6 1 1 A 41 41 TRP N N 41 122.703 115.348 7.355 1
1 495 . 6 1 1 A 41 41 TRP H H 41 8.209 7.595 0.614 1
1 496 . 6 1 1 A 41 41 TRP CA C 41 56.184 55.966 0.218 1
1 497 . 6 1 1 A 41 41 TRP HA H 41 5.075 5.460 -0.385 1
1 498 . 6 1 1 A 41 41 TRP CB C 41 32.019 33.305 -1.286 1
1 513 . 6 1 1 A 41 41 TRP C C 41 174.176 175.474 -1.298 1
1 514 . 6 1 1 A 42 42 TRP N N 42 124.895 123.203 1.692 1
1 515 . 6 1 1 A 42 42 TRP H H 42 9.366 9.257 0.109 1
1 516 . 6 1 1 A 42 42 TRP CA C 42 54.076 55.567 -1.491 1
1 517 . 6 1 1 A 42 42 TRP HA H 42 5.523 5.428 0.095 1
1 518 . 6 1 1 A 42 42 TRP CB C 42 31.447 32.399 -0.952 1
1 533 . 6 1 1 A 42 42 TRP C C 42 174.109 175.450 -1.341 1
1 534 . 6 1 1 A 43 43 LYS N N 43 124.120 124.625 -0.505 1
1 535 . 6 1 1 A 43 43 LYS H H 43 8.883 9.306 -0.423 1
1 536 . 6 1 1 A 43 43 LYS CA C 43 55.158 55.752 -0.594 1
1 537 . 6 1 1 A 43 43 LYS HA H 43 4.368 4.988 -0.620 1
1 538 . 6 1 1 A 43 43 LYS CB C 43 33.794 33.683 0.111 1
1 550 . 6 1 1 A 43 43 LYS C C 43 175.416 176.126 -0.710 1
1 551 . 6 1 1 A 44 44 VAL N N 44 122.055 120.623 1.432 1
1 552 . 6 1 1 A 44 44 VAL H H 44 9.427 9.013 0.414 1
1 553 . 6 1 1 A 44 44 VAL CA C 44 58.825 58.779 0.046 1
1 554 . 6 1 1 A 44 44 VAL HA H 44 5.375 5.211 0.164 1
1 555 . 6 1 1 A 44 44 VAL CB C 44 36.593 35.350 1.243 1
1 565 . 6 1 1 A 44 44 VAL C C 44 173.223 173.394 -0.171 1
1 566 . 6 1 1 A 45 45 GLU N N 45 118.673 122.427 -3.754 1
1 567 . 6 1 1 A 45 45 GLU H H 45 8.733 8.965 -0.232 1
1 568 . 6 1 1 A 45 45 GLU CA C 45 54.249 54.742 -0.493 1
1 569 . 6 1 1 A 45 45 GLU HA H 45 5.432 5.161 0.271 1
1 570 . 6 1 1 A 45 45 GLU CB C 45 33.286 33.118 0.168 1
1 576 . 6 1 1 A 45 45 GLU C C 45 174.774 175.370 -0.596 1
1 577 . 6 1 1 A 46 46 VAL N N 46 123.551 126.775 -3.224 1
1 578 . 6 1 1 A 46 46 VAL H H 46 9.058 9.220 -0.162 1
1 579 . 6 1 1 A 46 46 VAL CA C 46 59.627 60.603 -0.976 1
1 580 . 6 1 1 A 46 46 VAL HA H 46 4.669 4.755 -0.086 1
1 581 . 6 1 1 A 46 46 VAL CB C 46 35.290 34.308 0.982 1
1 590 . 6 1 1 A 46 46 VAL C C 46 173.534 174.831 -1.297 1
1 591 . 6 1 1 A 47 47 LYS N N 47 124.992 124.737 0.255 1
1 592 . 6 1 1 A 47 47 LYS H H 47 8.446 8.416 0.030 1
1 593 . 6 1 1 A 47 47 LYS CA C 47 55.905 55.030 0.875 1
1 594 . 6 1 1 A 47 47 LYS HA H 47 4.763 4.978 -0.215 1
1 595 . 6 1 1 A 47 47 LYS CB C 47 33.450 34.828 -1.378 1
1 605 . 6 1 1 A 47 47 LYS C C 47 175.306 175.277 0.029 1
1 606 . 6 1 1 A 48 48 ALA N N 48 128.781 124.203 4.578 1
1 607 . 6 1 1 A 48 48 ALA H H 48 8.757 8.612 0.145 1
1 608 . 6 1 1 A 48 48 ALA CA C 48 50.828 50.589 0.239 1
1 609 . 6 1 1 A 48 48 ALA HA H 48 4.616 4.897 -0.281 1
1 613 . 6 1 1 A 48 48 ALA CB C 48 21.741 23.533 -1.792 1
1 614 . 6 1 1 A 48 48 ALA C C 48 175.173 175.049 0.124 1
1 615 . 6 1 1 A 49 49 THR N N 49 113.585 115.159 -1.574 1
1 616 . 6 1 1 A 49 49 THR H H 49 8.333 8.536 -0.203 1
1 617 . 6 1 1 A 49 49 THR CA C 49 60.826 61.496 -0.670 1
1 618 . 6 1 1 A 49 49 THR HA H 49 5.257 5.420 -0.163 1
1 619 . 6 1 1 A 49 49 THR CB C 49 71.045 71.213 -0.168 1
1 624 . 6 1 1 A 49 49 THR C C 49 174.176 173.363 0.813 1
1 625 . 6 1 1 A 50 50 ALA N N 50 127.142 127.863 -0.721 1
1 626 . 6 1 1 A 50 50 ALA H H 50 8.914 8.990 -0.076 1
1 627 . 6 1 1 A 50 50 ALA CA C 50 52.345 50.691 1.654 1
1 628 . 6 1 1 A 50 50 ALA HA H 50 4.603 4.883 -0.280 1
1 632 . 6 1 1 A 50 50 ALA CB C 50 20.935 23.122 -2.187 1
1 633 . 6 1 1 A 50 50 ALA C C 50 177.299 176.107 1.192 1
1 634 . 6 1 1 A 51 51 ASN N N 51 121.555 121.096 0.459 1
1 635 . 6 1 1 A 51 51 ASN H H 51 9.491 9.348 0.143 1
1 636 . 6 1 1 A 51 51 ASN CA C 51 54.177 54.437 -0.260 1
1 637 . 6 1 1 A 51 51 ASN HA H 51 4.389 4.434 -0.045 1
1 638 . 6 1 1 A 51 51 ASN CB C 51 37.413 37.275 0.138 1
1 641 . 6 1 1 A 51 51 ASN C C 51 175.106 175.605 -0.499 1
1 642 . 6 1 1 A 52 52 GLY N N 52 103.942 104.210 -0.268 1
1 643 . 6 1 1 A 52 52 GLY H H 52 8.681 8.706 -0.025 1
1 644 . 6 1 1 A 52 52 GLY CA C 52 45.443 45.850 -0.407 1
1 645 . 6 1 1 A 52 52 GLY HA2 H 52 3.624 3.888 -0.264 1
1 646 . 6 1 1 A 52 52 GLY HA3 H 52 4.143 3.893 0.250 1
1 647 . 6 1 1 A 52 52 GLY C C 52 173.666 173.780 -0.114 1
1 648 . 6 1 1 A 53 53 LYS N N 53 121.213 120.249 0.964 1
1 649 . 6 1 1 A 53 53 LYS H H 53 7.893 8.081 -0.188 1
1 650 . 6 1 1 A 53 53 LYS CA C 53 54.807 54.197 0.610 1
1 651 . 6 1 1 A 53 53 LYS HA H 53 4.727 4.844 -0.117 1
1 652 . 6 1 1 A 53 53 LYS CB C 53 34.737 35.494 -0.757 1
1 664 . 6 1 1 A 53 53 LYS C C 53 175.239 175.654 -0.415 1
1 665 . 6 1 1 A 54 54 THR N N 54 118.501 114.714 3.787 1
1 666 . 6 1 1 A 54 54 THR H H 54 8.498 8.753 -0.255 1
1 667 . 6 1 1 A 54 54 THR CA C 54 61.925 61.158 0.767 1
1 668 . 6 1 1 A 54 54 THR HA H 54 5.117 5.233 -0.116 1
1 669 . 6 1 1 A 54 54 THR CB C 54 70.294 70.244 0.050 1
1 675 . 6 1 1 A 54 54 THR C C 54 173.733 173.897 -0.164 1
1 676 . 6 1 1 A 55 55 TYR N N 55 125.105 119.584 5.521 1
1 677 . 6 1 1 A 55 55 TYR H H 55 9.122 9.216 -0.094 1
1 678 . 6 1 1 A 55 55 TYR CA C 55 56.149 55.196 0.953 1
1 679 . 6 1 1 A 55 55 TYR HA H 55 4.857 5.588 -0.731 1
1 680 . 6 1 1 A 55 55 TYR CB C 55 40.090 42.204 -2.114 1
1 691 . 6 1 1 A 55 55 TYR C C 55 172.847 172.791 0.056 1
1 692 . 6 1 1 A 56 56 GLU N N 56 119.744 120.501 -0.757 1
1 693 . 6 1 1 A 56 56 GLU H H 56 8.503 8.897 -0.394 1
1 694 . 6 1 1 A 56 56 GLU CA C 56 54.739 54.838 -0.099 1
1 695 . 6 1 1 A 56 56 GLU HA H 56 5.030 5.413 -0.383 1
1 696 . 6 1 1 A 56 56 GLU CB C 56 30.297 32.991 -2.694 1
1 701 . 6 1 1 A 56 56 GLU C C 56 175.394 175.856 -0.462 1
1 702 . 6 1 1 A 57 57 ARG N N 57 123.665 120.481 3.184 1
1 703 . 6 1 1 A 57 57 ARG H H 57 8.897 9.186 -0.289 1
1 704 . 6 1 1 A 57 57 ARG CA C 57 54.944 54.413 0.531 1
1 705 . 6 1 1 A 57 57 ARG HA H 57 4.663 5.063 -0.400 1
1 706 . 6 1 1 A 57 57 ARG CB C 57 33.471 33.705 -0.234 1
1 713 . 6 1 1 A 57 57 ARG C C 57 174.198 174.172 0.026 1
1 714 . 6 1 1 A 58 58 GLN N N 58 119.967 123.141 -3.174 1
1 715 . 6 1 1 A 58 58 GLN H H 58 8.604 8.596 0.008 1
1 716 . 6 1 1 A 58 58 GLN CA C 58 53.394 55.014 -1.620 1
1 717 . 6 1 1 A 58 58 GLN HA H 58 5.602 5.070 0.532 1
1 718 . 6 1 1 A 58 58 GLN CB C 58 31.229 30.052 1.177 1
1 724 . 6 1 1 A 58 58 GLN C C 58 175.771 175.701 0.070 1
1 725 . 6 1 1 A 59 59 GLY N N 59 107.507 108.945 -1.438 1
1 726 . 6 1 1 A 59 59 GLY H H 59 8.652 8.873 -0.221 1
1 727 . 6 1 1 A 59 59 GLY CA C 59 45.583 45.293 0.290 1
1 728 . 6 1 1 A 59 59 GLY HA2 H 59 3.947 4.112 -0.165 1
1 729 . 6 1 1 A 59 59 GLY HA3 H 59 3.947 4.293 -0.346 1
1 730 . 6 1 1 A 59 59 GLY C C 59 170.255 171.894 -1.639 1
1 731 . 6 1 1 A 60 60 PHE N N 60 119.079 119.217 -0.138 1
1 732 . 6 1 1 A 60 60 PHE H H 60 9.153 8.593 0.560 1
1 733 . 6 1 1 A 60 60 PHE CA C 60 58.544 56.724 1.820 1
1 734 . 6 1 1 A 60 60 PHE HA H 60 5.666 5.680 -0.014 1
1 735 . 6 1 1 A 60 60 PHE CB C 60 42.484 42.171 0.313 1
1 748 . 6 1 1 A 60 60 PHE C C 60 175.461 175.546 -0.085 1
1 749 . 6 1 1 A 61 61 VAL N N 61 110.995 116.707 -5.712 1
1 750 . 6 1 1 A 61 61 VAL H H 61 9.065 9.093 -0.028 1
1 751 . 6 1 1 A 61 61 VAL CA C 61 58.189 58.201 -0.012 1
1 752 . 6 1 1 A 61 61 VAL HA H 61 4.823 4.976 -0.153 1
1 753 . 6 1 1 A 61 61 VAL CB C 61 33.521 34.555 -1.034 1
1 764 . 6 1 1 A 62 62 PRO CA C 62 61.852 61.872 -0.020 1
1 765 . 6 1 1 A 62 62 PRO HA H 62 3.556 3.680 -0.124 1
1 766 . 6 1 1 A 62 62 PRO CB C 62 29.777 30.722 -0.945 1
1 774 . 6 1 1 A 62 62 PRO C C 62 177.787 177.300 0.487 1
1 775 . 6 1 1 A 63 63 ALA N N 63 129.142 127.704 1.438 1
1 776 . 6 1 1 A 63 63 ALA H H 63 7.477 8.243 -0.766 1
1 777 . 6 1 1 A 63 63 ALA CA C 63 54.472 53.493 0.979 1
1 778 . 6 1 1 A 63 63 ALA HA H 63 2.652 3.008 -0.356 1
1 782 . 6 1 1 A 63 63 ALA CB C 63 15.666 17.066 -1.400 1
1 783 . 6 1 1 A 63 63 ALA C C 63 178.429 178.490 -0.061 1
1 784 . 6 1 1 A 64 64 ALA N N 64 113.522 119.200 -5.678 1
1 785 . 6 1 1 A 64 64 ALA H H 64 7.867 7.152 0.715 1
1 786 . 6 1 1 A 64 64 ALA CA C 64 52.768 54.097 -1.329 1
1 787 . 6 1 1 A 64 64 ALA HA H 64 4.006 3.891 0.115 1
1 791 . 6 1 1 A 64 64 ALA CB C 64 17.629 17.815 -0.186 1
1 792 . 6 1 1 A 64 64 ALA C C 64 178.097 178.144 -0.047 1
1 793 . 6 1 1 A 65 65 TYR N N 65 116.109 116.342 -0.233 1
1 794 . 6 1 1 A 65 65 TYR H H 65 7.698 7.595 0.103 1
1 795 . 6 1 1 A 65 65 TYR CA C 65 56.328 59.070 -2.742 1
1 796 . 6 1 1 A 65 65 TYR HA H 65 4.758 4.743 0.015 1
1 797 . 6 1 1 A 65 65 TYR CB C 65 37.765 39.940 -2.175 1
1 808 . 6 1 1 A 65 65 TYR C C 65 174.375 175.801 -1.426 1
1 809 . 6 1 1 A 66 66 VAL N N 66 111.053 114.780 -3.727 1
1 810 . 6 1 1 A 66 66 VAL H H 66 7.415 7.080 0.335 1
1 811 . 6 1 1 A 66 66 VAL CA C 66 58.119 59.449 -1.330 1
1 812 . 6 1 1 A 66 66 VAL HA H 66 5.538 5.150 0.388 1
1 813 . 6 1 1 A 66 66 VAL CB C 66 35.809 34.369 1.440 1
1 823 . 6 1 1 A 66 66 VAL C C 66 173.511 174.178 -0.667 1
1 824 . 6 1 1 A 67 67 LYS N N 67 118.588 123.510 -4.922 1
1 825 . 6 1 1 A 67 67 LYS H H 67 8.631 9.009 -0.378 1
1 826 . 6 1 1 A 67 67 LYS CA C 67 54.035 54.769 -0.734 1
1 827 . 6 1 1 A 67 67 LYS HA H 67 4.830 5.402 -0.572 1
1 828 . 6 1 1 A 67 67 LYS CB C 67 36.779 36.246 0.533 1
1 838 . 6 1 1 A 67 67 LYS C C 67 175.992 175.733 0.259 1
1 839 . 6 1 1 A 68 68 LYS N N 68 125.838 126.867 -1.029 1
1 840 . 6 1 1 A 68 68 LYS H H 68 9.227 8.773 0.454 1
1 841 . 6 1 1 A 68 68 LYS CA C 68 58.335 57.229 1.106 1
1 842 . 6 1 1 A 68 68 LYS HA H 68 4.494 4.196 0.298 1
1 843 . 6 1 1 A 68 68 LYS CB C 68 32.893 33.098 -0.205 1
1 853 . 6 1 1 A 68 68 LYS C C 68 176.657 176.996 -0.339 1
1 854 . 6 1 1 A 69 69 LEU N N 69 125.443 123.791 1.652 1
1 855 . 6 1 1 A 69 69 LEU H H 69 8.449 8.857 -0.408 1
1 856 . 6 1 1 A 69 69 LEU CA C 69 54.873 54.126 0.747 1
1 857 . 6 1 1 A 69 69 LEU HA H 69 4.437 4.562 -0.125 1
1 858 . 6 1 1 A 69 69 LEU CB C 69 42.345 41.162 1.183 1
1 871 . 6 1 1 A 69 69 LEU C C 69 176.147 175.296 0.851 1
1 10 . 7 1 1 A 2 2 ASP N N 2 123.485 117.631 5.854 1
1 11 . 7 1 1 A 2 2 ASP H H 2 8.809 8.502 0.307 1
1 12 . 7 1 1 A 2 2 ASP CA C 2 54.244 55.581 -1.337 1
1 13 . 7 1 1 A 2 2 ASP HA H 2 4.673 4.161 0.512 1
1 14 . 7 1 1 A 2 2 ASP CB C 2 40.452 39.255 1.197 1
1 17 . 7 1 1 A 2 2 ASP C C 2 175.771 175.902 -0.131 1
1 18 . 7 1 1 A 3 3 GLU N N 3 121.725 115.166 6.559 1
1 19 . 7 1 1 A 3 3 GLU H H 3 8.684 8.492 0.192 1
1 20 . 7 1 1 A 3 3 GLU CA C 3 56.162 56.064 0.098 1
1 21 . 7 1 1 A 3 3 GLU HA H 3 4.392 4.335 0.057 1
1 22 . 7 1 1 A 3 3 GLU CB C 3 29.170 29.230 -0.060 1
1 28 . 7 1 1 A 3 3 GLU C C 3 176.546 175.606 0.940 1
1 29 . 7 1 1 A 4 4 THR N N 4 114.384 110.969 3.415 1
1 30 . 7 1 1 A 4 4 THR H H 4 8.303 7.770 0.533 1
1 31 . 7 1 1 A 4 4 THR CA C 4 62.347 61.097 1.250 1
1 32 . 7 1 1 A 4 4 THR HA H 4 4.278 4.846 -0.568 1
1 33 . 7 1 1 A 4 4 THR CB C 4 69.672 71.184 -1.512 1
1 39 . 7 1 1 A 4 4 THR C C 4 175.306 173.386 1.920 1
1 40 . 7 1 1 A 5 5 GLY N N 5 111.296 112.160 -0.864 1
1 41 . 7 1 1 A 5 5 GLY H H 5 8.422 8.532 -0.110 1
1 42 . 7 1 1 A 5 5 GLY CA C 5 45.302 45.255 0.047 1
1 43 . 7 1 1 A 5 5 GLY HA2 H 5 3.928 4.073 -0.145 1
1 44 . 7 1 1 A 5 5 GLY HA3 H 5 3.928 4.074 -0.146 1
1 45 . 7 1 1 A 5 5 GLY C C 5 173.689 174.480 -0.791 1
1 46 . 7 1 1 A 6 6 LYS N N 6 119.850 117.156 2.694 1
1 47 . 7 1 1 A 6 6 LYS H H 6 8.008 8.122 -0.114 1
1 48 . 7 1 1 A 6 6 LYS CA C 6 55.401 56.826 -1.425 1
1 49 . 7 1 1 A 6 6 LYS HA H 6 4.381 4.411 -0.030 1
1 50 . 7 1 1 A 6 6 LYS CB C 6 33.225 35.437 -2.212 1
1 62 . 7 1 1 A 6 6 LYS C C 6 175.948 176.710 -0.762 1
1 63 . 7 1 1 A 7 7 GLU N N 7 122.488 116.670 5.818 1
1 64 . 7 1 1 A 7 7 GLU H H 7 8.577 7.576 1.001 1
1 65 . 7 1 1 A 7 7 GLU CA C 7 55.690 55.974 -0.284 1
1 66 . 7 1 1 A 7 7 GLU HA H 7 4.495 4.631 -0.136 1
1 67 . 7 1 1 A 7 7 GLU CB C 7 30.382 30.280 0.102 1
1 73 . 7 1 1 A 7 7 GLU C C 7 174.109 174.587 -0.478 1
1 74 . 7 1 1 A 8 8 LEU N N 8 123.063 126.221 -3.158 1
1 75 . 7 1 1 A 8 8 LEU H H 8 8.485 8.897 -0.412 1
1 76 . 7 1 1 A 8 8 LEU CA C 8 53.331 53.594 -0.263 1
1 77 . 7 1 1 A 8 8 LEU HA H 8 5.381 4.988 0.393 1
1 78 . 7 1 1 A 8 8 LEU CB C 8 45.077 43.668 1.409 1
1 91 . 7 1 1 A 8 8 LEU C C 8 177.344 176.769 0.575 1
1 92 . 7 1 1 A 9 9 VAL N N 9 111.683 119.069 -7.386 1
1 93 . 7 1 1 A 9 9 VAL H H 9 9.111 9.366 -0.255 1
1 94 . 7 1 1 A 9 9 VAL CA C 9 57.854 59.187 -1.333 1
1 95 . 7 1 1 A 9 9 VAL HA H 9 5.214 5.170 0.044 1
1 96 . 7 1 1 A 9 9 VAL CB C 9 35.864 34.818 1.046 1
1 106 . 7 1 1 A 9 9 VAL C C 9 172.404 173.977 -1.573 1
1 107 . 7 1 1 A 10 10 LEU N N 10 123.366 126.797 -3.431 1
1 108 . 7 1 1 A 10 10 LEU H H 10 8.971 9.202 -0.231 1
1 109 . 7 1 1 A 10 10 LEU CA C 10 52.445 53.387 -0.942 1
1 110 . 7 1 1 A 10 10 LEU HA H 10 5.100 5.224 -0.124 1
1 111 . 7 1 1 A 10 10 LEU CB C 10 46.711 44.730 1.981 1
1 124 . 7 1 1 A 10 10 LEU C C 10 176.568 175.512 1.056 1
1 125 . 7 1 1 A 11 11 ALA N N 11 127.241 129.086 -1.845 1
1 126 . 7 1 1 A 11 11 ALA H H 11 9.160 9.079 0.081 1
1 127 . 7 1 1 A 11 11 ALA CA C 11 52.416 51.205 1.211 1
1 128 . 7 1 1 A 11 11 ALA HA H 11 4.610 4.404 0.206 1
1 132 . 7 1 1 A 11 11 ALA CB C 11 19.051 18.159 0.892 1
1 133 . 7 1 1 A 11 11 ALA C C 11 178.252 177.769 0.483 1
1 134 . 7 1 1 A 12 12 LEU N N 12 127.842 126.583 1.259 1
1 135 . 7 1 1 A 12 12 LEU H H 12 9.257 8.552 0.705 1
1 136 . 7 1 1 A 12 12 LEU CA C 12 55.585 57.740 -2.155 1
1 137 . 7 1 1 A 12 12 LEU HA H 12 3.884 3.868 0.016 1
1 138 . 7 1 1 A 12 12 LEU CB C 12 43.192 41.868 1.324 1
1 151 . 7 1 1 A 12 12 LEU C C 12 174.951 176.471 -1.520 1
1 152 . 7 1 1 A 13 13 TYR N N 13 111.673 115.087 -3.414 1
1 153 . 7 1 1 A 13 13 TYR H H 13 7.129 7.716 -0.587 1
1 154 . 7 1 1 A 13 13 TYR CA C 13 54.530 56.721 -2.191 1
1 155 . 7 1 1 A 13 13 TYR HA H 13 4.617 4.940 -0.323 1
1 156 . 7 1 1 A 13 13 TYR CB C 13 42.982 41.930 1.052 1
1 167 . 7 1 1 A 13 13 TYR C C 13 173.600 173.989 -0.389 1
1 168 . 7 1 1 A 14 14 ASP N N 14 117.888 121.269 -3.381 1
1 169 . 7 1 1 A 14 14 ASP H H 14 8.328 8.770 -0.442 1
1 170 . 7 1 1 A 14 14 ASP CA C 14 54.527 52.743 1.784 1
1 171 . 7 1 1 A 14 14 ASP HA H 14 4.615 5.584 -0.969 1
1 172 . 7 1 1 A 14 14 ASP CB C 14 41.351 43.535 -2.184 1
1 175 . 7 1 1 A 14 14 ASP C C 14 176.125 174.238 1.887 1
1 176 . 7 1 1 A 15 15 TYR N N 15 120.102 123.741 -3.639 1
1 177 . 7 1 1 A 15 15 TYR H H 15 8.733 8.903 -0.170 1
1 178 . 7 1 1 A 15 15 TYR CA C 15 59.669 57.341 2.328 1
1 179 . 7 1 1 A 15 15 TYR HA H 15 4.662 5.101 -0.439 1
1 180 . 7 1 1 A 15 15 TYR CB C 15 43.400 41.956 1.444 1
1 191 . 7 1 1 A 15 15 TYR C C 15 172.803 173.764 -0.961 1
1 192 . 7 1 1 A 16 16 GLN N N 16 126.945 121.635 5.310 1
1 193 . 7 1 1 A 16 16 GLN H H 16 7.546 8.038 -0.492 1
1 194 . 7 1 1 A 16 16 GLN CA C 16 53.820 55.157 -1.337 1
1 195 . 7 1 1 A 16 16 GLN HA H 16 4.500 4.665 -0.165 1
1 196 . 7 1 1 A 16 16 GLN CB C 16 29.378 29.581 -0.203 1
1 202 . 7 1 1 A 16 16 GLN C C 16 173.910 174.588 -0.678 1
1 203 . 7 1 1 A 17 17 GLU N N 17 123.035 125.562 -2.527 1
1 204 . 7 1 1 A 17 17 GLU H H 17 7.930 8.912 -0.982 1
1 205 . 7 1 1 A 17 17 GLU CA C 17 56.078 56.876 -0.798 1
1 206 . 7 1 1 A 17 17 GLU HA H 17 4.211 4.286 -0.075 1
1 207 . 7 1 1 A 17 17 GLU CB C 17 29.520 30.234 -0.714 1
1 213 . 7 1 1 A 17 17 GLU C C 17 175.926 175.913 0.013 1
1 214 . 7 1 1 A 18 18 LYS N N 18 120.770 121.817 -1.047 1
1 215 . 7 1 1 A 18 18 LYS H H 18 8.801 8.960 -0.159 1
1 216 . 7 1 1 A 18 18 LYS CA C 18 55.164 56.575 -1.411 1
1 217 . 7 1 1 A 18 18 LYS HA H 18 4.424 4.573 -0.149 1
1 218 . 7 1 1 A 18 18 LYS CB C 18 33.328 34.918 -1.590 1
1 230 . 7 1 1 A 18 18 LYS C C 18 176.192 176.314 -0.122 1
1 231 . 7 1 1 A 19 19 SER N N 19 114.841 114.974 -0.133 1
1 232 . 7 1 1 A 19 19 SER H H 19 7.619 7.950 -0.331 1
1 233 . 7 1 1 A 19 19 SER CA C 19 56.678 55.638 1.040 1
1 234 . 7 1 1 A 19 19 SER HA H 19 4.863 4.928 -0.065 1
1 235 . 7 1 1 A 19 19 SER CB C 19 64.060 64.945 -0.885 1
1 239 . 7 1 1 A 20 20 PRO CA C 20 64.803 64.347 0.456 1
1 240 . 7 1 1 A 20 20 PRO HA H 20 4.549 4.542 0.007 1
1 241 . 7 1 1 A 20 20 PRO CB C 20 31.894 31.779 0.115 1
1 249 . 7 1 1 A 20 20 PRO C C 20 176.679 177.302 -0.623 1
1 250 . 7 1 1 A 21 21 ARG N N 21 113.864 116.313 -2.449 1
1 251 . 7 1 1 A 21 21 ARG H H 21 7.687 8.471 -0.784 1
1 252 . 7 1 1 A 21 21 ARG CA C 21 56.119 56.104 0.015 1
1 253 . 7 1 1 A 21 21 ARG HA H 21 4.598 4.428 0.170 1
1 254 . 7 1 1 A 21 21 ARG CB C 21 30.299 30.054 0.245 1
1 263 . 7 1 1 A 21 21 ARG C C 21 176.369 175.245 1.124 1
1 264 . 7 1 1 A 22 22 GLU N N 22 121.539 120.287 1.252 1
1 265 . 7 1 1 A 22 22 GLU H H 22 7.842 7.262 0.580 1
1 266 . 7 1 1 A 22 22 GLU CA C 22 54.951 55.298 -0.347 1
1 267 . 7 1 1 A 22 22 GLU HA H 22 5.484 5.018 0.466 1
1 268 . 7 1 1 A 22 22 GLU CB C 22 33.535 33.462 0.073 1
1 274 . 7 1 1 A 22 22 GLU C C 22 174.375 174.628 -0.253 1
1 275 . 7 1 1 A 23 23 VAL N N 23 111.923 118.621 -6.698 1
1 276 . 7 1 1 A 23 23 VAL H H 23 7.373 8.287 -0.914 1
1 277 . 7 1 1 A 23 23 VAL CA C 23 59.570 59.640 -0.070 1
1 278 . 7 1 1 A 23 23 VAL HA H 23 4.531 5.204 -0.673 1
1 279 . 7 1 1 A 23 23 VAL CB C 23 34.667 36.351 -1.684 1
1 289 . 7 1 1 A 23 23 VAL C C 23 172.625 173.766 -1.141 1
1 290 . 7 1 1 A 24 24 THR N N 24 117.656 115.551 2.105 1
1 291 . 7 1 1 A 24 24 THR H H 24 7.112 8.818 -1.706 1
1 292 . 7 1 1 A 24 24 THR CA C 24 61.994 60.456 1.538 1
1 293 . 7 1 1 A 24 24 THR HA H 24 5.119 5.172 -0.053 1
1 294 . 7 1 1 A 24 24 THR CB C 24 71.220 70.679 0.541 1
1 300 . 7 1 1 A 24 24 THR C C 24 174.309 172.375 1.934 1
1 301 . 7 1 1 A 25 25 MET N N 25 122.056 121.482 0.574 1
1 302 . 7 1 1 A 25 25 MET H H 25 9.515 9.018 0.497 1
1 303 . 7 1 1 A 25 25 MET CA C 25 54.247 53.781 0.466 1
1 304 . 7 1 1 A 25 25 MET HA H 25 4.935 5.108 -0.173 1
1 305 . 7 1 1 A 25 25 MET CB C 25 36.287 35.877 0.410 1
1 312 . 7 1 1 A 25 25 MET C C 25 173.777 173.770 0.007 1
1 313 . 7 1 1 A 26 26 LYS N N 26 124.668 118.292 6.376 1
1 314 . 7 1 1 A 26 26 LYS H H 26 8.949 8.622 0.327 1
1 315 . 7 1 1 A 26 26 LYS CA C 26 53.476 54.283 -0.807 1
1 316 . 7 1 1 A 26 26 LYS HA H 26 4.896 5.277 -0.381 1
1 317 . 7 1 1 A 26 26 LYS CB C 26 34.097 36.239 -2.142 1
1 327 . 7 1 1 A 26 26 LYS C C 26 174.929 176.461 -1.532 1
1 328 . 7 1 1 A 27 27 LYS N N 27 122.567 121.645 0.922 1
1 329 . 7 1 1 A 27 27 LYS H H 27 9.061 8.428 0.633 1
1 330 . 7 1 1 A 27 27 LYS CA C 27 58.539 57.079 1.460 1
1 331 . 7 1 1 A 27 27 LYS HA H 27 4.656 4.262 0.394 1
1 332 . 7 1 1 A 27 27 LYS CB C 27 32.202 31.809 0.393 1
1 344 . 7 1 1 A 27 27 LYS C C 27 177.344 176.998 0.346 1
1 345 . 7 1 1 A 28 28 GLY N N 28 115.884 113.480 2.404 1
1 346 . 7 1 1 A 28 28 GLY H H 28 8.900 9.260 -0.360 1
1 347 . 7 1 1 A 28 28 GLY CA C 28 44.779 45.052 -0.273 1
1 348 . 7 1 1 A 28 28 GLY HA2 H 28 3.523 3.945 -0.422 1
1 349 . 7 1 1 A 28 28 GLY HA3 H 28 4.469 3.946 0.523 1
1 350 . 7 1 1 A 28 28 GLY C C 28 174.021 174.198 -0.177 1
1 351 . 7 1 1 A 29 29 ASP N N 29 122.466 120.188 2.278 1
1 352 . 7 1 1 A 29 29 ASP H H 29 8.513 7.948 0.565 1
1 353 . 7 1 1 A 29 29 ASP CA C 29 55.711 53.893 1.818 1
1 354 . 7 1 1 A 29 29 ASP HA H 29 4.523 4.964 -0.441 1
1 355 . 7 1 1 A 29 29 ASP CB C 29 41.361 42.995 -1.634 1
1 358 . 7 1 1 A 29 29 ASP C C 29 174.331 174.833 -0.502 1
1 359 . 7 1 1 A 30 30 ILE N N 30 120.470 119.680 0.790 1
1 360 . 7 1 1 A 30 30 ILE H H 30 8.204 8.470 -0.266 1
1 361 . 7 1 1 A 30 30 ILE CA C 30 60.164 60.382 -0.218 1
1 362 . 7 1 1 A 30 30 ILE HA H 30 5.025 5.328 -0.303 1
1 363 . 7 1 1 A 30 30 ILE CB C 30 38.257 41.908 -3.651 1
1 372 . 7 1 1 A 30 30 ILE C C 30 176.236 175.052 1.184 1
1 373 . 7 1 1 A 31 31 LEU N N 31 128.265 126.385 1.880 1
1 374 . 7 1 1 A 31 31 LEU H H 31 9.353 8.875 0.478 1
1 375 . 7 1 1 A 31 31 LEU CA C 31 53.601 53.799 -0.198 1
1 376 . 7 1 1 A 31 31 LEU HA H 31 4.998 5.032 -0.034 1
1 377 . 7 1 1 A 31 31 LEU CB C 31 43.893 45.720 -1.827 1
1 388 . 7 1 1 A 31 31 LEU C C 31 175.638 175.901 -0.263 1
1 389 . 7 1 1 A 32 32 THR N N 32 117.089 119.889 -2.800 1
1 390 . 7 1 1 A 32 32 THR H H 32 8.141 8.713 -0.572 1
1 391 . 7 1 1 A 32 32 THR CA C 32 63.263 63.090 0.173 1
1 392 . 7 1 1 A 32 32 THR HA H 32 4.619 4.411 0.208 1
1 393 . 7 1 1 A 32 32 THR CB C 32 69.867 69.156 0.711 1
1 399 . 7 1 1 A 32 32 THR C C 32 173.600 174.051 -0.451 1
1 400 . 7 1 1 A 33 33 LEU N N 33 129.212 128.214 0.998 1
1 401 . 7 1 1 A 33 33 LEU H H 33 9.070 8.600 0.470 1
1 402 . 7 1 1 A 33 33 LEU CA C 33 54.671 54.825 -0.154 1
1 403 . 7 1 1 A 33 33 LEU HA H 33 4.356 4.534 -0.178 1
1 404 . 7 1 1 A 33 33 LEU CB C 33 42.968 43.351 -0.383 1
1 417 . 7 1 1 A 33 33 LEU C C 33 174.553 175.866 -1.313 1
1 418 . 7 1 1 A 34 34 LEU N N 34 125.880 127.090 -1.210 1
1 419 . 7 1 1 A 34 34 LEU H H 34 9.051 9.379 -0.328 1
1 420 . 7 1 1 A 34 34 LEU CA C 34 54.811 55.729 -0.918 1
1 421 . 7 1 1 A 34 34 LEU HA H 34 4.532 4.523 0.009 1
1 422 . 7 1 1 A 34 34 LEU CB C 34 42.977 43.713 -0.736 1
1 434 . 7 1 1 A 34 34 LEU C C 34 177.477 177.055 0.422 1
1 435 . 7 1 1 A 35 35 ASN N N 35 113.971 116.684 -2.713 1
1 436 . 7 1 1 A 35 35 ASN H H 35 7.600 7.713 -0.113 1
1 437 . 7 1 1 A 35 35 ASN CA C 35 54.543 53.229 1.314 1
1 438 . 7 1 1 A 35 35 ASN HA H 35 4.680 5.201 -0.521 1
1 439 . 7 1 1 A 35 35 ASN CB C 35 40.958 41.257 -0.299 1
1 443 . 7 1 1 A 35 35 ASN C C 35 174.375 173.932 0.443 1
1 444 . 7 1 1 A 36 36 SER N N 36 123.815 117.956 5.859 1
1 445 . 7 1 1 A 36 36 SER H H 36 9.194 8.539 0.655 1
1 446 . 7 1 1 A 36 36 SER CA C 36 56.692 56.525 0.167 1
1 447 . 7 1 1 A 36 36 SER HA H 36 3.921 4.915 -0.994 1
1 448 . 7 1 1 A 36 36 SER CB C 36 62.180 62.602 -0.422 1
1 451 . 7 1 1 A 36 36 SER C C 36 173.401 175.389 -1.988 1
1 452 . 7 1 1 A 37 37 THR N N 37 115.041 115.641 -0.600 1
1 453 . 7 1 1 A 37 37 THR H H 37 8.178 7.770 0.408 1
1 454 . 7 1 1 A 37 37 THR CA C 37 65.484 64.438 1.046 1
1 455 . 7 1 1 A 37 37 THR HA H 37 4.528 4.189 0.339 1
1 456 . 7 1 1 A 37 37 THR CB C 37 69.416 69.284 0.132 1
1 462 . 7 1 1 A 37 37 THR C C 37 175.261 174.291 0.970 1
1 463 . 7 1 1 A 38 38 ASN N N 38 122.494 119.466 3.028 1
1 464 . 7 1 1 A 38 38 ASN H H 38 8.674 8.092 0.582 1
1 465 . 7 1 1 A 38 38 ASN CA C 38 53.188 51.590 1.598 1
1 466 . 7 1 1 A 38 38 ASN HA H 38 4.863 5.142 -0.279 1
1 467 . 7 1 1 A 38 38 ASN CB C 38 40.525 41.584 -1.059 1
1 470 . 7 1 1 A 38 38 ASN C C 38 174.575 174.709 -0.134 1
1 471 . 7 1 1 A 39 39 LYS N N 39 120.915 122.369 -1.454 1
1 472 . 7 1 1 A 39 39 LYS H H 39 8.510 8.856 -0.346 1
1 473 . 7 1 1 A 39 39 LYS CA C 39 58.333 56.600 1.733 1
1 474 . 7 1 1 A 39 39 LYS HA H 39 4.247 4.884 -0.637 1
1 475 . 7 1 1 A 39 39 LYS CB C 39 32.520 33.292 -0.772 1
1 485 . 7 1 1 A 39 39 LYS C C 39 176.236 177.583 -1.347 1
1 486 . 7 1 1 A 40 40 ASP N N 40 114.628 117.450 -2.822 1
1 487 . 7 1 1 A 40 40 ASP H H 40 8.173 7.543 0.630 1
1 488 . 7 1 1 A 40 40 ASP CA C 40 55.380 56.189 -0.809 1
1 489 . 7 1 1 A 40 40 ASP HA H 40 4.544 4.254 0.290 1
1 490 . 7 1 1 A 40 40 ASP CB C 40 43.415 42.008 1.407 1
1 493 . 7 1 1 A 40 40 ASP C C 40 176.967 175.764 1.203 1
1 494 . 7 1 1 A 41 41 TRP N N 41 122.703 115.259 7.444 1
1 495 . 7 1 1 A 41 41 TRP H H 41 8.209 7.595 0.614 1
1 496 . 7 1 1 A 41 41 TRP CA C 41 56.184 56.026 0.158 1
1 497 . 7 1 1 A 41 41 TRP HA H 41 5.075 5.426 -0.351 1
1 498 . 7 1 1 A 41 41 TRP CB C 41 32.019 33.346 -1.327 1
1 513 . 7 1 1 A 41 41 TRP C C 41 174.176 175.293 -1.117 1
1 514 . 7 1 1 A 42 42 TRP N N 42 124.895 123.367 1.528 1
1 515 . 7 1 1 A 42 42 TRP H H 42 9.366 9.114 0.252 1
1 516 . 7 1 1 A 42 42 TRP CA C 42 54.076 55.627 -1.551 1
1 517 . 7 1 1 A 42 42 TRP HA H 42 5.523 5.496 0.027 1
1 518 . 7 1 1 A 42 42 TRP CB C 42 31.447 32.331 -0.884 1
1 533 . 7 1 1 A 42 42 TRP C C 42 174.109 175.322 -1.213 1
1 534 . 7 1 1 A 43 43 LYS N N 43 124.120 124.462 -0.342 1
1 535 . 7 1 1 A 43 43 LYS H H 43 8.883 9.409 -0.526 1
1 536 . 7 1 1 A 43 43 LYS CA C 43 55.158 55.562 -0.404 1
1 537 . 7 1 1 A 43 43 LYS HA H 43 4.368 4.881 -0.513 1
1 538 . 7 1 1 A 43 43 LYS CB C 43 33.794 33.495 0.299 1
1 550 . 7 1 1 A 43 43 LYS C C 43 175.416 176.077 -0.661 1
1 551 . 7 1 1 A 44 44 VAL N N 44 122.055 120.921 1.134 1
1 552 . 7 1 1 A 44 44 VAL H H 44 9.427 9.181 0.246 1
1 553 . 7 1 1 A 44 44 VAL CA C 44 58.825 58.868 -0.043 1
1 554 . 7 1 1 A 44 44 VAL HA H 44 5.375 5.289 0.086 1
1 555 . 7 1 1 A 44 44 VAL CB C 44 36.593 35.167 1.426 1
1 565 . 7 1 1 A 44 44 VAL C C 44 173.223 173.570 -0.347 1
1 566 . 7 1 1 A 45 45 GLU N N 45 118.673 122.558 -3.885 1
1 567 . 7 1 1 A 45 45 GLU H H 45 8.733 8.896 -0.163 1
1 568 . 7 1 1 A 45 45 GLU CA C 45 54.249 54.716 -0.467 1
1 569 . 7 1 1 A 45 45 GLU HA H 45 5.432 5.073 0.359 1
1 570 . 7 1 1 A 45 45 GLU CB C 45 33.286 31.664 1.622 1
1 576 . 7 1 1 A 45 45 GLU C C 45 174.774 175.888 -1.114 1
1 577 . 7 1 1 A 46 46 VAL N N 46 123.551 122.995 0.556 1
1 578 . 7 1 1 A 46 46 VAL H H 46 9.058 8.972 0.086 1
1 579 . 7 1 1 A 46 46 VAL CA C 46 59.627 59.951 -0.324 1
1 580 . 7 1 1 A 46 46 VAL HA H 46 4.669 4.958 -0.289 1
1 581 . 7 1 1 A 46 46 VAL CB C 46 35.290 33.907 1.383 1
1 590 . 7 1 1 A 46 46 VAL C C 46 173.534 175.181 -1.647 1
1 591 . 7 1 1 A 47 47 LYS N N 47 124.992 119.138 5.854 1
1 592 . 7 1 1 A 47 47 LYS H H 47 8.446 8.835 -0.389 1
1 593 . 7 1 1 A 47 47 LYS CA C 47 55.905 54.173 1.732 1
1 594 . 7 1 1 A 47 47 LYS HA H 47 4.763 5.067 -0.304 1
1 595 . 7 1 1 A 47 47 LYS CB C 47 33.450 36.472 -3.022 1
1 605 . 7 1 1 A 47 47 LYS C C 47 175.306 174.546 0.760 1
1 606 . 7 1 1 A 48 48 ALA N N 48 128.781 121.418 7.363 1
1 607 . 7 1 1 A 48 48 ALA H H 48 8.757 8.493 0.264 1
1 608 . 7 1 1 A 48 48 ALA CA C 48 50.828 50.257 0.571 1
1 609 . 7 1 1 A 48 48 ALA HA H 48 4.616 4.942 -0.326 1
1 613 . 7 1 1 A 48 48 ALA CB C 48 21.741 22.929 -1.188 1
1 614 . 7 1 1 A 48 48 ALA C C 48 175.173 175.632 -0.459 1
1 615 . 7 1 1 A 49 49 THR N N 49 113.585 117.293 -3.708 1
1 616 . 7 1 1 A 49 49 THR H H 49 8.333 8.441 -0.108 1
1 617 . 7 1 1 A 49 49 THR CA C 49 60.826 61.565 -0.739 1
1 618 . 7 1 1 A 49 49 THR HA H 49 5.257 5.351 -0.094 1
1 619 . 7 1 1 A 49 49 THR CB C 49 71.045 70.146 0.899 1
1 624 . 7 1 1 A 49 49 THR C C 49 174.176 173.498 0.678 1
1 625 . 7 1 1 A 50 50 ALA N N 50 127.142 127.830 -0.688 1
1 626 . 7 1 1 A 50 50 ALA H H 50 8.914 9.015 -0.101 1
1 627 . 7 1 1 A 50 50 ALA CA C 50 52.345 50.730 1.615 1
1 628 . 7 1 1 A 50 50 ALA HA H 50 4.603 4.979 -0.376 1
1 632 . 7 1 1 A 50 50 ALA CB C 50 20.935 22.769 -1.834 1
1 633 . 7 1 1 A 50 50 ALA C C 50 177.299 177.341 -0.042 1
1 634 . 7 1 1 A 51 51 ASN N N 51 121.555 120.927 0.628 1
1 635 . 7 1 1 A 51 51 ASN H H 51 9.491 9.336 0.155 1
1 636 . 7 1 1 A 51 51 ASN CA C 51 54.177 53.872 0.305 1
1 637 . 7 1 1 A 51 51 ASN HA H 51 4.389 4.485 -0.096 1
1 638 . 7 1 1 A 51 51 ASN CB C 51 37.413 36.124 1.289 1
1 641 . 7 1 1 A 51 51 ASN C C 51 175.106 175.200 -0.094 1
1 642 . 7 1 1 A 52 52 GLY N N 52 103.942 106.818 -2.876 1
1 643 . 7 1 1 A 52 52 GLY H H 52 8.681 8.682 -0.001 1
1 644 . 7 1 1 A 52 52 GLY CA C 52 45.443 46.781 -1.338 1
1 645 . 7 1 1 A 52 52 GLY HA2 H 52 3.624 3.911 -0.287 1
1 646 . 7 1 1 A 52 52 GLY HA3 H 52 4.143 3.912 0.231 1
1 647 . 7 1 1 A 52 52 GLY C C 52 173.666 173.867 -0.201 1
1 648 . 7 1 1 A 53 53 LYS N N 53 121.213 119.359 1.854 1
1 649 . 7 1 1 A 53 53 LYS H H 53 7.893 7.839 0.054 1
1 650 . 7 1 1 A 53 53 LYS CA C 53 54.807 54.304 0.503 1
1 651 . 7 1 1 A 53 53 LYS HA H 53 4.727 4.874 -0.147 1
1 652 . 7 1 1 A 53 53 LYS CB C 53 34.737 35.910 -1.173 1
1 664 . 7 1 1 A 53 53 LYS C C 53 175.239 175.197 0.042 1
1 665 . 7 1 1 A 54 54 THR N N 54 118.501 115.337 3.164 1
1 666 . 7 1 1 A 54 54 THR H H 54 8.498 8.869 -0.371 1
1 667 . 7 1 1 A 54 54 THR CA C 54 61.925 61.048 0.877 1
1 668 . 7 1 1 A 54 54 THR HA H 54 5.117 5.475 -0.358 1
1 669 . 7 1 1 A 54 54 THR CB C 54 70.294 70.383 -0.089 1
1 675 . 7 1 1 A 54 54 THR C C 54 173.733 173.768 -0.035 1
1 676 . 7 1 1 A 55 55 TYR N N 55 125.105 119.821 5.284 1
1 677 . 7 1 1 A 55 55 TYR H H 55 9.122 9.089 0.033 1
1 678 . 7 1 1 A 55 55 TYR CA C 55 56.149 55.003 1.146 1
1 679 . 7 1 1 A 55 55 TYR HA H 55 4.857 5.746 -0.889 1
1 680 . 7 1 1 A 55 55 TYR CB C 55 40.090 42.212 -2.122 1
1 691 . 7 1 1 A 55 55 TYR C C 55 172.847 173.772 -0.925 1
1 692 . 7 1 1 A 56 56 GLU N N 56 119.744 120.829 -1.085 1
1 693 . 7 1 1 A 56 56 GLU H H 56 8.503 9.004 -0.501 1
1 694 . 7 1 1 A 56 56 GLU CA C 56 54.739 55.030 -0.291 1
1 695 . 7 1 1 A 56 56 GLU HA H 56 5.030 5.238 -0.208 1
1 696 . 7 1 1 A 56 56 GLU CB C 56 30.297 32.850 -2.553 1
1 701 . 7 1 1 A 56 56 GLU C C 56 175.394 176.244 -0.850 1
1 702 . 7 1 1 A 57 57 ARG N N 57 123.665 119.762 3.903 1
1 703 . 7 1 1 A 57 57 ARG H H 57 8.897 9.348 -0.451 1
1 704 . 7 1 1 A 57 57 ARG CA C 57 54.944 54.322 0.622 1
1 705 . 7 1 1 A 57 57 ARG HA H 57 4.663 5.053 -0.390 1
1 706 . 7 1 1 A 57 57 ARG CB C 57 33.471 33.843 -0.372 1
1 713 . 7 1 1 A 57 57 ARG C C 57 174.198 174.352 -0.154 1
1 714 . 7 1 1 A 58 58 GLN N N 58 119.967 121.196 -1.229 1
1 715 . 7 1 1 A 58 58 GLN H H 58 8.604 8.534 0.070 1
1 716 . 7 1 1 A 58 58 GLN CA C 58 53.394 54.657 -1.263 1
1 717 . 7 1 1 A 58 58 GLN HA H 58 5.602 5.116 0.486 1
1 718 . 7 1 1 A 58 58 GLN CB C 58 31.229 30.593 0.636 1
1 724 . 7 1 1 A 58 58 GLN C C 58 175.771 175.972 -0.201 1
1 725 . 7 1 1 A 59 59 GLY N N 59 107.507 108.709 -1.202 1
1 726 . 7 1 1 A 59 59 GLY H H 59 8.652 8.794 -0.142 1
1 727 . 7 1 1 A 59 59 GLY CA C 59 45.583 45.443 0.140 1
1 728 . 7 1 1 A 59 59 GLY HA2 H 59 3.947 4.190 -0.243 1
1 729 . 7 1 1 A 59 59 GLY HA3 H 59 3.947 4.329 -0.382 1
1 730 . 7 1 1 A 59 59 GLY C C 59 170.255 171.757 -1.502 1
1 731 . 7 1 1 A 60 60 PHE N N 60 119.079 119.301 -0.222 1
1 732 . 7 1 1 A 60 60 PHE H H 60 9.153 8.665 0.488 1
1 733 . 7 1 1 A 60 60 PHE CA C 60 58.544 56.809 1.735 1
1 734 . 7 1 1 A 60 60 PHE HA H 60 5.666 5.800 -0.134 1
1 735 . 7 1 1 A 60 60 PHE CB C 60 42.484 42.214 0.270 1
1 748 . 7 1 1 A 60 60 PHE C C 60 175.461 175.319 0.142 1
1 749 . 7 1 1 A 61 61 VAL N N 61 110.995 116.433 -5.438 1
1 750 . 7 1 1 A 61 61 VAL H H 61 9.065 9.133 -0.068 1
1 751 . 7 1 1 A 61 61 VAL CA C 61 58.189 58.235 -0.046 1
1 752 . 7 1 1 A 61 61 VAL HA H 61 4.823 4.917 -0.094 1
1 753 . 7 1 1 A 61 61 VAL CB C 61 33.521 34.668 -1.147 1
1 764 . 7 1 1 A 62 62 PRO CA C 62 61.852 61.865 -0.013 1
1 765 . 7 1 1 A 62 62 PRO HA H 62 3.556 3.699 -0.143 1
1 766 . 7 1 1 A 62 62 PRO CB C 62 29.777 30.701 -0.924 1
1 774 . 7 1 1 A 62 62 PRO C C 62 177.787 177.193 0.594 1
1 775 . 7 1 1 A 63 63 ALA N N 63 129.142 127.780 1.362 1
1 776 . 7 1 1 A 63 63 ALA H H 63 7.477 8.104 -0.627 1
1 777 . 7 1 1 A 63 63 ALA CA C 63 54.472 53.516 0.956 1
1 778 . 7 1 1 A 63 63 ALA HA H 63 2.652 3.014 -0.362 1
1 782 . 7 1 1 A 63 63 ALA CB C 63 15.666 17.146 -1.480 1
1 783 . 7 1 1 A 63 63 ALA C C 63 178.429 178.555 -0.126 1
1 784 . 7 1 1 A 64 64 ALA N N 64 113.522 119.206 -5.684 1
1 785 . 7 1 1 A 64 64 ALA H H 64 7.867 7.110 0.757 1
1 786 . 7 1 1 A 64 64 ALA CA C 64 52.768 54.102 -1.334 1
1 787 . 7 1 1 A 64 64 ALA HA H 64 4.006 3.882 0.124 1
1 791 . 7 1 1 A 64 64 ALA CB C 64 17.629 17.856 -0.227 1
1 792 . 7 1 1 A 64 64 ALA C C 64 178.097 178.111 -0.014 1
1 793 . 7 1 1 A 65 65 TYR N N 65 116.109 116.280 -0.171 1
1 794 . 7 1 1 A 65 65 TYR H H 65 7.698 7.569 0.129 1
1 795 . 7 1 1 A 65 65 TYR CA C 65 56.328 59.079 -2.751 1
1 796 . 7 1 1 A 65 65 TYR HA H 65 4.758 4.772 -0.014 1
1 797 . 7 1 1 A 65 65 TYR CB C 65 37.765 40.095 -2.330 1
1 808 . 7 1 1 A 65 65 TYR C C 65 174.375 175.736 -1.361 1
1 809 . 7 1 1 A 66 66 VAL N N 66 111.053 114.820 -3.767 1
1 810 . 7 1 1 A 66 66 VAL H H 66 7.415 7.183 0.232 1
1 811 . 7 1 1 A 66 66 VAL CA C 66 58.119 59.548 -1.429 1
1 812 . 7 1 1 A 66 66 VAL HA H 66 5.538 5.215 0.323 1
1 813 . 7 1 1 A 66 66 VAL CB C 66 35.809 34.617 1.192 1
1 823 . 7 1 1 A 66 66 VAL C C 66 173.511 174.080 -0.569 1
1 824 . 7 1 1 A 67 67 LYS N N 67 118.588 123.693 -5.105 1
1 825 . 7 1 1 A 67 67 LYS H H 67 8.631 9.094 -0.463 1
1 826 . 7 1 1 A 67 67 LYS CA C 67 54.035 54.437 -0.402 1
1 827 . 7 1 1 A 67 67 LYS HA H 67 4.830 5.574 -0.744 1
1 828 . 7 1 1 A 67 67 LYS CB C 67 36.779 36.449 0.330 1
1 838 . 7 1 1 A 67 67 LYS C C 67 175.992 175.761 0.231 1
1 839 . 7 1 1 A 68 68 LYS N N 68 125.838 125.352 0.486 1
1 840 . 7 1 1 A 68 68 LYS H H 68 9.227 8.786 0.441 1
1 841 . 7 1 1 A 68 68 LYS CA C 68 58.335 56.254 2.081 1
1 842 . 7 1 1 A 68 68 LYS HA H 68 4.494 4.467 0.027 1
1 843 . 7 1 1 A 68 68 LYS CB C 68 32.893 32.993 -0.100 1
1 853 . 7 1 1 A 68 68 LYS C C 68 176.657 176.065 0.592 1
1 854 . 7 1 1 A 69 69 LEU N N 69 125.443 123.174 2.269 1
1 855 . 7 1 1 A 69 69 LEU H H 69 8.449 8.848 -0.399 1
1 856 . 7 1 1 A 69 69 LEU CA C 69 54.873 53.608 1.265 1
1 857 . 7 1 1 A 69 69 LEU HA H 69 4.437 4.704 -0.267 1
1 858 . 7 1 1 A 69 69 LEU CB C 69 42.345 41.637 0.708 1
1 871 . 7 1 1 A 69 69 LEU C C 69 176.147 176.388 -0.241 1
1 10 . 8 1 1 A 2 2 ASP N N 2 123.485 118.372 5.113 1
1 11 . 8 1 1 A 2 2 ASP H H 2 8.809 8.560 0.249 1
1 12 . 8 1 1 A 2 2 ASP CA C 2 54.244 53.291 0.953 1
1 13 . 8 1 1 A 2 2 ASP HA H 2 4.673 4.855 -0.182 1
1 14 . 8 1 1 A 2 2 ASP CB C 2 40.452 40.209 0.243 1
1 17 . 8 1 1 A 2 2 ASP C C 2 175.771 176.399 -0.628 1
1 18 . 8 1 1 A 3 3 GLU N N 3 121.725 117.982 3.743 1
1 19 . 8 1 1 A 3 3 GLU H H 3 8.684 8.180 0.504 1
1 20 . 8 1 1 A 3 3 GLU CA C 3 56.162 55.809 0.353 1
1 21 . 8 1 1 A 3 3 GLU HA H 3 4.392 4.563 -0.171 1
1 22 . 8 1 1 A 3 3 GLU CB C 3 29.170 29.604 -0.434 1
1 28 . 8 1 1 A 3 3 GLU C C 3 176.546 175.601 0.945 1
1 29 . 8 1 1 A 4 4 THR N N 4 114.384 112.080 2.304 1
1 30 . 8 1 1 A 4 4 THR H H 4 8.303 7.903 0.400 1
1 31 . 8 1 1 A 4 4 THR CA C 4 62.347 61.195 1.152 1
1 32 . 8 1 1 A 4 4 THR HA H 4 4.278 4.986 -0.708 1
1 33 . 8 1 1 A 4 4 THR CB C 4 69.672 70.643 -0.971 1
1 39 . 8 1 1 A 4 4 THR C C 4 175.306 173.605 1.701 1
1 40 . 8 1 1 A 5 5 GLY N N 5 111.296 112.326 -1.030 1
1 41 . 8 1 1 A 5 5 GLY H H 5 8.422 8.486 -0.064 1
1 42 . 8 1 1 A 5 5 GLY CA C 5 45.302 45.711 -0.409 1
1 43 . 8 1 1 A 5 5 GLY HA2 H 5 3.928 4.135 -0.207 1
1 44 . 8 1 1 A 5 5 GLY HA3 H 5 3.928 4.135 -0.207 1
1 45 . 8 1 1 A 5 5 GLY C C 5 173.689 174.671 -0.982 1
1 46 . 8 1 1 A 6 6 LYS N N 6 119.850 118.926 0.924 1
1 47 . 8 1 1 A 6 6 LYS H H 6 8.008 7.761 0.247 1
1 48 . 8 1 1 A 6 6 LYS CA C 6 55.401 56.397 -0.996 1
1 49 . 8 1 1 A 6 6 LYS HA H 6 4.381 4.524 -0.143 1
1 50 . 8 1 1 A 6 6 LYS CB C 6 33.225 34.433 -1.208 1
1 62 . 8 1 1 A 6 6 LYS C C 6 175.948 176.202 -0.254 1
1 63 . 8 1 1 A 7 7 GLU N N 7 122.488 118.755 3.733 1
1 64 . 8 1 1 A 7 7 GLU H H 7 8.577 7.676 0.901 1
1 65 . 8 1 1 A 7 7 GLU CA C 7 55.690 56.272 -0.582 1
1 66 . 8 1 1 A 7 7 GLU HA H 7 4.495 4.669 -0.174 1
1 67 . 8 1 1 A 7 7 GLU CB C 7 30.382 33.029 -2.647 1
1 73 . 8 1 1 A 7 7 GLU C C 7 174.109 174.311 -0.202 1
1 74 . 8 1 1 A 8 8 LEU N N 8 123.063 127.031 -3.968 1
1 75 . 8 1 1 A 8 8 LEU H H 8 8.485 8.988 -0.503 1
1 76 . 8 1 1 A 8 8 LEU CA C 8 53.331 53.303 0.028 1
1 77 . 8 1 1 A 8 8 LEU HA H 8 5.381 5.132 0.249 1
1 78 . 8 1 1 A 8 8 LEU CB C 8 45.077 46.044 -0.967 1
1 91 . 8 1 1 A 8 8 LEU C C 8 177.344 175.971 1.373 1
1 92 . 8 1 1 A 9 9 VAL N N 9 111.683 118.221 -6.538 1
1 93 . 8 1 1 A 9 9 VAL H H 9 9.111 9.441 -0.330 1
1 94 . 8 1 1 A 9 9 VAL CA C 9 57.854 59.254 -1.400 1
1 95 . 8 1 1 A 9 9 VAL HA H 9 5.214 5.079 0.135 1
1 96 . 8 1 1 A 9 9 VAL CB C 9 35.864 34.990 0.874 1
1 106 . 8 1 1 A 9 9 VAL C C 9 172.404 174.136 -1.732 1
1 107 . 8 1 1 A 10 10 LEU N N 10 123.366 126.688 -3.322 1
1 108 . 8 1 1 A 10 10 LEU H H 10 8.971 9.088 -0.117 1
1 109 . 8 1 1 A 10 10 LEU CA C 10 52.445 53.603 -1.158 1
1 110 . 8 1 1 A 10 10 LEU HA H 10 5.100 4.916 0.184 1
1 111 . 8 1 1 A 10 10 LEU CB C 10 46.711 44.633 2.078 1
1 124 . 8 1 1 A 10 10 LEU C C 10 176.568 175.468 1.100 1
1 125 . 8 1 1 A 11 11 ALA N N 11 127.241 128.986 -1.745 1
1 126 . 8 1 1 A 11 11 ALA H H 11 9.160 8.791 0.369 1
1 127 . 8 1 1 A 11 11 ALA CA C 11 52.416 51.131 1.285 1
1 128 . 8 1 1 A 11 11 ALA HA H 11 4.610 4.495 0.115 1
1 132 . 8 1 1 A 11 11 ALA CB C 11 19.051 18.684 0.367 1
1 133 . 8 1 1 A 11 11 ALA C C 11 178.252 177.777 0.475 1
1 134 . 8 1 1 A 12 12 LEU N N 12 127.842 126.793 1.049 1
1 135 . 8 1 1 A 12 12 LEU H H 12 9.257 8.786 0.471 1
1 136 . 8 1 1 A 12 12 LEU CA C 12 55.585 56.449 -0.864 1
1 137 . 8 1 1 A 12 12 LEU HA H 12 3.884 4.100 -0.216 1
1 138 . 8 1 1 A 12 12 LEU CB C 12 43.192 42.825 0.367 1
1 151 . 8 1 1 A 12 12 LEU C C 12 174.951 176.423 -1.472 1
1 152 . 8 1 1 A 13 13 TYR N N 13 111.673 115.814 -4.141 1
1 153 . 8 1 1 A 13 13 TYR H H 13 7.129 7.430 -0.301 1
1 154 . 8 1 1 A 13 13 TYR CA C 13 54.530 56.572 -2.042 1
1 155 . 8 1 1 A 13 13 TYR HA H 13 4.617 4.971 -0.354 1
1 156 . 8 1 1 A 13 13 TYR CB C 13 42.982 42.342 0.640 1
1 167 . 8 1 1 A 13 13 TYR C C 13 173.600 173.845 -0.245 1
1 168 . 8 1 1 A 14 14 ASP N N 14 117.888 121.240 -3.352 1
1 169 . 8 1 1 A 14 14 ASP H H 14 8.328 8.756 -0.428 1
1 170 . 8 1 1 A 14 14 ASP CA C 14 54.527 52.755 1.772 1
1 171 . 8 1 1 A 14 14 ASP HA H 14 4.615 5.467 -0.852 1
1 172 . 8 1 1 A 14 14 ASP CB C 14 41.351 43.657 -2.306 1
1 175 . 8 1 1 A 14 14 ASP C C 14 176.125 174.217 1.908 1
1 176 . 8 1 1 A 15 15 TYR N N 15 120.102 123.883 -3.781 1
1 177 . 8 1 1 A 15 15 TYR H H 15 8.733 8.995 -0.262 1
1 178 . 8 1 1 A 15 15 TYR CA C 15 59.669 57.371 2.298 1
1 179 . 8 1 1 A 15 15 TYR HA H 15 4.662 5.123 -0.461 1
1 180 . 8 1 1 A 15 15 TYR CB C 15 43.400 41.981 1.419 1
1 191 . 8 1 1 A 15 15 TYR C C 15 172.803 173.318 -0.515 1
1 192 . 8 1 1 A 16 16 GLN N N 16 126.945 124.740 2.205 1
1 193 . 8 1 1 A 16 16 GLN H H 16 7.546 7.979 -0.433 1
1 194 . 8 1 1 A 16 16 GLN CA C 16 53.820 55.451 -1.631 1
1 195 . 8 1 1 A 16 16 GLN HA H 16 4.500 4.862 -0.362 1
1 196 . 8 1 1 A 16 16 GLN CB C 16 29.378 30.551 -1.173 1
1 202 . 8 1 1 A 16 16 GLN C C 16 173.910 174.426 -0.516 1
1 203 . 8 1 1 A 17 17 GLU N N 17 123.035 124.325 -1.290 1
1 204 . 8 1 1 A 17 17 GLU H H 17 7.930 8.925 -0.995 1
1 205 . 8 1 1 A 17 17 GLU CA C 17 56.078 56.828 -0.750 1
1 206 . 8 1 1 A 17 17 GLU HA H 17 4.211 4.261 -0.050 1
1 207 . 8 1 1 A 17 17 GLU CB C 17 29.520 30.170 -0.650 1
1 213 . 8 1 1 A 17 17 GLU C C 17 175.926 177.039 -1.113 1
1 214 . 8 1 1 A 18 18 LYS N N 18 120.770 119.574 1.196 1
1 215 . 8 1 1 A 18 18 LYS H H 18 8.801 8.817 -0.016 1
1 216 . 8 1 1 A 18 18 LYS CA C 18 55.164 56.157 -0.993 1
1 217 . 8 1 1 A 18 18 LYS HA H 18 4.424 4.624 -0.200 1
1 218 . 8 1 1 A 18 18 LYS CB C 18 33.328 34.070 -0.742 1
1 230 . 8 1 1 A 18 18 LYS C C 18 176.192 175.735 0.457 1
1 231 . 8 1 1 A 19 19 SER N N 19 114.841 111.909 2.932 1
1 232 . 8 1 1 A 19 19 SER H H 19 7.619 7.564 0.055 1
1 233 . 8 1 1 A 19 19 SER CA C 19 56.678 55.303 1.375 1
1 234 . 8 1 1 A 19 19 SER HA H 19 4.863 5.053 -0.190 1
1 235 . 8 1 1 A 19 19 SER CB C 19 64.060 65.636 -1.576 1
1 239 . 8 1 1 A 20 20 PRO CA C 20 64.803 64.493 0.310 1
1 240 . 8 1 1 A 20 20 PRO HA H 20 4.549 4.540 0.009 1
1 241 . 8 1 1 A 20 20 PRO CB C 20 31.894 31.802 0.092 1
1 249 . 8 1 1 A 20 20 PRO C C 20 176.679 177.292 -0.613 1
1 250 . 8 1 1 A 21 21 ARG N N 21 113.864 117.403 -3.539 1
1 251 . 8 1 1 A 21 21 ARG H H 21 7.687 7.916 -0.229 1
1 252 . 8 1 1 A 21 21 ARG CA C 21 56.119 56.047 0.072 1
1 253 . 8 1 1 A 21 21 ARG HA H 21 4.598 4.660 -0.062 1
1 254 . 8 1 1 A 21 21 ARG CB C 21 30.299 30.794 -0.495 1
1 263 . 8 1 1 A 21 21 ARG C C 21 176.369 175.655 0.714 1
1 264 . 8 1 1 A 22 22 GLU N N 22 121.539 120.444 1.095 1
1 265 . 8 1 1 A 22 22 GLU H H 22 7.842 7.314 0.528 1
1 266 . 8 1 1 A 22 22 GLU CA C 22 54.951 55.233 -0.282 1
1 267 . 8 1 1 A 22 22 GLU HA H 22 5.484 5.091 0.393 1
1 268 . 8 1 1 A 22 22 GLU CB C 22 33.535 33.653 -0.118 1
1 274 . 8 1 1 A 22 22 GLU C C 22 174.375 174.772 -0.397 1
1 275 . 8 1 1 A 23 23 VAL N N 23 111.923 118.753 -6.830 1
1 276 . 8 1 1 A 23 23 VAL H H 23 7.373 8.867 -1.494 1
1 277 . 8 1 1 A 23 23 VAL CA C 23 59.570 60.069 -0.499 1
1 278 . 8 1 1 A 23 23 VAL HA H 23 4.531 5.453 -0.922 1
1 279 . 8 1 1 A 23 23 VAL CB C 23 34.667 35.577 -0.910 1
1 289 . 8 1 1 A 23 23 VAL C C 23 172.625 173.916 -1.291 1
1 290 . 8 1 1 A 24 24 THR N N 24 117.656 115.539 2.117 1
1 291 . 8 1 1 A 24 24 THR H H 24 7.112 8.819 -1.707 1
1 292 . 8 1 1 A 24 24 THR CA C 24 61.994 60.668 1.326 1
1 293 . 8 1 1 A 24 24 THR HA H 24 5.119 5.113 0.006 1
1 294 . 8 1 1 A 24 24 THR CB C 24 71.220 70.366 0.854 1
1 300 . 8 1 1 A 24 24 THR C C 24 174.309 172.434 1.875 1
1 301 . 8 1 1 A 25 25 MET N N 25 122.056 121.536 0.520 1
1 302 . 8 1 1 A 25 25 MET H H 25 9.515 8.849 0.666 1
1 303 . 8 1 1 A 25 25 MET CA C 25 54.247 53.959 0.288 1
1 304 . 8 1 1 A 25 25 MET HA H 25 4.935 5.076 -0.141 1
1 305 . 8 1 1 A 25 25 MET CB C 25 36.287 35.625 0.662 1
1 312 . 8 1 1 A 25 25 MET C C 25 173.777 173.629 0.148 1
1 313 . 8 1 1 A 26 26 LYS N N 26 124.668 118.194 6.474 1
1 314 . 8 1 1 A 26 26 LYS H H 26 8.949 8.530 0.419 1
1 315 . 8 1 1 A 26 26 LYS CA C 26 53.476 54.123 -0.647 1
1 316 . 8 1 1 A 26 26 LYS HA H 26 4.896 5.198 -0.302 1
1 317 . 8 1 1 A 26 26 LYS CB C 26 34.097 36.325 -2.228 1
1 327 . 8 1 1 A 26 26 LYS C C 26 174.929 176.496 -1.567 1
1 328 . 8 1 1 A 27 27 LYS N N 27 122.567 121.540 1.027 1
1 329 . 8 1 1 A 27 27 LYS H H 27 9.061 8.678 0.383 1
1 330 . 8 1 1 A 27 27 LYS CA C 27 58.539 58.690 -0.151 1
1 331 . 8 1 1 A 27 27 LYS HA H 27 4.656 3.827 0.829 1
1 332 . 8 1 1 A 27 27 LYS CB C 27 32.202 32.095 0.107 1
1 344 . 8 1 1 A 27 27 LYS C C 27 177.344 177.303 0.041 1
1 345 . 8 1 1 A 28 28 GLY N N 28 115.884 112.514 3.370 1
1 346 . 8 1 1 A 28 28 GLY H H 28 8.900 9.068 -0.168 1
1 347 . 8 1 1 A 28 28 GLY CA C 28 44.779 45.255 -0.476 1
1 348 . 8 1 1 A 28 28 GLY HA2 H 28 3.523 3.939 -0.416 1
1 349 . 8 1 1 A 28 28 GLY HA3 H 28 4.469 3.940 0.529 1
1 350 . 8 1 1 A 28 28 GLY C C 28 174.021 173.951 0.070 1
1 351 . 8 1 1 A 29 29 ASP N N 29 122.466 120.407 2.059 1
1 352 . 8 1 1 A 29 29 ASP H H 29 8.513 8.020 0.493 1
1 353 . 8 1 1 A 29 29 ASP CA C 29 55.711 53.315 2.396 1
1 354 . 8 1 1 A 29 29 ASP HA H 29 4.523 4.903 -0.380 1
1 355 . 8 1 1 A 29 29 ASP CB C 29 41.361 41.924 -0.563 1
1 358 . 8 1 1 A 29 29 ASP C C 29 174.331 175.181 -0.850 1
1 359 . 8 1 1 A 30 30 ILE N N 30 120.470 123.208 -2.738 1
1 360 . 8 1 1 A 30 30 ILE H H 30 8.204 9.051 -0.847 1
1 361 . 8 1 1 A 30 30 ILE CA C 30 60.164 59.898 0.266 1
1 362 . 8 1 1 A 30 30 ILE HA H 30 5.025 5.191 -0.166 1
1 363 . 8 1 1 A 30 30 ILE CB C 30 38.257 40.952 -2.695 1
1 372 . 8 1 1 A 30 30 ILE C C 30 176.236 175.248 0.988 1
1 373 . 8 1 1 A 31 31 LEU N N 31 128.265 125.917 2.348 1
1 374 . 8 1 1 A 31 31 LEU H H 31 9.353 8.921 0.432 1
1 375 . 8 1 1 A 31 31 LEU CA C 31 53.601 53.401 0.200 1
1 376 . 8 1 1 A 31 31 LEU HA H 31 4.998 5.024 -0.026 1
1 377 . 8 1 1 A 31 31 LEU CB C 31 43.893 45.616 -1.723 1
1 388 . 8 1 1 A 31 31 LEU C C 31 175.638 176.299 -0.661 1
1 389 . 8 1 1 A 32 32 THR N N 32 117.089 119.524 -2.435 1
1 390 . 8 1 1 A 32 32 THR H H 32 8.141 8.698 -0.557 1
1 391 . 8 1 1 A 32 32 THR CA C 32 63.263 63.436 -0.173 1
1 392 . 8 1 1 A 32 32 THR HA H 32 4.619 4.583 0.036 1
1 393 . 8 1 1 A 32 32 THR CB C 32 69.867 68.968 0.899 1
1 399 . 8 1 1 A 32 32 THR C C 32 173.600 174.692 -1.092 1
1 400 . 8 1 1 A 33 33 LEU N N 33 129.212 128.594 0.618 1
1 401 . 8 1 1 A 33 33 LEU H H 33 9.070 8.467 0.603 1
1 402 . 8 1 1 A 33 33 LEU CA C 33 54.671 56.280 -1.609 1
1 403 . 8 1 1 A 33 33 LEU HA H 33 4.356 4.346 0.010 1
1 404 . 8 1 1 A 33 33 LEU CB C 33 42.968 42.334 0.634 1
1 417 . 8 1 1 A 33 33 LEU C C 33 174.553 176.092 -1.539 1
1 418 . 8 1 1 A 34 34 LEU N N 34 125.880 127.397 -1.517 1
1 419 . 8 1 1 A 34 34 LEU H H 34 9.051 9.365 -0.314 1
1 420 . 8 1 1 A 34 34 LEU CA C 34 54.811 55.820 -1.009 1
1 421 . 8 1 1 A 34 34 LEU HA H 34 4.532 4.479 0.053 1
1 422 . 8 1 1 A 34 34 LEU CB C 34 42.977 43.629 -0.652 1
1 434 . 8 1 1 A 34 34 LEU C C 34 177.477 176.964 0.513 1
1 435 . 8 1 1 A 35 35 ASN N N 35 113.971 116.500 -2.529 1
1 436 . 8 1 1 A 35 35 ASN H H 35 7.600 7.947 -0.347 1
1 437 . 8 1 1 A 35 35 ASN CA C 35 54.543 52.700 1.843 1
1 438 . 8 1 1 A 35 35 ASN HA H 35 4.680 5.047 -0.367 1
1 439 . 8 1 1 A 35 35 ASN CB C 35 40.958 42.241 -1.283 1
1 443 . 8 1 1 A 35 35 ASN C C 35 174.375 173.660 0.715 1
1 444 . 8 1 1 A 36 36 SER N N 36 123.815 118.223 5.592 1
1 445 . 8 1 1 A 36 36 SER H H 36 9.194 8.484 0.710 1
1 446 . 8 1 1 A 36 36 SER CA C 36 56.692 56.669 0.023 1
1 447 . 8 1 1 A 36 36 SER HA H 36 3.921 4.764 -0.843 1
1 448 . 8 1 1 A 36 36 SER CB C 36 62.180 62.956 -0.776 1
1 451 . 8 1 1 A 36 36 SER C C 36 173.401 175.307 -1.906 1
1 452 . 8 1 1 A 37 37 THR N N 37 115.041 115.775 -0.734 1
1 453 . 8 1 1 A 37 37 THR H H 37 8.178 7.724 0.454 1
1 454 . 8 1 1 A 37 37 THR CA C 37 65.484 65.190 0.294 1
1 455 . 8 1 1 A 37 37 THR HA H 37 4.528 4.026 0.502 1
1 456 . 8 1 1 A 37 37 THR CB C 37 69.416 69.120 0.296 1
1 462 . 8 1 1 A 37 37 THR C C 37 175.261 174.507 0.754 1
1 463 . 8 1 1 A 38 38 ASN N N 38 122.494 118.964 3.530 1
1 464 . 8 1 1 A 38 38 ASN H H 38 8.674 8.081 0.593 1
1 465 . 8 1 1 A 38 38 ASN CA C 38 53.188 52.101 1.087 1
1 466 . 8 1 1 A 38 38 ASN HA H 38 4.863 5.061 -0.198 1
1 467 . 8 1 1 A 38 38 ASN CB C 38 40.525 41.076 -0.551 1
1 470 . 8 1 1 A 38 38 ASN C C 38 174.575 175.928 -1.353 1
1 471 . 8 1 1 A 39 39 LYS N N 39 120.915 121.692 -0.777 1
1 472 . 8 1 1 A 39 39 LYS H H 39 8.510 8.511 -0.001 1
1 473 . 8 1 1 A 39 39 LYS CA C 39 58.333 56.971 1.362 1
1 474 . 8 1 1 A 39 39 LYS HA H 39 4.247 4.971 -0.724 1
1 475 . 8 1 1 A 39 39 LYS CB C 39 32.520 34.549 -2.029 1
1 485 . 8 1 1 A 39 39 LYS C C 39 176.236 177.934 -1.698 1
1 486 . 8 1 1 A 40 40 ASP N N 40 114.628 118.133 -3.505 1
1 487 . 8 1 1 A 40 40 ASP H H 40 8.173 7.718 0.455 1
1 488 . 8 1 1 A 40 40 ASP CA C 40 55.380 56.006 -0.626 1
1 489 . 8 1 1 A 40 40 ASP HA H 40 4.544 4.263 0.281 1
1 490 . 8 1 1 A 40 40 ASP CB C 40 43.415 42.162 1.253 1
1 493 . 8 1 1 A 40 40 ASP C C 40 176.967 175.815 1.152 1
1 494 . 8 1 1 A 41 41 TRP N N 41 122.703 115.332 7.371 1
1 495 . 8 1 1 A 41 41 TRP H H 41 8.209 7.676 0.533 1
1 496 . 8 1 1 A 41 41 TRP CA C 41 56.184 56.026 0.158 1
1 497 . 8 1 1 A 41 41 TRP HA H 41 5.075 5.385 -0.310 1
1 498 . 8 1 1 A 41 41 TRP CB C 41 32.019 33.332 -1.313 1
1 513 . 8 1 1 A 41 41 TRP C C 41 174.176 175.358 -1.182 1
1 514 . 8 1 1 A 42 42 TRP N N 42 124.895 122.734 2.161 1
1 515 . 8 1 1 A 42 42 TRP H H 42 9.366 9.117 0.249 1
1 516 . 8 1 1 A 42 42 TRP CA C 42 54.076 55.931 -1.855 1
1 517 . 8 1 1 A 42 42 TRP HA H 42 5.523 5.510 0.013 1
1 518 . 8 1 1 A 42 42 TRP CB C 42 31.447 32.708 -1.261 1
1 533 . 8 1 1 A 42 42 TRP C C 42 174.109 175.226 -1.117 1
1 534 . 8 1 1 A 43 43 LYS N N 43 124.120 124.076 0.044 1
1 535 . 8 1 1 A 43 43 LYS H H 43 8.883 8.987 -0.104 1
1 536 . 8 1 1 A 43 43 LYS CA C 43 55.158 55.307 -0.149 1
1 537 . 8 1 1 A 43 43 LYS HA H 43 4.368 4.985 -0.617 1
1 538 . 8 1 1 A 43 43 LYS CB C 43 33.794 33.575 0.219 1
1 550 . 8 1 1 A 43 43 LYS C C 43 175.416 175.997 -0.581 1
1 551 . 8 1 1 A 44 44 VAL N N 44 122.055 121.072 0.983 1
1 552 . 8 1 1 A 44 44 VAL H H 44 9.427 9.069 0.358 1
1 553 . 8 1 1 A 44 44 VAL CA C 44 58.825 58.898 -0.073 1
1 554 . 8 1 1 A 44 44 VAL HA H 44 5.375 5.132 0.243 1
1 555 . 8 1 1 A 44 44 VAL CB C 44 36.593 35.195 1.398 1
1 565 . 8 1 1 A 44 44 VAL C C 44 173.223 173.500 -0.277 1
1 566 . 8 1 1 A 45 45 GLU N N 45 118.673 122.385 -3.712 1
1 567 . 8 1 1 A 45 45 GLU H H 45 8.733 8.999 -0.266 1
1 568 . 8 1 1 A 45 45 GLU CA C 45 54.249 54.838 -0.589 1
1 569 . 8 1 1 A 45 45 GLU HA H 45 5.432 5.191 0.241 1
1 570 . 8 1 1 A 45 45 GLU CB C 45 33.286 32.830 0.456 1
1 576 . 8 1 1 A 45 45 GLU C C 45 174.774 175.012 -0.238 1
1 577 . 8 1 1 A 46 46 VAL N N 46 123.551 126.432 -2.881 1
1 578 . 8 1 1 A 46 46 VAL H H 46 9.058 9.274 -0.216 1
1 579 . 8 1 1 A 46 46 VAL CA C 46 59.627 60.434 -0.807 1
1 580 . 8 1 1 A 46 46 VAL HA H 46 4.669 4.993 -0.324 1
1 581 . 8 1 1 A 46 46 VAL CB C 46 35.290 34.751 0.539 1
1 590 . 8 1 1 A 46 46 VAL C C 46 173.534 174.726 -1.192 1
1 591 . 8 1 1 A 47 47 LYS N N 47 124.992 124.492 0.500 1
1 592 . 8 1 1 A 47 47 LYS H H 47 8.446 8.494 -0.048 1
1 593 . 8 1 1 A 47 47 LYS CA C 47 55.905 55.064 0.841 1
1 594 . 8 1 1 A 47 47 LYS HA H 47 4.763 4.951 -0.188 1
1 595 . 8 1 1 A 47 47 LYS CB C 47 33.450 34.843 -1.393 1
1 605 . 8 1 1 A 47 47 LYS C C 47 175.306 175.541 -0.235 1
1 606 . 8 1 1 A 48 48 ALA N N 48 128.781 124.276 4.505 1
1 607 . 8 1 1 A 48 48 ALA H H 48 8.757 8.586 0.171 1
1 608 . 8 1 1 A 48 48 ALA CA C 48 50.828 50.380 0.448 1
1 609 . 8 1 1 A 48 48 ALA HA H 48 4.616 4.856 -0.240 1
1 613 . 8 1 1 A 48 48 ALA CB C 48 21.741 23.464 -1.723 1
1 614 . 8 1 1 A 48 48 ALA C C 48 175.173 174.908 0.265 1
1 615 . 8 1 1 A 49 49 THR N N 49 113.585 114.831 -1.246 1
1 616 . 8 1 1 A 49 49 THR H H 49 8.333 8.362 -0.029 1
1 617 . 8 1 1 A 49 49 THR CA C 49 60.826 60.905 -0.079 1
1 618 . 8 1 1 A 49 49 THR HA H 49 5.257 5.471 -0.214 1
1 619 . 8 1 1 A 49 49 THR CB C 49 71.045 71.578 -0.533 1
1 624 . 8 1 1 A 49 49 THR C C 49 174.176 173.211 0.965 1
1 625 . 8 1 1 A 50 50 ALA N N 50 127.142 126.073 1.069 1
1 626 . 8 1 1 A 50 50 ALA H H 50 8.914 9.067 -0.153 1
1 627 . 8 1 1 A 50 50 ALA CA C 50 52.345 51.681 0.664 1
1 628 . 8 1 1 A 50 50 ALA HA H 50 4.603 4.602 0.001 1
1 632 . 8 1 1 A 50 50 ALA CB C 50 20.935 22.659 -1.724 1
1 633 . 8 1 1 A 50 50 ALA C C 50 177.299 175.770 1.529 1
1 634 . 8 1 1 A 51 51 ASN N N 51 121.555 121.346 0.209 1
1 635 . 8 1 1 A 51 51 ASN H H 51 9.491 9.324 0.167 1
1 636 . 8 1 1 A 51 51 ASN CA C 51 54.177 54.465 -0.288 1
1 637 . 8 1 1 A 51 51 ASN HA H 51 4.389 4.448 -0.059 1
1 638 . 8 1 1 A 51 51 ASN CB C 51 37.413 37.287 0.126 1
1 641 . 8 1 1 A 51 51 ASN C C 51 175.106 175.631 -0.525 1
1 642 . 8 1 1 A 52 52 GLY N N 52 103.942 103.881 0.061 1
1 643 . 8 1 1 A 52 52 GLY H H 52 8.681 8.689 -0.008 1
1 644 . 8 1 1 A 52 52 GLY CA C 52 45.443 45.982 -0.539 1
1 645 . 8 1 1 A 52 52 GLY HA2 H 52 3.624 3.880 -0.256 1
1 646 . 8 1 1 A 52 52 GLY HA3 H 52 4.143 3.884 0.259 1
1 647 . 8 1 1 A 52 52 GLY C C 52 173.666 173.934 -0.268 1
1 648 . 8 1 1 A 53 53 LYS N N 53 121.213 120.137 1.076 1
1 649 . 8 1 1 A 53 53 LYS H H 53 7.893 7.940 -0.047 1
1 650 . 8 1 1 A 53 53 LYS CA C 53 54.807 54.292 0.515 1
1 651 . 8 1 1 A 53 53 LYS HA H 53 4.727 4.962 -0.235 1
1 652 . 8 1 1 A 53 53 LYS CB C 53 34.737 36.298 -1.561 1
1 664 . 8 1 1 A 53 53 LYS C C 53 175.239 174.981 0.258 1
1 665 . 8 1 1 A 54 54 THR N N 54 118.501 112.407 6.094 1
1 666 . 8 1 1 A 54 54 THR H H 54 8.498 8.905 -0.407 1
1 667 . 8 1 1 A 54 54 THR CA C 54 61.925 60.335 1.590 1
1 668 . 8 1 1 A 54 54 THR HA H 54 5.117 5.697 -0.580 1
1 669 . 8 1 1 A 54 54 THR CB C 54 70.294 70.667 -0.373 1
1 675 . 8 1 1 A 54 54 THR C C 54 173.733 173.846 -0.113 1
1 676 . 8 1 1 A 55 55 TYR N N 55 125.105 119.481 5.624 1
1 677 . 8 1 1 A 55 55 TYR H H 55 9.122 9.023 0.099 1
1 678 . 8 1 1 A 55 55 TYR CA C 55 56.149 55.215 0.934 1
1 679 . 8 1 1 A 55 55 TYR HA H 55 4.857 5.562 -0.705 1
1 680 . 8 1 1 A 55 55 TYR CB C 55 40.090 42.267 -2.177 1
1 691 . 8 1 1 A 55 55 TYR C C 55 172.847 172.803 0.044 1
1 692 . 8 1 1 A 56 56 GLU N N 56 119.744 120.227 -0.483 1
1 693 . 8 1 1 A 56 56 GLU H H 56 8.503 8.872 -0.369 1
1 694 . 8 1 1 A 56 56 GLU CA C 56 54.739 54.924 -0.185 1
1 695 . 8 1 1 A 56 56 GLU HA H 56 5.030 5.449 -0.419 1
1 696 . 8 1 1 A 56 56 GLU CB C 56 30.297 32.976 -2.679 1
1 701 . 8 1 1 A 56 56 GLU C C 56 175.394 175.866 -0.472 1
1 702 . 8 1 1 A 57 57 ARG N N 57 123.665 120.806 2.859 1
1 703 . 8 1 1 A 57 57 ARG H H 57 8.897 9.186 -0.289 1
1 704 . 8 1 1 A 57 57 ARG CA C 57 54.944 54.513 0.431 1
1 705 . 8 1 1 A 57 57 ARG HA H 57 4.663 5.061 -0.398 1
1 706 . 8 1 1 A 57 57 ARG CB C 57 33.471 33.641 -0.170 1
1 713 . 8 1 1 A 57 57 ARG C C 57 174.198 174.350 -0.152 1
1 714 . 8 1 1 A 58 58 GLN N N 58 119.967 123.009 -3.042 1
1 715 . 8 1 1 A 58 58 GLN H H 58 8.604 8.622 -0.018 1
1 716 . 8 1 1 A 58 58 GLN CA C 58 53.394 55.034 -1.640 1
1 717 . 8 1 1 A 58 58 GLN HA H 58 5.602 5.002 0.600 1
1 718 . 8 1 1 A 58 58 GLN CB C 58 31.229 29.995 1.234 1
1 724 . 8 1 1 A 58 58 GLN C C 58 175.771 175.745 0.026 1
1 725 . 8 1 1 A 59 59 GLY N N 59 107.507 109.020 -1.513 1
1 726 . 8 1 1 A 59 59 GLY H H 59 8.652 8.877 -0.225 1
1 727 . 8 1 1 A 59 59 GLY CA C 59 45.583 45.373 0.210 1
1 728 . 8 1 1 A 59 59 GLY HA2 H 59 3.947 4.186 -0.239 1
1 729 . 8 1 1 A 59 59 GLY HA3 H 59 3.947 4.328 -0.381 1
1 730 . 8 1 1 A 59 59 GLY C C 59 170.255 171.806 -1.551 1
1 731 . 8 1 1 A 60 60 PHE N N 60 119.079 119.358 -0.279 1
1 732 . 8 1 1 A 60 60 PHE H H 60 9.153 8.689 0.464 1
1 733 . 8 1 1 A 60 60 PHE CA C 60 58.544 56.490 2.054 1
1 734 . 8 1 1 A 60 60 PHE HA H 60 5.666 5.798 -0.132 1
1 735 . 8 1 1 A 60 60 PHE CB C 60 42.484 42.240 0.244 1
1 748 . 8 1 1 A 60 60 PHE C C 60 175.461 175.569 -0.108 1
1 749 . 8 1 1 A 61 61 VAL N N 61 110.995 116.873 -5.878 1
1 750 . 8 1 1 A 61 61 VAL H H 61 9.065 9.165 -0.100 1
1 751 . 8 1 1 A 61 61 VAL CA C 61 58.189 58.211 -0.022 1
1 752 . 8 1 1 A 61 61 VAL HA H 61 4.823 4.996 -0.173 1
1 753 . 8 1 1 A 61 61 VAL CB C 61 33.521 34.546 -1.025 1
1 764 . 8 1 1 A 62 62 PRO CA C 62 61.852 61.826 0.026 1
1 765 . 8 1 1 A 62 62 PRO HA H 62 3.556 3.622 -0.066 1
1 766 . 8 1 1 A 62 62 PRO CB C 62 29.777 30.713 -0.936 1
1 774 . 8 1 1 A 62 62 PRO C C 62 177.787 177.293 0.494 1
1 775 . 8 1 1 A 63 63 ALA N N 63 129.142 127.766 1.376 1
1 776 . 8 1 1 A 63 63 ALA H H 63 7.477 8.176 -0.699 1
1 777 . 8 1 1 A 63 63 ALA CA C 63 54.472 53.520 0.952 1
1 778 . 8 1 1 A 63 63 ALA HA H 63 2.652 3.020 -0.368 1
1 782 . 8 1 1 A 63 63 ALA CB C 63 15.666 17.040 -1.374 1
1 783 . 8 1 1 A 63 63 ALA C C 63 178.429 178.544 -0.115 1
1 784 . 8 1 1 A 64 64 ALA N N 64 113.522 119.198 -5.676 1
1 785 . 8 1 1 A 64 64 ALA H H 64 7.867 7.152 0.715 1
1 786 . 8 1 1 A 64 64 ALA CA C 64 52.768 54.052 -1.284 1
1 787 . 8 1 1 A 64 64 ALA HA H 64 4.006 3.853 0.153 1
1 791 . 8 1 1 A 64 64 ALA CB C 64 17.629 17.837 -0.208 1
1 792 . 8 1 1 A 64 64 ALA C C 64 178.097 178.115 -0.018 1
1 793 . 8 1 1 A 65 65 TYR N N 65 116.109 116.227 -0.118 1
1 794 . 8 1 1 A 65 65 TYR H H 65 7.698 7.637 0.061 1
1 795 . 8 1 1 A 65 65 TYR CA C 65 56.328 58.923 -2.595 1
1 796 . 8 1 1 A 65 65 TYR HA H 65 4.758 4.783 -0.025 1
1 797 . 8 1 1 A 65 65 TYR CB C 65 37.765 39.916 -2.151 1
1 808 . 8 1 1 A 65 65 TYR C C 65 174.375 175.627 -1.252 1
1 809 . 8 1 1 A 66 66 VAL N N 66 111.053 114.412 -3.359 1
1 810 . 8 1 1 A 66 66 VAL H H 66 7.415 7.104 0.311 1
1 811 . 8 1 1 A 66 66 VAL CA C 66 58.119 59.014 -0.895 1
1 812 . 8 1 1 A 66 66 VAL HA H 66 5.538 5.177 0.361 1
1 813 . 8 1 1 A 66 66 VAL CB C 66 35.809 34.983 0.826 1
1 823 . 8 1 1 A 66 66 VAL C C 66 173.511 173.986 -0.475 1
1 824 . 8 1 1 A 67 67 LYS N N 67 118.588 123.593 -5.005 1
1 825 . 8 1 1 A 67 67 LYS H H 67 8.631 9.050 -0.419 1
1 826 . 8 1 1 A 67 67 LYS CA C 67 54.035 54.563 -0.528 1
1 827 . 8 1 1 A 67 67 LYS HA H 67 4.830 5.562 -0.732 1
1 828 . 8 1 1 A 67 67 LYS CB C 67 36.779 36.331 0.448 1
1 838 . 8 1 1 A 67 67 LYS C C 67 175.992 176.046 -0.054 1
1 839 . 8 1 1 A 68 68 LYS N N 68 125.838 122.583 3.255 1
1 840 . 8 1 1 A 68 68 LYS H H 68 9.227 8.593 0.634 1
1 841 . 8 1 1 A 68 68 LYS CA C 68 58.335 56.325 2.010 1
1 842 . 8 1 1 A 68 68 LYS HA H 68 4.494 4.309 0.185 1
1 843 . 8 1 1 A 68 68 LYS CB C 68 32.893 32.760 0.133 1
1 853 . 8 1 1 A 68 68 LYS C C 68 176.657 177.350 -0.693 1
1 854 . 8 1 1 A 69 69 LEU N N 69 125.443 121.939 3.504 1
1 855 . 8 1 1 A 69 69 LEU H H 69 8.449 8.605 -0.156 1
1 856 . 8 1 1 A 69 69 LEU CA C 69 54.873 54.268 0.605 1
1 857 . 8 1 1 A 69 69 LEU HA H 69 4.437 4.695 -0.258 1
1 858 . 8 1 1 A 69 69 LEU CB C 69 42.345 41.141 1.204 1
1 871 . 8 1 1 A 69 69 LEU C C 69 176.147 176.380 -0.233 1
1 10 . 9 1 1 A 2 2 ASP N N 2 123.485 117.118 6.367 1
1 11 . 9 1 1 A 2 2 ASP H H 2 8.809 8.730 0.079 1
1 12 . 9 1 1 A 2 2 ASP CA C 2 54.244 55.111 -0.867 1
1 13 . 9 1 1 A 2 2 ASP HA H 2 4.673 4.124 0.549 1
1 14 . 9 1 1 A 2 2 ASP CB C 2 40.452 39.373 1.079 1
1 17 . 9 1 1 A 2 2 ASP C C 2 175.771 175.266 0.505 1
1 18 . 9 1 1 A 3 3 GLU N N 3 121.725 118.322 3.403 1
1 19 . 9 1 1 A 3 3 GLU H H 3 8.684 7.910 0.774 1
1 20 . 9 1 1 A 3 3 GLU CA C 3 56.162 55.537 0.625 1
1 21 . 9 1 1 A 3 3 GLU HA H 3 4.392 4.477 -0.085 1
1 22 . 9 1 1 A 3 3 GLU CB C 3 29.170 28.307 0.863 1
1 28 . 9 1 1 A 3 3 GLU C C 3 176.546 175.156 1.390 1
1 29 . 9 1 1 A 4 4 THR N N 4 114.384 113.674 0.710 1
1 30 . 9 1 1 A 4 4 THR H H 4 8.303 8.028 0.275 1
1 31 . 9 1 1 A 4 4 THR CA C 4 62.347 60.982 1.365 1
1 32 . 9 1 1 A 4 4 THR HA H 4 4.278 4.960 -0.682 1
1 33 . 9 1 1 A 4 4 THR CB C 4 69.672 71.148 -1.476 1
1 39 . 9 1 1 A 4 4 THR C C 4 175.306 173.339 1.967 1
1 40 . 9 1 1 A 5 5 GLY N N 5 111.296 112.151 -0.855 1
1 41 . 9 1 1 A 5 5 GLY H H 5 8.422 8.527 -0.105 1
1 42 . 9 1 1 A 5 5 GLY CA C 5 45.302 45.157 0.145 1
1 43 . 9 1 1 A 5 5 GLY HA2 H 5 3.928 4.069 -0.141 1
1 44 . 9 1 1 A 5 5 GLY HA3 H 5 3.928 4.069 -0.141 1
1 45 . 9 1 1 A 5 5 GLY C C 5 173.689 174.624 -0.935 1
1 46 . 9 1 1 A 6 6 LYS N N 6 119.850 117.802 2.048 1
1 47 . 9 1 1 A 6 6 LYS H H 6 8.008 8.096 -0.088 1
1 48 . 9 1 1 A 6 6 LYS CA C 6 55.401 56.795 -1.394 1
1 49 . 9 1 1 A 6 6 LYS HA H 6 4.381 4.430 -0.049 1
1 50 . 9 1 1 A 6 6 LYS CB C 6 33.225 35.421 -2.196 1
1 62 . 9 1 1 A 6 6 LYS C C 6 175.948 176.558 -0.610 1
1 63 . 9 1 1 A 7 7 GLU N N 7 122.488 116.804 5.684 1
1 64 . 9 1 1 A 7 7 GLU H H 7 8.577 7.758 0.819 1
1 65 . 9 1 1 A 7 7 GLU CA C 7 55.690 56.377 -0.687 1
1 66 . 9 1 1 A 7 7 GLU HA H 7 4.495 4.655 -0.160 1
1 67 . 9 1 1 A 7 7 GLU CB C 7 30.382 31.149 -0.767 1
1 73 . 9 1 1 A 7 7 GLU C C 7 174.109 174.557 -0.448 1
1 74 . 9 1 1 A 8 8 LEU N N 8 123.063 127.086 -4.023 1
1 75 . 9 1 1 A 8 8 LEU H H 8 8.485 8.968 -0.483 1
1 76 . 9 1 1 A 8 8 LEU CA C 8 53.331 53.654 -0.323 1
1 77 . 9 1 1 A 8 8 LEU HA H 8 5.381 4.989 0.392 1
1 78 . 9 1 1 A 8 8 LEU CB C 8 45.077 43.754 1.323 1
1 91 . 9 1 1 A 8 8 LEU C C 8 177.344 176.771 0.573 1
1 92 . 9 1 1 A 9 9 VAL N N 9 111.683 119.077 -7.394 1
1 93 . 9 1 1 A 9 9 VAL H H 9 9.111 9.526 -0.415 1
1 94 . 9 1 1 A 9 9 VAL CA C 9 57.854 59.445 -1.591 1
1 95 . 9 1 1 A 9 9 VAL HA H 9 5.214 5.161 0.053 1
1 96 . 9 1 1 A 9 9 VAL CB C 9 35.864 34.432 1.432 1
1 106 . 9 1 1 A 9 9 VAL C C 9 172.404 174.130 -1.726 1
1 107 . 9 1 1 A 10 10 LEU N N 10 123.366 126.675 -3.309 1
1 108 . 9 1 1 A 10 10 LEU H H 10 8.971 9.120 -0.149 1
1 109 . 9 1 1 A 10 10 LEU CA C 10 52.445 53.567 -1.122 1
1 110 . 9 1 1 A 10 10 LEU HA H 10 5.100 5.000 0.100 1
1 111 . 9 1 1 A 10 10 LEU CB C 10 46.711 44.651 2.060 1
1 124 . 9 1 1 A 10 10 LEU C C 10 176.568 175.624 0.944 1
1 125 . 9 1 1 A 11 11 ALA N N 11 127.241 129.108 -1.867 1
1 126 . 9 1 1 A 11 11 ALA H H 11 9.160 9.110 0.050 1
1 127 . 9 1 1 A 11 11 ALA CA C 11 52.416 51.347 1.069 1
1 128 . 9 1 1 A 11 11 ALA HA H 11 4.610 4.486 0.124 1
1 132 . 9 1 1 A 11 11 ALA CB C 11 19.051 19.092 -0.041 1
1 133 . 9 1 1 A 11 11 ALA C C 11 178.252 177.661 0.591 1
1 134 . 9 1 1 A 12 12 LEU N N 12 127.842 125.694 2.148 1
1 135 . 9 1 1 A 12 12 LEU H H 12 9.257 9.038 0.219 1
1 136 . 9 1 1 A 12 12 LEU CA C 12 55.585 56.654 -1.069 1
1 137 . 9 1 1 A 12 12 LEU HA H 12 3.884 4.165 -0.281 1
1 138 . 9 1 1 A 12 12 LEU CB C 12 43.192 42.949 0.243 1
1 151 . 9 1 1 A 12 12 LEU C C 12 174.951 176.334 -1.383 1
1 152 . 9 1 1 A 13 13 TYR N N 13 111.673 115.228 -3.555 1
1 153 . 9 1 1 A 13 13 TYR H H 13 7.129 7.477 -0.348 1
1 154 . 9 1 1 A 13 13 TYR CA C 13 54.530 56.624 -2.094 1
1 155 . 9 1 1 A 13 13 TYR HA H 13 4.617 4.933 -0.316 1
1 156 . 9 1 1 A 13 13 TYR CB C 13 42.982 41.920 1.062 1
1 167 . 9 1 1 A 13 13 TYR C C 13 173.600 174.873 -1.273 1
1 168 . 9 1 1 A 14 14 ASP N N 14 117.888 119.405 -1.517 1
1 169 . 9 1 1 A 14 14 ASP H H 14 8.328 8.699 -0.371 1
1 170 . 9 1 1 A 14 14 ASP CA C 14 54.527 52.789 1.738 1
1 171 . 9 1 1 A 14 14 ASP HA H 14 4.615 5.674 -1.059 1
1 172 . 9 1 1 A 14 14 ASP CB C 14 41.351 43.060 -1.709 1
1 175 . 9 1 1 A 14 14 ASP C C 14 176.125 174.348 1.777 1
1 176 . 9 1 1 A 15 15 TYR N N 15 120.102 121.971 -1.869 1
1 177 . 9 1 1 A 15 15 TYR H H 15 8.733 8.881 -0.148 1
1 178 . 9 1 1 A 15 15 TYR CA C 15 59.669 57.109 2.560 1
1 179 . 9 1 1 A 15 15 TYR HA H 15 4.662 5.257 -0.595 1
1 180 . 9 1 1 A 15 15 TYR CB C 15 43.400 42.252 1.148 1
1 191 . 9 1 1 A 15 15 TYR C C 15 172.803 173.419 -0.616 1
1 192 . 9 1 1 A 16 16 GLN N N 16 126.945 125.212 1.733 1
1 193 . 9 1 1 A 16 16 GLN H H 16 7.546 7.830 -0.284 1
1 194 . 9 1 1 A 16 16 GLN CA C 16 53.820 55.402 -1.582 1
1 195 . 9 1 1 A 16 16 GLN HA H 16 4.500 4.880 -0.380 1
1 196 . 9 1 1 A 16 16 GLN CB C 16 29.378 31.370 -1.992 1
1 202 . 9 1 1 A 16 16 GLN C C 16 173.910 174.493 -0.583 1
1 203 . 9 1 1 A 17 17 GLU N N 17 123.035 125.014 -1.979 1
1 204 . 9 1 1 A 17 17 GLU H H 17 7.930 8.824 -0.894 1
1 205 . 9 1 1 A 17 17 GLU CA C 17 56.078 56.768 -0.690 1
1 206 . 9 1 1 A 17 17 GLU HA H 17 4.211 4.255 -0.044 1
1 207 . 9 1 1 A 17 17 GLU CB C 17 29.520 30.195 -0.675 1
1 213 . 9 1 1 A 17 17 GLU C C 17 175.926 177.096 -1.170 1
1 214 . 9 1 1 A 18 18 LYS N N 18 120.770 119.147 1.623 1
1 215 . 9 1 1 A 18 18 LYS H H 18 8.801 8.719 0.082 1
1 216 . 9 1 1 A 18 18 LYS CA C 18 55.164 55.786 -0.622 1
1 217 . 9 1 1 A 18 18 LYS HA H 18 4.424 4.661 -0.237 1
1 218 . 9 1 1 A 18 18 LYS CB C 18 33.328 33.723 -0.395 1
1 230 . 9 1 1 A 18 18 LYS C C 18 176.192 175.688 0.504 1
1 231 . 9 1 1 A 19 19 SER N N 19 114.841 111.214 3.627 1
1 232 . 9 1 1 A 19 19 SER H H 19 7.619 7.454 0.165 1
1 233 . 9 1 1 A 19 19 SER CA C 19 56.678 55.350 1.328 1
1 234 . 9 1 1 A 19 19 SER HA H 19 4.863 5.071 -0.208 1
1 235 . 9 1 1 A 19 19 SER CB C 19 64.060 65.555 -1.495 1
1 239 . 9 1 1 A 20 20 PRO CA C 20 64.803 64.540 0.263 1
1 240 . 9 1 1 A 20 20 PRO HA H 20 4.549 4.499 0.050 1
1 241 . 9 1 1 A 20 20 PRO CB C 20 31.894 31.921 -0.027 1
1 249 . 9 1 1 A 20 20 PRO C C 20 176.679 177.237 -0.558 1
1 250 . 9 1 1 A 21 21 ARG N N 21 113.864 117.541 -3.677 1
1 251 . 9 1 1 A 21 21 ARG H H 21 7.687 7.660 0.027 1
1 252 . 9 1 1 A 21 21 ARG CA C 21 56.119 55.751 0.368 1
1 253 . 9 1 1 A 21 21 ARG HA H 21 4.598 4.584 0.014 1
1 254 . 9 1 1 A 21 21 ARG CB C 21 30.299 30.982 -0.683 1
1 263 . 9 1 1 A 21 21 ARG C C 21 176.369 175.079 1.290 1
1 264 . 9 1 1 A 22 22 GLU N N 22 121.539 122.308 -0.769 1
1 265 . 9 1 1 A 22 22 GLU H H 22 7.842 7.111 0.731 1
1 266 . 9 1 1 A 22 22 GLU CA C 22 54.951 55.382 -0.431 1
1 267 . 9 1 1 A 22 22 GLU HA H 22 5.484 5.050 0.434 1
1 268 . 9 1 1 A 22 22 GLU CB C 22 33.535 33.591 -0.056 1
1 274 . 9 1 1 A 22 22 GLU C C 22 174.375 174.873 -0.498 1
1 275 . 9 1 1 A 23 23 VAL N N 23 111.923 119.683 -7.760 1
1 276 . 9 1 1 A 23 23 VAL H H 23 7.373 8.437 -1.064 1
1 277 . 9 1 1 A 23 23 VAL CA C 23 59.570 60.103 -0.533 1
1 278 . 9 1 1 A 23 23 VAL HA H 23 4.531 5.162 -0.631 1
1 279 . 9 1 1 A 23 23 VAL CB C 23 34.667 35.405 -0.738 1
1 289 . 9 1 1 A 23 23 VAL C C 23 172.625 174.101 -1.476 1
1 290 . 9 1 1 A 24 24 THR N N 24 117.656 115.420 2.236 1
1 291 . 9 1 1 A 24 24 THR H H 24 7.112 8.779 -1.667 1
1 292 . 9 1 1 A 24 24 THR CA C 24 61.994 60.730 1.264 1
1 293 . 9 1 1 A 24 24 THR HA H 24 5.119 5.157 -0.038 1
1 294 . 9 1 1 A 24 24 THR CB C 24 71.220 70.706 0.514 1
1 300 . 9 1 1 A 24 24 THR C C 24 174.309 172.241 2.068 1
1 301 . 9 1 1 A 25 25 MET N N 25 122.056 122.568 -0.512 1
1 302 . 9 1 1 A 25 25 MET H H 25 9.515 8.964 0.551 1
1 303 . 9 1 1 A 25 25 MET CA C 25 54.247 53.937 0.310 1
1 304 . 9 1 1 A 25 25 MET HA H 25 4.935 5.074 -0.139 1
1 305 . 9 1 1 A 25 25 MET CB C 25 36.287 35.701 0.586 1
1 312 . 9 1 1 A 25 25 MET C C 25 173.777 173.906 -0.129 1
1 313 . 9 1 1 A 26 26 LYS N N 26 124.668 120.638 4.030 1
1 314 . 9 1 1 A 26 26 LYS H H 26 8.949 8.990 -0.041 1
1 315 . 9 1 1 A 26 26 LYS CA C 26 53.476 54.317 -0.841 1
1 316 . 9 1 1 A 26 26 LYS HA H 26 4.896 5.029 -0.133 1
1 317 . 9 1 1 A 26 26 LYS CB C 26 34.097 36.206 -2.109 1
1 327 . 9 1 1 A 26 26 LYS C C 26 174.929 175.515 -0.586 1
1 328 . 9 1 1 A 27 27 LYS N N 27 122.567 122.146 0.421 1
1 329 . 9 1 1 A 27 27 LYS H H 27 9.061 8.381 0.680 1
1 330 . 9 1 1 A 27 27 LYS CA C 27 58.539 56.812 1.727 1
1 331 . 9 1 1 A 27 27 LYS HA H 27 4.656 4.367 0.289 1
1 332 . 9 1 1 A 27 27 LYS CB C 27 32.202 32.042 0.160 1
1 344 . 9 1 1 A 27 27 LYS C C 27 177.344 176.816 0.528 1
1 345 . 9 1 1 A 28 28 GLY N N 28 115.884 112.544 3.340 1
1 346 . 9 1 1 A 28 28 GLY H H 28 8.900 9.331 -0.431 1
1 347 . 9 1 1 A 28 28 GLY CA C 28 44.779 44.954 -0.175 1
1 348 . 9 1 1 A 28 28 GLY HA2 H 28 3.523 3.926 -0.403 1
1 349 . 9 1 1 A 28 28 GLY HA3 H 28 4.469 3.928 0.541 1
1 350 . 9 1 1 A 28 28 GLY C C 28 174.021 174.287 -0.266 1
1 351 . 9 1 1 A 29 29 ASP N N 29 122.466 120.303 2.163 1
1 352 . 9 1 1 A 29 29 ASP H H 29 8.513 8.072 0.441 1
1 353 . 9 1 1 A 29 29 ASP CA C 29 55.711 54.156 1.555 1
1 354 . 9 1 1 A 29 29 ASP HA H 29 4.523 4.892 -0.369 1
1 355 . 9 1 1 A 29 29 ASP CB C 29 41.361 42.784 -1.423 1
1 358 . 9 1 1 A 29 29 ASP C C 29 174.331 174.662 -0.331 1
1 359 . 9 1 1 A 30 30 ILE N N 30 120.470 119.672 0.798 1
1 360 . 9 1 1 A 30 30 ILE H H 30 8.204 8.360 -0.156 1
1 361 . 9 1 1 A 30 30 ILE CA C 30 60.164 60.368 -0.204 1
1 362 . 9 1 1 A 30 30 ILE HA H 30 5.025 5.304 -0.279 1
1 363 . 9 1 1 A 30 30 ILE CB C 30 38.257 42.020 -3.763 1
1 372 . 9 1 1 A 30 30 ILE C C 30 176.236 175.036 1.200 1
1 373 . 9 1 1 A 31 31 LEU N N 31 128.265 126.522 1.743 1
1 374 . 9 1 1 A 31 31 LEU H H 31 9.353 8.844 0.509 1
1 375 . 9 1 1 A 31 31 LEU CA C 31 53.601 53.825 -0.224 1
1 376 . 9 1 1 A 31 31 LEU HA H 31 4.998 5.063 -0.065 1
1 377 . 9 1 1 A 31 31 LEU CB C 31 43.893 45.385 -1.492 1
1 388 . 9 1 1 A 31 31 LEU C C 31 175.638 175.812 -0.174 1
1 389 . 9 1 1 A 32 32 THR N N 32 117.089 119.566 -2.477 1
1 390 . 9 1 1 A 32 32 THR H H 32 8.141 8.680 -0.539 1
1 391 . 9 1 1 A 32 32 THR CA C 32 63.263 62.609 0.654 1
1 392 . 9 1 1 A 32 32 THR HA H 32 4.619 4.450 0.169 1
1 393 . 9 1 1 A 32 32 THR CB C 32 69.867 69.288 0.579 1
1 399 . 9 1 1 A 32 32 THR C C 32 173.600 174.455 -0.855 1
1 400 . 9 1 1 A 33 33 LEU N N 33 129.212 129.043 0.169 1
1 401 . 9 1 1 A 33 33 LEU H H 33 9.070 8.690 0.380 1
1 402 . 9 1 1 A 33 33 LEU CA C 33 54.671 56.319 -1.648 1
1 403 . 9 1 1 A 33 33 LEU HA H 33 4.356 4.334 0.022 1
1 404 . 9 1 1 A 33 33 LEU CB C 33 42.968 42.356 0.612 1
1 417 . 9 1 1 A 33 33 LEU C C 33 174.553 176.071 -1.518 1
1 418 . 9 1 1 A 34 34 LEU N N 34 125.880 127.178 -1.298 1
1 419 . 9 1 1 A 34 34 LEU H H 34 9.051 9.491 -0.440 1
1 420 . 9 1 1 A 34 34 LEU CA C 34 54.811 55.886 -1.075 1
1 421 . 9 1 1 A 34 34 LEU HA H 34 4.532 4.491 0.041 1
1 422 . 9 1 1 A 34 34 LEU CB C 34 42.977 43.096 -0.119 1
1 434 . 9 1 1 A 34 34 LEU C C 34 177.477 177.210 0.267 1
1 435 . 9 1 1 A 35 35 ASN N N 35 113.971 116.161 -2.190 1
1 436 . 9 1 1 A 35 35 ASN H H 35 7.600 7.911 -0.311 1
1 437 . 9 1 1 A 35 35 ASN CA C 35 54.543 52.116 2.427 1
1 438 . 9 1 1 A 35 35 ASN HA H 35 4.680 5.157 -0.477 1
1 439 . 9 1 1 A 35 35 ASN CB C 35 40.958 41.462 -0.504 1
1 443 . 9 1 1 A 35 35 ASN C C 35 174.375 174.791 -0.416 1
1 444 . 9 1 1 A 36 36 SER N N 36 123.815 118.419 5.396 1
1 445 . 9 1 1 A 36 36 SER H H 36 9.194 8.402 0.792 1
1 446 . 9 1 1 A 36 36 SER CA C 36 56.692 56.905 -0.213 1
1 447 . 9 1 1 A 36 36 SER HA H 36 3.921 4.702 -0.781 1
1 448 . 9 1 1 A 36 36 SER CB C 36 62.180 62.822 -0.642 1
1 451 . 9 1 1 A 36 36 SER C C 36 173.401 175.287 -1.886 1
1 452 . 9 1 1 A 37 37 THR N N 37 115.041 115.796 -0.755 1
1 453 . 9 1 1 A 37 37 THR H H 37 8.178 7.744 0.434 1
1 454 . 9 1 1 A 37 37 THR CA C 37 65.484 65.502 -0.018 1
1 455 . 9 1 1 A 37 37 THR HA H 37 4.528 4.004 0.524 1
1 456 . 9 1 1 A 37 37 THR CB C 37 69.416 69.319 0.097 1
1 462 . 9 1 1 A 37 37 THR C C 37 175.261 175.047 0.214 1
1 463 . 9 1 1 A 38 38 ASN N N 38 122.494 119.204 3.290 1
1 464 . 9 1 1 A 38 38 ASN H H 38 8.674 7.957 0.717 1
1 465 . 9 1 1 A 38 38 ASN CA C 38 53.188 52.469 0.719 1
1 466 . 9 1 1 A 38 38 ASN HA H 38 4.863 4.960 -0.097 1
1 467 . 9 1 1 A 38 38 ASN CB C 38 40.525 40.513 0.012 1
1 470 . 9 1 1 A 38 38 ASN C C 38 174.575 175.871 -1.296 1
1 471 . 9 1 1 A 39 39 LYS N N 39 120.915 121.706 -0.791 1
1 472 . 9 1 1 A 39 39 LYS H H 39 8.510 8.509 0.001 1
1 473 . 9 1 1 A 39 39 LYS CA C 39 58.333 57.017 1.316 1
1 474 . 9 1 1 A 39 39 LYS HA H 39 4.247 5.020 -0.773 1
1 475 . 9 1 1 A 39 39 LYS CB C 39 32.520 34.435 -1.915 1
1 485 . 9 1 1 A 39 39 LYS C C 39 176.236 177.727 -1.491 1
1 486 . 9 1 1 A 40 40 ASP N N 40 114.628 118.145 -3.517 1
1 487 . 9 1 1 A 40 40 ASP H H 40 8.173 8.067 0.106 1
1 488 . 9 1 1 A 40 40 ASP CA C 40 55.380 55.855 -0.475 1
1 489 . 9 1 1 A 40 40 ASP HA H 40 4.544 4.300 0.244 1
1 490 . 9 1 1 A 40 40 ASP CB C 40 43.415 42.128 1.287 1
1 493 . 9 1 1 A 40 40 ASP C C 40 176.967 175.580 1.387 1
1 494 . 9 1 1 A 41 41 TRP N N 41 122.703 115.265 7.438 1
1 495 . 9 1 1 A 41 41 TRP H H 41 8.209 7.616 0.593 1
1 496 . 9 1 1 A 41 41 TRP CA C 41 56.184 56.075 0.109 1
1 497 . 9 1 1 A 41 41 TRP HA H 41 5.075 5.282 -0.207 1
1 498 . 9 1 1 A 41 41 TRP CB C 41 32.019 33.476 -1.457 1
1 513 . 9 1 1 A 41 41 TRP C C 41 174.176 175.301 -1.125 1
1 514 . 9 1 1 A 42 42 TRP N N 42 124.895 122.471 2.424 1
1 515 . 9 1 1 A 42 42 TRP H H 42 9.366 9.041 0.325 1
1 516 . 9 1 1 A 42 42 TRP CA C 42 54.076 56.053 -1.977 1
1 517 . 9 1 1 A 42 42 TRP HA H 42 5.523 5.511 0.012 1
1 518 . 9 1 1 A 42 42 TRP CB C 42 31.447 33.737 -2.290 1
1 533 . 9 1 1 A 42 42 TRP C C 42 174.109 175.376 -1.267 1
1 534 . 9 1 1 A 43 43 LYS N N 43 124.120 123.705 0.415 1
1 535 . 9 1 1 A 43 43 LYS H H 43 8.883 9.339 -0.456 1
1 536 . 9 1 1 A 43 43 LYS CA C 43 55.158 55.422 -0.264 1
1 537 . 9 1 1 A 43 43 LYS HA H 43 4.368 5.120 -0.752 1
1 538 . 9 1 1 A 43 43 LYS CB C 43 33.794 34.141 -0.347 1
1 550 . 9 1 1 A 43 43 LYS C C 43 175.416 175.959 -0.543 1
1 551 . 9 1 1 A 44 44 VAL N N 44 122.055 119.860 2.195 1
1 552 . 9 1 1 A 44 44 VAL H H 44 9.427 9.308 0.119 1
1 553 . 9 1 1 A 44 44 VAL CA C 44 58.825 58.711 0.114 1
1 554 . 9 1 1 A 44 44 VAL HA H 44 5.375 5.227 0.148 1
1 555 . 9 1 1 A 44 44 VAL CB C 44 36.593 35.561 1.032 1
1 565 . 9 1 1 A 44 44 VAL C C 44 173.223 173.417 -0.194 1
1 566 . 9 1 1 A 45 45 GLU N N 45 118.673 122.156 -3.483 1
1 567 . 9 1 1 A 45 45 GLU H H 45 8.733 8.972 -0.239 1
1 568 . 9 1 1 A 45 45 GLU CA C 45 54.249 54.922 -0.673 1
1 569 . 9 1 1 A 45 45 GLU HA H 45 5.432 5.378 0.054 1
1 570 . 9 1 1 A 45 45 GLU CB C 45 33.286 32.197 1.089 1
1 576 . 9 1 1 A 45 45 GLU C C 45 174.774 175.394 -0.620 1
1 577 . 9 1 1 A 46 46 VAL N N 46 123.551 121.766 1.785 1
1 578 . 9 1 1 A 46 46 VAL H H 46 9.058 9.123 -0.065 1
1 579 . 9 1 1 A 46 46 VAL CA C 46 59.627 59.524 0.103 1
1 580 . 9 1 1 A 46 46 VAL HA H 46 4.669 4.980 -0.311 1
1 581 . 9 1 1 A 46 46 VAL CB C 46 35.290 34.609 0.681 1
1 590 . 9 1 1 A 46 46 VAL C C 46 173.534 174.692 -1.158 1
1 591 . 9 1 1 A 47 47 LYS N N 47 124.992 121.794 3.198 1
1 592 . 9 1 1 A 47 47 LYS H H 47 8.446 8.557 -0.111 1
1 593 . 9 1 1 A 47 47 LYS CA C 47 55.905 54.660 1.245 1
1 594 . 9 1 1 A 47 47 LYS HA H 47 4.763 5.148 -0.385 1
1 595 . 9 1 1 A 47 47 LYS CB C 47 33.450 34.224 -0.774 1
1 605 . 9 1 1 A 47 47 LYS C C 47 175.306 175.643 -0.337 1
1 606 . 9 1 1 A 48 48 ALA N N 48 128.781 125.693 3.088 1
1 607 . 9 1 1 A 48 48 ALA H H 48 8.757 8.973 -0.216 1
1 608 . 9 1 1 A 48 48 ALA CA C 48 50.828 49.774 1.054 1
1 609 . 9 1 1 A 48 48 ALA HA H 48 4.616 5.228 -0.612 1
1 613 . 9 1 1 A 48 48 ALA CB C 48 21.741 22.302 -0.561 1
1 614 . 9 1 1 A 48 48 ALA C C 48 175.173 175.328 -0.155 1
1 615 . 9 1 1 A 49 49 THR N N 49 113.585 117.754 -4.169 1
1 616 . 9 1 1 A 49 49 THR H H 49 8.333 8.438 -0.105 1
1 617 . 9 1 1 A 49 49 THR CA C 49 60.826 61.845 -1.019 1
1 618 . 9 1 1 A 49 49 THR HA H 49 5.257 5.101 0.156 1
1 619 . 9 1 1 A 49 49 THR CB C 49 71.045 70.139 0.906 1
1 624 . 9 1 1 A 49 49 THR C C 49 174.176 173.562 0.614 1
1 625 . 9 1 1 A 50 50 ALA N N 50 127.142 127.091 0.051 1
1 626 . 9 1 1 A 50 50 ALA H H 50 8.914 8.940 -0.026 1
1 627 . 9 1 1 A 50 50 ALA CA C 50 52.345 51.745 0.600 1
1 628 . 9 1 1 A 50 50 ALA HA H 50 4.603 4.656 -0.053 1
1 632 . 9 1 1 A 50 50 ALA CB C 50 20.935 22.494 -1.559 1
1 633 . 9 1 1 A 50 50 ALA C C 50 177.299 176.111 1.188 1
1 634 . 9 1 1 A 51 51 ASN N N 51 121.555 122.491 -0.936 1
1 635 . 9 1 1 A 51 51 ASN H H 51 9.491 9.282 0.209 1
1 636 . 9 1 1 A 51 51 ASN CA C 51 54.177 54.454 -0.277 1
1 637 . 9 1 1 A 51 51 ASN HA H 51 4.389 4.436 -0.047 1
1 638 . 9 1 1 A 51 51 ASN CB C 51 37.413 37.145 0.268 1
1 641 . 9 1 1 A 51 51 ASN C C 51 175.106 175.625 -0.519 1
1 642 . 9 1 1 A 52 52 GLY N N 52 103.942 104.772 -0.830 1
1 643 . 9 1 1 A 52 52 GLY H H 52 8.681 8.720 -0.039 1
1 644 . 9 1 1 A 52 52 GLY CA C 52 45.443 45.643 -0.200 1
1 645 . 9 1 1 A 52 52 GLY HA2 H 52 3.624 3.903 -0.279 1
1 646 . 9 1 1 A 52 52 GLY HA3 H 52 4.143 3.904 0.239 1
1 647 . 9 1 1 A 52 52 GLY C C 52 173.666 173.846 -0.180 1
1 648 . 9 1 1 A 53 53 LYS N N 53 121.213 120.177 1.036 1
1 649 . 9 1 1 A 53 53 LYS H H 53 7.893 8.024 -0.131 1
1 650 . 9 1 1 A 53 53 LYS CA C 53 54.807 54.242 0.565 1
1 651 . 9 1 1 A 53 53 LYS HA H 53 4.727 4.869 -0.142 1
1 652 . 9 1 1 A 53 53 LYS CB C 53 34.737 35.778 -1.041 1
1 664 . 9 1 1 A 53 53 LYS C C 53 175.239 175.399 -0.160 1
1 665 . 9 1 1 A 54 54 THR N N 54 118.501 114.501 4.000 1
1 666 . 9 1 1 A 54 54 THR H H 54 8.498 8.849 -0.351 1
1 667 . 9 1 1 A 54 54 THR CA C 54 61.925 60.951 0.974 1
1 668 . 9 1 1 A 54 54 THR HA H 54 5.117 5.333 -0.216 1
1 669 . 9 1 1 A 54 54 THR CB C 54 70.294 70.347 -0.053 1
1 675 . 9 1 1 A 54 54 THR C C 54 173.733 173.835 -0.102 1
1 676 . 9 1 1 A 55 55 TYR N N 55 125.105 119.340 5.765 1
1 677 . 9 1 1 A 55 55 TYR H H 55 9.122 8.961 0.161 1
1 678 . 9 1 1 A 55 55 TYR CA C 55 56.149 55.312 0.837 1
1 679 . 9 1 1 A 55 55 TYR HA H 55 4.857 5.432 -0.575 1
1 680 . 9 1 1 A 55 55 TYR CB C 55 40.090 41.560 -1.470 1
1 691 . 9 1 1 A 55 55 TYR C C 55 172.847 172.762 0.085 1
1 692 . 9 1 1 A 56 56 GLU N N 56 119.744 120.175 -0.431 1
1 693 . 9 1 1 A 56 56 GLU H H 56 8.503 8.836 -0.333 1
1 694 . 9 1 1 A 56 56 GLU CA C 56 54.739 55.435 -0.696 1
1 695 . 9 1 1 A 56 56 GLU HA H 56 5.030 5.241 -0.211 1
1 696 . 9 1 1 A 56 56 GLU CB C 56 30.297 32.201 -1.904 1
1 701 . 9 1 1 A 56 56 GLU C C 56 175.394 176.211 -0.817 1
1 702 . 9 1 1 A 57 57 ARG N N 57 123.665 120.710 2.955 1
1 703 . 9 1 1 A 57 57 ARG H H 57 8.897 9.409 -0.512 1
1 704 . 9 1 1 A 57 57 ARG CA C 57 54.944 54.370 0.574 1
1 705 . 9 1 1 A 57 57 ARG HA H 57 4.663 5.083 -0.420 1
1 706 . 9 1 1 A 57 57 ARG CB C 57 33.471 33.901 -0.430 1
1 713 . 9 1 1 A 57 57 ARG C C 57 174.198 174.453 -0.255 1
1 714 . 9 1 1 A 58 58 GLN N N 58 119.967 121.600 -1.633 1
1 715 . 9 1 1 A 58 58 GLN H H 58 8.604 8.569 0.035 1
1 716 . 9 1 1 A 58 58 GLN CA C 58 53.394 54.857 -1.463 1
1 717 . 9 1 1 A 58 58 GLN HA H 58 5.602 4.960 0.642 1
1 718 . 9 1 1 A 58 58 GLN CB C 58 31.229 30.664 0.565 1
1 724 . 9 1 1 A 58 58 GLN C C 58 175.771 175.950 -0.179 1
1 725 . 9 1 1 A 59 59 GLY N N 59 107.507 108.790 -1.283 1
1 726 . 9 1 1 A 59 59 GLY H H 59 8.652 8.383 0.269 1
1 727 . 9 1 1 A 59 59 GLY CA C 59 45.583 45.448 0.135 1
1 728 . 9 1 1 A 59 59 GLY HA2 H 59 3.947 4.270 -0.323 1
1 729 . 9 1 1 A 59 59 GLY HA3 H 59 3.947 4.354 -0.407 1
1 730 . 9 1 1 A 59 59 GLY C C 59 170.255 171.663 -1.408 1
1 731 . 9 1 1 A 60 60 PHE N N 60 119.079 118.919 0.160 1
1 732 . 9 1 1 A 60 60 PHE H H 60 9.153 8.613 0.540 1
1 733 . 9 1 1 A 60 60 PHE CA C 60 58.544 56.858 1.686 1
1 734 . 9 1 1 A 60 60 PHE HA H 60 5.666 5.720 -0.054 1
1 735 . 9 1 1 A 60 60 PHE CB C 60 42.484 42.273 0.211 1
1 748 . 9 1 1 A 60 60 PHE C C 60 175.461 175.403 0.058 1
1 749 . 9 1 1 A 61 61 VAL N N 61 110.995 116.585 -5.590 1
1 750 . 9 1 1 A 61 61 VAL H H 61 9.065 9.248 -0.183 1
1 751 . 9 1 1 A 61 61 VAL CA C 61 58.189 58.302 -0.113 1
1 752 . 9 1 1 A 61 61 VAL HA H 61 4.823 4.904 -0.081 1
1 753 . 9 1 1 A 61 61 VAL CB C 61 33.521 34.876 -1.355 1
1 764 . 9 1 1 A 62 62 PRO CA C 62 61.852 61.816 0.036 1
1 765 . 9 1 1 A 62 62 PRO HA H 62 3.556 3.621 -0.065 1
1 766 . 9 1 1 A 62 62 PRO CB C 62 29.777 30.619 -0.842 1
1 774 . 9 1 1 A 62 62 PRO C C 62 177.787 177.166 0.621 1
1 775 . 9 1 1 A 63 63 ALA N N 63 129.142 127.671 1.471 1
1 776 . 9 1 1 A 63 63 ALA H H 63 7.477 7.930 -0.453 1
1 777 . 9 1 1 A 63 63 ALA CA C 63 54.472 53.489 0.983 1
1 778 . 9 1 1 A 63 63 ALA HA H 63 2.652 3.035 -0.383 1
1 782 . 9 1 1 A 63 63 ALA CB C 63 15.666 17.087 -1.421 1
1 783 . 9 1 1 A 63 63 ALA C C 63 178.429 178.359 0.070 1
1 784 . 9 1 1 A 64 64 ALA N N 64 113.522 119.066 -5.544 1
1 785 . 9 1 1 A 64 64 ALA H H 64 7.867 7.015 0.852 1
1 786 . 9 1 1 A 64 64 ALA CA C 64 52.768 54.032 -1.264 1
1 787 . 9 1 1 A 64 64 ALA HA H 64 4.006 3.900 0.106 1
1 791 . 9 1 1 A 64 64 ALA CB C 64 17.629 17.824 -0.195 1
1 792 . 9 1 1 A 64 64 ALA C C 64 178.097 178.297 -0.200 1
1 793 . 9 1 1 A 65 65 TYR N N 65 116.109 116.240 -0.131 1
1 794 . 9 1 1 A 65 65 TYR H H 65 7.698 7.593 0.105 1
1 795 . 9 1 1 A 65 65 TYR CA C 65 56.328 58.929 -2.601 1
1 796 . 9 1 1 A 65 65 TYR HA H 65 4.758 4.888 -0.130 1
1 797 . 9 1 1 A 65 65 TYR CB C 65 37.765 40.348 -2.583 1
1 808 . 9 1 1 A 65 65 TYR C C 65 174.375 175.694 -1.319 1
1 809 . 9 1 1 A 66 66 VAL N N 66 111.053 114.734 -3.681 1
1 810 . 9 1 1 A 66 66 VAL H H 66 7.415 7.122 0.293 1
1 811 . 9 1 1 A 66 66 VAL CA C 66 58.119 59.544 -1.425 1
1 812 . 9 1 1 A 66 66 VAL HA H 66 5.538 5.043 0.495 1
1 813 . 9 1 1 A 66 66 VAL CB C 66 35.809 34.408 1.401 1
1 823 . 9 1 1 A 66 66 VAL C C 66 173.511 174.933 -1.422 1
1 824 . 9 1 1 A 67 67 LYS N N 67 118.588 123.132 -4.544 1
1 825 . 9 1 1 A 67 67 LYS H H 67 8.631 9.089 -0.458 1
1 826 . 9 1 1 A 67 67 LYS CA C 67 54.035 54.455 -0.420 1
1 827 . 9 1 1 A 67 67 LYS HA H 67 4.830 5.279 -0.449 1
1 828 . 9 1 1 A 67 67 LYS CB C 67 36.779 36.291 0.488 1
1 838 . 9 1 1 A 67 67 LYS C C 67 175.992 175.158 0.834 1
1 839 . 9 1 1 A 68 68 LYS N N 68 125.838 122.666 3.172 1
1 840 . 9 1 1 A 68 68 LYS H H 68 9.227 8.816 0.411 1
1 841 . 9 1 1 A 68 68 LYS CA C 68 58.335 56.525 1.810 1
1 842 . 9 1 1 A 68 68 LYS HA H 68 4.494 4.439 0.055 1
1 843 . 9 1 1 A 68 68 LYS CB C 68 32.893 32.859 0.034 1
1 853 . 9 1 1 A 68 68 LYS C C 68 176.657 176.615 0.042 1
1 854 . 9 1 1 A 69 69 LEU N N 69 125.443 125.309 0.134 1
1 855 . 9 1 1 A 69 69 LEU H H 69 8.449 8.878 -0.429 1
1 856 . 9 1 1 A 69 69 LEU CA C 69 54.873 54.166 0.707 1
1 857 . 9 1 1 A 69 69 LEU HA H 69 4.437 4.554 -0.117 1
1 858 . 9 1 1 A 69 69 LEU CB C 69 42.345 41.069 1.276 1
1 871 . 9 1 1 A 69 69 LEU C C 69 176.147 176.199 -0.052 1
1 10 . 10 1 1 A 2 2 ASP N N 2 123.485 120.317 3.168 1
1 11 . 10 1 1 A 2 2 ASP H H 2 8.809 8.536 0.273 1
1 12 . 10 1 1 A 2 2 ASP CA C 2 54.244 53.554 0.690 1
1 13 . 10 1 1 A 2 2 ASP HA H 2 4.673 5.025 -0.352 1
1 14 . 10 1 1 A 2 2 ASP CB C 2 40.452 40.825 -0.373 1
1 17 . 10 1 1 A 2 2 ASP C C 2 175.771 175.493 0.278 1
1 18 . 10 1 1 A 3 3 GLU N N 3 121.725 121.629 0.096 1
1 19 . 10 1 1 A 3 3 GLU H H 3 8.684 7.658 1.026 1
1 20 . 10 1 1 A 3 3 GLU CA C 3 56.162 57.435 -1.273 1
1 21 . 10 1 1 A 3 3 GLU HA H 3 4.392 4.300 0.092 1
1 22 . 10 1 1 A 3 3 GLU CB C 3 29.170 30.357 -1.187 1
1 28 . 10 1 1 A 3 3 GLU C C 3 176.546 175.896 0.650 1
1 29 . 10 1 1 A 4 4 THR N N 4 114.384 117.325 -2.941 1
1 30 . 10 1 1 A 4 4 THR H H 4 8.303 8.447 -0.144 1
1 31 . 10 1 1 A 4 4 THR CA C 4 62.347 60.294 2.053 1
1 32 . 10 1 1 A 4 4 THR HA H 4 4.278 4.974 -0.696 1
1 33 . 10 1 1 A 4 4 THR CB C 4 69.672 71.208 -1.536 1
1 39 . 10 1 1 A 4 4 THR C C 4 175.306 173.517 1.789 1
1 40 . 10 1 1 A 5 5 GLY N N 5 111.296 109.452 1.844 1
1 41 . 10 1 1 A 5 5 GLY H H 5 8.422 8.356 0.066 1
1 42 . 10 1 1 A 5 5 GLY CA C 5 45.302 45.539 -0.237 1
1 43 . 10 1 1 A 5 5 GLY HA2 H 5 3.928 3.987 -0.059 1
1 44 . 10 1 1 A 5 5 GLY HA3 H 5 3.928 3.987 -0.059 1
1 45 . 10 1 1 A 5 5 GLY C C 5 173.689 175.553 -1.864 1
1 46 . 10 1 1 A 6 6 LYS N N 6 119.850 119.837 0.013 1
1 47 . 10 1 1 A 6 6 LYS H H 6 8.008 8.268 -0.260 1
1 48 . 10 1 1 A 6 6 LYS CA C 6 55.401 58.553 -3.152 1
1 49 . 10 1 1 A 6 6 LYS HA H 6 4.381 4.120 0.261 1
1 50 . 10 1 1 A 6 6 LYS CB C 6 33.225 32.299 0.926 1
1 62 . 10 1 1 A 6 6 LYS C C 6 175.948 176.283 -0.335 1
1 63 . 10 1 1 A 7 7 GLU N N 7 122.488 118.828 3.660 1
1 64 . 10 1 1 A 7 7 GLU H H 7 8.577 7.745 0.832 1
1 65 . 10 1 1 A 7 7 GLU CA C 7 55.690 56.291 -0.601 1
1 66 . 10 1 1 A 7 7 GLU HA H 7 4.495 4.600 -0.105 1
1 67 . 10 1 1 A 7 7 GLU CB C 7 30.382 33.095 -2.713 1
1 73 . 10 1 1 A 7 7 GLU C C 7 174.109 174.221 -0.112 1
1 74 . 10 1 1 A 8 8 LEU N N 8 123.063 126.466 -3.403 1
1 75 . 10 1 1 A 8 8 LEU H H 8 8.485 8.815 -0.330 1
1 76 . 10 1 1 A 8 8 LEU CA C 8 53.331 53.448 -0.117 1
1 77 . 10 1 1 A 8 8 LEU HA H 8 5.381 5.170 0.211 1
1 78 . 10 1 1 A 8 8 LEU CB C 8 45.077 46.338 -1.261 1
1 91 . 10 1 1 A 8 8 LEU C C 8 177.344 175.442 1.902 1
1 92 . 10 1 1 A 9 9 VAL N N 9 111.683 117.255 -5.572 1
1 93 . 10 1 1 A 9 9 VAL H H 9 9.111 9.307 -0.196 1
1 94 . 10 1 1 A 9 9 VAL CA C 9 57.854 59.212 -1.358 1
1 95 . 10 1 1 A 9 9 VAL HA H 9 5.214 4.859 0.355 1
1 96 . 10 1 1 A 9 9 VAL CB C 9 35.864 35.575 0.289 1
1 106 . 10 1 1 A 9 9 VAL C C 9 172.404 174.128 -1.724 1
1 107 . 10 1 1 A 10 10 LEU N N 10 123.366 126.908 -3.542 1
1 108 . 10 1 1 A 10 10 LEU H H 10 8.971 9.235 -0.264 1
1 109 . 10 1 1 A 10 10 LEU CA C 10 52.445 53.578 -1.133 1
1 110 . 10 1 1 A 10 10 LEU HA H 10 5.100 5.026 0.074 1
1 111 . 10 1 1 A 10 10 LEU CB C 10 46.711 44.597 2.114 1
1 124 . 10 1 1 A 10 10 LEU C C 10 176.568 175.477 1.091 1
1 125 . 10 1 1 A 11 11 ALA N N 11 127.241 128.770 -1.529 1
1 126 . 10 1 1 A 11 11 ALA H H 11 9.160 9.166 -0.006 1
1 127 . 10 1 1 A 11 11 ALA CA C 11 52.416 51.229 1.187 1
1 128 . 10 1 1 A 11 11 ALA HA H 11 4.610 4.550 0.060 1
1 132 . 10 1 1 A 11 11 ALA CB C 11 19.051 19.912 -0.861 1
1 133 . 10 1 1 A 11 11 ALA C C 11 178.252 176.998 1.254 1
1 134 . 10 1 1 A 12 12 LEU N N 12 127.842 125.102 2.740 1
1 135 . 10 1 1 A 12 12 LEU H H 12 9.257 9.398 -0.141 1
1 136 . 10 1 1 A 12 12 LEU CA C 12 55.585 56.038 -0.453 1
1 137 . 10 1 1 A 12 12 LEU HA H 12 3.884 4.199 -0.315 1
1 138 . 10 1 1 A 12 12 LEU CB C 12 43.192 42.603 0.589 1
1 151 . 10 1 1 A 12 12 LEU C C 12 174.951 176.581 -1.630 1
1 152 . 10 1 1 A 13 13 TYR N N 13 111.673 115.505 -3.832 1
1 153 . 10 1 1 A 13 13 TYR H H 13 7.129 7.868 -0.739 1
1 154 . 10 1 1 A 13 13 TYR CA C 13 54.530 56.266 -1.736 1
1 155 . 10 1 1 A 13 13 TYR HA H 13 4.617 5.129 -0.512 1
1 156 . 10 1 1 A 13 13 TYR CB C 13 42.982 41.513 1.469 1
1 167 . 10 1 1 A 13 13 TYR C C 13 173.600 175.541 -1.941 1
1 168 . 10 1 1 A 14 14 ASP N N 14 117.888 121.859 -3.971 1
1 169 . 10 1 1 A 14 14 ASP H H 14 8.328 8.647 -0.319 1
1 170 . 10 1 1 A 14 14 ASP CA C 14 54.527 54.109 0.418 1
1 171 . 10 1 1 A 14 14 ASP HA H 14 4.615 4.685 -0.070 1
1 172 . 10 1 1 A 14 14 ASP CB C 14 41.351 41.545 -0.194 1
1 175 . 10 1 1 A 14 14 ASP C C 14 176.125 175.366 0.759 1
1 176 . 10 1 1 A 15 15 TYR N N 15 120.102 122.368 -2.266 1
1 177 . 10 1 1 A 15 15 TYR H H 15 8.733 8.886 -0.153 1
1 178 . 10 1 1 A 15 15 TYR CA C 15 59.669 57.037 2.632 1
1 179 . 10 1 1 A 15 15 TYR HA H 15 4.662 5.228 -0.566 1
1 180 . 10 1 1 A 15 15 TYR CB C 15 43.400 42.096 1.304 1
1 191 . 10 1 1 A 15 15 TYR C C 15 172.803 173.444 -0.641 1
1 192 . 10 1 1 A 16 16 GLN N N 16 126.945 124.464 2.481 1
1 193 . 10 1 1 A 16 16 GLN H H 16 7.546 7.876 -0.330 1
1 194 . 10 1 1 A 16 16 GLN CA C 16 53.820 55.302 -1.482 1
1 195 . 10 1 1 A 16 16 GLN HA H 16 4.500 4.762 -0.262 1
1 196 . 10 1 1 A 16 16 GLN CB C 16 29.378 30.370 -0.992 1
1 202 . 10 1 1 A 16 16 GLN C C 16 173.910 174.559 -0.649 1
1 203 . 10 1 1 A 17 17 GLU N N 17 123.035 124.315 -1.280 1
1 204 . 10 1 1 A 17 17 GLU H H 17 7.930 8.845 -0.915 1
1 205 . 10 1 1 A 17 17 GLU CA C 17 56.078 56.795 -0.717 1
1 206 . 10 1 1 A 17 17 GLU HA H 17 4.211 4.268 -0.057 1
1 207 . 10 1 1 A 17 17 GLU CB C 17 29.520 30.272 -0.752 1
1 213 . 10 1 1 A 17 17 GLU C C 17 175.926 177.112 -1.186 1
1 214 . 10 1 1 A 18 18 LYS N N 18 120.770 119.159 1.611 1
1 215 . 10 1 1 A 18 18 LYS H H 18 8.801 8.736 0.065 1
1 216 . 10 1 1 A 18 18 LYS CA C 18 55.164 55.795 -0.631 1
1 217 . 10 1 1 A 18 18 LYS HA H 18 4.424 4.671 -0.247 1
1 218 . 10 1 1 A 18 18 LYS CB C 18 33.328 33.732 -0.404 1
1 230 . 10 1 1 A 18 18 LYS C C 18 176.192 175.723 0.469 1
1 231 . 10 1 1 A 19 19 SER N N 19 114.841 111.440 3.401 1
1 232 . 10 1 1 A 19 19 SER H H 19 7.619 7.453 0.166 1
1 233 . 10 1 1 A 19 19 SER CA C 19 56.678 55.333 1.345 1
1 234 . 10 1 1 A 19 19 SER HA H 19 4.863 5.075 -0.212 1
1 235 . 10 1 1 A 19 19 SER CB C 19 64.060 65.827 -1.767 1
1 239 . 10 1 1 A 20 20 PRO CA C 20 64.803 64.650 0.153 1
1 240 . 10 1 1 A 20 20 PRO HA H 20 4.549 4.480 0.069 1
1 241 . 10 1 1 A 20 20 PRO CB C 20 31.894 32.102 -0.208 1
1 249 . 10 1 1 A 20 20 PRO C C 20 176.679 177.404 -0.725 1
1 250 . 10 1 1 A 21 21 ARG N N 21 113.864 117.807 -3.943 1
1 251 . 10 1 1 A 21 21 ARG H H 21 7.687 7.950 -0.263 1
1 252 . 10 1 1 A 21 21 ARG CA C 21 56.119 55.816 0.303 1
1 253 . 10 1 1 A 21 21 ARG HA H 21 4.598 4.607 -0.009 1
1 254 . 10 1 1 A 21 21 ARG CB C 21 30.299 30.811 -0.512 1
1 263 . 10 1 1 A 21 21 ARG C C 21 176.369 175.331 1.038 1
1 264 . 10 1 1 A 22 22 GLU N N 22 121.539 120.982 0.557 1
1 265 . 10 1 1 A 22 22 GLU H H 22 7.842 7.240 0.602 1
1 266 . 10 1 1 A 22 22 GLU CA C 22 54.951 55.123 -0.172 1
1 267 . 10 1 1 A 22 22 GLU HA H 22 5.484 5.031 0.453 1
1 268 . 10 1 1 A 22 22 GLU CB C 22 33.535 33.520 0.015 1
1 274 . 10 1 1 A 22 22 GLU C C 22 174.375 174.712 -0.337 1
1 275 . 10 1 1 A 23 23 VAL N N 23 111.923 118.579 -6.656 1
1 276 . 10 1 1 A 23 23 VAL H H 23 7.373 8.777 -1.404 1
1 277 . 10 1 1 A 23 23 VAL CA C 23 59.570 59.541 0.029 1
1 278 . 10 1 1 A 23 23 VAL HA H 23 4.531 5.143 -0.612 1
1 279 . 10 1 1 A 23 23 VAL CB C 23 34.667 36.367 -1.700 1
1 289 . 10 1 1 A 23 23 VAL C C 23 172.625 173.775 -1.150 1
1 290 . 10 1 1 A 24 24 THR N N 24 117.656 115.535 2.121 1
1 291 . 10 1 1 A 24 24 THR H H 24 7.112 8.849 -1.737 1
1 292 . 10 1 1 A 24 24 THR CA C 24 61.994 60.447 1.547 1
1 293 . 10 1 1 A 24 24 THR HA H 24 5.119 5.186 -0.067 1
1 294 . 10 1 1 A 24 24 THR CB C 24 71.220 70.708 0.512 1
1 300 . 10 1 1 A 24 24 THR C C 24 174.309 172.499 1.810 1
1 301 . 10 1 1 A 25 25 MET N N 25 122.056 121.505 0.551 1
1 302 . 10 1 1 A 25 25 MET H H 25 9.515 9.044 0.471 1
1 303 . 10 1 1 A 25 25 MET CA C 25 54.247 53.848 0.399 1
1 304 . 10 1 1 A 25 25 MET HA H 25 4.935 5.144 -0.209 1
1 305 . 10 1 1 A 25 25 MET CB C 25 36.287 35.919 0.368 1
1 312 . 10 1 1 A 25 25 MET C C 25 173.777 174.018 -0.241 1
1 313 . 10 1 1 A 26 26 LYS N N 26 124.668 121.451 3.217 1
1 314 . 10 1 1 A 26 26 LYS H H 26 8.949 8.650 0.299 1
1 315 . 10 1 1 A 26 26 LYS CA C 26 53.476 54.252 -0.776 1
1 316 . 10 1 1 A 26 26 LYS HA H 26 4.896 5.058 -0.162 1
1 317 . 10 1 1 A 26 26 LYS CB C 26 34.097 36.032 -1.935 1
1 327 . 10 1 1 A 26 26 LYS C C 26 174.929 175.942 -1.013 1
1 328 . 10 1 1 A 27 27 LYS N N 27 122.567 122.623 -0.056 1
1 329 . 10 1 1 A 27 27 LYS H H 27 9.061 8.440 0.621 1
1 330 . 10 1 1 A 27 27 LYS CA C 27 58.539 57.185 1.354 1
1 331 . 10 1 1 A 27 27 LYS HA H 27 4.656 4.059 0.597 1
1 332 . 10 1 1 A 27 27 LYS CB C 27 32.202 31.923 0.279 1
1 344 . 10 1 1 A 27 27 LYS C C 27 177.344 176.977 0.367 1
1 345 . 10 1 1 A 28 28 GLY N N 28 115.884 113.030 2.854 1
1 346 . 10 1 1 A 28 28 GLY H H 28 8.900 9.139 -0.239 1
1 347 . 10 1 1 A 28 28 GLY CA C 28 44.779 45.306 -0.527 1
1 348 . 10 1 1 A 28 28 GLY HA2 H 28 3.523 3.928 -0.405 1
1 349 . 10 1 1 A 28 28 GLY HA3 H 28 4.469 3.933 0.536 1
1 350 . 10 1 1 A 28 28 GLY C C 28 174.021 174.347 -0.326 1
1 351 . 10 1 1 A 29 29 ASP N N 29 122.466 120.255 2.211 1
1 352 . 10 1 1 A 29 29 ASP H H 29 8.513 8.041 0.472 1
1 353 . 10 1 1 A 29 29 ASP CA C 29 55.711 53.932 1.779 1
1 354 . 10 1 1 A 29 29 ASP HA H 29 4.523 4.973 -0.450 1
1 355 . 10 1 1 A 29 29 ASP CB C 29 41.361 42.936 -1.575 1
1 358 . 10 1 1 A 29 29 ASP C C 29 174.331 174.773 -0.442 1
1 359 . 10 1 1 A 30 30 ILE N N 30 120.470 119.527 0.943 1
1 360 . 10 1 1 A 30 30 ILE H H 30 8.204 8.439 -0.235 1
1 361 . 10 1 1 A 30 30 ILE CA C 30 60.164 60.367 -0.203 1
1 362 . 10 1 1 A 30 30 ILE HA H 30 5.025 5.257 -0.232 1
1 363 . 10 1 1 A 30 30 ILE CB C 30 38.257 41.993 -3.736 1
1 372 . 10 1 1 A 30 30 ILE C C 30 176.236 175.052 1.184 1
1 373 . 10 1 1 A 31 31 LEU N N 31 128.265 126.417 1.848 1
1 374 . 10 1 1 A 31 31 LEU H H 31 9.353 8.880 0.473 1
1 375 . 10 1 1 A 31 31 LEU CA C 31 53.601 53.715 -0.114 1
1 376 . 10 1 1 A 31 31 LEU HA H 31 4.998 5.013 -0.015 1
1 377 . 10 1 1 A 31 31 LEU CB C 31 43.893 45.661 -1.768 1
1 388 . 10 1 1 A 31 31 LEU C C 31 175.638 175.965 -0.327 1
1 389 . 10 1 1 A 32 32 THR N N 32 117.089 119.672 -2.583 1
1 390 . 10 1 1 A 32 32 THR H H 32 8.141 8.708 -0.567 1
1 391 . 10 1 1 A 32 32 THR CA C 32 63.263 63.238 0.025 1
1 392 . 10 1 1 A 32 32 THR HA H 32 4.619 4.586 0.033 1
1 393 . 10 1 1 A 32 32 THR CB C 32 69.867 69.078 0.789 1
1 399 . 10 1 1 A 32 32 THR C C 32 173.600 174.352 -0.752 1
1 400 . 10 1 1 A 33 33 LEU N N 33 129.212 128.755 0.457 1
1 401 . 10 1 1 A 33 33 LEU H H 33 9.070 8.529 0.541 1
1 402 . 10 1 1 A 33 33 LEU CA C 33 54.671 56.198 -1.527 1
1 403 . 10 1 1 A 33 33 LEU HA H 33 4.356 4.331 0.025 1
1 404 . 10 1 1 A 33 33 LEU CB C 33 42.968 42.302 0.666 1
1 417 . 10 1 1 A 33 33 LEU C C 33 174.553 176.003 -1.450 1
1 418 . 10 1 1 A 34 34 LEU N N 34 125.880 127.445 -1.565 1
1 419 . 10 1 1 A 34 34 LEU H H 34 9.051 9.490 -0.439 1
1 420 . 10 1 1 A 34 34 LEU CA C 34 54.811 55.959 -1.148 1
1 421 . 10 1 1 A 34 34 LEU HA H 34 4.532 4.415 0.117 1
1 422 . 10 1 1 A 34 34 LEU CB C 34 42.977 42.971 0.006 1
1 434 . 10 1 1 A 34 34 LEU C C 34 177.477 176.487 0.990 1
1 435 . 10 1 1 A 35 35 ASN N N 35 113.971 115.374 -1.403 1
1 436 . 10 1 1 A 35 35 ASN H H 35 7.600 7.627 -0.027 1
1 437 . 10 1 1 A 35 35 ASN CA C 35 54.543 52.095 2.448 1
1 438 . 10 1 1 A 35 35 ASN HA H 35 4.680 5.153 -0.473 1
1 439 . 10 1 1 A 35 35 ASN CB C 35 40.958 41.847 -0.889 1
1 443 . 10 1 1 A 35 35 ASN C C 35 174.375 174.205 0.170 1
1 444 . 10 1 1 A 36 36 SER N N 36 123.815 116.797 7.018 1
1 445 . 10 1 1 A 36 36 SER H H 36 9.194 8.498 0.696 1
1 446 . 10 1 1 A 36 36 SER CA C 36 56.692 56.510 0.182 1
1 447 . 10 1 1 A 36 36 SER HA H 36 3.921 4.848 -0.927 1
1 448 . 10 1 1 A 36 36 SER CB C 36 62.180 62.521 -0.341 1
1 451 . 10 1 1 A 36 36 SER C C 36 173.401 175.405 -2.004 1
1 452 . 10 1 1 A 37 37 THR N N 37 115.041 115.917 -0.876 1
1 453 . 10 1 1 A 37 37 THR H H 37 8.178 7.689 0.489 1
1 454 . 10 1 1 A 37 37 THR CA C 37 65.484 65.448 0.036 1
1 455 . 10 1 1 A 37 37 THR HA H 37 4.528 4.082 0.446 1
1 456 . 10 1 1 A 37 37 THR CB C 37 69.416 68.980 0.436 1
1 462 . 10 1 1 A 37 37 THR C C 37 175.261 175.195 0.066 1
1 463 . 10 1 1 A 38 38 ASN N N 38 122.494 119.277 3.217 1
1 464 . 10 1 1 A 38 38 ASN H H 38 8.674 8.082 0.592 1
1 465 . 10 1 1 A 38 38 ASN CA C 38 53.188 52.503 0.685 1
1 466 . 10 1 1 A 38 38 ASN HA H 38 4.863 4.912 -0.049 1
1 467 . 10 1 1 A 38 38 ASN CB C 38 40.525 40.545 -0.020 1
1 470 . 10 1 1 A 38 38 ASN C C 38 174.575 175.173 -0.598 1
1 471 . 10 1 1 A 39 39 LYS N N 39 120.915 122.127 -1.212 1
1 472 . 10 1 1 A 39 39 LYS H H 39 8.510 9.015 -0.505 1
1 473 . 10 1 1 A 39 39 LYS CA C 39 58.333 56.092 2.241 1
1 474 . 10 1 1 A 39 39 LYS HA H 39 4.247 4.910 -0.663 1
1 475 . 10 1 1 A 39 39 LYS CB C 39 32.520 34.049 -1.529 1
1 485 . 10 1 1 A 39 39 LYS C C 39 176.236 176.535 -0.299 1
1 486 . 10 1 1 A 40 40 ASP N N 40 114.628 116.161 -1.533 1
1 487 . 10 1 1 A 40 40 ASP H H 40 8.173 7.809 0.364 1
1 488 . 10 1 1 A 40 40 ASP CA C 40 55.380 55.267 0.113 1
1 489 . 10 1 1 A 40 40 ASP HA H 40 4.544 4.445 0.099 1
1 490 . 10 1 1 A 40 40 ASP CB C 40 43.415 43.665 -0.250 1
1 493 . 10 1 1 A 40 40 ASP C C 40 176.967 175.713 1.254 1
1 494 . 10 1 1 A 41 41 TRP N N 41 122.703 116.908 5.795 1
1 495 . 10 1 1 A 41 41 TRP H H 41 8.209 7.653 0.556 1
1 496 . 10 1 1 A 41 41 TRP CA C 41 56.184 55.706 0.478 1
1 497 . 10 1 1 A 41 41 TRP HA H 41 5.075 5.297 -0.222 1
1 498 . 10 1 1 A 41 41 TRP CB C 41 32.019 33.870 -1.851 1
1 513 . 10 1 1 A 41 41 TRP C C 41 174.176 175.290 -1.114 1
1 514 . 10 1 1 A 42 42 TRP N N 42 124.895 123.184 1.711 1
1 515 . 10 1 1 A 42 42 TRP H H 42 9.366 9.083 0.283 1
1 516 . 10 1 1 A 42 42 TRP CA C 42 54.076 56.163 -2.087 1
1 517 . 10 1 1 A 42 42 TRP HA H 42 5.523 5.498 0.025 1
1 518 . 10 1 1 A 42 42 TRP CB C 42 31.447 33.873 -2.426 1
1 533 . 10 1 1 A 42 42 TRP C C 42 174.109 175.217 -1.108 1
1 534 . 10 1 1 A 43 43 LYS N N 43 124.120 122.911 1.209 1
1 535 . 10 1 1 A 43 43 LYS H H 43 8.883 9.438 -0.555 1
1 536 . 10 1 1 A 43 43 LYS CA C 43 55.158 55.184 -0.026 1
1 537 . 10 1 1 A 43 43 LYS HA H 43 4.368 5.173 -0.805 1
1 538 . 10 1 1 A 43 43 LYS CB C 43 33.794 34.473 -0.679 1
1 550 . 10 1 1 A 43 43 LYS C C 43 175.416 175.702 -0.286 1
1 551 . 10 1 1 A 44 44 VAL N N 44 122.055 120.041 2.014 1
1 552 . 10 1 1 A 44 44 VAL H H 44 9.427 9.281 0.146 1
1 553 . 10 1 1 A 44 44 VAL CA C 44 58.825 58.763 0.062 1
1 554 . 10 1 1 A 44 44 VAL HA H 44 5.375 5.184 0.191 1
1 555 . 10 1 1 A 44 44 VAL CB C 44 36.593 35.543 1.050 1
1 565 . 10 1 1 A 44 44 VAL C C 44 173.223 173.420 -0.197 1
1 566 . 10 1 1 A 45 45 GLU N N 45 118.673 122.580 -3.907 1
1 567 . 10 1 1 A 45 45 GLU H H 45 8.733 8.934 -0.201 1
1 568 . 10 1 1 A 45 45 GLU CA C 45 54.249 54.789 -0.540 1
1 569 . 10 1 1 A 45 45 GLU HA H 45 5.432 5.217 0.215 1
1 570 . 10 1 1 A 45 45 GLU CB C 45 33.286 31.352 1.934 1
1 576 . 10 1 1 A 45 45 GLU C C 45 174.774 175.645 -0.871 1
1 577 . 10 1 1 A 46 46 VAL N N 46 123.551 123.278 0.273 1
1 578 . 10 1 1 A 46 46 VAL H H 46 9.058 8.838 0.220 1
1 579 . 10 1 1 A 46 46 VAL CA C 46 59.627 60.816 -1.189 1
1 580 . 10 1 1 A 46 46 VAL HA H 46 4.669 4.824 -0.155 1
1 581 . 10 1 1 A 46 46 VAL CB C 46 35.290 33.301 1.989 1
1 590 . 10 1 1 A 46 46 VAL C C 46 173.534 175.444 -1.910 1
1 591 . 10 1 1 A 47 47 LYS N N 47 124.992 122.743 2.249 1
1 592 . 10 1 1 A 47 47 LYS H H 47 8.446 8.484 -0.038 1
1 593 . 10 1 1 A 47 47 LYS CA C 47 55.905 55.248 0.657 1
1 594 . 10 1 1 A 47 47 LYS HA H 47 4.763 4.731 0.032 1
1 595 . 10 1 1 A 47 47 LYS CB C 47 33.450 34.023 -0.573 1
1 605 . 10 1 1 A 47 47 LYS C C 47 175.306 175.815 -0.509 1
1 606 . 10 1 1 A 48 48 ALA N N 48 128.781 124.057 4.724 1
1 607 . 10 1 1 A 48 48 ALA H H 48 8.757 8.527 0.230 1
1 608 . 10 1 1 A 48 48 ALA CA C 48 50.828 50.050 0.778 1
1 609 . 10 1 1 A 48 48 ALA HA H 48 4.616 5.060 -0.444 1
1 613 . 10 1 1 A 48 48 ALA CB C 48 21.741 23.766 -2.025 1
1 614 . 10 1 1 A 48 48 ALA C C 48 175.173 175.259 -0.086 1
1 615 . 10 1 1 A 49 49 THR N N 49 113.585 114.832 -1.247 1
1 616 . 10 1 1 A 49 49 THR H H 49 8.333 8.426 -0.093 1
1 617 . 10 1 1 A 49 49 THR CA C 49 60.826 61.150 -0.324 1
1 618 . 10 1 1 A 49 49 THR HA H 49 5.257 5.385 -0.128 1
1 619 . 10 1 1 A 49 49 THR CB C 49 71.045 71.184 -0.139 1
1 624 . 10 1 1 A 49 49 THR C C 49 174.176 173.255 0.921 1
1 625 . 10 1 1 A 50 50 ALA N N 50 127.142 127.322 -0.180 1
1 626 . 10 1 1 A 50 50 ALA H H 50 8.914 8.901 0.013 1
1 627 . 10 1 1 A 50 50 ALA CA C 50 52.345 51.389 0.956 1
1 628 . 10 1 1 A 50 50 ALA HA H 50 4.603 4.762 -0.159 1
1 632 . 10 1 1 A 50 50 ALA CB C 50 20.935 22.783 -1.848 1
1 633 . 10 1 1 A 50 50 ALA C C 50 177.299 176.062 1.237 1
1 634 . 10 1 1 A 51 51 ASN N N 51 121.555 122.545 -0.990 1
1 635 . 10 1 1 A 51 51 ASN H H 51 9.491 9.288 0.203 1
1 636 . 10 1 1 A 51 51 ASN CA C 51 54.177 54.459 -0.282 1
1 637 . 10 1 1 A 51 51 ASN HA H 51 4.389 4.439 -0.050 1
1 638 . 10 1 1 A 51 51 ASN CB C 51 37.413 37.266 0.147 1
1 641 . 10 1 1 A 51 51 ASN C C 51 175.106 175.583 -0.477 1
1 642 . 10 1 1 A 52 52 GLY N N 52 103.942 104.782 -0.840 1
1 643 . 10 1 1 A 52 52 GLY H H 52 8.681 8.736 -0.055 1
1 644 . 10 1 1 A 52 52 GLY CA C 52 45.443 45.608 -0.165 1
1 645 . 10 1 1 A 52 52 GLY HA2 H 52 3.624 3.913 -0.289 1
1 646 . 10 1 1 A 52 52 GLY HA3 H 52 4.143 3.913 0.230 1
1 647 . 10 1 1 A 52 52 GLY C C 52 173.666 173.787 -0.121 1
1 648 . 10 1 1 A 53 53 LYS N N 53 121.213 120.375 0.838 1
1 649 . 10 1 1 A 53 53 LYS H H 53 7.893 8.108 -0.215 1
1 650 . 10 1 1 A 53 53 LYS CA C 53 54.807 54.274 0.533 1
1 651 . 10 1 1 A 53 53 LYS HA H 53 4.727 4.852 -0.125 1
1 652 . 10 1 1 A 53 53 LYS CB C 53 34.737 35.303 -0.566 1
1 664 . 10 1 1 A 53 53 LYS C C 53 175.239 175.532 -0.293 1
1 665 . 10 1 1 A 54 54 THR N N 54 118.501 114.700 3.801 1
1 666 . 10 1 1 A 54 54 THR H H 54 8.498 8.871 -0.373 1
1 667 . 10 1 1 A 54 54 THR CA C 54 61.925 61.076 0.849 1
1 668 . 10 1 1 A 54 54 THR HA H 54 5.117 5.442 -0.325 1
1 669 . 10 1 1 A 54 54 THR CB C 54 70.294 70.315 -0.021 1
1 675 . 10 1 1 A 54 54 THR C C 54 173.733 173.858 -0.125 1
1 676 . 10 1 1 A 55 55 TYR N N 55 125.105 119.522 5.583 1
1 677 . 10 1 1 A 55 55 TYR H H 55 9.122 8.985 0.137 1
1 678 . 10 1 1 A 55 55 TYR CA C 55 56.149 55.427 0.722 1
1 679 . 10 1 1 A 55 55 TYR HA H 55 4.857 5.421 -0.564 1
1 680 . 10 1 1 A 55 55 TYR CB C 55 40.090 41.928 -1.838 1
1 691 . 10 1 1 A 55 55 TYR C C 55 172.847 172.745 0.102 1
1 692 . 10 1 1 A 56 56 GLU N N 56 119.744 120.740 -0.996 1
1 693 . 10 1 1 A 56 56 GLU H H 56 8.503 8.768 -0.265 1
1 694 . 10 1 1 A 56 56 GLU CA C 56 54.739 55.391 -0.652 1
1 695 . 10 1 1 A 56 56 GLU HA H 56 5.030 5.277 -0.247 1
1 696 . 10 1 1 A 56 56 GLU CB C 56 30.297 32.216 -1.919 1
1 701 . 10 1 1 A 56 56 GLU C C 56 175.394 176.221 -0.827 1
1 702 . 10 1 1 A 57 57 ARG N N 57 123.665 119.318 4.347 1
1 703 . 10 1 1 A 57 57 ARG H H 57 8.897 9.483 -0.586 1
1 704 . 10 1 1 A 57 57 ARG CA C 57 54.944 54.244 0.700 1
1 705 . 10 1 1 A 57 57 ARG HA H 57 4.663 5.050 -0.387 1
1 706 . 10 1 1 A 57 57 ARG CB C 57 33.471 34.001 -0.530 1
1 713 . 10 1 1 A 57 57 ARG C C 57 174.198 174.559 -0.361 1
1 714 . 10 1 1 A 58 58 GLN N N 58 119.967 120.906 -0.939 1
1 715 . 10 1 1 A 58 58 GLN H H 58 8.604 8.464 0.140 1
1 716 . 10 1 1 A 58 58 GLN CA C 58 53.394 54.844 -1.450 1
1 717 . 10 1 1 A 58 58 GLN HA H 58 5.602 4.979 0.623 1
1 718 . 10 1 1 A 58 58 GLN CB C 58 31.229 30.675 0.554 1
1 724 . 10 1 1 A 58 58 GLN C C 58 175.771 175.932 -0.161 1
1 725 . 10 1 1 A 59 59 GLY N N 59 107.507 108.732 -1.225 1
1 726 . 10 1 1 A 59 59 GLY H H 59 8.652 8.389 0.263 1
1 727 . 10 1 1 A 59 59 GLY CA C 59 45.583 45.363 0.220 1
1 728 . 10 1 1 A 59 59 GLY HA2 H 59 3.947 4.272 -0.325 1
1 729 . 10 1 1 A 59 59 GLY HA3 H 59 3.947 4.343 -0.396 1
1 730 . 10 1 1 A 59 59 GLY C C 59 170.255 171.734 -1.479 1
1 731 . 10 1 1 A 60 60 PHE N N 60 119.079 118.828 0.251 1
1 732 . 10 1 1 A 60 60 PHE H H 60 9.153 8.625 0.528 1
1 733 . 10 1 1 A 60 60 PHE CA C 60 58.544 57.167 1.377 1
1 734 . 10 1 1 A 60 60 PHE HA H 60 5.666 5.636 0.030 1
1 735 . 10 1 1 A 60 60 PHE CB C 60 42.484 42.254 0.230 1
1 748 . 10 1 1 A 60 60 PHE C C 60 175.461 175.487 -0.026 1
1 749 . 10 1 1 A 61 61 VAL N N 61 110.995 116.391 -5.396 1
1 750 . 10 1 1 A 61 61 VAL H H 61 9.065 9.261 -0.196 1
1 751 . 10 1 1 A 61 61 VAL CA C 61 58.189 58.211 -0.022 1
1 752 . 10 1 1 A 61 61 VAL HA H 61 4.823 4.854 -0.031 1
1 753 . 10 1 1 A 61 61 VAL CB C 61 33.521 34.640 -1.119 1
1 764 . 10 1 1 A 62 62 PRO CA C 62 61.852 61.664 0.188 1
1 765 . 10 1 1 A 62 62 PRO HA H 62 3.556 3.339 0.217 1
1 766 . 10 1 1 A 62 62 PRO CB C 62 29.777 30.536 -0.759 1
1 774 . 10 1 1 A 62 62 PRO C C 62 177.787 177.080 0.707 1
1 775 . 10 1 1 A 63 63 ALA N N 63 129.142 127.577 1.565 1
1 776 . 10 1 1 A 63 63 ALA H H 63 7.477 8.120 -0.643 1
1 777 . 10 1 1 A 63 63 ALA CA C 63 54.472 53.457 1.015 1
1 778 . 10 1 1 A 63 63 ALA HA H 63 2.652 3.001 -0.349 1
1 782 . 10 1 1 A 63 63 ALA CB C 63 15.666 17.197 -1.531 1
1 783 . 10 1 1 A 63 63 ALA C C 63 178.429 178.328 0.101 1
1 784 . 10 1 1 A 64 64 ALA N N 64 113.522 118.818 -5.296 1
1 785 . 10 1 1 A 64 64 ALA H H 64 7.867 6.980 0.887 1
1 786 . 10 1 1 A 64 64 ALA CA C 64 52.768 53.963 -1.195 1
1 787 . 10 1 1 A 64 64 ALA HA H 64 4.006 3.902 0.104 1
1 791 . 10 1 1 A 64 64 ALA CB C 64 17.629 17.864 -0.235 1
1 792 . 10 1 1 A 64 64 ALA C C 64 178.097 178.241 -0.144 1
1 793 . 10 1 1 A 65 65 TYR N N 65 116.109 116.329 -0.220 1
1 794 . 10 1 1 A 65 65 TYR H H 65 7.698 7.560 0.138 1
1 795 . 10 1 1 A 65 65 TYR CA C 65 56.328 58.916 -2.588 1
1 796 . 10 1 1 A 65 65 TYR HA H 65 4.758 4.857 -0.099 1
1 797 . 10 1 1 A 65 65 TYR CB C 65 37.765 40.362 -2.597 1
1 808 . 10 1 1 A 65 65 TYR C C 65 174.375 175.753 -1.378 1
1 809 . 10 1 1 A 66 66 VAL N N 66 111.053 114.659 -3.606 1
1 810 . 10 1 1 A 66 66 VAL H H 66 7.415 7.197 0.218 1
1 811 . 10 1 1 A 66 66 VAL CA C 66 58.119 59.163 -1.044 1
1 812 . 10 1 1 A 66 66 VAL HA H 66 5.538 5.175 0.363 1
1 813 . 10 1 1 A 66 66 VAL CB C 66 35.809 34.658 1.151 1
1 823 . 10 1 1 A 66 66 VAL C C 66 173.511 174.215 -0.704 1
1 824 . 10 1 1 A 67 67 LYS N N 67 118.588 122.266 -3.678 1
1 825 . 10 1 1 A 67 67 LYS H H 67 8.631 8.777 -0.146 1
1 826 . 10 1 1 A 67 67 LYS CA C 67 54.035 54.796 -0.761 1
1 827 . 10 1 1 A 67 67 LYS HA H 67 4.830 5.253 -0.423 1
1 828 . 10 1 1 A 67 67 LYS CB C 67 36.779 36.501 0.278 1
1 838 . 10 1 1 A 67 67 LYS C C 67 175.992 174.937 1.055 1
1 839 . 10 1 1 A 68 68 LYS N N 68 125.838 126.379 -0.541 1
1 840 . 10 1 1 A 68 68 LYS H H 68 9.227 8.735 0.492 1
1 841 . 10 1 1 A 68 68 LYS CA C 68 58.335 57.208 1.127 1
1 842 . 10 1 1 A 68 68 LYS HA H 68 4.494 4.421 0.073 1
1 843 . 10 1 1 A 68 68 LYS CB C 68 32.893 32.518 0.375 1
1 853 . 10 1 1 A 68 68 LYS C C 68 176.657 176.990 -0.333 1
1 854 . 10 1 1 A 69 69 LEU N N 69 125.443 121.977 3.466 1
1 855 . 10 1 1 A 69 69 LEU H H 69 8.449 8.477 -0.028 1
1 856 . 10 1 1 A 69 69 LEU CA C 69 54.873 54.562 0.311 1
1 857 . 10 1 1 A 69 69 LEU HA H 69 4.437 4.607 -0.170 1
1 858 . 10 1 1 A 69 69 LEU CB C 69 42.345 42.028 0.317 1
1 871 . 10 1 1 A 69 69 LEU C C 69 176.147 176.586 -0.439 1
1 10 . 11 1 1 A 2 2 ASP N N 2 123.485 119.207 4.278 1
1 11 . 11 1 1 A 2 2 ASP H H 2 8.809 8.623 0.186 1
1 12 . 11 1 1 A 2 2 ASP CA C 2 54.244 53.142 1.102 1
1 13 . 11 1 1 A 2 2 ASP HA H 2 4.673 4.844 -0.171 1
1 14 . 11 1 1 A 2 2 ASP CB C 2 40.452 40.033 0.419 1
1 17 . 11 1 1 A 2 2 ASP C C 2 175.771 176.318 -0.547 1
1 18 . 11 1 1 A 3 3 GLU N N 3 121.725 120.742 0.983 1
1 19 . 11 1 1 A 3 3 GLU H H 3 8.684 7.621 1.063 1
1 20 . 11 1 1 A 3 3 GLU CA C 3 56.162 56.162 0.000 1
1 21 . 11 1 1 A 3 3 GLU HA H 3 4.392 4.596 -0.204 1
1 22 . 11 1 1 A 3 3 GLU CB C 3 29.170 30.022 -0.852 1
1 28 . 11 1 1 A 3 3 GLU C C 3 176.546 175.738 0.808 1
1 29 . 11 1 1 A 4 4 THR N N 4 114.384 115.607 -1.223 1
1 30 . 11 1 1 A 4 4 THR H H 4 8.303 8.380 -0.077 1
1 31 . 11 1 1 A 4 4 THR CA C 4 62.347 61.030 1.317 1
1 32 . 11 1 1 A 4 4 THR HA H 4 4.278 4.883 -0.605 1
1 33 . 11 1 1 A 4 4 THR CB C 4 69.672 71.327 -1.655 1
1 39 . 11 1 1 A 4 4 THR C C 4 175.306 173.322 1.984 1
1 40 . 11 1 1 A 5 5 GLY N N 5 111.296 112.050 -0.754 1
1 41 . 11 1 1 A 5 5 GLY H H 5 8.422 8.548 -0.126 1
1 42 . 11 1 1 A 5 5 GLY CA C 5 45.302 45.144 0.158 1
1 43 . 11 1 1 A 5 5 GLY HA2 H 5 3.928 4.067 -0.139 1
1 44 . 11 1 1 A 5 5 GLY HA3 H 5 3.928 4.069 -0.141 1
1 45 . 11 1 1 A 5 5 GLY C C 5 173.689 174.641 -0.952 1
1 46 . 11 1 1 A 6 6 LYS N N 6 119.850 117.621 2.229 1
1 47 . 11 1 1 A 6 6 LYS H H 6 8.008 8.087 -0.079 1
1 48 . 11 1 1 A 6 6 LYS CA C 6 55.401 56.916 -1.515 1
1 49 . 11 1 1 A 6 6 LYS HA H 6 4.381 4.418 -0.037 1
1 50 . 11 1 1 A 6 6 LYS CB C 6 33.225 35.158 -1.933 1
1 62 . 11 1 1 A 6 6 LYS C C 6 175.948 176.605 -0.657 1
1 63 . 11 1 1 A 7 7 GLU N N 7 122.488 116.336 6.152 1
1 64 . 11 1 1 A 7 7 GLU H H 7 8.577 7.828 0.749 1
1 65 . 11 1 1 A 7 7 GLU CA C 7 55.690 55.360 0.330 1
1 66 . 11 1 1 A 7 7 GLU HA H 7 4.495 4.541 -0.046 1
1 67 . 11 1 1 A 7 7 GLU CB C 7 30.382 30.328 0.054 1
1 73 . 11 1 1 A 7 7 GLU C C 7 174.109 174.807 -0.698 1
1 74 . 11 1 1 A 8 8 LEU N N 8 123.063 123.978 -0.915 1
1 75 . 11 1 1 A 8 8 LEU H H 8 8.485 8.029 0.456 1
1 76 . 11 1 1 A 8 8 LEU CA C 8 53.331 54.931 -1.600 1
1 77 . 11 1 1 A 8 8 LEU HA H 8 5.381 4.299 1.082 1
1 78 . 11 1 1 A 8 8 LEU CB C 8 45.077 42.172 2.905 1
1 91 . 11 1 1 A 8 8 LEU C C 8 177.344 176.446 0.898 1
1 92 . 11 1 1 A 9 9 VAL N N 9 111.683 119.414 -7.731 1
1 93 . 11 1 1 A 9 9 VAL H H 9 9.111 9.461 -0.350 1
1 94 . 11 1 1 A 9 9 VAL CA C 9 57.854 59.176 -1.322 1
1 95 . 11 1 1 A 9 9 VAL HA H 9 5.214 5.165 0.049 1
1 96 . 11 1 1 A 9 9 VAL CB C 9 35.864 34.692 1.172 1
1 106 . 11 1 1 A 9 9 VAL C C 9 172.404 174.063 -1.659 1
1 107 . 11 1 1 A 10 10 LEU N N 10 123.366 126.226 -2.860 1
1 108 . 11 1 1 A 10 10 LEU H H 10 8.971 9.096 -0.125 1
1 109 . 11 1 1 A 10 10 LEU CA C 10 52.445 53.694 -1.249 1
1 110 . 11 1 1 A 10 10 LEU HA H 10 5.100 5.038 0.062 1
1 111 . 11 1 1 A 10 10 LEU CB C 10 46.711 44.504 2.207 1
1 124 . 11 1 1 A 10 10 LEU C C 10 176.568 175.671 0.897 1
1 125 . 11 1 1 A 11 11 ALA N N 11 127.241 129.202 -1.961 1
1 126 . 11 1 1 A 11 11 ALA H H 11 9.160 9.045 0.115 1
1 127 . 11 1 1 A 11 11 ALA CA C 11 52.416 51.224 1.192 1
1 128 . 11 1 1 A 11 11 ALA HA H 11 4.610 4.420 0.190 1
1 132 . 11 1 1 A 11 11 ALA CB C 11 19.051 17.610 1.441 1
1 133 . 11 1 1 A 11 11 ALA C C 11 178.252 177.638 0.614 1
1 134 . 11 1 1 A 12 12 LEU N N 12 127.842 125.573 2.269 1
1 135 . 11 1 1 A 12 12 LEU H H 12 9.257 8.033 1.224 1
1 136 . 11 1 1 A 12 12 LEU CA C 12 55.585 57.658 -2.073 1
1 137 . 11 1 1 A 12 12 LEU HA H 12 3.884 3.804 0.080 1
1 138 . 11 1 1 A 12 12 LEU CB C 12 43.192 41.541 1.651 1
1 151 . 11 1 1 A 12 12 LEU C C 12 174.951 176.473 -1.522 1
1 152 . 11 1 1 A 13 13 TYR N N 13 111.673 115.537 -3.864 1
1 153 . 11 1 1 A 13 13 TYR H H 13 7.129 8.007 -0.878 1
1 154 . 11 1 1 A 13 13 TYR CA C 13 54.530 56.560 -2.030 1
1 155 . 11 1 1 A 13 13 TYR HA H 13 4.617 5.277 -0.660 1
1 156 . 11 1 1 A 13 13 TYR CB C 13 42.982 42.090 0.892 1
1 167 . 11 1 1 A 13 13 TYR C C 13 173.600 175.846 -2.246 1
1 168 . 11 1 1 A 14 14 ASP N N 14 117.888 122.117 -4.229 1
1 169 . 11 1 1 A 14 14 ASP H H 14 8.328 8.849 -0.521 1
1 170 . 11 1 1 A 14 14 ASP CA C 14 54.527 54.248 0.279 1
1 171 . 11 1 1 A 14 14 ASP HA H 14 4.615 4.717 -0.102 1
1 172 . 11 1 1 A 14 14 ASP CB C 14 41.351 41.603 -0.252 1
1 175 . 11 1 1 A 14 14 ASP C C 14 176.125 175.452 0.673 1
1 176 . 11 1 1 A 15 15 TYR N N 15 120.102 121.946 -1.844 1
1 177 . 11 1 1 A 15 15 TYR H H 15 8.733 8.842 -0.109 1
1 178 . 11 1 1 A 15 15 TYR CA C 15 59.669 57.396 2.273 1
1 179 . 11 1 1 A 15 15 TYR HA H 15 4.662 5.087 -0.425 1
1 180 . 11 1 1 A 15 15 TYR CB C 15 43.400 41.944 1.456 1
1 191 . 11 1 1 A 15 15 TYR C C 15 172.803 173.435 -0.632 1
1 192 . 11 1 1 A 16 16 GLN N N 16 126.945 123.410 3.535 1
1 193 . 11 1 1 A 16 16 GLN H H 16 7.546 7.855 -0.309 1
1 194 . 11 1 1 A 16 16 GLN CA C 16 53.820 54.961 -1.141 1
1 195 . 11 1 1 A 16 16 GLN HA H 16 4.500 4.805 -0.305 1
1 196 . 11 1 1 A 16 16 GLN CB C 16 29.378 30.478 -1.100 1
1 202 . 11 1 1 A 16 16 GLN C C 16 173.910 174.725 -0.815 1
1 203 . 11 1 1 A 17 17 GLU N N 17 123.035 124.215 -1.180 1
1 204 . 11 1 1 A 17 17 GLU H H 17 7.930 8.870 -0.940 1
1 205 . 11 1 1 A 17 17 GLU CA C 17 56.078 56.777 -0.699 1
1 206 . 11 1 1 A 17 17 GLU HA H 17 4.211 4.221 -0.010 1
1 207 . 11 1 1 A 17 17 GLU CB C 17 29.520 30.268 -0.748 1
1 213 . 11 1 1 A 17 17 GLU C C 17 175.926 176.857 -0.931 1
1 214 . 11 1 1 A 18 18 LYS N N 18 120.770 119.659 1.111 1
1 215 . 11 1 1 A 18 18 LYS H H 18 8.801 8.769 0.032 1
1 216 . 11 1 1 A 18 18 LYS CA C 18 55.164 56.458 -1.294 1
1 217 . 11 1 1 A 18 18 LYS HA H 18 4.424 4.594 -0.170 1
1 218 . 11 1 1 A 18 18 LYS CB C 18 33.328 34.604 -1.276 1
1 230 . 11 1 1 A 18 18 LYS C C 18 176.192 176.465 -0.273 1
1 231 . 11 1 1 A 19 19 SER N N 19 114.841 115.791 -0.950 1
1 232 . 11 1 1 A 19 19 SER H H 19 7.619 7.997 -0.378 1
1 233 . 11 1 1 A 19 19 SER CA C 19 56.678 55.815 0.863 1
1 234 . 11 1 1 A 19 19 SER HA H 19 4.863 4.943 -0.080 1
1 235 . 11 1 1 A 19 19 SER CB C 19 64.060 64.937 -0.877 1
1 239 . 11 1 1 A 20 20 PRO CA C 20 64.803 64.478 0.325 1
1 240 . 11 1 1 A 20 20 PRO HA H 20 4.549 4.528 0.021 1
1 241 . 11 1 1 A 20 20 PRO CB C 20 31.894 31.846 0.048 1
1 249 . 11 1 1 A 20 20 PRO C C 20 176.679 177.263 -0.584 1
1 250 . 11 1 1 A 21 21 ARG N N 21 113.864 116.100 -2.236 1
1 251 . 11 1 1 A 21 21 ARG H H 21 7.687 8.412 -0.725 1
1 252 . 11 1 1 A 21 21 ARG CA C 21 56.119 56.193 -0.074 1
1 253 . 11 1 1 A 21 21 ARG HA H 21 4.598 4.381 0.217 1
1 254 . 11 1 1 A 21 21 ARG CB C 21 30.299 30.043 0.256 1
1 263 . 11 1 1 A 21 21 ARG C C 21 176.369 175.156 1.213 1
1 264 . 11 1 1 A 22 22 GLU N N 22 121.539 120.926 0.613 1
1 265 . 11 1 1 A 22 22 GLU H H 22 7.842 7.369 0.473 1
1 266 . 11 1 1 A 22 22 GLU CA C 22 54.951 55.334 -0.383 1
1 267 . 11 1 1 A 22 22 GLU HA H 22 5.484 4.921 0.563 1
1 268 . 11 1 1 A 22 22 GLU CB C 22 33.535 33.122 0.413 1
1 274 . 11 1 1 A 22 22 GLU C C 22 174.375 174.637 -0.262 1
1 275 . 11 1 1 A 23 23 VAL N N 23 111.923 118.174 -6.251 1
1 276 . 11 1 1 A 23 23 VAL H H 23 7.373 8.325 -0.952 1
1 277 . 11 1 1 A 23 23 VAL CA C 23 59.570 59.419 0.151 1
1 278 . 11 1 1 A 23 23 VAL HA H 23 4.531 5.111 -0.580 1
1 279 . 11 1 1 A 23 23 VAL CB C 23 34.667 36.341 -1.674 1
1 289 . 11 1 1 A 23 23 VAL C C 23 172.625 173.732 -1.107 1
1 290 . 11 1 1 A 24 24 THR N N 24 117.656 115.504 2.152 1
1 291 . 11 1 1 A 24 24 THR H H 24 7.112 8.795 -1.683 1
1 292 . 11 1 1 A 24 24 THR CA C 24 61.994 60.355 1.639 1
1 293 . 11 1 1 A 24 24 THR HA H 24 5.119 5.115 0.004 1
1 294 . 11 1 1 A 24 24 THR CB C 24 71.220 70.877 0.343 1
1 300 . 11 1 1 A 24 24 THR C C 24 174.309 171.911 2.398 1
1 301 . 11 1 1 A 25 25 MET N N 25 122.056 122.639 -0.583 1
1 302 . 11 1 1 A 25 25 MET H H 25 9.515 8.994 0.521 1
1 303 . 11 1 1 A 25 25 MET CA C 25 54.247 54.404 -0.157 1
1 304 . 11 1 1 A 25 25 MET HA H 25 4.935 5.146 -0.211 1
1 305 . 11 1 1 A 25 25 MET CB C 25 36.287 37.651 -1.364 1
1 312 . 11 1 1 A 25 25 MET C C 25 173.777 174.908 -1.131 1
1 313 . 11 1 1 A 26 26 LYS N N 26 124.668 118.662 6.006 1
1 314 . 11 1 1 A 26 26 LYS H H 26 8.949 8.726 0.223 1
1 315 . 11 1 1 A 26 26 LYS CA C 26 53.476 54.245 -0.769 1
1 316 . 11 1 1 A 26 26 LYS HA H 26 4.896 4.977 -0.081 1
1 317 . 11 1 1 A 26 26 LYS CB C 26 34.097 35.770 -1.673 1
1 327 . 11 1 1 A 26 26 LYS C C 26 174.929 176.215 -1.286 1
1 328 . 11 1 1 A 27 27 LYS N N 27 122.567 121.810 0.757 1
1 329 . 11 1 1 A 27 27 LYS H H 27 9.061 8.379 0.682 1
1 330 . 11 1 1 A 27 27 LYS CA C 27 58.539 57.162 1.377 1
1 331 . 11 1 1 A 27 27 LYS HA H 27 4.656 4.113 0.543 1
1 332 . 11 1 1 A 27 27 LYS CB C 27 32.202 32.013 0.189 1
1 344 . 11 1 1 A 27 27 LYS C C 27 177.344 177.038 0.306 1
1 345 . 11 1 1 A 28 28 GLY N N 28 115.884 112.938 2.946 1
1 346 . 11 1 1 A 28 28 GLY H H 28 8.900 9.006 -0.106 1
1 347 . 11 1 1 A 28 28 GLY CA C 28 44.779 45.564 -0.785 1
1 348 . 11 1 1 A 28 28 GLY HA2 H 28 3.523 3.925 -0.402 1
1 349 . 11 1 1 A 28 28 GLY HA3 H 28 4.469 3.934 0.535 1
1 350 . 11 1 1 A 28 28 GLY C C 28 174.021 173.565 0.456 1
1 351 . 11 1 1 A 29 29 ASP N N 29 122.466 120.533 1.933 1
1 352 . 11 1 1 A 29 29 ASP H H 29 8.513 8.097 0.416 1
1 353 . 11 1 1 A 29 29 ASP CA C 29 55.711 53.022 2.689 1
1 354 . 11 1 1 A 29 29 ASP HA H 29 4.523 4.927 -0.404 1
1 355 . 11 1 1 A 29 29 ASP CB C 29 41.361 42.684 -1.323 1
1 358 . 11 1 1 A 29 29 ASP C C 29 174.331 175.289 -0.958 1
1 359 . 11 1 1 A 30 30 ILE N N 30 120.470 121.789 -1.319 1
1 360 . 11 1 1 A 30 30 ILE H H 30 8.204 8.450 -0.246 1
1 361 . 11 1 1 A 30 30 ILE CA C 30 60.164 60.452 -0.288 1
1 362 . 11 1 1 A 30 30 ILE HA H 30 5.025 5.369 -0.344 1
1 363 . 11 1 1 A 30 30 ILE CB C 30 38.257 41.926 -3.669 1
1 372 . 11 1 1 A 30 30 ILE C C 30 176.236 175.132 1.104 1
1 373 . 11 1 1 A 31 31 LEU N N 31 128.265 126.486 1.779 1
1 374 . 11 1 1 A 31 31 LEU H H 31 9.353 8.912 0.441 1
1 375 . 11 1 1 A 31 31 LEU CA C 31 53.601 53.807 -0.206 1
1 376 . 11 1 1 A 31 31 LEU HA H 31 4.998 5.111 -0.113 1
1 377 . 11 1 1 A 31 31 LEU CB C 31 43.893 45.883 -1.990 1
1 388 . 11 1 1 A 31 31 LEU C C 31 175.638 175.793 -0.155 1
1 389 . 11 1 1 A 32 32 THR N N 32 117.089 119.992 -2.903 1
1 390 . 11 1 1 A 32 32 THR H H 32 8.141 8.778 -0.637 1
1 391 . 11 1 1 A 32 32 THR CA C 32 63.263 62.947 0.316 1
1 392 . 11 1 1 A 32 32 THR HA H 32 4.619 4.462 0.157 1
1 393 . 11 1 1 A 32 32 THR CB C 32 69.867 69.161 0.706 1
1 399 . 11 1 1 A 32 32 THR C C 32 173.600 173.914 -0.314 1
1 400 . 11 1 1 A 33 33 LEU N N 33 129.212 127.973 1.239 1
1 401 . 11 1 1 A 33 33 LEU H H 33 9.070 8.500 0.570 1
1 402 . 11 1 1 A 33 33 LEU CA C 33 54.671 55.091 -0.420 1
1 403 . 11 1 1 A 33 33 LEU HA H 33 4.356 4.506 -0.150 1
1 404 . 11 1 1 A 33 33 LEU CB C 33 42.968 42.242 0.726 1
1 417 . 11 1 1 A 33 33 LEU C C 33 174.553 175.661 -1.108 1
1 418 . 11 1 1 A 34 34 LEU N N 34 125.880 128.634 -2.754 1
1 419 . 11 1 1 A 34 34 LEU H H 34 9.051 9.379 -0.328 1
1 420 . 11 1 1 A 34 34 LEU CA C 34 54.811 55.891 -1.080 1
1 421 . 11 1 1 A 34 34 LEU HA H 34 4.532 4.426 0.106 1
1 422 . 11 1 1 A 34 34 LEU CB C 34 42.977 42.663 0.314 1
1 434 . 11 1 1 A 34 34 LEU C C 34 177.477 176.741 0.736 1
1 435 . 11 1 1 A 35 35 ASN N N 35 113.971 114.789 -0.818 1
1 436 . 11 1 1 A 35 35 ASN H H 35 7.600 7.695 -0.095 1
1 437 . 11 1 1 A 35 35 ASN CA C 35 54.543 52.995 1.548 1
1 438 . 11 1 1 A 35 35 ASN HA H 35 4.680 5.008 -0.328 1
1 439 . 11 1 1 A 35 35 ASN CB C 35 40.958 42.247 -1.289 1
1 443 . 11 1 1 A 35 35 ASN C C 35 174.375 174.242 0.133 1
1 444 . 11 1 1 A 36 36 SER N N 36 123.815 116.145 7.670 1
1 445 . 11 1 1 A 36 36 SER H H 36 9.194 8.464 0.730 1
1 446 . 11 1 1 A 36 36 SER CA C 36 56.692 56.688 0.004 1
1 447 . 11 1 1 A 36 36 SER HA H 36 3.921 4.961 -1.040 1
1 448 . 11 1 1 A 36 36 SER CB C 36 62.180 62.629 -0.449 1
1 451 . 11 1 1 A 36 36 SER C C 36 173.401 175.597 -2.196 1
1 452 . 11 1 1 A 37 37 THR N N 37 115.041 115.724 -0.683 1
1 453 . 11 1 1 A 37 37 THR H H 37 8.178 8.346 -0.168 1
1 454 . 11 1 1 A 37 37 THR CA C 37 65.484 64.820 0.664 1
1 455 . 11 1 1 A 37 37 THR HA H 37 4.528 4.086 0.442 1
1 456 . 11 1 1 A 37 37 THR CB C 37 69.416 68.754 0.662 1
1 462 . 11 1 1 A 37 37 THR C C 37 175.261 174.687 0.574 1
1 463 . 11 1 1 A 38 38 ASN N N 38 122.494 120.693 1.801 1
1 464 . 11 1 1 A 38 38 ASN H H 38 8.674 8.126 0.548 1
1 465 . 11 1 1 A 38 38 ASN CA C 38 53.188 51.409 1.779 1
1 466 . 11 1 1 A 38 38 ASN HA H 38 4.863 5.203 -0.340 1
1 467 . 11 1 1 A 38 38 ASN CB C 38 40.525 41.345 -0.820 1
1 470 . 11 1 1 A 38 38 ASN C C 38 174.575 175.566 -0.991 1
1 471 . 11 1 1 A 39 39 LYS N N 39 120.915 121.519 -0.604 1
1 472 . 11 1 1 A 39 39 LYS H H 39 8.510 8.531 -0.021 1
1 473 . 11 1 1 A 39 39 LYS CA C 39 58.333 57.048 1.285 1
1 474 . 11 1 1 A 39 39 LYS HA H 39 4.247 4.943 -0.696 1
1 475 . 11 1 1 A 39 39 LYS CB C 39 32.520 34.275 -1.755 1
1 485 . 11 1 1 A 39 39 LYS C C 39 176.236 177.971 -1.735 1
1 486 . 11 1 1 A 40 40 ASP N N 40 114.628 118.129 -3.501 1
1 487 . 11 1 1 A 40 40 ASP H H 40 8.173 7.953 0.220 1
1 488 . 11 1 1 A 40 40 ASP CA C 40 55.380 56.017 -0.637 1
1 489 . 11 1 1 A 40 40 ASP HA H 40 4.544 4.340 0.204 1
1 490 . 11 1 1 A 40 40 ASP CB C 40 43.415 42.162 1.253 1
1 493 . 11 1 1 A 40 40 ASP C C 40 176.967 175.881 1.086 1
1 494 . 11 1 1 A 41 41 TRP N N 41 122.703 115.563 7.140 1
1 495 . 11 1 1 A 41 41 TRP H H 41 8.209 7.620 0.589 1
1 496 . 11 1 1 A 41 41 TRP CA C 41 56.184 55.980 0.204 1
1 497 . 11 1 1 A 41 41 TRP HA H 41 5.075 5.422 -0.347 1
1 498 . 11 1 1 A 41 41 TRP CB C 41 32.019 33.276 -1.257 1
1 513 . 11 1 1 A 41 41 TRP C C 41 174.176 175.390 -1.214 1
1 514 . 11 1 1 A 42 42 TRP N N 42 124.895 122.970 1.925 1
1 515 . 11 1 1 A 42 42 TRP H H 42 9.366 9.206 0.160 1
1 516 . 11 1 1 A 42 42 TRP CA C 42 54.076 55.598 -1.522 1
1 517 . 11 1 1 A 42 42 TRP HA H 42 5.523 5.329 0.194 1
1 518 . 11 1 1 A 42 42 TRP CB C 42 31.447 32.728 -1.281 1
1 533 . 11 1 1 A 42 42 TRP C C 42 174.109 175.427 -1.318 1
1 534 . 11 1 1 A 43 43 LYS N N 43 124.120 124.596 -0.476 1
1 535 . 11 1 1 A 43 43 LYS H H 43 8.883 8.996 -0.113 1
1 536 . 11 1 1 A 43 43 LYS CA C 43 55.158 55.992 -0.834 1
1 537 . 11 1 1 A 43 43 LYS HA H 43 4.368 4.837 -0.469 1
1 538 . 11 1 1 A 43 43 LYS CB C 43 33.794 33.362 0.432 1
1 550 . 11 1 1 A 43 43 LYS C C 43 175.416 176.114 -0.698 1
1 551 . 11 1 1 A 44 44 VAL N N 44 122.055 121.203 0.852 1
1 552 . 11 1 1 A 44 44 VAL H H 44 9.427 9.006 0.421 1
1 553 . 11 1 1 A 44 44 VAL CA C 44 58.825 59.127 -0.302 1
1 554 . 11 1 1 A 44 44 VAL HA H 44 5.375 5.241 0.134 1
1 555 . 11 1 1 A 44 44 VAL CB C 44 36.593 35.035 1.558 1
1 565 . 11 1 1 A 44 44 VAL C C 44 173.223 173.575 -0.352 1
1 566 . 11 1 1 A 45 45 GLU N N 45 118.673 122.435 -3.762 1
1 567 . 11 1 1 A 45 45 GLU H H 45 8.733 8.881 -0.148 1
1 568 . 11 1 1 A 45 45 GLU CA C 45 54.249 54.851 -0.602 1
1 569 . 11 1 1 A 45 45 GLU HA H 45 5.432 4.990 0.442 1
1 570 . 11 1 1 A 45 45 GLU CB C 45 33.286 31.753 1.533 1
1 576 . 11 1 1 A 45 45 GLU C C 45 174.774 175.518 -0.744 1
1 577 . 11 1 1 A 46 46 VAL N N 46 123.551 121.830 1.721 1
1 578 . 11 1 1 A 46 46 VAL H H 46 9.058 9.312 -0.254 1
1 579 . 11 1 1 A 46 46 VAL CA C 46 59.627 59.395 0.232 1
1 580 . 11 1 1 A 46 46 VAL HA H 46 4.669 5.058 -0.389 1
1 581 . 11 1 1 A 46 46 VAL CB C 46 35.290 34.529 0.761 1
1 590 . 11 1 1 A 46 46 VAL C C 46 173.534 173.918 -0.384 1
1 591 . 11 1 1 A 47 47 LYS N N 47 124.992 122.599 2.393 1
1 592 . 11 1 1 A 47 47 LYS H H 47 8.446 8.555 -0.109 1
1 593 . 11 1 1 A 47 47 LYS CA C 47 55.905 55.147 0.758 1
1 594 . 11 1 1 A 47 47 LYS HA H 47 4.763 4.872 -0.109 1
1 595 . 11 1 1 A 47 47 LYS CB C 47 33.450 34.029 -0.579 1
1 605 . 11 1 1 A 47 47 LYS C C 47 175.306 175.125 0.181 1
1 606 . 11 1 1 A 48 48 ALA N N 48 128.781 128.065 0.716 1
1 607 . 11 1 1 A 48 48 ALA H H 48 8.757 8.714 0.043 1
1 608 . 11 1 1 A 48 48 ALA CA C 48 50.828 50.068 0.760 1
1 609 . 11 1 1 A 48 48 ALA HA H 48 4.616 5.133 -0.517 1
1 613 . 11 1 1 A 48 48 ALA CB C 48 21.741 21.627 0.114 1
1 614 . 11 1 1 A 48 48 ALA C C 48 175.173 175.399 -0.226 1
1 615 . 11 1 1 A 49 49 THR N N 49 113.585 117.831 -4.246 1
1 616 . 11 1 1 A 49 49 THR H H 49 8.333 8.562 -0.229 1
1 617 . 11 1 1 A 49 49 THR CA C 49 60.826 61.982 -1.156 1
1 618 . 11 1 1 A 49 49 THR HA H 49 5.257 5.145 0.112 1
1 619 . 11 1 1 A 49 49 THR CB C 49 71.045 69.647 1.398 1
1 624 . 11 1 1 A 49 49 THR C C 49 174.176 173.668 0.508 1
1 625 . 11 1 1 A 50 50 ALA N N 50 127.142 128.134 -0.992 1
1 626 . 11 1 1 A 50 50 ALA H H 50 8.914 9.079 -0.165 1
1 627 . 11 1 1 A 50 50 ALA CA C 50 52.345 50.868 1.477 1
1 628 . 11 1 1 A 50 50 ALA HA H 50 4.603 4.883 -0.280 1
1 632 . 11 1 1 A 50 50 ALA CB C 50 20.935 21.958 -1.023 1
1 633 . 11 1 1 A 50 50 ALA C C 50 177.299 176.695 0.604 1
1 634 . 11 1 1 A 51 51 ASN N N 51 121.555 123.306 -1.751 1
1 635 . 11 1 1 A 51 51 ASN H H 51 9.491 9.333 0.158 1
1 636 . 11 1 1 A 51 51 ASN CA C 51 54.177 54.420 -0.243 1
1 637 . 11 1 1 A 51 51 ASN HA H 51 4.389 4.447 -0.058 1
1 638 . 11 1 1 A 51 51 ASN CB C 51 37.413 37.044 0.369 1
1 641 . 11 1 1 A 51 51 ASN C C 51 175.106 175.392 -0.286 1
1 642 . 11 1 1 A 52 52 GLY N N 52 103.942 104.729 -0.787 1
1 643 . 11 1 1 A 52 52 GLY H H 52 8.681 8.540 0.141 1
1 644 . 11 1 1 A 52 52 GLY CA C 52 45.443 45.544 -0.101 1
1 645 . 11 1 1 A 52 52 GLY HA2 H 52 3.624 3.871 -0.247 1
1 646 . 11 1 1 A 52 52 GLY HA3 H 52 4.143 3.873 0.270 1
1 647 . 11 1 1 A 52 52 GLY C C 52 173.666 173.686 -0.020 1
1 648 . 11 1 1 A 53 53 LYS N N 53 121.213 120.631 0.582 1
1 649 . 11 1 1 A 53 53 LYS H H 53 7.893 8.106 -0.213 1
1 650 . 11 1 1 A 53 53 LYS CA C 53 54.807 54.562 0.245 1
1 651 . 11 1 1 A 53 53 LYS HA H 53 4.727 4.614 0.113 1
1 652 . 11 1 1 A 53 53 LYS CB C 53 34.737 34.245 0.492 1
1 664 . 11 1 1 A 53 53 LYS C C 53 175.239 176.358 -1.119 1
1 665 . 11 1 1 A 54 54 THR N N 54 118.501 114.770 3.731 1
1 666 . 11 1 1 A 54 54 THR H H 54 8.498 8.735 -0.237 1
1 667 . 11 1 1 A 54 54 THR CA C 54 61.925 61.045 0.880 1
1 668 . 11 1 1 A 54 54 THR HA H 54 5.117 5.515 -0.398 1
1 669 . 11 1 1 A 54 54 THR CB C 54 70.294 70.243 0.051 1
1 675 . 11 1 1 A 54 54 THR C C 54 173.733 173.721 0.012 1
1 676 . 11 1 1 A 55 55 TYR N N 55 125.105 119.953 5.152 1
1 677 . 11 1 1 A 55 55 TYR H H 55 9.122 9.311 -0.189 1
1 678 . 11 1 1 A 55 55 TYR CA C 55 56.149 55.083 1.066 1
1 679 . 11 1 1 A 55 55 TYR HA H 55 4.857 5.764 -0.907 1
1 680 . 11 1 1 A 55 55 TYR CB C 55 40.090 41.908 -1.818 1
1 691 . 11 1 1 A 55 55 TYR C C 55 172.847 174.605 -1.758 1
1 692 . 11 1 1 A 56 56 GLU N N 56 119.744 121.764 -2.020 1
1 693 . 11 1 1 A 56 56 GLU H H 56 8.503 8.940 -0.437 1
1 694 . 11 1 1 A 56 56 GLU CA C 56 54.739 56.831 -2.092 1
1 695 . 11 1 1 A 56 56 GLU HA H 56 5.030 4.667 0.363 1
1 696 . 11 1 1 A 56 56 GLU CB C 56 30.297 30.370 -0.073 1
1 701 . 11 1 1 A 56 56 GLU C C 56 175.394 176.343 -0.949 1
1 702 . 11 1 1 A 57 57 ARG N N 57 123.665 121.843 1.822 1
1 703 . 11 1 1 A 57 57 ARG H H 57 8.897 9.380 -0.483 1
1 704 . 11 1 1 A 57 57 ARG CA C 57 54.944 54.474 0.470 1
1 705 . 11 1 1 A 57 57 ARG HA H 57 4.663 5.083 -0.420 1
1 706 . 11 1 1 A 57 57 ARG CB C 57 33.471 33.726 -0.255 1
1 713 . 11 1 1 A 57 57 ARG C C 57 174.198 174.364 -0.166 1
1 714 . 11 1 1 A 58 58 GLN N N 58 119.967 121.984 -2.017 1
1 715 . 11 1 1 A 58 58 GLN H H 58 8.604 8.604 0.000 1
1 716 . 11 1 1 A 58 58 GLN CA C 58 53.394 54.706 -1.312 1
1 717 . 11 1 1 A 58 58 GLN HA H 58 5.602 5.097 0.505 1
1 718 . 11 1 1 A 58 58 GLN CB C 58 31.229 30.180 1.049 1
1 724 . 11 1 1 A 58 58 GLN C C 58 175.771 175.581 0.190 1
1 725 . 11 1 1 A 59 59 GLY N N 59 107.507 109.209 -1.702 1
1 726 . 11 1 1 A 59 59 GLY H H 59 8.652 8.878 -0.226 1
1 727 . 11 1 1 A 59 59 GLY CA C 59 45.583 45.162 0.421 1
1 728 . 11 1 1 A 59 59 GLY HA2 H 59 3.947 4.164 -0.217 1
1 729 . 11 1 1 A 59 59 GLY HA3 H 59 3.947 4.322 -0.375 1
1 730 . 11 1 1 A 59 59 GLY C C 59 170.255 171.748 -1.493 1
1 731 . 11 1 1 A 60 60 PHE N N 60 119.079 119.189 -0.110 1
1 732 . 11 1 1 A 60 60 PHE H H 60 9.153 8.667 0.486 1
1 733 . 11 1 1 A 60 60 PHE CA C 60 58.544 56.833 1.711 1
1 734 . 11 1 1 A 60 60 PHE HA H 60 5.666 5.611 0.055 1
1 735 . 11 1 1 A 60 60 PHE CB C 60 42.484 42.321 0.163 1
1 748 . 11 1 1 A 60 60 PHE C C 60 175.461 175.388 0.073 1
1 749 . 11 1 1 A 61 61 VAL N N 61 110.995 116.745 -5.750 1
1 750 . 11 1 1 A 61 61 VAL H H 61 9.065 9.104 -0.039 1
1 751 . 11 1 1 A 61 61 VAL CA C 61 58.189 58.129 0.060 1
1 752 . 11 1 1 A 61 61 VAL HA H 61 4.823 4.952 -0.129 1
1 753 . 11 1 1 A 61 61 VAL CB C 61 33.521 34.598 -1.077 1
1 764 . 11 1 1 A 62 62 PRO CA C 62 61.852 61.780 0.072 1
1 765 . 11 1 1 A 62 62 PRO HA H 62 3.556 3.696 -0.140 1
1 766 . 11 1 1 A 62 62 PRO CB C 62 29.777 30.774 -0.997 1
1 774 . 11 1 1 A 62 62 PRO C C 62 177.787 177.259 0.528 1
1 775 . 11 1 1 A 63 63 ALA N N 63 129.142 127.739 1.403 1
1 776 . 11 1 1 A 63 63 ALA H H 63 7.477 8.331 -0.854 1
1 777 . 11 1 1 A 63 63 ALA CA C 63 54.472 53.567 0.905 1
1 778 . 11 1 1 A 63 63 ALA HA H 63 2.652 3.024 -0.372 1
1 782 . 11 1 1 A 63 63 ALA CB C 63 15.666 17.215 -1.549 1
1 783 . 11 1 1 A 63 63 ALA C C 63 178.429 178.482 -0.053 1
1 784 . 11 1 1 A 64 64 ALA N N 64 113.522 119.395 -5.873 1
1 785 . 11 1 1 A 64 64 ALA H H 64 7.867 7.380 0.487 1
1 786 . 11 1 1 A 64 64 ALA CA C 64 52.768 54.235 -1.467 1
1 787 . 11 1 1 A 64 64 ALA HA H 64 4.006 3.985 0.021 1
1 791 . 11 1 1 A 64 64 ALA CB C 64 17.629 18.130 -0.501 1
1 792 . 11 1 1 A 64 64 ALA C C 64 178.097 178.104 -0.007 1
1 793 . 11 1 1 A 65 65 TYR N N 65 116.109 116.407 -0.298 1
1 794 . 11 1 1 A 65 65 TYR H H 65 7.698 7.935 -0.237 1
1 795 . 11 1 1 A 65 65 TYR CA C 65 56.328 58.980 -2.652 1
1 796 . 11 1 1 A 65 65 TYR HA H 65 4.758 4.764 -0.006 1
1 797 . 11 1 1 A 65 65 TYR CB C 65 37.765 40.327 -2.562 1
1 808 . 11 1 1 A 65 65 TYR C C 65 174.375 175.805 -1.430 1
1 809 . 11 1 1 A 66 66 VAL N N 66 111.053 114.384 -3.331 1
1 810 . 11 1 1 A 66 66 VAL H H 66 7.415 7.188 0.227 1
1 811 . 11 1 1 A 66 66 VAL CA C 66 58.119 59.094 -0.975 1
1 812 . 11 1 1 A 66 66 VAL HA H 66 5.538 5.221 0.317 1
1 813 . 11 1 1 A 66 66 VAL CB C 66 35.809 34.934 0.875 1
1 823 . 11 1 1 A 66 66 VAL C C 66 173.511 174.041 -0.530 1
1 824 . 11 1 1 A 67 67 LYS N N 67 118.588 121.973 -3.385 1
1 825 . 11 1 1 A 67 67 LYS H H 67 8.631 8.983 -0.352 1
1 826 . 11 1 1 A 67 67 LYS CA C 67 54.035 54.478 -0.443 1
1 827 . 11 1 1 A 67 67 LYS HA H 67 4.830 5.660 -0.830 1
1 828 . 11 1 1 A 67 67 LYS CB C 67 36.779 36.323 0.456 1
1 838 . 11 1 1 A 67 67 LYS C C 67 175.992 175.472 0.520 1
1 839 . 11 1 1 A 68 68 LYS N N 68 125.838 120.572 5.266 1
1 840 . 11 1 1 A 68 68 LYS H H 68 9.227 8.353 0.874 1
1 841 . 11 1 1 A 68 68 LYS CA C 68 58.335 56.310 2.025 1
1 842 . 11 1 1 A 68 68 LYS HA H 68 4.494 4.177 0.317 1
1 843 . 11 1 1 A 68 68 LYS CB C 68 32.893 32.713 0.180 1
1 853 . 11 1 1 A 68 68 LYS C C 68 176.657 176.537 0.120 1
1 854 . 11 1 1 A 69 69 LEU N N 69 125.443 124.057 1.386 1
1 855 . 11 1 1 A 69 69 LEU H H 69 8.449 8.838 -0.389 1
1 856 . 11 1 1 A 69 69 LEU CA C 69 54.873 53.344 1.529 1
1 857 . 11 1 1 A 69 69 LEU HA H 69 4.437 4.692 -0.255 1
1 858 . 11 1 1 A 69 69 LEU CB C 69 42.345 42.139 0.206 1
1 871 . 11 1 1 A 69 69 LEU C C 69 176.147 175.720 0.427 1
1 10 . 12 1 1 A 2 2 ASP N N 2 123.485 120.340 3.145 1
1 11 . 12 1 1 A 2 2 ASP H H 2 8.809 7.835 0.974 1
1 12 . 12 1 1 A 2 2 ASP CA C 2 54.244 53.575 0.669 1
1 13 . 12 1 1 A 2 2 ASP HA H 2 4.673 4.833 -0.160 1
1 14 . 12 1 1 A 2 2 ASP CB C 2 40.452 39.205 1.247 1
1 17 . 12 1 1 A 2 2 ASP C C 2 175.771 176.307 -0.536 1
1 18 . 12 1 1 A 3 3 GLU N N 3 121.725 118.977 2.748 1
1 19 . 12 1 1 A 3 3 GLU H H 3 8.684 8.122 0.562 1
1 20 . 12 1 1 A 3 3 GLU CA C 3 56.162 55.998 0.164 1
1 21 . 12 1 1 A 3 3 GLU HA H 3 4.392 4.666 -0.274 1
1 22 . 12 1 1 A 3 3 GLU CB C 3 29.170 29.419 -0.249 1
1 28 . 12 1 1 A 3 3 GLU C C 3 176.546 175.363 1.183 1
1 29 . 12 1 1 A 4 4 THR N N 4 114.384 111.393 2.991 1
1 30 . 12 1 1 A 4 4 THR H H 4 8.303 7.869 0.434 1
1 31 . 12 1 1 A 4 4 THR CA C 4 62.347 60.789 1.558 1
1 32 . 12 1 1 A 4 4 THR HA H 4 4.278 4.780 -0.502 1
1 33 . 12 1 1 A 4 4 THR CB C 4 69.672 70.953 -1.281 1
1 39 . 12 1 1 A 4 4 THR C C 4 175.306 173.475 1.831 1
1 40 . 12 1 1 A 5 5 GLY N N 5 111.296 110.366 0.930 1
1 41 . 12 1 1 A 5 5 GLY H H 5 8.422 8.470 -0.048 1
1 42 . 12 1 1 A 5 5 GLY CA C 5 45.302 45.451 -0.149 1
1 43 . 12 1 1 A 5 5 GLY HA2 H 5 3.928 3.985 -0.057 1
1 44 . 12 1 1 A 5 5 GLY HA3 H 5 3.928 3.986 -0.058 1
1 45 . 12 1 1 A 5 5 GLY C C 5 173.689 174.968 -1.279 1
1 46 . 12 1 1 A 6 6 LYS N N 6 119.850 117.651 2.199 1
1 47 . 12 1 1 A 6 6 LYS H H 6 8.008 8.299 -0.291 1
1 48 . 12 1 1 A 6 6 LYS CA C 6 55.401 57.189 -1.788 1
1 49 . 12 1 1 A 6 6 LYS HA H 6 4.381 4.405 -0.024 1
1 50 . 12 1 1 A 6 6 LYS CB C 6 33.225 34.858 -1.633 1
1 62 . 12 1 1 A 6 6 LYS C C 6 175.948 176.083 -0.135 1
1 63 . 12 1 1 A 7 7 GLU N N 7 122.488 115.960 6.528 1
1 64 . 12 1 1 A 7 7 GLU H H 7 8.577 7.665 0.912 1
1 65 . 12 1 1 A 7 7 GLU CA C 7 55.690 55.523 0.167 1
1 66 . 12 1 1 A 7 7 GLU HA H 7 4.495 4.825 -0.330 1
1 67 . 12 1 1 A 7 7 GLU CB C 7 30.382 33.550 -3.168 1
1 73 . 12 1 1 A 7 7 GLU C C 7 174.109 174.484 -0.375 1
1 74 . 12 1 1 A 8 8 LEU N N 8 123.063 121.961 1.102 1
1 75 . 12 1 1 A 8 8 LEU H H 8 8.485 8.541 -0.056 1
1 76 . 12 1 1 A 8 8 LEU CA C 8 53.331 53.483 -0.152 1
1 77 . 12 1 1 A 8 8 LEU HA H 8 5.381 5.041 0.340 1
1 78 . 12 1 1 A 8 8 LEU CB C 8 45.077 46.293 -1.216 1
1 91 . 12 1 1 A 8 8 LEU C C 8 177.344 175.794 1.550 1
1 92 . 12 1 1 A 9 9 VAL N N 9 111.683 117.910 -6.227 1
1 93 . 12 1 1 A 9 9 VAL H H 9 9.111 9.279 -0.168 1
1 94 . 12 1 1 A 9 9 VAL CA C 9 57.854 59.120 -1.266 1
1 95 . 12 1 1 A 9 9 VAL HA H 9 5.214 5.053 0.161 1
1 96 . 12 1 1 A 9 9 VAL CB C 9 35.864 35.175 0.689 1
1 106 . 12 1 1 A 9 9 VAL C C 9 172.404 174.111 -1.707 1
1 107 . 12 1 1 A 10 10 LEU N N 10 123.366 126.436 -3.070 1
1 108 . 12 1 1 A 10 10 LEU H H 10 8.971 9.122 -0.151 1
1 109 . 12 1 1 A 10 10 LEU CA C 10 52.445 53.847 -1.402 1
1 110 . 12 1 1 A 10 10 LEU HA H 10 5.100 4.877 0.223 1
1 111 . 12 1 1 A 10 10 LEU CB C 10 46.711 44.457 2.254 1
1 124 . 12 1 1 A 10 10 LEU C C 10 176.568 175.610 0.958 1
1 125 . 12 1 1 A 11 11 ALA N N 11 127.241 128.595 -1.354 1
1 126 . 12 1 1 A 11 11 ALA H H 11 9.160 9.013 0.147 1
1 127 . 12 1 1 A 11 11 ALA CA C 11 52.416 51.467 0.949 1
1 128 . 12 1 1 A 11 11 ALA HA H 11 4.610 4.623 -0.013 1
1 132 . 12 1 1 A 11 11 ALA CB C 11 19.051 19.695 -0.644 1
1 133 . 12 1 1 A 11 11 ALA C C 11 178.252 176.798 1.454 1
1 134 . 12 1 1 A 12 12 LEU N N 12 127.842 124.909 2.933 1
1 135 . 12 1 1 A 12 12 LEU H H 12 9.257 9.434 -0.177 1
1 136 . 12 1 1 A 12 12 LEU CA C 12 55.585 56.032 -0.447 1
1 137 . 12 1 1 A 12 12 LEU HA H 12 3.884 4.273 -0.389 1
1 138 . 12 1 1 A 12 12 LEU CB C 12 43.192 42.664 0.528 1
1 151 . 12 1 1 A 12 12 LEU C C 12 174.951 176.255 -1.304 1
1 152 . 12 1 1 A 13 13 TYR N N 13 111.673 115.838 -4.165 1
1 153 . 12 1 1 A 13 13 TYR H H 13 7.129 7.874 -0.745 1
1 154 . 12 1 1 A 13 13 TYR CA C 13 54.530 56.308 -1.778 1
1 155 . 12 1 1 A 13 13 TYR HA H 13 4.617 5.142 -0.525 1
1 156 . 12 1 1 A 13 13 TYR CB C 13 42.982 41.317 1.665 1
1 167 . 12 1 1 A 13 13 TYR C C 13 173.600 175.106 -1.506 1
1 168 . 12 1 1 A 14 14 ASP N N 14 117.888 124.515 -6.627 1
1 169 . 12 1 1 A 14 14 ASP H H 14 8.328 8.813 -0.485 1
1 170 . 12 1 1 A 14 14 ASP CA C 14 54.527 54.419 0.108 1
1 171 . 12 1 1 A 14 14 ASP HA H 14 4.615 4.885 -0.270 1
1 172 . 12 1 1 A 14 14 ASP CB C 14 41.351 41.871 -0.520 1
1 175 . 12 1 1 A 14 14 ASP C C 14 176.125 175.135 0.990 1
1 176 . 12 1 1 A 15 15 TYR N N 15 120.102 124.111 -4.009 1
1 177 . 12 1 1 A 15 15 TYR H H 15 8.733 8.796 -0.063 1
1 178 . 12 1 1 A 15 15 TYR CA C 15 59.669 57.705 1.964 1
1 179 . 12 1 1 A 15 15 TYR HA H 15 4.662 5.197 -0.535 1
1 180 . 12 1 1 A 15 15 TYR CB C 15 43.400 42.602 0.798 1
1 191 . 12 1 1 A 15 15 TYR C C 15 172.803 173.174 -0.371 1
1 192 . 12 1 1 A 16 16 GLN N N 16 126.945 126.059 0.886 1
1 193 . 12 1 1 A 16 16 GLN H H 16 7.546 8.079 -0.533 1
1 194 . 12 1 1 A 16 16 GLN CA C 16 53.820 54.170 -0.350 1
1 195 . 12 1 1 A 16 16 GLN HA H 16 4.500 5.125 -0.625 1
1 196 . 12 1 1 A 16 16 GLN CB C 16 29.378 31.799 -2.421 1
1 202 . 12 1 1 A 16 16 GLN C C 16 173.910 174.801 -0.891 1
1 203 . 12 1 1 A 17 17 GLU N N 17 123.035 124.617 -1.582 1
1 204 . 12 1 1 A 17 17 GLU H H 17 7.930 9.155 -1.225 1
1 205 . 12 1 1 A 17 17 GLU CA C 17 56.078 56.797 -0.719 1
1 206 . 12 1 1 A 17 17 GLU HA H 17 4.211 4.253 -0.042 1
1 207 . 12 1 1 A 17 17 GLU CB C 17 29.520 30.355 -0.835 1
1 213 . 12 1 1 A 17 17 GLU C C 17 175.926 177.140 -1.214 1
1 214 . 12 1 1 A 18 18 LYS N N 18 120.770 119.535 1.235 1
1 215 . 12 1 1 A 18 18 LYS H H 18 8.801 8.813 -0.012 1
1 216 . 12 1 1 A 18 18 LYS CA C 18 55.164 55.925 -0.761 1
1 217 . 12 1 1 A 18 18 LYS HA H 18 4.424 4.636 -0.212 1
1 218 . 12 1 1 A 18 18 LYS CB C 18 33.328 33.989 -0.661 1
1 230 . 12 1 1 A 18 18 LYS C C 18 176.192 176.169 0.023 1
1 231 . 12 1 1 A 19 19 SER N N 19 114.841 115.214 -0.373 1
1 232 . 12 1 1 A 19 19 SER H H 19 7.619 7.691 -0.072 1
1 233 . 12 1 1 A 19 19 SER CA C 19 56.678 55.836 0.842 1
1 234 . 12 1 1 A 19 19 SER HA H 19 4.863 4.962 -0.099 1
1 235 . 12 1 1 A 19 19 SER CB C 19 64.060 65.590 -1.530 1
1 239 . 12 1 1 A 20 20 PRO CA C 20 64.803 64.487 0.316 1
1 240 . 12 1 1 A 20 20 PRO HA H 20 4.549 4.524 0.025 1
1 241 . 12 1 1 A 20 20 PRO CB C 20 31.894 31.818 0.076 1
1 249 . 12 1 1 A 20 20 PRO C C 20 176.679 177.307 -0.628 1
1 250 . 12 1 1 A 21 21 ARG N N 21 113.864 117.885 -4.021 1
1 251 . 12 1 1 A 21 21 ARG H H 21 7.687 8.090 -0.403 1
1 252 . 12 1 1 A 21 21 ARG CA C 21 56.119 55.592 0.527 1
1 253 . 12 1 1 A 21 21 ARG HA H 21 4.598 4.612 -0.014 1
1 254 . 12 1 1 A 21 21 ARG CB C 21 30.299 30.850 -0.551 1
1 263 . 12 1 1 A 21 21 ARG C C 21 176.369 175.343 1.026 1
1 264 . 12 1 1 A 22 22 GLU N N 22 121.539 120.593 0.946 1
1 265 . 12 1 1 A 22 22 GLU H H 22 7.842 7.409 0.433 1
1 266 . 12 1 1 A 22 22 GLU CA C 22 54.951 54.678 0.273 1
1 267 . 12 1 1 A 22 22 GLU HA H 22 5.484 4.969 0.515 1
1 268 . 12 1 1 A 22 22 GLU CB C 22 33.535 32.821 0.714 1
1 274 . 12 1 1 A 22 22 GLU C C 22 174.375 174.574 -0.199 1
1 275 . 12 1 1 A 23 23 VAL N N 23 111.923 118.004 -6.081 1
1 276 . 12 1 1 A 23 23 VAL H H 23 7.373 8.865 -1.492 1
1 277 . 12 1 1 A 23 23 VAL CA C 23 59.570 59.258 0.312 1
1 278 . 12 1 1 A 23 23 VAL HA H 23 4.531 5.065 -0.534 1
1 279 . 12 1 1 A 23 23 VAL CB C 23 34.667 36.447 -1.780 1
1 289 . 12 1 1 A 23 23 VAL C C 23 172.625 174.883 -2.258 1
1 290 . 12 1 1 A 24 24 THR N N 24 117.656 116.336 1.320 1
1 291 . 12 1 1 A 24 24 THR H H 24 7.112 8.637 -1.525 1
1 292 . 12 1 1 A 24 24 THR CA C 24 61.994 61.452 0.542 1
1 293 . 12 1 1 A 24 24 THR HA H 24 5.119 5.309 -0.190 1
1 294 . 12 1 1 A 24 24 THR CB C 24 71.220 72.164 -0.944 1
1 300 . 12 1 1 A 24 24 THR C C 24 174.309 173.693 0.616 1
1 301 . 12 1 1 A 25 25 MET N N 25 122.056 123.120 -1.064 1
1 302 . 12 1 1 A 25 25 MET H H 25 9.515 9.404 0.111 1
1 303 . 12 1 1 A 25 25 MET CA C 25 54.247 53.079 1.168 1
1 304 . 12 1 1 A 25 25 MET HA H 25 4.935 5.258 -0.323 1
1 305 . 12 1 1 A 25 25 MET CB C 25 36.287 37.204 -0.917 1
1 312 . 12 1 1 A 25 25 MET C C 25 173.777 174.067 -0.290 1
1 313 . 12 1 1 A 26 26 LYS N N 26 124.668 120.169 4.499 1
1 314 . 12 1 1 A 26 26 LYS H H 26 8.949 8.844 0.105 1
1 315 . 12 1 1 A 26 26 LYS CA C 26 53.476 54.348 -0.872 1
1 316 . 12 1 1 A 26 26 LYS HA H 26 4.896 5.360 -0.464 1
1 317 . 12 1 1 A 26 26 LYS CB C 26 34.097 36.201 -2.104 1
1 327 . 12 1 1 A 26 26 LYS C C 26 174.929 175.015 -0.086 1
1 328 . 12 1 1 A 27 27 LYS N N 27 122.567 123.546 -0.979 1
1 329 . 12 1 1 A 27 27 LYS H H 27 9.061 8.687 0.374 1
1 330 . 12 1 1 A 27 27 LYS CA C 27 58.539 58.696 -0.157 1
1 331 . 12 1 1 A 27 27 LYS HA H 27 4.656 3.760 0.896 1
1 332 . 12 1 1 A 27 27 LYS CB C 27 32.202 32.101 0.101 1
1 344 . 12 1 1 A 27 27 LYS C C 27 177.344 177.366 -0.022 1
1 345 . 12 1 1 A 28 28 GLY N N 28 115.884 112.505 3.379 1
1 346 . 12 1 1 A 28 28 GLY H H 28 8.900 9.009 -0.109 1
1 347 . 12 1 1 A 28 28 GLY CA C 28 44.779 45.392 -0.613 1
1 348 . 12 1 1 A 28 28 GLY HA2 H 28 3.523 3.925 -0.402 1
1 349 . 12 1 1 A 28 28 GLY HA3 H 28 4.469 3.926 0.543 1
1 350 . 12 1 1 A 28 28 GLY C C 28 174.021 173.424 0.597 1
1 351 . 12 1 1 A 29 29 ASP N N 29 122.466 120.684 1.782 1
1 352 . 12 1 1 A 29 29 ASP H H 29 8.513 7.968 0.545 1
1 353 . 12 1 1 A 29 29 ASP CA C 29 55.711 52.894 2.817 1
1 354 . 12 1 1 A 29 29 ASP HA H 29 4.523 5.030 -0.507 1
1 355 . 12 1 1 A 29 29 ASP CB C 29 41.361 43.050 -1.689 1
1 358 . 12 1 1 A 29 29 ASP C C 29 174.331 175.119 -0.788 1
1 359 . 12 1 1 A 30 30 ILE N N 30 120.470 125.227 -4.757 1
1 360 . 12 1 1 A 30 30 ILE H H 30 8.204 8.887 -0.683 1
1 361 . 12 1 1 A 30 30 ILE CA C 30 60.164 59.874 0.290 1
1 362 . 12 1 1 A 30 30 ILE HA H 30 5.025 5.166 -0.141 1
1 363 . 12 1 1 A 30 30 ILE CB C 30 38.257 40.758 -2.501 1
1 372 . 12 1 1 A 30 30 ILE C C 30 176.236 175.194 1.042 1
1 373 . 12 1 1 A 31 31 LEU N N 31 128.265 126.601 1.664 1
1 374 . 12 1 1 A 31 31 LEU H H 31 9.353 9.053 0.300 1
1 375 . 12 1 1 A 31 31 LEU CA C 31 53.601 53.228 0.373 1
1 376 . 12 1 1 A 31 31 LEU HA H 31 4.998 5.074 -0.076 1
1 377 . 12 1 1 A 31 31 LEU CB C 31 43.893 44.785 -0.892 1
1 388 . 12 1 1 A 31 31 LEU C C 31 175.638 176.355 -0.717 1
1 389 . 12 1 1 A 32 32 THR N N 32 117.089 119.545 -2.456 1
1 390 . 12 1 1 A 32 32 THR H H 32 8.141 8.707 -0.566 1
1 391 . 12 1 1 A 32 32 THR CA C 32 63.263 63.429 -0.166 1
1 392 . 12 1 1 A 32 32 THR HA H 32 4.619 4.532 0.087 1
1 393 . 12 1 1 A 32 32 THR CB C 32 69.867 69.027 0.840 1
1 399 . 12 1 1 A 32 32 THR C C 32 173.600 174.253 -0.653 1
1 400 . 12 1 1 A 33 33 LEU N N 33 129.212 128.786 0.426 1
1 401 . 12 1 1 A 33 33 LEU H H 33 9.070 8.568 0.502 1
1 402 . 12 1 1 A 33 33 LEU CA C 33 54.671 55.307 -0.636 1
1 403 . 12 1 1 A 33 33 LEU HA H 33 4.356 4.483 -0.127 1
1 404 . 12 1 1 A 33 33 LEU CB C 33 42.968 42.110 0.858 1
1 417 . 12 1 1 A 33 33 LEU C C 33 174.553 175.846 -1.293 1
1 418 . 12 1 1 A 34 34 LEU N N 34 125.880 128.565 -2.685 1
1 419 . 12 1 1 A 34 34 LEU H H 34 9.051 9.410 -0.359 1
1 420 . 12 1 1 A 34 34 LEU CA C 34 54.811 56.100 -1.289 1
1 421 . 12 1 1 A 34 34 LEU HA H 34 4.532 4.404 0.128 1
1 422 . 12 1 1 A 34 34 LEU CB C 34 42.977 42.559 0.418 1
1 434 . 12 1 1 A 34 34 LEU C C 34 177.477 176.758 0.719 1
1 435 . 12 1 1 A 35 35 ASN N N 35 113.971 115.341 -1.370 1
1 436 . 12 1 1 A 35 35 ASN H H 35 7.600 7.585 0.015 1
1 437 . 12 1 1 A 35 35 ASN CA C 35 54.543 52.538 2.005 1
1 438 . 12 1 1 A 35 35 ASN HA H 35 4.680 5.096 -0.416 1
1 439 . 12 1 1 A 35 35 ASN CB C 35 40.958 41.696 -0.738 1
1 443 . 12 1 1 A 35 35 ASN C C 35 174.375 174.024 0.351 1
1 444 . 12 1 1 A 36 36 SER N N 36 123.815 116.540 7.275 1
1 445 . 12 1 1 A 36 36 SER H H 36 9.194 8.483 0.711 1
1 446 . 12 1 1 A 36 36 SER CA C 36 56.692 56.535 0.157 1
1 447 . 12 1 1 A 36 36 SER HA H 36 3.921 4.860 -0.939 1
1 448 . 12 1 1 A 36 36 SER CB C 36 62.180 62.694 -0.514 1
1 451 . 12 1 1 A 36 36 SER C C 36 173.401 175.401 -2.000 1
1 452 . 12 1 1 A 37 37 THR N N 37 115.041 115.636 -0.595 1
1 453 . 12 1 1 A 37 37 THR H H 37 8.178 7.724 0.454 1
1 454 . 12 1 1 A 37 37 THR CA C 37 65.484 64.937 0.547 1
1 455 . 12 1 1 A 37 37 THR HA H 37 4.528 4.131 0.397 1
1 456 . 12 1 1 A 37 37 THR CB C 37 69.416 69.004 0.412 1
1 462 . 12 1 1 A 37 37 THR C C 37 175.261 175.069 0.192 1
1 463 . 12 1 1 A 38 38 ASN N N 38 122.494 119.427 3.067 1
1 464 . 12 1 1 A 38 38 ASN H H 38 8.674 7.982 0.692 1
1 465 . 12 1 1 A 38 38 ASN CA C 38 53.188 52.186 1.002 1
1 466 . 12 1 1 A 38 38 ASN HA H 38 4.863 4.979 -0.116 1
1 467 . 12 1 1 A 38 38 ASN CB C 38 40.525 40.978 -0.453 1
1 470 . 12 1 1 A 38 38 ASN C C 38 174.575 175.886 -1.311 1
1 471 . 12 1 1 A 39 39 LYS N N 39 120.915 121.655 -0.740 1
1 472 . 12 1 1 A 39 39 LYS H H 39 8.510 8.494 0.016 1
1 473 . 12 1 1 A 39 39 LYS CA C 39 58.333 56.931 1.402 1
1 474 . 12 1 1 A 39 39 LYS HA H 39 4.247 4.955 -0.708 1
1 475 . 12 1 1 A 39 39 LYS CB C 39 32.520 34.544 -2.024 1
1 485 . 12 1 1 A 39 39 LYS C C 39 176.236 177.835 -1.599 1
1 486 . 12 1 1 A 40 40 ASP N N 40 114.628 118.098 -3.470 1
1 487 . 12 1 1 A 40 40 ASP H H 40 8.173 7.675 0.498 1
1 488 . 12 1 1 A 40 40 ASP CA C 40 55.380 56.039 -0.659 1
1 489 . 12 1 1 A 40 40 ASP HA H 40 4.544 4.211 0.333 1
1 490 . 12 1 1 A 40 40 ASP CB C 40 43.415 41.984 1.431 1
1 493 . 12 1 1 A 40 40 ASP C C 40 176.967 175.372 1.595 1
1 494 . 12 1 1 A 41 41 TRP N N 41 122.703 114.997 7.706 1
1 495 . 12 1 1 A 41 41 TRP H H 41 8.209 7.145 1.064 1
1 496 . 12 1 1 A 41 41 TRP CA C 41 56.184 55.950 0.234 1
1 497 . 12 1 1 A 41 41 TRP HA H 41 5.075 5.385 -0.310 1
1 498 . 12 1 1 A 41 41 TRP CB C 41 32.019 33.208 -1.189 1
1 513 . 12 1 1 A 41 41 TRP C C 41 174.176 175.511 -1.335 1
1 514 . 12 1 1 A 42 42 TRP N N 42 124.895 123.342 1.553 1
1 515 . 12 1 1 A 42 42 TRP H H 42 9.366 9.131 0.235 1
1 516 . 12 1 1 A 42 42 TRP CA C 42 54.076 55.634 -1.558 1
1 517 . 12 1 1 A 42 42 TRP HA H 42 5.523 5.438 0.085 1
1 518 . 12 1 1 A 42 42 TRP CB C 42 31.447 32.401 -0.954 1
1 533 . 12 1 1 A 42 42 TRP C C 42 174.109 175.461 -1.352 1
1 534 . 12 1 1 A 43 43 LYS N N 43 124.120 124.555 -0.435 1
1 535 . 12 1 1 A 43 43 LYS H H 43 8.883 9.093 -0.210 1
1 536 . 12 1 1 A 43 43 LYS CA C 43 55.158 55.733 -0.575 1
1 537 . 12 1 1 A 43 43 LYS HA H 43 4.368 4.904 -0.536 1
1 538 . 12 1 1 A 43 43 LYS CB C 43 33.794 33.492 0.302 1
1 550 . 12 1 1 A 43 43 LYS C C 43 175.416 176.195 -0.779 1
1 551 . 12 1 1 A 44 44 VAL N N 44 122.055 120.165 1.890 1
1 552 . 12 1 1 A 44 44 VAL H H 44 9.427 9.139 0.288 1
1 553 . 12 1 1 A 44 44 VAL CA C 44 58.825 58.719 0.106 1
1 554 . 12 1 1 A 44 44 VAL HA H 44 5.375 5.198 0.177 1
1 555 . 12 1 1 A 44 44 VAL CB C 44 36.593 35.683 0.910 1
1 565 . 12 1 1 A 44 44 VAL C C 44 173.223 173.386 -0.163 1
1 566 . 12 1 1 A 45 45 GLU N N 45 118.673 122.591 -3.918 1
1 567 . 12 1 1 A 45 45 GLU H H 45 8.733 8.869 -0.136 1
1 568 . 12 1 1 A 45 45 GLU CA C 45 54.249 54.699 -0.450 1
1 569 . 12 1 1 A 45 45 GLU HA H 45 5.432 5.281 0.151 1
1 570 . 12 1 1 A 45 45 GLU CB C 45 33.286 32.769 0.517 1
1 576 . 12 1 1 A 45 45 GLU C C 45 174.774 176.031 -1.257 1
1 577 . 12 1 1 A 46 46 VAL N N 46 123.551 122.459 1.092 1
1 578 . 12 1 1 A 46 46 VAL H H 46 9.058 8.962 0.096 1
1 579 . 12 1 1 A 46 46 VAL CA C 46 59.627 60.052 -0.425 1
1 580 . 12 1 1 A 46 46 VAL HA H 46 4.669 4.888 -0.219 1
1 581 . 12 1 1 A 46 46 VAL CB C 46 35.290 33.960 1.330 1
1 590 . 12 1 1 A 46 46 VAL C C 46 173.534 174.988 -1.454 1
1 591 . 12 1 1 A 47 47 LYS N N 47 124.992 119.100 5.892 1
1 592 . 12 1 1 A 47 47 LYS H H 47 8.446 8.840 -0.394 1
1 593 . 12 1 1 A 47 47 LYS CA C 47 55.905 54.464 1.441 1
1 594 . 12 1 1 A 47 47 LYS HA H 47 4.763 4.954 -0.191 1
1 595 . 12 1 1 A 47 47 LYS CB C 47 33.450 35.843 -2.393 1
1 605 . 12 1 1 A 47 47 LYS C C 47 175.306 174.774 0.532 1
1 606 . 12 1 1 A 48 48 ALA N N 48 128.781 122.173 6.608 1
1 607 . 12 1 1 A 48 48 ALA H H 48 8.757 8.769 -0.012 1
1 608 . 12 1 1 A 48 48 ALA CA C 48 50.828 50.204 0.624 1
1 609 . 12 1 1 A 48 48 ALA HA H 48 4.616 5.056 -0.440 1
1 613 . 12 1 1 A 48 48 ALA CB C 48 21.741 23.700 -1.959 1
1 614 . 12 1 1 A 48 48 ALA C C 48 175.173 175.391 -0.218 1
1 615 . 12 1 1 A 49 49 THR N N 49 113.585 115.144 -1.559 1
1 616 . 12 1 1 A 49 49 THR H H 49 8.333 8.537 -0.204 1
1 617 . 12 1 1 A 49 49 THR CA C 49 60.826 61.526 -0.700 1
1 618 . 12 1 1 A 49 49 THR HA H 49 5.257 5.467 -0.210 1
1 619 . 12 1 1 A 49 49 THR CB C 49 71.045 71.154 -0.109 1
1 624 . 12 1 1 A 49 49 THR C C 49 174.176 173.423 0.753 1
1 625 . 12 1 1 A 50 50 ALA N N 50 127.142 127.691 -0.549 1
1 626 . 12 1 1 A 50 50 ALA H H 50 8.914 8.906 0.008 1
1 627 . 12 1 1 A 50 50 ALA CA C 50 52.345 50.714 1.631 1
1 628 . 12 1 1 A 50 50 ALA HA H 50 4.603 4.880 -0.277 1
1 632 . 12 1 1 A 50 50 ALA CB C 50 20.935 23.200 -2.265 1
1 633 . 12 1 1 A 50 50 ALA C C 50 177.299 176.019 1.280 1
1 634 . 12 1 1 A 51 51 ASN N N 51 121.555 121.025 0.530 1
1 635 . 12 1 1 A 51 51 ASN H H 51 9.491 9.341 0.150 1
1 636 . 12 1 1 A 51 51 ASN CA C 51 54.177 54.429 -0.252 1
1 637 . 12 1 1 A 51 51 ASN HA H 51 4.389 4.442 -0.053 1
1 638 . 12 1 1 A 51 51 ASN CB C 51 37.413 37.285 0.128 1
1 641 . 12 1 1 A 51 51 ASN C C 51 175.106 175.635 -0.529 1
1 642 . 12 1 1 A 52 52 GLY N N 52 103.942 104.393 -0.451 1
1 643 . 12 1 1 A 52 52 GLY H H 52 8.681 8.715 -0.034 1
1 644 . 12 1 1 A 52 52 GLY CA C 52 45.443 45.895 -0.452 1
1 645 . 12 1 1 A 52 52 GLY HA2 H 52 3.624 3.909 -0.285 1
1 646 . 12 1 1 A 52 52 GLY HA3 H 52 4.143 3.913 0.230 1
1 647 . 12 1 1 A 52 52 GLY C C 52 173.666 173.773 -0.107 1
1 648 . 12 1 1 A 53 53 LYS N N 53 121.213 119.703 1.510 1
1 649 . 12 1 1 A 53 53 LYS H H 53 7.893 7.978 -0.085 1
1 650 . 12 1 1 A 53 53 LYS CA C 53 54.807 54.216 0.591 1
1 651 . 12 1 1 A 53 53 LYS HA H 53 4.727 4.868 -0.141 1
1 652 . 12 1 1 A 53 53 LYS CB C 53 34.737 35.720 -0.983 1
1 664 . 12 1 1 A 53 53 LYS C C 53 175.239 175.580 -0.341 1
1 665 . 12 1 1 A 54 54 THR N N 54 118.501 115.128 3.373 1
1 666 . 12 1 1 A 54 54 THR H H 54 8.498 8.794 -0.296 1
1 667 . 12 1 1 A 54 54 THR CA C 54 61.925 61.084 0.841 1
1 668 . 12 1 1 A 54 54 THR HA H 54 5.117 5.351 -0.234 1
1 669 . 12 1 1 A 54 54 THR CB C 54 70.294 70.189 0.105 1
1 675 . 12 1 1 A 54 54 THR C C 54 173.733 173.825 -0.092 1
1 676 . 12 1 1 A 55 55 TYR N N 55 125.105 119.683 5.422 1
1 677 . 12 1 1 A 55 55 TYR H H 55 9.122 9.130 -0.008 1
1 678 . 12 1 1 A 55 55 TYR CA C 55 56.149 55.206 0.943 1
1 679 . 12 1 1 A 55 55 TYR HA H 55 4.857 5.602 -0.745 1
1 680 . 12 1 1 A 55 55 TYR CB C 55 40.090 42.247 -2.157 1
1 691 . 12 1 1 A 55 55 TYR C C 55 172.847 173.043 -0.196 1
1 692 . 12 1 1 A 56 56 GLU N N 56 119.744 120.606 -0.862 1
1 693 . 12 1 1 A 56 56 GLU H H 56 8.503 8.917 -0.414 1
1 694 . 12 1 1 A 56 56 GLU CA C 56 54.739 54.895 -0.156 1
1 695 . 12 1 1 A 56 56 GLU HA H 56 5.030 5.377 -0.347 1
1 696 . 12 1 1 A 56 56 GLU CB C 56 30.297 32.922 -2.625 1
1 701 . 12 1 1 A 56 56 GLU C C 56 175.394 175.894 -0.500 1
1 702 . 12 1 1 A 57 57 ARG N N 57 123.665 120.132 3.533 1
1 703 . 12 1 1 A 57 57 ARG H H 57 8.897 8.888 0.009 1
1 704 . 12 1 1 A 57 57 ARG CA C 57 54.944 54.359 0.585 1
1 705 . 12 1 1 A 57 57 ARG HA H 57 4.663 4.996 -0.333 1
1 706 . 12 1 1 A 57 57 ARG CB C 57 33.471 33.891 -0.420 1
1 713 . 12 1 1 A 57 57 ARG C C 57 174.198 174.425 -0.227 1
1 714 . 12 1 1 A 58 58 GLN N N 58 119.967 121.345 -1.378 1
1 715 . 12 1 1 A 58 58 GLN H H 58 8.604 8.517 0.087 1
1 716 . 12 1 1 A 58 58 GLN CA C 58 53.394 54.863 -1.469 1
1 717 . 12 1 1 A 58 58 GLN HA H 58 5.602 4.926 0.676 1
1 718 . 12 1 1 A 58 58 GLN CB C 58 31.229 30.208 1.021 1
1 724 . 12 1 1 A 58 58 GLN C C 58 175.771 175.893 -0.122 1
1 725 . 12 1 1 A 59 59 GLY N N 59 107.507 108.813 -1.306 1
1 726 . 12 1 1 A 59 59 GLY H H 59 8.652 8.784 -0.132 1
1 727 . 12 1 1 A 59 59 GLY CA C 59 45.583 45.669 -0.086 1
1 728 . 12 1 1 A 59 59 GLY HA2 H 59 3.947 4.187 -0.240 1
1 729 . 12 1 1 A 59 59 GLY HA3 H 59 3.947 4.323 -0.376 1
1 730 . 12 1 1 A 59 59 GLY C C 59 170.255 171.681 -1.426 1
1 731 . 12 1 1 A 60 60 PHE N N 60 119.079 119.215 -0.136 1
1 732 . 12 1 1 A 60 60 PHE H H 60 9.153 8.701 0.452 1
1 733 . 12 1 1 A 60 60 PHE CA C 60 58.544 56.598 1.946 1
1 734 . 12 1 1 A 60 60 PHE HA H 60 5.666 5.839 -0.173 1
1 735 . 12 1 1 A 60 60 PHE CB C 60 42.484 42.596 -0.112 1
1 748 . 12 1 1 A 60 60 PHE C C 60 175.461 175.294 0.167 1
1 749 . 12 1 1 A 61 61 VAL N N 61 110.995 116.631 -5.636 1
1 750 . 12 1 1 A 61 61 VAL H H 61 9.065 9.216 -0.151 1
1 751 . 12 1 1 A 61 61 VAL CA C 61 58.189 58.179 0.010 1
1 752 . 12 1 1 A 61 61 VAL HA H 61 4.823 4.939 -0.116 1
1 753 . 12 1 1 A 61 61 VAL CB C 61 33.521 34.483 -0.962 1
1 764 . 12 1 1 A 62 62 PRO CA C 62 61.852 61.879 -0.027 1
1 765 . 12 1 1 A 62 62 PRO HA H 62 3.556 3.676 -0.120 1
1 766 . 12 1 1 A 62 62 PRO CB C 62 29.777 30.778 -1.001 1
1 774 . 12 1 1 A 62 62 PRO C C 62 177.787 177.192 0.595 1
1 775 . 12 1 1 A 63 63 ALA N N 63 129.142 127.680 1.462 1
1 776 . 12 1 1 A 63 63 ALA H H 63 7.477 8.207 -0.730 1
1 777 . 12 1 1 A 63 63 ALA CA C 63 54.472 53.470 1.002 1
1 778 . 12 1 1 A 63 63 ALA HA H 63 2.652 2.956 -0.304 1
1 782 . 12 1 1 A 63 63 ALA CB C 63 15.666 17.115 -1.449 1
1 783 . 12 1 1 A 63 63 ALA C C 63 178.429 178.340 0.089 1
1 784 . 12 1 1 A 64 64 ALA N N 64 113.522 119.079 -5.557 1
1 785 . 12 1 1 A 64 64 ALA H H 64 7.867 7.070 0.797 1
1 786 . 12 1 1 A 64 64 ALA CA C 64 52.768 54.055 -1.287 1
1 787 . 12 1 1 A 64 64 ALA HA H 64 4.006 3.888 0.118 1
1 791 . 12 1 1 A 64 64 ALA CB C 64 17.629 17.844 -0.215 1
1 792 . 12 1 1 A 64 64 ALA C C 64 178.097 178.254 -0.157 1
1 793 . 12 1 1 A 65 65 TYR N N 65 116.109 116.252 -0.143 1
1 794 . 12 1 1 A 65 65 TYR H H 65 7.698 7.603 0.095 1
1 795 . 12 1 1 A 65 65 TYR CA C 65 56.328 58.839 -2.511 1
1 796 . 12 1 1 A 65 65 TYR HA H 65 4.758 4.871 -0.113 1
1 797 . 12 1 1 A 65 65 TYR CB C 65 37.765 40.392 -2.627 1
1 808 . 12 1 1 A 65 65 TYR C C 65 174.375 175.743 -1.368 1
1 809 . 12 1 1 A 66 66 VAL N N 66 111.053 114.822 -3.769 1
1 810 . 12 1 1 A 66 66 VAL H H 66 7.415 7.239 0.176 1
1 811 . 12 1 1 A 66 66 VAL CA C 66 58.119 59.420 -1.301 1
1 812 . 12 1 1 A 66 66 VAL HA H 66 5.538 5.189 0.349 1
1 813 . 12 1 1 A 66 66 VAL CB C 66 35.809 34.676 1.133 1
1 823 . 12 1 1 A 66 66 VAL C C 66 173.511 174.128 -0.617 1
1 824 . 12 1 1 A 67 67 LYS N N 67 118.588 123.665 -5.077 1
1 825 . 12 1 1 A 67 67 LYS H H 67 8.631 8.988 -0.357 1
1 826 . 12 1 1 A 67 67 LYS CA C 67 54.035 54.597 -0.562 1
1 827 . 12 1 1 A 67 67 LYS HA H 67 4.830 5.536 -0.706 1
1 828 . 12 1 1 A 67 67 LYS CB C 67 36.779 36.185 0.594 1
1 838 . 12 1 1 A 67 67 LYS C C 67 175.992 176.274 -0.282 1
1 839 . 12 1 1 A 68 68 LYS N N 68 125.838 122.629 3.209 1
1 840 . 12 1 1 A 68 68 LYS H H 68 9.227 8.356 0.871 1
1 841 . 12 1 1 A 68 68 LYS CA C 68 58.335 56.409 1.926 1
1 842 . 12 1 1 A 68 68 LYS HA H 68 4.494 4.127 0.367 1
1 843 . 12 1 1 A 68 68 LYS CB C 68 32.893 32.612 0.281 1
1 853 . 12 1 1 A 68 68 LYS C C 68 176.657 176.578 0.079 1
1 854 . 12 1 1 A 69 69 LEU N N 69 125.443 122.592 2.851 1
1 855 . 12 1 1 A 69 69 LEU H H 69 8.449 8.519 -0.070 1
1 856 . 12 1 1 A 69 69 LEU CA C 69 54.873 53.505 1.368 1
1 857 . 12 1 1 A 69 69 LEU HA H 69 4.437 4.787 -0.350 1
1 858 . 12 1 1 A 69 69 LEU CB C 69 42.345 42.642 -0.297 1
1 871 . 12 1 1 A 69 69 LEU C C 69 176.147 175.804 0.343 1
1 10 . 13 1 1 A 2 2 ASP N N 2 123.485 124.446 -0.961 1
1 11 . 13 1 1 A 2 2 ASP H H 2 8.809 8.761 0.048 1
1 12 . 13 1 1 A 2 2 ASP CA C 2 54.244 52.904 1.340 1
1 13 . 13 1 1 A 2 2 ASP HA H 2 4.673 4.702 -0.029 1
1 14 . 13 1 1 A 2 2 ASP CB C 2 40.452 38.864 1.588 1
1 17 . 13 1 1 A 2 2 ASP C C 2 175.771 174.905 0.866 1
1 18 . 13 1 1 A 3 3 GLU N N 3 121.725 123.722 -1.997 1
1 19 . 13 1 1 A 3 3 GLU H H 3 8.684 7.952 0.732 1
1 20 . 13 1 1 A 3 3 GLU CA C 3 56.162 56.255 -0.093 1
1 21 . 13 1 1 A 3 3 GLU HA H 3 4.392 4.473 -0.081 1
1 22 . 13 1 1 A 3 3 GLU CB C 3 29.170 31.374 -2.204 1
1 28 . 13 1 1 A 3 3 GLU C C 3 176.546 175.626 0.920 1
1 29 . 13 1 1 A 4 4 THR N N 4 114.384 115.145 -0.761 1
1 30 . 13 1 1 A 4 4 THR H H 4 8.303 8.528 -0.225 1
1 31 . 13 1 1 A 4 4 THR CA C 4 62.347 61.313 1.034 1
1 32 . 13 1 1 A 4 4 THR HA H 4 4.278 4.783 -0.505 1
1 33 . 13 1 1 A 4 4 THR CB C 4 69.672 71.208 -1.536 1
1 39 . 13 1 1 A 4 4 THR C C 4 175.306 172.677 2.629 1
1 40 . 13 1 1 A 5 5 GLY N N 5 111.296 113.332 -2.036 1
1 41 . 13 1 1 A 5 5 GLY H H 5 8.422 8.262 0.160 1
1 42 . 13 1 1 A 5 5 GLY CA C 5 45.302 45.538 -0.236 1
1 43 . 13 1 1 A 5 5 GLY HA2 H 5 3.928 3.972 -0.044 1
1 44 . 13 1 1 A 5 5 GLY HA3 H 5 3.928 3.973 -0.045 1
1 45 . 13 1 1 A 5 5 GLY C C 5 173.689 175.829 -2.140 1
1 46 . 13 1 1 A 6 6 LYS N N 6 119.850 119.569 0.281 1
1 47 . 13 1 1 A 6 6 LYS H H 6 8.008 8.304 -0.296 1
1 48 . 13 1 1 A 6 6 LYS CA C 6 55.401 58.120 -2.719 1
1 49 . 13 1 1 A 6 6 LYS HA H 6 4.381 4.228 0.153 1
1 50 . 13 1 1 A 6 6 LYS CB C 6 33.225 33.245 -0.020 1
1 62 . 13 1 1 A 6 6 LYS C C 6 175.948 176.663 -0.715 1
1 63 . 13 1 1 A 7 7 GLU N N 7 122.488 116.639 5.849 1
1 64 . 13 1 1 A 7 7 GLU H H 7 8.577 7.826 0.751 1
1 65 . 13 1 1 A 7 7 GLU CA C 7 55.690 55.689 0.001 1
1 66 . 13 1 1 A 7 7 GLU HA H 7 4.495 4.620 -0.125 1
1 67 . 13 1 1 A 7 7 GLU CB C 7 30.382 31.539 -1.157 1
1 73 . 13 1 1 A 7 7 GLU C C 7 174.109 174.692 -0.583 1
1 74 . 13 1 1 A 8 8 LEU N N 8 123.063 126.065 -3.002 1
1 75 . 13 1 1 A 8 8 LEU H H 8 8.485 8.896 -0.411 1
1 76 . 13 1 1 A 8 8 LEU CA C 8 53.331 53.524 -0.193 1
1 77 . 13 1 1 A 8 8 LEU HA H 8 5.381 5.094 0.287 1
1 78 . 13 1 1 A 8 8 LEU CB C 8 45.077 43.963 1.114 1
1 91 . 13 1 1 A 8 8 LEU C C 8 177.344 176.559 0.785 1
1 92 . 13 1 1 A 9 9 VAL N N 9 111.683 118.271 -6.588 1
1 93 . 13 1 1 A 9 9 VAL H H 9 9.111 9.461 -0.350 1
1 94 . 13 1 1 A 9 9 VAL CA C 9 57.854 59.054 -1.200 1
1 95 . 13 1 1 A 9 9 VAL HA H 9 5.214 4.962 0.252 1
1 96 . 13 1 1 A 9 9 VAL CB C 9 35.864 35.021 0.843 1
1 106 . 13 1 1 A 9 9 VAL C C 9 172.404 173.948 -1.544 1
1 107 . 13 1 1 A 10 10 LEU N N 10 123.366 126.071 -2.705 1
1 108 . 13 1 1 A 10 10 LEU H H 10 8.971 9.123 -0.152 1
1 109 . 13 1 1 A 10 10 LEU CA C 10 52.445 53.481 -1.036 1
1 110 . 13 1 1 A 10 10 LEU HA H 10 5.100 5.057 0.043 1
1 111 . 13 1 1 A 10 10 LEU CB C 10 46.711 44.716 1.995 1
1 124 . 13 1 1 A 10 10 LEU C C 10 176.568 175.336 1.232 1
1 125 . 13 1 1 A 11 11 ALA N N 11 127.241 128.633 -1.392 1
1 126 . 13 1 1 A 11 11 ALA H H 11 9.160 8.975 0.185 1
1 127 . 13 1 1 A 11 11 ALA CA C 11 52.416 51.190 1.226 1
1 128 . 13 1 1 A 11 11 ALA HA H 11 4.610 4.685 -0.075 1
1 132 . 13 1 1 A 11 11 ALA CB C 11 19.051 20.085 -1.034 1
1 133 . 13 1 1 A 11 11 ALA C C 11 178.252 176.915 1.337 1
1 134 . 13 1 1 A 12 12 LEU N N 12 127.842 125.007 2.835 1
1 135 . 13 1 1 A 12 12 LEU H H 12 9.257 9.407 -0.150 1
1 136 . 13 1 1 A 12 12 LEU CA C 12 55.585 56.160 -0.575 1
1 137 . 13 1 1 A 12 12 LEU HA H 12 3.884 4.201 -0.317 1
1 138 . 13 1 1 A 12 12 LEU CB C 12 43.192 42.674 0.518 1
1 151 . 13 1 1 A 12 12 LEU C C 12 174.951 176.572 -1.621 1
1 152 . 13 1 1 A 13 13 TYR N N 13 111.673 115.263 -3.590 1
1 153 . 13 1 1 A 13 13 TYR H H 13 7.129 7.968 -0.839 1
1 154 . 13 1 1 A 13 13 TYR CA C 13 54.530 56.076 -1.546 1
1 155 . 13 1 1 A 13 13 TYR HA H 13 4.617 5.127 -0.510 1
1 156 . 13 1 1 A 13 13 TYR CB C 13 42.982 41.158 1.824 1
1 167 . 13 1 1 A 13 13 TYR C C 13 173.600 175.660 -2.060 1
1 168 . 13 1 1 A 14 14 ASP N N 14 117.888 121.922 -4.034 1
1 169 . 13 1 1 A 14 14 ASP H H 14 8.328 8.646 -0.318 1
1 170 . 13 1 1 A 14 14 ASP CA C 14 54.527 54.024 0.503 1
1 171 . 13 1 1 A 14 14 ASP HA H 14 4.615 4.591 0.024 1
1 172 . 13 1 1 A 14 14 ASP CB C 14 41.351 41.498 -0.147 1
1 175 . 13 1 1 A 14 14 ASP C C 14 176.125 175.401 0.724 1
1 176 . 13 1 1 A 15 15 TYR N N 15 120.102 122.075 -1.973 1
1 177 . 13 1 1 A 15 15 TYR H H 15 8.733 8.924 -0.191 1
1 178 . 13 1 1 A 15 15 TYR CA C 15 59.669 57.031 2.638 1
1 179 . 13 1 1 A 15 15 TYR HA H 15 4.662 5.192 -0.530 1
1 180 . 13 1 1 A 15 15 TYR CB C 15 43.400 41.968 1.432 1
1 191 . 13 1 1 A 15 15 TYR C C 15 172.803 173.851 -1.048 1
1 192 . 13 1 1 A 16 16 GLN N N 16 126.945 121.735 5.210 1
1 193 . 13 1 1 A 16 16 GLN H H 16 7.546 7.927 -0.381 1
1 194 . 13 1 1 A 16 16 GLN CA C 16 53.820 54.940 -1.120 1
1 195 . 13 1 1 A 16 16 GLN HA H 16 4.500 4.912 -0.412 1
1 196 . 13 1 1 A 16 16 GLN CB C 16 29.378 29.478 -0.100 1
1 202 . 13 1 1 A 16 16 GLN C C 16 173.910 174.700 -0.790 1
1 203 . 13 1 1 A 17 17 GLU N N 17 123.035 125.600 -2.565 1
1 204 . 13 1 1 A 17 17 GLU H H 17 7.930 8.936 -1.006 1
1 205 . 13 1 1 A 17 17 GLU CA C 17 56.078 56.866 -0.788 1
1 206 . 13 1 1 A 17 17 GLU HA H 17 4.211 4.252 -0.041 1
1 207 . 13 1 1 A 17 17 GLU CB C 17 29.520 30.158 -0.638 1
1 213 . 13 1 1 A 17 17 GLU C C 17 175.926 176.944 -1.018 1
1 214 . 13 1 1 A 18 18 LYS N N 18 120.770 119.621 1.149 1
1 215 . 13 1 1 A 18 18 LYS H H 18 8.801 8.826 -0.025 1
1 216 . 13 1 1 A 18 18 LYS CA C 18 55.164 56.222 -1.058 1
1 217 . 13 1 1 A 18 18 LYS HA H 18 4.424 4.628 -0.204 1
1 218 . 13 1 1 A 18 18 LYS CB C 18 33.328 34.122 -0.794 1
1 230 . 13 1 1 A 18 18 LYS C C 18 176.192 175.622 0.570 1
1 231 . 13 1 1 A 19 19 SER N N 19 114.841 112.224 2.617 1
1 232 . 13 1 1 A 19 19 SER H H 19 7.619 7.526 0.093 1
1 233 . 13 1 1 A 19 19 SER CA C 19 56.678 55.292 1.386 1
1 234 . 13 1 1 A 19 19 SER HA H 19 4.863 5.050 -0.187 1
1 235 . 13 1 1 A 19 19 SER CB C 19 64.060 65.707 -1.647 1
1 239 . 13 1 1 A 20 20 PRO CA C 20 64.803 64.506 0.297 1
1 240 . 13 1 1 A 20 20 PRO HA H 20 4.549 4.517 0.032 1
1 241 . 13 1 1 A 20 20 PRO CB C 20 31.894 31.909 -0.015 1
1 249 . 13 1 1 A 20 20 PRO C C 20 176.679 177.379 -0.700 1
1 250 . 13 1 1 A 21 21 ARG N N 21 113.864 116.135 -2.271 1
1 251 . 13 1 1 A 21 21 ARG H H 21 7.687 8.420 -0.733 1
1 252 . 13 1 1 A 21 21 ARG CA C 21 56.119 56.254 -0.135 1
1 253 . 13 1 1 A 21 21 ARG HA H 21 4.598 4.366 0.232 1
1 254 . 13 1 1 A 21 21 ARG CB C 21 30.299 30.153 0.146 1
1 263 . 13 1 1 A 21 21 ARG C C 21 176.369 175.144 1.225 1
1 264 . 13 1 1 A 22 22 GLU N N 22 121.539 120.738 0.801 1
1 265 . 13 1 1 A 22 22 GLU H H 22 7.842 7.397 0.445 1
1 266 . 13 1 1 A 22 22 GLU CA C 22 54.951 54.994 -0.043 1
1 267 . 13 1 1 A 22 22 GLU HA H 22 5.484 4.839 0.645 1
1 268 . 13 1 1 A 22 22 GLU CB C 22 33.535 33.322 0.213 1
1 274 . 13 1 1 A 22 22 GLU C C 22 174.375 174.466 -0.091 1
1 275 . 13 1 1 A 23 23 VAL N N 23 111.923 117.901 -5.978 1
1 276 . 13 1 1 A 23 23 VAL H H 23 7.373 8.899 -1.526 1
1 277 . 13 1 1 A 23 23 VAL CA C 23 59.570 59.227 0.343 1
1 278 . 13 1 1 A 23 23 VAL HA H 23 4.531 5.068 -0.537 1
1 279 . 13 1 1 A 23 23 VAL CB C 23 34.667 36.393 -1.726 1
1 289 . 13 1 1 A 23 23 VAL C C 23 172.625 173.909 -1.284 1
1 290 . 13 1 1 A 24 24 THR N N 24 117.656 115.791 1.865 1
1 291 . 13 1 1 A 24 24 THR H H 24 7.112 8.925 -1.813 1
1 292 . 13 1 1 A 24 24 THR CA C 24 61.994 60.002 1.992 1
1 293 . 13 1 1 A 24 24 THR HA H 24 5.119 5.336 -0.217 1
1 294 . 13 1 1 A 24 24 THR CB C 24 71.220 72.365 -1.145 1
1 300 . 13 1 1 A 24 24 THR C C 24 174.309 171.934 2.375 1
1 301 . 13 1 1 A 25 25 MET N N 25 122.056 123.928 -1.872 1
1 302 . 13 1 1 A 25 25 MET H H 25 9.515 9.096 0.419 1
1 303 . 13 1 1 A 25 25 MET CA C 25 54.247 54.413 -0.166 1
1 304 . 13 1 1 A 25 25 MET HA H 25 4.935 5.186 -0.251 1
1 305 . 13 1 1 A 25 25 MET CB C 25 36.287 37.805 -1.518 1
1 312 . 13 1 1 A 25 25 MET C C 25 173.777 174.832 -1.055 1
1 313 . 13 1 1 A 26 26 LYS N N 26 124.668 118.716 5.952 1
1 314 . 13 1 1 A 26 26 LYS H H 26 8.949 8.722 0.227 1
1 315 . 13 1 1 A 26 26 LYS CA C 26 53.476 54.269 -0.793 1
1 316 . 13 1 1 A 26 26 LYS HA H 26 4.896 4.924 -0.028 1
1 317 . 13 1 1 A 26 26 LYS CB C 26 34.097 35.581 -1.484 1
1 327 . 13 1 1 A 26 26 LYS C C 26 174.929 176.293 -1.364 1
1 328 . 13 1 1 A 27 27 LYS N N 27 122.567 122.355 0.212 1
1 329 . 13 1 1 A 27 27 LYS H H 27 9.061 8.411 0.650 1
1 330 . 13 1 1 A 27 27 LYS CA C 27 58.539 57.111 1.428 1
1 331 . 13 1 1 A 27 27 LYS HA H 27 4.656 4.060 0.596 1
1 332 . 13 1 1 A 27 27 LYS CB C 27 32.202 31.956 0.246 1
1 344 . 13 1 1 A 27 27 LYS C C 27 177.344 176.947 0.397 1
1 345 . 13 1 1 A 28 28 GLY N N 28 115.884 112.912 2.972 1
1 346 . 13 1 1 A 28 28 GLY H H 28 8.900 9.192 -0.292 1
1 347 . 13 1 1 A 28 28 GLY CA C 28 44.779 45.494 -0.715 1
1 348 . 13 1 1 A 28 28 GLY HA2 H 28 3.523 3.924 -0.401 1
1 349 . 13 1 1 A 28 28 GLY HA3 H 28 4.469 3.926 0.543 1
1 350 . 13 1 1 A 28 28 GLY C C 28 174.021 173.517 0.504 1
1 351 . 13 1 1 A 29 29 ASP N N 29 122.466 120.634 1.832 1
1 352 . 13 1 1 A 29 29 ASP H H 29 8.513 8.012 0.501 1
1 353 . 13 1 1 A 29 29 ASP CA C 29 55.711 53.081 2.630 1
1 354 . 13 1 1 A 29 29 ASP HA H 29 4.523 5.024 -0.501 1
1 355 . 13 1 1 A 29 29 ASP CB C 29 41.361 43.071 -1.710 1
1 358 . 13 1 1 A 29 29 ASP C C 29 174.331 175.219 -0.888 1
1 359 . 13 1 1 A 30 30 ILE N N 30 120.470 122.969 -2.499 1
1 360 . 13 1 1 A 30 30 ILE H H 30 8.204 8.625 -0.421 1
1 361 . 13 1 1 A 30 30 ILE CA C 30 60.164 59.934 0.230 1
1 362 . 13 1 1 A 30 30 ILE HA H 30 5.025 5.357 -0.332 1
1 363 . 13 1 1 A 30 30 ILE CB C 30 38.257 40.870 -2.613 1
1 372 . 13 1 1 A 30 30 ILE C C 30 176.236 174.773 1.463 1
1 373 . 13 1 1 A 31 31 LEU N N 31 128.265 127.302 0.963 1
1 374 . 13 1 1 A 31 31 LEU H H 31 9.353 8.886 0.467 1
1 375 . 13 1 1 A 31 31 LEU CA C 31 53.601 53.843 -0.242 1
1 376 . 13 1 1 A 31 31 LEU HA H 31 4.998 5.157 -0.159 1
1 377 . 13 1 1 A 31 31 LEU CB C 31 43.893 45.097 -1.204 1
1 388 . 13 1 1 A 31 31 LEU C C 31 175.638 175.802 -0.164 1
1 389 . 13 1 1 A 32 32 THR N N 32 117.089 119.473 -2.384 1
1 390 . 13 1 1 A 32 32 THR H H 32 8.141 8.771 -0.630 1
1 391 . 13 1 1 A 32 32 THR CA C 32 63.263 62.565 0.698 1
1 392 . 13 1 1 A 32 32 THR HA H 32 4.619 4.543 0.076 1
1 393 . 13 1 1 A 32 32 THR CB C 32 69.867 69.494 0.373 1
1 399 . 13 1 1 A 32 32 THR C C 32 173.600 174.157 -0.557 1
1 400 . 13 1 1 A 33 33 LEU N N 33 129.212 128.736 0.476 1
1 401 . 13 1 1 A 33 33 LEU H H 33 9.070 8.806 0.264 1
1 402 . 13 1 1 A 33 33 LEU CA C 33 54.671 55.905 -1.234 1
1 403 . 13 1 1 A 33 33 LEU HA H 33 4.356 4.362 -0.006 1
1 404 . 13 1 1 A 33 33 LEU CB C 33 42.968 42.408 0.560 1
1 417 . 13 1 1 A 33 33 LEU C C 33 174.553 176.000 -1.447 1
1 418 . 13 1 1 A 34 34 LEU N N 34 125.880 127.126 -1.246 1
1 419 . 13 1 1 A 34 34 LEU H H 34 9.051 9.246 -0.195 1
1 420 . 13 1 1 A 34 34 LEU CA C 34 54.811 55.759 -0.948 1
1 421 . 13 1 1 A 34 34 LEU HA H 34 4.532 4.560 -0.028 1
1 422 . 13 1 1 A 34 34 LEU CB C 34 42.977 43.876 -0.899 1
1 434 . 13 1 1 A 34 34 LEU C C 34 177.477 176.838 0.639 1
1 435 . 13 1 1 A 35 35 ASN N N 35 113.971 116.648 -2.677 1
1 436 . 13 1 1 A 35 35 ASN H H 35 7.600 7.774 -0.174 1
1 437 . 13 1 1 A 35 35 ASN CA C 35 54.543 52.998 1.545 1
1 438 . 13 1 1 A 35 35 ASN HA H 35 4.680 5.105 -0.425 1
1 439 . 13 1 1 A 35 35 ASN CB C 35 40.958 42.028 -1.070 1
1 443 . 13 1 1 A 35 35 ASN C C 35 174.375 173.886 0.489 1
1 444 . 13 1 1 A 36 36 SER N N 36 123.815 119.227 4.588 1
1 445 . 13 1 1 A 36 36 SER H H 36 9.194 8.498 0.696 1
1 446 . 13 1 1 A 36 36 SER CA C 36 56.692 56.941 -0.249 1
1 447 . 13 1 1 A 36 36 SER HA H 36 3.921 4.883 -0.962 1
1 448 . 13 1 1 A 36 36 SER CB C 36 62.180 63.025 -0.845 1
1 451 . 13 1 1 A 36 36 SER C C 36 173.401 175.370 -1.969 1
1 452 . 13 1 1 A 37 37 THR N N 37 115.041 115.756 -0.715 1
1 453 . 13 1 1 A 37 37 THR H H 37 8.178 7.913 0.265 1
1 454 . 13 1 1 A 37 37 THR CA C 37 65.484 64.719 0.765 1
1 455 . 13 1 1 A 37 37 THR HA H 37 4.528 4.104 0.424 1
1 456 . 13 1 1 A 37 37 THR CB C 37 69.416 69.007 0.409 1
1 462 . 13 1 1 A 37 37 THR C C 37 175.261 174.012 1.249 1
1 463 . 13 1 1 A 38 38 ASN N N 38 122.494 119.222 3.272 1
1 464 . 13 1 1 A 38 38 ASN H H 38 8.674 8.157 0.517 1
1 465 . 13 1 1 A 38 38 ASN CA C 38 53.188 51.430 1.758 1
1 466 . 13 1 1 A 38 38 ASN HA H 38 4.863 5.179 -0.316 1
1 467 . 13 1 1 A 38 38 ASN CB C 38 40.525 41.277 -0.752 1
1 470 . 13 1 1 A 38 38 ASN C C 38 174.575 175.496 -0.921 1
1 471 . 13 1 1 A 39 39 LYS N N 39 120.915 121.880 -0.965 1
1 472 . 13 1 1 A 39 39 LYS H H 39 8.510 8.463 0.047 1
1 473 . 13 1 1 A 39 39 LYS CA C 39 58.333 56.981 1.352 1
1 474 . 13 1 1 A 39 39 LYS HA H 39 4.247 4.948 -0.701 1
1 475 . 13 1 1 A 39 39 LYS CB C 39 32.520 34.468 -1.948 1
1 485 . 13 1 1 A 39 39 LYS C C 39 176.236 177.888 -1.652 1
1 486 . 13 1 1 A 40 40 ASP N N 40 114.628 118.108 -3.480 1
1 487 . 13 1 1 A 40 40 ASP H H 40 8.173 7.856 0.317 1
1 488 . 13 1 1 A 40 40 ASP CA C 40 55.380 56.061 -0.681 1
1 489 . 13 1 1 A 40 40 ASP HA H 40 4.544 4.278 0.266 1
1 490 . 13 1 1 A 40 40 ASP CB C 40 43.415 42.087 1.328 1
1 493 . 13 1 1 A 40 40 ASP C C 40 176.967 175.969 0.998 1
1 494 . 13 1 1 A 41 41 TRP N N 41 122.703 115.717 6.986 1
1 495 . 13 1 1 A 41 41 TRP H H 41 8.209 7.214 0.995 1
1 496 . 13 1 1 A 41 41 TRP CA C 41 56.184 56.015 0.169 1
1 497 . 13 1 1 A 41 41 TRP HA H 41 5.075 5.349 -0.274 1
1 498 . 13 1 1 A 41 41 TRP CB C 41 32.019 33.656 -1.637 1
1 513 . 13 1 1 A 41 41 TRP C C 41 174.176 175.194 -1.018 1
1 514 . 13 1 1 A 42 42 TRP N N 42 124.895 123.449 1.446 1
1 515 . 13 1 1 A 42 42 TRP H H 42 9.366 9.120 0.246 1
1 516 . 13 1 1 A 42 42 TRP CA C 42 54.076 55.705 -1.629 1
1 517 . 13 1 1 A 42 42 TRP HA H 42 5.523 5.343 0.180 1
1 518 . 13 1 1 A 42 42 TRP CB C 42 31.447 32.272 -0.825 1
1 533 . 13 1 1 A 42 42 TRP C C 42 174.109 175.577 -1.468 1
1 534 . 13 1 1 A 43 43 LYS N N 43 124.120 124.665 -0.545 1
1 535 . 13 1 1 A 43 43 LYS H H 43 8.883 8.956 -0.073 1
1 536 . 13 1 1 A 43 43 LYS CA C 43 55.158 55.973 -0.815 1
1 537 . 13 1 1 A 43 43 LYS HA H 43 4.368 4.974 -0.606 1
1 538 . 13 1 1 A 43 43 LYS CB C 43 33.794 33.337 0.457 1
1 550 . 13 1 1 A 43 43 LYS C C 43 175.416 176.177 -0.761 1
1 551 . 13 1 1 A 44 44 VAL N N 44 122.055 121.052 1.003 1
1 552 . 13 1 1 A 44 44 VAL H H 44 9.427 9.025 0.402 1
1 553 . 13 1 1 A 44 44 VAL CA C 44 58.825 58.966 -0.141 1
1 554 . 13 1 1 A 44 44 VAL HA H 44 5.375 5.309 0.066 1
1 555 . 13 1 1 A 44 44 VAL CB C 44 36.593 35.164 1.429 1
1 565 . 13 1 1 A 44 44 VAL C C 44 173.223 173.592 -0.369 1
1 566 . 13 1 1 A 45 45 GLU N N 45 118.673 122.550 -3.877 1
1 567 . 13 1 1 A 45 45 GLU H H 45 8.733 9.006 -0.273 1
1 568 . 13 1 1 A 45 45 GLU CA C 45 54.249 54.895 -0.646 1
1 569 . 13 1 1 A 45 45 GLU HA H 45 5.432 4.990 0.442 1
1 570 . 13 1 1 A 45 45 GLU CB C 45 33.286 31.279 2.007 1
1 576 . 13 1 1 A 45 45 GLU C C 45 174.774 175.641 -0.867 1
1 577 . 13 1 1 A 46 46 VAL N N 46 123.551 121.982 1.569 1
1 578 . 13 1 1 A 46 46 VAL H H 46 9.058 9.143 -0.085 1
1 579 . 13 1 1 A 46 46 VAL CA C 46 59.627 59.414 0.213 1
1 580 . 13 1 1 A 46 46 VAL HA H 46 4.669 5.117 -0.448 1
1 581 . 13 1 1 A 46 46 VAL CB C 46 35.290 34.562 0.728 1
1 590 . 13 1 1 A 46 46 VAL C C 46 173.534 175.495 -1.961 1
1 591 . 13 1 1 A 47 47 LYS N N 47 124.992 121.398 3.594 1
1 592 . 13 1 1 A 47 47 LYS H H 47 8.446 8.414 0.032 1
1 593 . 13 1 1 A 47 47 LYS CA C 47 55.905 54.927 0.978 1
1 594 . 13 1 1 A 47 47 LYS HA H 47 4.763 5.030 -0.267 1
1 595 . 13 1 1 A 47 47 LYS CB C 47 33.450 34.519 -1.069 1
1 605 . 13 1 1 A 47 47 LYS C C 47 175.306 175.745 -0.439 1
1 606 . 13 1 1 A 48 48 ALA N N 48 128.781 123.665 5.116 1
1 607 . 13 1 1 A 48 48 ALA H H 48 8.757 8.817 -0.060 1
1 608 . 13 1 1 A 48 48 ALA CA C 48 50.828 49.983 0.845 1
1 609 . 13 1 1 A 48 48 ALA HA H 48 4.616 5.069 -0.453 1
1 613 . 13 1 1 A 48 48 ALA CB C 48 21.741 23.548 -1.807 1
1 614 . 13 1 1 A 48 48 ALA C C 48 175.173 175.247 -0.074 1
1 615 . 13 1 1 A 49 49 THR N N 49 113.585 114.903 -1.318 1
1 616 . 13 1 1 A 49 49 THR H H 49 8.333 8.452 -0.119 1
1 617 . 13 1 1 A 49 49 THR CA C 49 60.826 61.176 -0.350 1
1 618 . 13 1 1 A 49 49 THR HA H 49 5.257 5.303 -0.046 1
1 619 . 13 1 1 A 49 49 THR CB C 49 71.045 71.064 -0.019 1
1 624 . 13 1 1 A 49 49 THR C C 49 174.176 173.427 0.749 1
1 625 . 13 1 1 A 50 50 ALA N N 50 127.142 127.616 -0.474 1
1 626 . 13 1 1 A 50 50 ALA H H 50 8.914 8.807 0.107 1
1 627 . 13 1 1 A 50 50 ALA CA C 50 52.345 50.916 1.429 1
1 628 . 13 1 1 A 50 50 ALA HA H 50 4.603 4.803 -0.200 1
1 632 . 13 1 1 A 50 50 ALA CB C 50 20.935 23.019 -2.084 1
1 633 . 13 1 1 A 50 50 ALA C C 50 177.299 176.012 1.287 1
1 634 . 13 1 1 A 51 51 ASN N N 51 121.555 121.090 0.465 1
1 635 . 13 1 1 A 51 51 ASN H H 51 9.491 9.289 0.202 1
1 636 . 13 1 1 A 51 51 ASN CA C 51 54.177 54.454 -0.277 1
1 637 . 13 1 1 A 51 51 ASN HA H 51 4.389 4.445 -0.056 1
1 638 . 13 1 1 A 51 51 ASN CB C 51 37.413 37.300 0.113 1
1 641 . 13 1 1 A 51 51 ASN C C 51 175.106 175.614 -0.508 1
1 642 . 13 1 1 A 52 52 GLY N N 52 103.942 104.173 -0.231 1
1 643 . 13 1 1 A 52 52 GLY H H 52 8.681 8.696 -0.015 1
1 644 . 13 1 1 A 52 52 GLY CA C 52 45.443 45.868 -0.425 1
1 645 . 13 1 1 A 52 52 GLY HA2 H 52 3.624 3.880 -0.256 1
1 646 . 13 1 1 A 52 52 GLY HA3 H 52 4.143 3.884 0.259 1
1 647 . 13 1 1 A 52 52 GLY C C 52 173.666 173.818 -0.152 1
1 648 . 13 1 1 A 53 53 LYS N N 53 121.213 120.179 1.034 1
1 649 . 13 1 1 A 53 53 LYS H H 53 7.893 8.108 -0.215 1
1 650 . 13 1 1 A 53 53 LYS CA C 53 54.807 54.148 0.659 1
1 651 . 13 1 1 A 53 53 LYS HA H 53 4.727 4.886 -0.159 1
1 652 . 13 1 1 A 53 53 LYS CB C 53 34.737 35.897 -1.160 1
1 664 . 13 1 1 A 53 53 LYS C C 53 175.239 175.132 0.107 1
1 665 . 13 1 1 A 54 54 THR N N 54 118.501 112.960 5.541 1
1 666 . 13 1 1 A 54 54 THR H H 54 8.498 8.825 -0.327 1
1 667 . 13 1 1 A 54 54 THR CA C 54 61.925 59.987 1.938 1
1 668 . 13 1 1 A 54 54 THR HA H 54 5.117 5.508 -0.391 1
1 669 . 13 1 1 A 54 54 THR CB C 54 70.294 70.928 -0.634 1
1 675 . 13 1 1 A 54 54 THR C C 54 173.733 173.729 0.004 1
1 676 . 13 1 1 A 55 55 TYR N N 55 125.105 118.597 6.508 1
1 677 . 13 1 1 A 55 55 TYR H H 55 9.122 8.731 0.391 1
1 678 . 13 1 1 A 55 55 TYR CA C 55 56.149 55.889 0.260 1
1 679 . 13 1 1 A 55 55 TYR HA H 55 4.857 5.204 -0.347 1
1 680 . 13 1 1 A 55 55 TYR CB C 55 40.090 40.669 -0.579 1
1 691 . 13 1 1 A 55 55 TYR C C 55 172.847 172.393 0.454 1
1 692 . 13 1 1 A 56 56 GLU N N 56 119.744 119.475 0.269 1
1 693 . 13 1 1 A 56 56 GLU H H 56 8.503 8.815 -0.312 1
1 694 . 13 1 1 A 56 56 GLU CA C 56 54.739 55.094 -0.355 1
1 695 . 13 1 1 A 56 56 GLU HA H 56 5.030 5.338 -0.308 1
1 696 . 13 1 1 A 56 56 GLU CB C 56 30.297 32.989 -2.692 1
1 701 . 13 1 1 A 56 56 GLU C C 56 175.394 176.099 -0.705 1
1 702 . 13 1 1 A 57 57 ARG N N 57 123.665 120.791 2.874 1
1 703 . 13 1 1 A 57 57 ARG H H 57 8.897 9.439 -0.542 1
1 704 . 13 1 1 A 57 57 ARG CA C 57 54.944 54.354 0.590 1
1 705 . 13 1 1 A 57 57 ARG HA H 57 4.663 5.104 -0.441 1
1 706 . 13 1 1 A 57 57 ARG CB C 57 33.471 33.938 -0.467 1
1 713 . 13 1 1 A 57 57 ARG C C 57 174.198 174.318 -0.120 1
1 714 . 13 1 1 A 58 58 GLN N N 58 119.967 121.215 -1.248 1
1 715 . 13 1 1 A 58 58 GLN H H 58 8.604 8.604 0.000 1
1 716 . 13 1 1 A 58 58 GLN CA C 58 53.394 54.650 -1.256 1
1 717 . 13 1 1 A 58 58 GLN HA H 58 5.602 5.190 0.412 1
1 718 . 13 1 1 A 58 58 GLN CB C 58 31.229 30.623 0.606 1
1 724 . 13 1 1 A 58 58 GLN C C 58 175.771 175.772 -0.001 1
1 725 . 13 1 1 A 59 59 GLY N N 59 107.507 108.984 -1.477 1
1 726 . 13 1 1 A 59 59 GLY H H 59 8.652 8.907 -0.255 1
1 727 . 13 1 1 A 59 59 GLY CA C 59 45.583 45.157 0.426 1
1 728 . 13 1 1 A 59 59 GLY HA2 H 59 3.947 4.242 -0.295 1
1 729 . 13 1 1 A 59 59 GLY HA3 H 59 3.947 4.368 -0.421 1
1 730 . 13 1 1 A 59 59 GLY C C 59 170.255 171.819 -1.564 1
1 731 . 13 1 1 A 60 60 PHE N N 60 119.079 119.183 -0.104 1
1 732 . 13 1 1 A 60 60 PHE H H 60 9.153 8.631 0.522 1
1 733 . 13 1 1 A 60 60 PHE CA C 60 58.544 56.947 1.597 1
1 734 . 13 1 1 A 60 60 PHE HA H 60 5.666 5.490 0.176 1
1 735 . 13 1 1 A 60 60 PHE CB C 60 42.484 42.139 0.345 1
1 748 . 13 1 1 A 60 60 PHE C C 60 175.461 175.558 -0.097 1
1 749 . 13 1 1 A 61 61 VAL N N 61 110.995 116.877 -5.882 1
1 750 . 13 1 1 A 61 61 VAL H H 61 9.065 9.030 0.035 1
1 751 . 13 1 1 A 61 61 VAL CA C 61 58.189 58.163 0.026 1
1 752 . 13 1 1 A 61 61 VAL HA H 61 4.823 4.981 -0.158 1
1 753 . 13 1 1 A 61 61 VAL CB C 61 33.521 34.495 -0.974 1
1 764 . 13 1 1 A 62 62 PRO CA C 62 61.852 61.757 0.095 1
1 765 . 13 1 1 A 62 62 PRO HA H 62 3.556 3.493 0.063 1
1 766 . 13 1 1 A 62 62 PRO CB C 62 29.777 30.594 -0.817 1
1 774 . 13 1 1 A 62 62 PRO C C 62 177.787 177.258 0.529 1
1 775 . 13 1 1 A 63 63 ALA N N 63 129.142 127.618 1.524 1
1 776 . 13 1 1 A 63 63 ALA H H 63 7.477 7.936 -0.459 1
1 777 . 13 1 1 A 63 63 ALA CA C 63 54.472 53.458 1.014 1
1 778 . 13 1 1 A 63 63 ALA HA H 63 2.652 3.018 -0.366 1
1 782 . 13 1 1 A 63 63 ALA CB C 63 15.666 17.007 -1.341 1
1 783 . 13 1 1 A 63 63 ALA C C 63 178.429 178.384 0.045 1
1 784 . 13 1 1 A 64 64 ALA N N 64 113.522 119.160 -5.638 1
1 785 . 13 1 1 A 64 64 ALA H H 64 7.867 7.062 0.805 1
1 786 . 13 1 1 A 64 64 ALA CA C 64 52.768 54.072 -1.304 1
1 787 . 13 1 1 A 64 64 ALA HA H 64 4.006 3.889 0.117 1
1 791 . 13 1 1 A 64 64 ALA CB C 64 17.629 17.838 -0.209 1
1 792 . 13 1 1 A 64 64 ALA C C 64 178.097 178.073 0.024 1
1 793 . 13 1 1 A 65 65 TYR N N 65 116.109 116.309 -0.200 1
1 794 . 13 1 1 A 65 65 TYR H H 65 7.698 7.450 0.248 1
1 795 . 13 1 1 A 65 65 TYR CA C 65 56.328 59.037 -2.709 1
1 796 . 13 1 1 A 65 65 TYR HA H 65 4.758 4.702 0.056 1
1 797 . 13 1 1 A 65 65 TYR CB C 65 37.765 39.999 -2.234 1
1 808 . 13 1 1 A 65 65 TYR C C 65 174.375 175.811 -1.436 1
1 809 . 13 1 1 A 66 66 VAL N N 66 111.053 114.570 -3.517 1
1 810 . 13 1 1 A 66 66 VAL H H 66 7.415 7.028 0.387 1
1 811 . 13 1 1 A 66 66 VAL CA C 66 58.119 59.430 -1.311 1
1 812 . 13 1 1 A 66 66 VAL HA H 66 5.538 5.184 0.354 1
1 813 . 13 1 1 A 66 66 VAL CB C 66 35.809 34.653 1.156 1
1 823 . 13 1 1 A 66 66 VAL C C 66 173.511 174.043 -0.532 1
1 824 . 13 1 1 A 67 67 LYS N N 67 118.588 123.029 -4.441 1
1 825 . 13 1 1 A 67 67 LYS H H 67 8.631 8.990 -0.359 1
1 826 . 13 1 1 A 67 67 LYS CA C 67 54.035 54.646 -0.611 1
1 827 . 13 1 1 A 67 67 LYS HA H 67 4.830 5.498 -0.668 1
1 828 . 13 1 1 A 67 67 LYS CB C 67 36.779 36.433 0.346 1
1 838 . 13 1 1 A 67 67 LYS C C 67 175.992 174.767 1.225 1
1 839 . 13 1 1 A 68 68 LYS N N 68 125.838 126.989 -1.151 1
1 840 . 13 1 1 A 68 68 LYS H H 68 9.227 8.705 0.522 1
1 841 . 13 1 1 A 68 68 LYS CA C 68 58.335 56.948 1.387 1
1 842 . 13 1 1 A 68 68 LYS HA H 68 4.494 4.272 0.222 1
1 843 . 13 1 1 A 68 68 LYS CB C 68 32.893 33.051 -0.158 1
1 853 . 13 1 1 A 68 68 LYS C C 68 176.657 175.961 0.696 1
1 854 . 13 1 1 A 69 69 LEU N N 69 125.443 125.979 -0.536 1
1 855 . 13 1 1 A 69 69 LEU H H 69 8.449 8.449 0.000 1
1 856 . 13 1 1 A 69 69 LEU CA C 69 54.873 53.316 1.557 1
1 857 . 13 1 1 A 69 69 LEU HA H 69 4.437 4.703 -0.266 1
1 858 . 13 1 1 A 69 69 LEU CB C 69 42.345 42.207 0.138 1
1 871 . 13 1 1 A 69 69 LEU C C 69 176.147 176.205 -0.058 1
1 10 . 14 1 1 A 2 2 ASP N N 2 123.485 117.459 6.026 1
1 11 . 14 1 1 A 2 2 ASP H H 2 8.809 8.286 0.523 1
1 12 . 14 1 1 A 2 2 ASP CA C 2 54.244 52.832 1.412 1
1 13 . 14 1 1 A 2 2 ASP HA H 2 4.673 4.884 -0.211 1
1 14 . 14 1 1 A 2 2 ASP CB C 2 40.452 40.724 -0.272 1
1 17 . 14 1 1 A 2 2 ASP C C 2 175.771 175.600 0.171 1
1 18 . 14 1 1 A 3 3 GLU N N 3 121.725 120.147 1.578 1
1 19 . 14 1 1 A 3 3 GLU H H 3 8.684 7.800 0.884 1
1 20 . 14 1 1 A 3 3 GLU CA C 3 56.162 55.825 0.337 1
1 21 . 14 1 1 A 3 3 GLU HA H 3 4.392 4.591 -0.199 1
1 22 . 14 1 1 A 3 3 GLU CB C 3 29.170 29.355 -0.185 1
1 28 . 14 1 1 A 3 3 GLU C C 3 176.546 174.613 1.933 1
1 29 . 14 1 1 A 4 4 THR N N 4 114.384 111.001 3.383 1
1 30 . 14 1 1 A 4 4 THR H H 4 8.303 7.949 0.354 1
1 31 . 14 1 1 A 4 4 THR CA C 4 62.347 60.773 1.574 1
1 32 . 14 1 1 A 4 4 THR HA H 4 4.278 4.846 -0.568 1
1 33 . 14 1 1 A 4 4 THR CB C 4 69.672 71.221 -1.549 1
1 39 . 14 1 1 A 4 4 THR C C 4 175.306 173.459 1.847 1
1 40 . 14 1 1 A 5 5 GLY N N 5 111.296 111.868 -0.572 1
1 41 . 14 1 1 A 5 5 GLY H H 5 8.422 8.370 0.052 1
1 42 . 14 1 1 A 5 5 GLY CA C 5 45.302 45.448 -0.146 1
1 43 . 14 1 1 A 5 5 GLY HA2 H 5 3.928 3.979 -0.051 1
1 44 . 14 1 1 A 5 5 GLY HA3 H 5 3.928 3.979 -0.051 1
1 45 . 14 1 1 A 5 5 GLY C C 5 173.689 175.412 -1.723 1
1 46 . 14 1 1 A 6 6 LYS N N 6 119.850 118.369 1.481 1
1 47 . 14 1 1 A 6 6 LYS H H 6 8.008 8.241 -0.233 1
1 48 . 14 1 1 A 6 6 LYS CA C 6 55.401 57.669 -2.268 1
1 49 . 14 1 1 A 6 6 LYS HA H 6 4.381 4.258 0.123 1
1 50 . 14 1 1 A 6 6 LYS CB C 6 33.225 33.228 -0.003 1
1 62 . 14 1 1 A 6 6 LYS C C 6 175.948 177.083 -1.135 1
1 63 . 14 1 1 A 7 7 GLU N N 7 122.488 115.331 7.157 1
1 64 . 14 1 1 A 7 7 GLU H H 7 8.577 7.624 0.953 1
1 65 . 14 1 1 A 7 7 GLU CA C 7 55.690 56.343 -0.653 1
1 66 . 14 1 1 A 7 7 GLU HA H 7 4.495 4.605 -0.110 1
1 67 . 14 1 1 A 7 7 GLU CB C 7 30.382 31.518 -1.136 1
1 73 . 14 1 1 A 7 7 GLU C C 7 174.109 174.389 -0.280 1
1 74 . 14 1 1 A 8 8 LEU N N 8 123.063 128.190 -5.127 1
1 75 . 14 1 1 A 8 8 LEU H H 8 8.485 8.950 -0.465 1
1 76 . 14 1 1 A 8 8 LEU CA C 8 53.331 53.223 0.108 1
1 77 . 14 1 1 A 8 8 LEU HA H 8 5.381 5.059 0.322 1
1 78 . 14 1 1 A 8 8 LEU CB C 8 45.077 45.159 -0.082 1
1 91 . 14 1 1 A 8 8 LEU C C 8 177.344 176.261 1.083 1
1 92 . 14 1 1 A 9 9 VAL N N 9 111.683 117.689 -6.006 1
1 93 . 14 1 1 A 9 9 VAL H H 9 9.111 9.036 0.075 1
1 94 . 14 1 1 A 9 9 VAL CA C 9 57.854 59.204 -1.350 1
1 95 . 14 1 1 A 9 9 VAL HA H 9 5.214 5.125 0.089 1
1 96 . 14 1 1 A 9 9 VAL CB C 9 35.864 35.606 0.258 1
1 106 . 14 1 1 A 9 9 VAL C C 9 172.404 173.990 -1.586 1
1 107 . 14 1 1 A 10 10 LEU N N 10 123.366 127.225 -3.859 1
1 108 . 14 1 1 A 10 10 LEU H H 10 8.971 9.234 -0.263 1
1 109 . 14 1 1 A 10 10 LEU CA C 10 52.445 53.372 -0.927 1
1 110 . 14 1 1 A 10 10 LEU HA H 10 5.100 5.357 -0.257 1
1 111 . 14 1 1 A 10 10 LEU CB C 10 46.711 44.792 1.919 1
1 124 . 14 1 1 A 10 10 LEU C C 10 176.568 175.316 1.252 1
1 125 . 14 1 1 A 11 11 ALA N N 11 127.241 128.981 -1.740 1
1 126 . 14 1 1 A 11 11 ALA H H 11 9.160 9.049 0.111 1
1 127 . 14 1 1 A 11 11 ALA CA C 11 52.416 51.005 1.411 1
1 128 . 14 1 1 A 11 11 ALA HA H 11 4.610 4.468 0.142 1
1 132 . 14 1 1 A 11 11 ALA CB C 11 19.051 18.694 0.357 1
1 133 . 14 1 1 A 11 11 ALA C C 11 178.252 177.786 0.466 1
1 134 . 14 1 1 A 12 12 LEU N N 12 127.842 126.557 1.285 1
1 135 . 14 1 1 A 12 12 LEU H H 12 9.257 8.659 0.598 1
1 136 . 14 1 1 A 12 12 LEU CA C 12 55.585 57.343 -1.758 1
1 137 . 14 1 1 A 12 12 LEU HA H 12 3.884 3.899 -0.015 1
1 138 . 14 1 1 A 12 12 LEU CB C 12 43.192 41.703 1.489 1
1 151 . 14 1 1 A 12 12 LEU C C 12 174.951 176.532 -1.581 1
1 152 . 14 1 1 A 13 13 TYR N N 13 111.673 115.111 -3.438 1
1 153 . 14 1 1 A 13 13 TYR H H 13 7.129 7.972 -0.843 1
1 154 . 14 1 1 A 13 13 TYR CA C 13 54.530 56.356 -1.826 1
1 155 . 14 1 1 A 13 13 TYR HA H 13 4.617 5.133 -0.516 1
1 156 . 14 1 1 A 13 13 TYR CB C 13 42.982 41.438 1.544 1
1 167 . 14 1 1 A 13 13 TYR C C 13 173.600 175.625 -2.025 1
1 168 . 14 1 1 A 14 14 ASP N N 14 117.888 122.145 -4.257 1
1 169 . 14 1 1 A 14 14 ASP H H 14 8.328 8.657 -0.329 1
1 170 . 14 1 1 A 14 14 ASP CA C 14 54.527 54.227 0.300 1
1 171 . 14 1 1 A 14 14 ASP HA H 14 4.615 4.692 -0.077 1
1 172 . 14 1 1 A 14 14 ASP CB C 14 41.351 41.458 -0.107 1
1 175 . 14 1 1 A 14 14 ASP C C 14 176.125 175.338 0.787 1
1 176 . 14 1 1 A 15 15 TYR N N 15 120.102 121.903 -1.801 1
1 177 . 14 1 1 A 15 15 TYR H H 15 8.733 8.854 -0.121 1
1 178 . 14 1 1 A 15 15 TYR CA C 15 59.669 57.253 2.416 1
1 179 . 14 1 1 A 15 15 TYR HA H 15 4.662 5.170 -0.508 1
1 180 . 14 1 1 A 15 15 TYR CB C 15 43.400 42.021 1.379 1
1 191 . 14 1 1 A 15 15 TYR C C 15 172.803 173.512 -0.709 1
1 192 . 14 1 1 A 16 16 GLN N N 16 126.945 123.518 3.427 1
1 193 . 14 1 1 A 16 16 GLN H H 16 7.546 8.057 -0.511 1
1 194 . 14 1 1 A 16 16 GLN CA C 16 53.820 55.224 -1.404 1
1 195 . 14 1 1 A 16 16 GLN HA H 16 4.500 4.811 -0.311 1
1 196 . 14 1 1 A 16 16 GLN CB C 16 29.378 29.799 -0.421 1
1 202 . 14 1 1 A 16 16 GLN C C 16 173.910 174.525 -0.615 1
1 203 . 14 1 1 A 17 17 GLU N N 17 123.035 123.715 -0.680 1
1 204 . 14 1 1 A 17 17 GLU H H 17 7.930 8.893 -0.963 1
1 205 . 14 1 1 A 17 17 GLU CA C 17 56.078 56.861 -0.783 1
1 206 . 14 1 1 A 17 17 GLU HA H 17 4.211 4.293 -0.082 1
1 207 . 14 1 1 A 17 17 GLU CB C 17 29.520 30.281 -0.761 1
1 213 . 14 1 1 A 17 17 GLU C C 17 175.926 177.038 -1.112 1
1 214 . 14 1 1 A 18 18 LYS N N 18 120.770 119.839 0.931 1
1 215 . 14 1 1 A 18 18 LYS H H 18 8.801 8.811 -0.010 1
1 216 . 14 1 1 A 18 18 LYS CA C 18 55.164 56.464 -1.300 1
1 217 . 14 1 1 A 18 18 LYS HA H 18 4.424 4.628 -0.204 1
1 218 . 14 1 1 A 18 18 LYS CB C 18 33.328 34.335 -1.007 1
1 230 . 14 1 1 A 18 18 LYS C C 18 176.192 176.140 0.052 1
1 231 . 14 1 1 A 19 19 SER N N 19 114.841 115.865 -1.024 1
1 232 . 14 1 1 A 19 19 SER H H 19 7.619 7.917 -0.298 1
1 233 . 14 1 1 A 19 19 SER CA C 19 56.678 55.681 0.997 1
1 234 . 14 1 1 A 19 19 SER HA H 19 4.863 4.941 -0.078 1
1 235 . 14 1 1 A 19 19 SER CB C 19 64.060 64.871 -0.811 1
1 239 . 14 1 1 A 20 20 PRO CA C 20 64.803 64.471 0.332 1
1 240 . 14 1 1 A 20 20 PRO HA H 20 4.549 4.519 0.030 1
1 241 . 14 1 1 A 20 20 PRO CB C 20 31.894 31.819 0.075 1
1 249 . 14 1 1 A 20 20 PRO C C 20 176.679 177.968 -1.289 1
1 250 . 14 1 1 A 21 21 ARG N N 21 113.864 117.475 -3.611 1
1 251 . 14 1 1 A 21 21 ARG H H 21 7.687 8.264 -0.577 1
1 252 . 14 1 1 A 21 21 ARG CA C 21 56.119 58.587 -2.468 1
1 253 . 14 1 1 A 21 21 ARG HA H 21 4.598 4.263 0.335 1
1 254 . 14 1 1 A 21 21 ARG CB C 21 30.299 30.441 -0.142 1
1 263 . 14 1 1 A 21 21 ARG C C 21 176.369 176.845 -0.476 1
1 264 . 14 1 1 A 22 22 GLU N N 22 121.539 120.123 1.416 1
1 265 . 14 1 1 A 22 22 GLU H H 22 7.842 7.795 0.047 1
1 266 . 14 1 1 A 22 22 GLU CA C 22 54.951 56.152 -1.201 1
1 267 . 14 1 1 A 22 22 GLU HA H 22 5.484 4.648 0.836 1
1 268 . 14 1 1 A 22 22 GLU CB C 22 33.535 31.314 2.221 1
1 274 . 14 1 1 A 22 22 GLU C C 22 174.375 175.664 -1.289 1
1 275 . 14 1 1 A 23 23 VAL N N 23 111.923 118.941 -7.018 1
1 276 . 14 1 1 A 23 23 VAL H H 23 7.373 8.431 -1.058 1
1 277 . 14 1 1 A 23 23 VAL CA C 23 59.570 59.762 -0.192 1
1 278 . 14 1 1 A 23 23 VAL HA H 23 4.531 5.176 -0.645 1
1 279 . 14 1 1 A 23 23 VAL CB C 23 34.667 36.194 -1.527 1
1 289 . 14 1 1 A 23 23 VAL C C 23 172.625 173.849 -1.224 1
1 290 . 14 1 1 A 24 24 THR N N 24 117.656 115.573 2.083 1
1 291 . 14 1 1 A 24 24 THR H H 24 7.112 8.814 -1.702 1
1 292 . 14 1 1 A 24 24 THR CA C 24 61.994 60.427 1.567 1
1 293 . 14 1 1 A 24 24 THR HA H 24 5.119 5.138 -0.019 1
1 294 . 14 1 1 A 24 24 THR CB C 24 71.220 71.073 0.147 1
1 300 . 14 1 1 A 24 24 THR C C 24 174.309 171.767 2.542 1
1 301 . 14 1 1 A 25 25 MET N N 25 122.056 123.293 -1.237 1
1 302 . 14 1 1 A 25 25 MET H H 25 9.515 9.053 0.462 1
1 303 . 14 1 1 A 25 25 MET CA C 25 54.247 54.494 -0.247 1
1 304 . 14 1 1 A 25 25 MET HA H 25 4.935 5.061 -0.126 1
1 305 . 14 1 1 A 25 25 MET CB C 25 36.287 37.423 -1.136 1
1 312 . 14 1 1 A 25 25 MET C C 25 173.777 175.046 -1.269 1
1 313 . 14 1 1 A 26 26 LYS N N 26 124.668 122.883 1.785 1
1 314 . 14 1 1 A 26 26 LYS H H 26 8.949 8.878 0.071 1
1 315 . 14 1 1 A 26 26 LYS CA C 26 53.476 54.175 -0.699 1
1 316 . 14 1 1 A 26 26 LYS HA H 26 4.896 4.894 0.002 1
1 317 . 14 1 1 A 26 26 LYS CB C 26 34.097 35.647 -1.550 1
1 327 . 14 1 1 A 26 26 LYS C C 26 174.929 175.734 -0.805 1
1 328 . 14 1 1 A 27 27 LYS N N 27 122.567 123.817 -1.250 1
1 329 . 14 1 1 A 27 27 LYS H H 27 9.061 8.727 0.334 1
1 330 . 14 1 1 A 27 27 LYS CA C 27 58.539 58.676 -0.137 1
1 331 . 14 1 1 A 27 27 LYS HA H 27 4.656 3.802 0.854 1
1 332 . 14 1 1 A 27 27 LYS CB C 27 32.202 32.122 0.080 1
1 344 . 14 1 1 A 27 27 LYS C C 27 177.344 177.424 -0.080 1
1 345 . 14 1 1 A 28 28 GLY N N 28 115.884 112.694 3.190 1
1 346 . 14 1 1 A 28 28 GLY H H 28 8.900 9.081 -0.181 1
1 347 . 14 1 1 A 28 28 GLY CA C 28 44.779 45.538 -0.759 1
1 348 . 14 1 1 A 28 28 GLY HA2 H 28 3.523 3.914 -0.391 1
1 349 . 14 1 1 A 28 28 GLY HA3 H 28 4.469 3.923 0.546 1
1 350 . 14 1 1 A 28 28 GLY C C 28 174.021 173.765 0.256 1
1 351 . 14 1 1 A 29 29 ASP N N 29 122.466 120.611 1.855 1
1 352 . 14 1 1 A 29 29 ASP H H 29 8.513 8.037 0.476 1
1 353 . 14 1 1 A 29 29 ASP CA C 29 55.711 53.467 2.244 1
1 354 . 14 1 1 A 29 29 ASP HA H 29 4.523 4.855 -0.332 1
1 355 . 14 1 1 A 29 29 ASP CB C 29 41.361 42.569 -1.208 1
1 358 . 14 1 1 A 29 29 ASP C C 29 174.331 175.580 -1.249 1
1 359 . 14 1 1 A 30 30 ILE N N 30 120.470 122.659 -2.189 1
1 360 . 14 1 1 A 30 30 ILE H H 30 8.204 8.378 -0.174 1
1 361 . 14 1 1 A 30 30 ILE CA C 30 60.164 60.442 -0.278 1
1 362 . 14 1 1 A 30 30 ILE HA H 30 5.025 5.309 -0.284 1
1 363 . 14 1 1 A 30 30 ILE CB C 30 38.257 41.936 -3.679 1
1 372 . 14 1 1 A 30 30 ILE C C 30 176.236 174.795 1.441 1
1 373 . 14 1 1 A 31 31 LEU N N 31 128.265 126.423 1.842 1
1 374 . 14 1 1 A 31 31 LEU H H 31 9.353 8.825 0.528 1
1 375 . 14 1 1 A 31 31 LEU CA C 31 53.601 53.721 -0.120 1
1 376 . 14 1 1 A 31 31 LEU HA H 31 4.998 4.980 0.018 1
1 377 . 14 1 1 A 31 31 LEU CB C 31 43.893 45.793 -1.900 1
1 388 . 14 1 1 A 31 31 LEU C C 31 175.638 176.102 -0.464 1
1 389 . 14 1 1 A 32 32 THR N N 32 117.089 119.146 -2.057 1
1 390 . 14 1 1 A 32 32 THR H H 32 8.141 8.612 -0.471 1
1 391 . 14 1 1 A 32 32 THR CA C 32 63.263 62.935 0.328 1
1 392 . 14 1 1 A 32 32 THR HA H 32 4.619 4.515 0.104 1
1 393 . 14 1 1 A 32 32 THR CB C 32 69.867 69.481 0.386 1
1 399 . 14 1 1 A 32 32 THR C C 32 173.600 174.170 -0.570 1
1 400 . 14 1 1 A 33 33 LEU N N 33 129.212 128.267 0.945 1
1 401 . 14 1 1 A 33 33 LEU H H 33 9.070 8.753 0.317 1
1 402 . 14 1 1 A 33 33 LEU CA C 33 54.671 55.726 -1.055 1
1 403 . 14 1 1 A 33 33 LEU HA H 33 4.356 4.356 0.000 1
1 404 . 14 1 1 A 33 33 LEU CB C 33 42.968 42.461 0.507 1
1 417 . 14 1 1 A 33 33 LEU C C 33 174.553 175.979 -1.426 1
1 418 . 14 1 1 A 34 34 LEU N N 34 125.880 127.489 -1.609 1
1 419 . 14 1 1 A 34 34 LEU H H 34 9.051 9.338 -0.287 1
1 420 . 14 1 1 A 34 34 LEU CA C 34 54.811 55.955 -1.144 1
1 421 . 14 1 1 A 34 34 LEU HA H 34 4.532 4.395 0.137 1
1 422 . 14 1 1 A 34 34 LEU CB C 34 42.977 42.896 0.081 1
1 434 . 14 1 1 A 34 34 LEU C C 34 177.477 176.593 0.884 1
1 435 . 14 1 1 A 35 35 ASN N N 35 113.971 115.632 -1.661 1
1 436 . 14 1 1 A 35 35 ASN H H 35 7.600 7.457 0.143 1
1 437 . 14 1 1 A 35 35 ASN CA C 35 54.543 52.664 1.879 1
1 438 . 14 1 1 A 35 35 ASN HA H 35 4.680 5.136 -0.456 1
1 439 . 14 1 1 A 35 35 ASN CB C 35 40.958 40.781 0.177 1
1 443 . 14 1 1 A 35 35 ASN C C 35 174.375 174.262 0.113 1
1 444 . 14 1 1 A 36 36 SER N N 36 123.815 117.334 6.481 1
1 445 . 14 1 1 A 36 36 SER H H 36 9.194 8.471 0.723 1
1 446 . 14 1 1 A 36 36 SER CA C 36 56.692 57.201 -0.509 1
1 447 . 14 1 1 A 36 36 SER HA H 36 3.921 4.741 -0.820 1
1 448 . 14 1 1 A 36 36 SER CB C 36 62.180 62.636 -0.456 1
1 451 . 14 1 1 A 36 36 SER C C 36 173.401 175.331 -1.930 1
1 452 . 14 1 1 A 37 37 THR N N 37 115.041 115.914 -0.873 1
1 453 . 14 1 1 A 37 37 THR H H 37 8.178 7.698 0.480 1
1 454 . 14 1 1 A 37 37 THR CA C 37 65.484 64.796 0.688 1
1 455 . 14 1 1 A 37 37 THR HA H 37 4.528 4.151 0.377 1
1 456 . 14 1 1 A 37 37 THR CB C 37 69.416 68.997 0.419 1
1 462 . 14 1 1 A 37 37 THR C C 37 175.261 174.955 0.306 1
1 463 . 14 1 1 A 38 38 ASN N N 38 122.494 119.616 2.878 1
1 464 . 14 1 1 A 38 38 ASN H H 38 8.674 7.975 0.699 1
1 465 . 14 1 1 A 38 38 ASN CA C 38 53.188 52.247 0.941 1
1 466 . 14 1 1 A 38 38 ASN HA H 38 4.863 5.051 -0.188 1
1 467 . 14 1 1 A 38 38 ASN CB C 38 40.525 40.852 -0.327 1
1 470 . 14 1 1 A 38 38 ASN C C 38 174.575 175.837 -1.262 1
1 471 . 14 1 1 A 39 39 LYS N N 39 120.915 121.674 -0.759 1
1 472 . 14 1 1 A 39 39 LYS H H 39 8.510 8.513 -0.003 1
1 473 . 14 1 1 A 39 39 LYS CA C 39 58.333 56.892 1.441 1
1 474 . 14 1 1 A 39 39 LYS HA H 39 4.247 4.930 -0.683 1
1 475 . 14 1 1 A 39 39 LYS CB C 39 32.520 34.546 -2.026 1
1 485 . 14 1 1 A 39 39 LYS C C 39 176.236 177.868 -1.632 1
1 486 . 14 1 1 A 40 40 ASP N N 40 114.628 118.164 -3.536 1
1 487 . 14 1 1 A 40 40 ASP H H 40 8.173 7.908 0.265 1
1 488 . 14 1 1 A 40 40 ASP CA C 40 55.380 56.031 -0.651 1
1 489 . 14 1 1 A 40 40 ASP HA H 40 4.544 4.317 0.227 1
1 490 . 14 1 1 A 40 40 ASP CB C 40 43.415 42.058 1.357 1
1 493 . 14 1 1 A 40 40 ASP C C 40 176.967 175.419 1.548 1
1 494 . 14 1 1 A 41 41 TRP N N 41 122.703 115.196 7.507 1
1 495 . 14 1 1 A 41 41 TRP H H 41 8.209 7.764 0.445 1
1 496 . 14 1 1 A 41 41 TRP CA C 41 56.184 55.919 0.265 1
1 497 . 14 1 1 A 41 41 TRP HA H 41 5.075 5.509 -0.434 1
1 498 . 14 1 1 A 41 41 TRP CB C 41 32.019 33.185 -1.166 1
1 513 . 14 1 1 A 41 41 TRP C C 41 174.176 175.623 -1.447 1
1 514 . 14 1 1 A 42 42 TRP N N 42 124.895 123.157 1.738 1
1 515 . 14 1 1 A 42 42 TRP H H 42 9.366 9.188 0.178 1
1 516 . 14 1 1 A 42 42 TRP CA C 42 54.076 55.706 -1.630 1
1 517 . 14 1 1 A 42 42 TRP HA H 42 5.523 5.348 0.175 1
1 518 . 14 1 1 A 42 42 TRP CB C 42 31.447 31.951 -0.504 1
1 533 . 14 1 1 A 42 42 TRP C C 42 174.109 175.491 -1.382 1
1 534 . 14 1 1 A 43 43 LYS N N 43 124.120 124.544 -0.424 1
1 535 . 14 1 1 A 43 43 LYS H H 43 8.883 8.932 -0.049 1
1 536 . 14 1 1 A 43 43 LYS CA C 43 55.158 55.862 -0.704 1
1 537 . 14 1 1 A 43 43 LYS HA H 43 4.368 4.682 -0.314 1
1 538 . 14 1 1 A 43 43 LYS CB C 43 33.794 33.187 0.607 1
1 550 . 14 1 1 A 43 43 LYS C C 43 175.416 176.071 -0.655 1
1 551 . 14 1 1 A 44 44 VAL N N 44 122.055 120.634 1.421 1
1 552 . 14 1 1 A 44 44 VAL H H 44 9.427 8.985 0.442 1
1 553 . 14 1 1 A 44 44 VAL CA C 44 58.825 58.882 -0.057 1
1 554 . 14 1 1 A 44 44 VAL HA H 44 5.375 5.160 0.215 1
1 555 . 14 1 1 A 44 44 VAL CB C 44 36.593 35.280 1.313 1
1 565 . 14 1 1 A 44 44 VAL C C 44 173.223 173.549 -0.326 1
1 566 . 14 1 1 A 45 45 GLU N N 45 118.673 122.648 -3.975 1
1 567 . 14 1 1 A 45 45 GLU H H 45 8.733 8.932 -0.199 1
1 568 . 14 1 1 A 45 45 GLU CA C 45 54.249 54.885 -0.636 1
1 569 . 14 1 1 A 45 45 GLU HA H 45 5.432 4.964 0.468 1
1 570 . 14 1 1 A 45 45 GLU CB C 45 33.286 32.303 0.983 1
1 576 . 14 1 1 A 45 45 GLU C C 45 174.774 175.362 -0.588 1
1 577 . 14 1 1 A 46 46 VAL N N 46 123.551 126.726 -3.175 1
1 578 . 14 1 1 A 46 46 VAL H H 46 9.058 9.210 -0.152 1
1 579 . 14 1 1 A 46 46 VAL CA C 46 59.627 60.649 -1.022 1
1 580 . 14 1 1 A 46 46 VAL HA H 46 4.669 4.660 0.009 1
1 581 . 14 1 1 A 46 46 VAL CB C 46 35.290 33.712 1.578 1
1 590 . 14 1 1 A 46 46 VAL C C 46 173.534 175.097 -1.563 1
1 591 . 14 1 1 A 47 47 LYS N N 47 124.992 124.518 0.474 1
1 592 . 14 1 1 A 47 47 LYS H H 47 8.446 8.273 0.173 1
1 593 . 14 1 1 A 47 47 LYS CA C 47 55.905 54.788 1.117 1
1 594 . 14 1 1 A 47 47 LYS HA H 47 4.763 4.915 -0.152 1
1 595 . 14 1 1 A 47 47 LYS CB C 47 33.450 35.320 -1.870 1
1 605 . 14 1 1 A 47 47 LYS C C 47 175.306 175.233 0.073 1
1 606 . 14 1 1 A 48 48 ALA N N 48 128.781 122.793 5.988 1
1 607 . 14 1 1 A 48 48 ALA H H 48 8.757 8.459 0.298 1
1 608 . 14 1 1 A 48 48 ALA CA C 48 50.828 51.118 -0.290 1
1 609 . 14 1 1 A 48 48 ALA HA H 48 4.616 4.667 -0.051 1
1 613 . 14 1 1 A 48 48 ALA CB C 48 21.741 23.553 -1.812 1
1 614 . 14 1 1 A 48 48 ALA C C 48 175.173 175.010 0.163 1
1 615 . 14 1 1 A 49 49 THR N N 49 113.585 114.096 -0.511 1
1 616 . 14 1 1 A 49 49 THR H H 49 8.333 8.499 -0.166 1
1 617 . 14 1 1 A 49 49 THR CA C 49 60.826 61.094 -0.268 1
1 618 . 14 1 1 A 49 49 THR HA H 49 5.257 5.525 -0.268 1
1 619 . 14 1 1 A 49 49 THR CB C 49 71.045 72.167 -1.122 1
1 624 . 14 1 1 A 49 49 THR C C 49 174.176 173.216 0.960 1
1 625 . 14 1 1 A 50 50 ALA N N 50 127.142 125.135 2.007 1
1 626 . 14 1 1 A 50 50 ALA H H 50 8.914 9.065 -0.151 1
1 627 . 14 1 1 A 50 50 ALA CA C 50 52.345 52.018 0.327 1
1 628 . 14 1 1 A 50 50 ALA HA H 50 4.603 4.563 0.040 1
1 632 . 14 1 1 A 50 50 ALA CB C 50 20.935 21.944 -1.009 1
1 633 . 14 1 1 A 50 50 ALA C C 50 177.299 175.868 1.431 1
1 634 . 14 1 1 A 51 51 ASN N N 51 121.555 122.502 -0.947 1
1 635 . 14 1 1 A 51 51 ASN H H 51 9.491 9.293 0.198 1
1 636 . 14 1 1 A 51 51 ASN CA C 51 54.177 54.434 -0.257 1
1 637 . 14 1 1 A 51 51 ASN HA H 51 4.389 4.424 -0.035 1
1 638 . 14 1 1 A 51 51 ASN CB C 51 37.413 37.250 0.163 1
1 641 . 14 1 1 A 51 51 ASN C C 51 175.106 175.587 -0.481 1
1 642 . 14 1 1 A 52 52 GLY N N 52 103.942 104.167 -0.225 1
1 643 . 14 1 1 A 52 52 GLY H H 52 8.681 8.697 -0.016 1
1 644 . 14 1 1 A 52 52 GLY CA C 52 45.443 45.645 -0.202 1
1 645 . 14 1 1 A 52 52 GLY HA2 H 52 3.624 3.897 -0.273 1
1 646 . 14 1 1 A 52 52 GLY HA3 H 52 4.143 3.902 0.241 1
1 647 . 14 1 1 A 52 52 GLY C C 52 173.666 173.766 -0.100 1
1 648 . 14 1 1 A 53 53 LYS N N 53 121.213 120.375 0.838 1
1 649 . 14 1 1 A 53 53 LYS H H 53 7.893 8.027 -0.134 1
1 650 . 14 1 1 A 53 53 LYS CA C 53 54.807 54.277 0.530 1
1 651 . 14 1 1 A 53 53 LYS HA H 53 4.727 4.844 -0.117 1
1 652 . 14 1 1 A 53 53 LYS CB C 53 34.737 35.320 -0.583 1
1 664 . 14 1 1 A 53 53 LYS C C 53 175.239 175.639 -0.400 1
1 665 . 14 1 1 A 54 54 THR N N 54 118.501 115.095 3.406 1
1 666 . 14 1 1 A 54 54 THR H H 54 8.498 8.749 -0.251 1
1 667 . 14 1 1 A 54 54 THR CA C 54 61.925 61.279 0.646 1
1 668 . 14 1 1 A 54 54 THR HA H 54 5.117 5.259 -0.142 1
1 669 . 14 1 1 A 54 54 THR CB C 54 70.294 70.198 0.096 1
1 675 . 14 1 1 A 54 54 THR C C 54 173.733 173.848 -0.115 1
1 676 . 14 1 1 A 55 55 TYR N N 55 125.105 119.458 5.647 1
1 677 . 14 1 1 A 55 55 TYR H H 55 9.122 9.436 -0.314 1
1 678 . 14 1 1 A 55 55 TYR CA C 55 56.149 55.207 0.942 1
1 679 . 14 1 1 A 55 55 TYR HA H 55 4.857 5.632 -0.775 1
1 680 . 14 1 1 A 55 55 TYR CB C 55 40.090 41.829 -1.739 1
1 691 . 14 1 1 A 55 55 TYR C C 55 172.847 173.409 -0.562 1
1 692 . 14 1 1 A 56 56 GLU N N 56 119.744 119.877 -0.133 1
1 693 . 14 1 1 A 56 56 GLU H H 56 8.503 8.804 -0.301 1
1 694 . 14 1 1 A 56 56 GLU CA C 56 54.739 54.984 -0.245 1
1 695 . 14 1 1 A 56 56 GLU HA H 56 5.030 5.293 -0.263 1
1 696 . 14 1 1 A 56 56 GLU CB C 56 30.297 32.995 -2.698 1
1 701 . 14 1 1 A 56 56 GLU C C 56 175.394 175.588 -0.194 1
1 702 . 14 1 1 A 57 57 ARG N N 57 123.665 121.953 1.712 1
1 703 . 14 1 1 A 57 57 ARG H H 57 8.897 9.171 -0.274 1
1 704 . 14 1 1 A 57 57 ARG CA C 57 54.944 54.806 0.138 1
1 705 . 14 1 1 A 57 57 ARG HA H 57 4.663 5.113 -0.450 1
1 706 . 14 1 1 A 57 57 ARG CB C 57 33.471 33.428 0.043 1
1 713 . 14 1 1 A 57 57 ARG C C 57 174.198 174.634 -0.436 1
1 714 . 14 1 1 A 58 58 GLN N N 58 119.967 123.208 -3.241 1
1 715 . 14 1 1 A 58 58 GLN H H 58 8.604 8.544 0.060 1
1 716 . 14 1 1 A 58 58 GLN CA C 58 53.394 54.905 -1.511 1
1 717 . 14 1 1 A 58 58 GLN HA H 58 5.602 4.992 0.610 1
1 718 . 14 1 1 A 58 58 GLN CB C 58 31.229 30.322 0.907 1
1 724 . 14 1 1 A 58 58 GLN C C 58 175.771 175.919 -0.148 1
1 725 . 14 1 1 A 59 59 GLY N N 59 107.507 108.938 -1.431 1
1 726 . 14 1 1 A 59 59 GLY H H 59 8.652 8.496 0.156 1
1 727 . 14 1 1 A 59 59 GLY CA C 59 45.583 45.705 -0.122 1
1 728 . 14 1 1 A 59 59 GLY HA2 H 59 3.947 4.278 -0.331 1
1 729 . 14 1 1 A 59 59 GLY HA3 H 59 3.947 4.337 -0.390 1
1 730 . 14 1 1 A 59 59 GLY C C 59 170.255 171.650 -1.395 1
1 731 . 14 1 1 A 60 60 PHE N N 60 119.079 119.350 -0.271 1
1 732 . 14 1 1 A 60 60 PHE H H 60 9.153 8.725 0.428 1
1 733 . 14 1 1 A 60 60 PHE CA C 60 58.544 56.907 1.637 1
1 734 . 14 1 1 A 60 60 PHE HA H 60 5.666 5.684 -0.018 1
1 735 . 14 1 1 A 60 60 PHE CB C 60 42.484 42.237 0.247 1
1 748 . 14 1 1 A 60 60 PHE C C 60 175.461 175.413 0.048 1
1 749 . 14 1 1 A 61 61 VAL N N 61 110.995 116.702 -5.707 1
1 750 . 14 1 1 A 61 61 VAL H H 61 9.065 9.115 -0.050 1
1 751 . 14 1 1 A 61 61 VAL CA C 61 58.189 58.267 -0.078 1
1 752 . 14 1 1 A 61 61 VAL HA H 61 4.823 5.060 -0.237 1
1 753 . 14 1 1 A 61 61 VAL CB C 61 33.521 34.641 -1.120 1
1 764 . 14 1 1 A 62 62 PRO CA C 62 61.852 61.892 -0.040 1
1 765 . 14 1 1 A 62 62 PRO HA H 62 3.556 3.748 -0.192 1
1 766 . 14 1 1 A 62 62 PRO CB C 62 29.777 30.750 -0.973 1
1 774 . 14 1 1 A 62 62 PRO C C 62 177.787 177.326 0.461 1
1 775 . 14 1 1 A 63 63 ALA N N 63 129.142 127.706 1.436 1
1 776 . 14 1 1 A 63 63 ALA H H 63 7.477 8.010 -0.533 1
1 777 . 14 1 1 A 63 63 ALA CA C 63 54.472 53.513 0.959 1
1 778 . 14 1 1 A 63 63 ALA HA H 63 2.652 3.050 -0.398 1
1 782 . 14 1 1 A 63 63 ALA CB C 63 15.666 17.095 -1.429 1
1 783 . 14 1 1 A 63 63 ALA C C 63 178.429 178.414 0.015 1
1 784 . 14 1 1 A 64 64 ALA N N 64 113.522 119.114 -5.592 1
1 785 . 14 1 1 A 64 64 ALA H H 64 7.867 7.122 0.745 1
1 786 . 14 1 1 A 64 64 ALA CA C 64 52.768 54.078 -1.310 1
1 787 . 14 1 1 A 64 64 ALA HA H 64 4.006 3.891 0.115 1
1 791 . 14 1 1 A 64 64 ALA CB C 64 17.629 17.876 -0.247 1
1 792 . 14 1 1 A 64 64 ALA C C 64 178.097 178.293 -0.196 1
1 793 . 14 1 1 A 65 65 TYR N N 65 116.109 116.293 -0.184 1
1 794 . 14 1 1 A 65 65 TYR H H 65 7.698 7.606 0.092 1
1 795 . 14 1 1 A 65 65 TYR CA C 65 56.328 58.873 -2.545 1
1 796 . 14 1 1 A 65 65 TYR HA H 65 4.758 4.770 -0.012 1
1 797 . 14 1 1 A 65 65 TYR CB C 65 37.765 39.969 -2.204 1
1 808 . 14 1 1 A 65 65 TYR C C 65 174.375 175.655 -1.280 1
1 809 . 14 1 1 A 66 66 VAL N N 66 111.053 114.698 -3.645 1
1 810 . 14 1 1 A 66 66 VAL H H 66 7.415 7.083 0.332 1
1 811 . 14 1 1 A 66 66 VAL CA C 66 58.119 59.240 -1.121 1
1 812 . 14 1 1 A 66 66 VAL HA H 66 5.538 5.169 0.369 1
1 813 . 14 1 1 A 66 66 VAL CB C 66 35.809 34.426 1.383 1
1 823 . 14 1 1 A 66 66 VAL C C 66 173.511 174.911 -1.400 1
1 824 . 14 1 1 A 67 67 LYS N N 67 118.588 122.897 -4.309 1
1 825 . 14 1 1 A 67 67 LYS H H 67 8.631 8.988 -0.357 1
1 826 . 14 1 1 A 67 67 LYS CA C 67 54.035 54.441 -0.406 1
1 827 . 14 1 1 A 67 67 LYS HA H 67 4.830 5.278 -0.448 1
1 828 . 14 1 1 A 67 67 LYS CB C 67 36.779 36.354 0.425 1
1 838 . 14 1 1 A 67 67 LYS C C 67 175.992 175.223 0.769 1
1 839 . 14 1 1 A 68 68 LYS N N 68 125.838 123.091 2.747 1
1 840 . 14 1 1 A 68 68 LYS H H 68 9.227 8.777 0.450 1
1 841 . 14 1 1 A 68 68 LYS CA C 68 58.335 56.508 1.827 1
1 842 . 14 1 1 A 68 68 LYS HA H 68 4.494 4.506 -0.012 1
1 843 . 14 1 1 A 68 68 LYS CB C 68 32.893 32.572 0.321 1
1 853 . 14 1 1 A 68 68 LYS C C 68 176.657 177.850 -1.193 1
1 854 . 14 1 1 A 69 69 LEU N N 69 125.443 121.146 4.297 1
1 855 . 14 1 1 A 69 69 LEU H H 69 8.449 8.430 0.019 1
1 856 . 14 1 1 A 69 69 LEU CA C 69 54.873 54.615 0.258 1
1 857 . 14 1 1 A 69 69 LEU HA H 69 4.437 4.591 -0.154 1
1 858 . 14 1 1 A 69 69 LEU CB C 69 42.345 42.009 0.336 1
1 871 . 14 1 1 A 69 69 LEU C C 69 176.147 176.783 -0.636 1
1 10 . 15 1 1 A 2 2 ASP N N 2 123.485 110.720 12.765 1
1 11 . 15 1 1 A 2 2 ASP H H 2 8.809 8.412 0.397 1
1 12 . 15 1 1 A 2 2 ASP CA C 2 54.244 55.498 -1.254 1
1 13 . 15 1 1 A 2 2 ASP HA H 2 4.673 4.173 0.500 1
1 14 . 15 1 1 A 2 2 ASP CB C 2 40.452 39.408 1.044 1
1 17 . 15 1 1 A 2 2 ASP C C 2 175.771 174.604 1.167 1
1 18 . 15 1 1 A 3 3 GLU N N 3 121.725 114.972 6.753 1
1 19 . 15 1 1 A 3 3 GLU H H 3 8.684 7.764 0.920 1
1 20 . 15 1 1 A 3 3 GLU CA C 3 56.162 54.412 1.750 1
1 21 . 15 1 1 A 3 3 GLU HA H 3 4.392 4.875 -0.483 1
1 22 . 15 1 1 A 3 3 GLU CB C 3 29.170 32.463 -3.293 1
1 28 . 15 1 1 A 3 3 GLU C C 3 176.546 174.953 1.593 1
1 29 . 15 1 1 A 4 4 THR N N 4 114.384 108.819 5.565 1
1 30 . 15 1 1 A 4 4 THR H H 4 8.303 8.678 -0.375 1
1 31 . 15 1 1 A 4 4 THR CA C 4 62.347 60.651 1.696 1
1 32 . 15 1 1 A 4 4 THR HA H 4 4.278 5.028 -0.750 1
1 33 . 15 1 1 A 4 4 THR CB C 4 69.672 71.093 -1.421 1
1 39 . 15 1 1 A 4 4 THR C C 4 175.306 173.966 1.340 1
1 40 . 15 1 1 A 5 5 GLY N N 5 111.296 111.800 -0.504 1
1 41 . 15 1 1 A 5 5 GLY H H 5 8.422 8.860 -0.438 1
1 42 . 15 1 1 A 5 5 GLY CA C 5 45.302 45.882 -0.580 1
1 43 . 15 1 1 A 5 5 GLY HA2 H 5 3.928 4.093 -0.165 1
1 44 . 15 1 1 A 5 5 GLY HA3 H 5 3.928 4.094 -0.166 1
1 45 . 15 1 1 A 5 5 GLY C C 5 173.689 174.594 -0.905 1
1 46 . 15 1 1 A 6 6 LYS N N 6 119.850 117.455 2.395 1
1 47 . 15 1 1 A 6 6 LYS H H 6 8.008 7.511 0.497 1
1 48 . 15 1 1 A 6 6 LYS CA C 6 55.401 57.113 -1.712 1
1 49 . 15 1 1 A 6 6 LYS HA H 6 4.381 4.421 -0.040 1
1 50 . 15 1 1 A 6 6 LYS CB C 6 33.225 34.675 -1.450 1
1 62 . 15 1 1 A 6 6 LYS C C 6 175.948 176.340 -0.392 1
1 63 . 15 1 1 A 7 7 GLU N N 7 122.488 114.277 8.211 1
1 64 . 15 1 1 A 7 7 GLU H H 7 8.577 7.718 0.859 1
1 65 . 15 1 1 A 7 7 GLU CA C 7 55.690 56.139 -0.449 1
1 66 . 15 1 1 A 7 7 GLU HA H 7 4.495 4.679 -0.184 1
1 67 . 15 1 1 A 7 7 GLU CB C 7 30.382 33.075 -2.693 1
1 73 . 15 1 1 A 7 7 GLU C C 7 174.109 174.215 -0.106 1
1 74 . 15 1 1 A 8 8 LEU N N 8 123.063 124.498 -1.435 1
1 75 . 15 1 1 A 8 8 LEU H H 8 8.485 8.590 -0.105 1
1 76 . 15 1 1 A 8 8 LEU CA C 8 53.331 53.371 -0.040 1
1 77 . 15 1 1 A 8 8 LEU HA H 8 5.381 5.061 0.320 1
1 78 . 15 1 1 A 8 8 LEU CB C 8 45.077 46.259 -1.182 1
1 91 . 15 1 1 A 8 8 LEU C C 8 177.344 175.750 1.594 1
1 92 . 15 1 1 A 9 9 VAL N N 9 111.683 117.523 -5.840 1
1 93 . 15 1 1 A 9 9 VAL H H 9 9.111 9.265 -0.154 1
1 94 . 15 1 1 A 9 9 VAL CA C 9 57.854 59.275 -1.421 1
1 95 . 15 1 1 A 9 9 VAL HA H 9 5.214 5.017 0.197 1
1 96 . 15 1 1 A 9 9 VAL CB C 9 35.864 35.132 0.732 1
1 106 . 15 1 1 A 9 9 VAL C C 9 172.404 174.169 -1.765 1
1 107 . 15 1 1 A 10 10 LEU N N 10 123.366 126.974 -3.608 1
1 108 . 15 1 1 A 10 10 LEU H H 10 8.971 9.086 -0.115 1
1 109 . 15 1 1 A 10 10 LEU CA C 10 52.445 53.903 -1.458 1
1 110 . 15 1 1 A 10 10 LEU HA H 10 5.100 4.877 0.223 1
1 111 . 15 1 1 A 10 10 LEU CB C 10 46.711 44.276 2.435 1
1 124 . 15 1 1 A 10 10 LEU C C 10 176.568 175.406 1.162 1
1 125 . 15 1 1 A 11 11 ALA N N 11 127.241 128.707 -1.466 1
1 126 . 15 1 1 A 11 11 ALA H H 11 9.160 9.127 0.033 1
1 127 . 15 1 1 A 11 11 ALA CA C 11 52.416 51.478 0.938 1
1 128 . 15 1 1 A 11 11 ALA HA H 11 4.610 4.627 -0.017 1
1 132 . 15 1 1 A 11 11 ALA CB C 11 19.051 19.649 -0.598 1
1 133 . 15 1 1 A 11 11 ALA C C 11 178.252 176.796 1.456 1
1 134 . 15 1 1 A 12 12 LEU N N 12 127.842 124.883 2.959 1
1 135 . 15 1 1 A 12 12 LEU H H 12 9.257 9.536 -0.279 1
1 136 . 15 1 1 A 12 12 LEU CA C 12 55.585 56.054 -0.469 1
1 137 . 15 1 1 A 12 12 LEU HA H 12 3.884 4.290 -0.406 1
1 138 . 15 1 1 A 12 12 LEU CB C 12 43.192 42.700 0.492 1
1 151 . 15 1 1 A 12 12 LEU C C 12 174.951 176.291 -1.340 1
1 152 . 15 1 1 A 13 13 TYR N N 13 111.673 115.907 -4.234 1
1 153 . 15 1 1 A 13 13 TYR H H 13 7.129 7.902 -0.773 1
1 154 . 15 1 1 A 13 13 TYR CA C 13 54.530 56.450 -1.920 1
1 155 . 15 1 1 A 13 13 TYR HA H 13 4.617 5.130 -0.513 1
1 156 . 15 1 1 A 13 13 TYR CB C 13 42.982 41.327 1.655 1
1 167 . 15 1 1 A 13 13 TYR C C 13 173.600 175.592 -1.992 1
1 168 . 15 1 1 A 14 14 ASP N N 14 117.888 123.615 -5.727 1
1 169 . 15 1 1 A 14 14 ASP H H 14 8.328 8.672 -0.344 1
1 170 . 15 1 1 A 14 14 ASP CA C 14 54.527 54.895 -0.368 1
1 171 . 15 1 1 A 14 14 ASP HA H 14 4.615 4.609 0.006 1
1 172 . 15 1 1 A 14 14 ASP CB C 14 41.351 41.036 0.315 1
1 175 . 15 1 1 A 14 14 ASP C C 14 176.125 175.361 0.764 1
1 176 . 15 1 1 A 15 15 TYR N N 15 120.102 123.487 -3.385 1
1 177 . 15 1 1 A 15 15 TYR H H 15 8.733 8.803 -0.070 1
1 178 . 15 1 1 A 15 15 TYR CA C 15 59.669 56.712 2.957 1
1 179 . 15 1 1 A 15 15 TYR HA H 15 4.662 5.323 -0.661 1
1 180 . 15 1 1 A 15 15 TYR CB C 15 43.400 42.463 0.937 1
1 191 . 15 1 1 A 15 15 TYR C C 15 172.803 173.861 -1.058 1
1 192 . 15 1 1 A 16 16 GLN N N 16 126.945 123.989 2.956 1
1 193 . 15 1 1 A 16 16 GLN H H 16 7.546 7.806 -0.260 1
1 194 . 15 1 1 A 16 16 GLN CA C 16 53.820 54.261 -0.441 1
1 195 . 15 1 1 A 16 16 GLN HA H 16 4.500 5.021 -0.521 1
1 196 . 15 1 1 A 16 16 GLN CB C 16 29.378 30.695 -1.317 1
1 202 . 15 1 1 A 16 16 GLN C C 16 173.910 175.089 -1.179 1
1 203 . 15 1 1 A 17 17 GLU N N 17 123.035 125.266 -2.231 1
1 204 . 15 1 1 A 17 17 GLU H H 17 7.930 9.106 -1.176 1
1 205 . 15 1 1 A 17 17 GLU CA C 17 56.078 56.742 -0.664 1
1 206 . 15 1 1 A 17 17 GLU HA H 17 4.211 4.266 -0.055 1
1 207 . 15 1 1 A 17 17 GLU CB C 17 29.520 30.222 -0.702 1
1 213 . 15 1 1 A 17 17 GLU C C 17 175.926 177.083 -1.157 1
1 214 . 15 1 1 A 18 18 LYS N N 18 120.770 119.123 1.647 1
1 215 . 15 1 1 A 18 18 LYS H H 18 8.801 8.757 0.044 1
1 216 . 15 1 1 A 18 18 LYS CA C 18 55.164 55.782 -0.618 1
1 217 . 15 1 1 A 18 18 LYS HA H 18 4.424 4.656 -0.232 1
1 218 . 15 1 1 A 18 18 LYS CB C 18 33.328 33.679 -0.351 1
1 230 . 15 1 1 A 18 18 LYS C C 18 176.192 175.681 0.511 1
1 231 . 15 1 1 A 19 19 SER N N 19 114.841 111.229 3.612 1
1 232 . 15 1 1 A 19 19 SER H H 19 7.619 7.454 0.165 1
1 233 . 15 1 1 A 19 19 SER CA C 19 56.678 55.316 1.362 1
1 234 . 15 1 1 A 19 19 SER HA H 19 4.863 5.072 -0.209 1
1 235 . 15 1 1 A 19 19 SER CB C 19 64.060 65.514 -1.454 1
1 239 . 15 1 1 A 20 20 PRO CA C 20 64.803 64.398 0.405 1
1 240 . 15 1 1 A 20 20 PRO HA H 20 4.549 4.563 -0.014 1
1 241 . 15 1 1 A 20 20 PRO CB C 20 31.894 31.846 0.048 1
1 249 . 15 1 1 A 20 20 PRO C C 20 176.679 177.374 -0.695 1
1 250 . 15 1 1 A 21 21 ARG N N 21 113.864 116.056 -2.192 1
1 251 . 15 1 1 A 21 21 ARG H H 21 7.687 8.405 -0.718 1
1 252 . 15 1 1 A 21 21 ARG CA C 21 56.119 55.467 0.652 1
1 253 . 15 1 1 A 21 21 ARG HA H 21 4.598 4.587 0.011 1
1 254 . 15 1 1 A 21 21 ARG CB C 21 30.299 30.163 0.136 1
1 263 . 15 1 1 A 21 21 ARG C C 21 176.369 175.172 1.197 1
1 264 . 15 1 1 A 22 22 GLU N N 22 121.539 120.210 1.329 1
1 265 . 15 1 1 A 22 22 GLU H H 22 7.842 7.720 0.122 1
1 266 . 15 1 1 A 22 22 GLU CA C 22 54.951 54.858 0.093 1
1 267 . 15 1 1 A 22 22 GLU HA H 22 5.484 4.956 0.528 1
1 268 . 15 1 1 A 22 22 GLU CB C 22 33.535 32.738 0.797 1
1 274 . 15 1 1 A 22 22 GLU C C 22 174.375 174.591 -0.216 1
1 275 . 15 1 1 A 23 23 VAL N N 23 111.923 118.028 -6.105 1
1 276 . 15 1 1 A 23 23 VAL H H 23 7.373 8.845 -1.472 1
1 277 . 15 1 1 A 23 23 VAL CA C 23 59.570 59.194 0.376 1
1 278 . 15 1 1 A 23 23 VAL HA H 23 4.531 5.072 -0.541 1
1 279 . 15 1 1 A 23 23 VAL CB C 23 34.667 36.352 -1.685 1
1 289 . 15 1 1 A 23 23 VAL C C 23 172.625 174.829 -2.204 1
1 290 . 15 1 1 A 24 24 THR N N 24 117.656 116.300 1.356 1
1 291 . 15 1 1 A 24 24 THR H H 24 7.112 8.675 -1.563 1
1 292 . 15 1 1 A 24 24 THR CA C 24 61.994 61.438 0.556 1
1 293 . 15 1 1 A 24 24 THR HA H 24 5.119 5.275 -0.156 1
1 294 . 15 1 1 A 24 24 THR CB C 24 71.220 72.299 -1.079 1
1 300 . 15 1 1 A 24 24 THR C C 24 174.309 173.831 0.478 1
1 301 . 15 1 1 A 25 25 MET N N 25 122.056 122.994 -0.938 1
1 302 . 15 1 1 A 25 25 MET H H 25 9.515 9.403 0.112 1
1 303 . 15 1 1 A 25 25 MET CA C 25 54.247 53.154 1.093 1
1 304 . 15 1 1 A 25 25 MET HA H 25 4.935 5.307 -0.372 1
1 305 . 15 1 1 A 25 25 MET CB C 25 36.287 37.216 -0.929 1
1 312 . 15 1 1 A 25 25 MET C C 25 173.777 174.136 -0.359 1
1 313 . 15 1 1 A 26 26 LYS N N 26 124.668 118.157 6.511 1
1 314 . 15 1 1 A 26 26 LYS H H 26 8.949 8.653 0.296 1
1 315 . 15 1 1 A 26 26 LYS CA C 26 53.476 54.234 -0.758 1
1 316 . 15 1 1 A 26 26 LYS HA H 26 4.896 4.890 0.006 1
1 317 . 15 1 1 A 26 26 LYS CB C 26 34.097 35.300 -1.203 1
1 327 . 15 1 1 A 26 26 LYS C C 26 174.929 176.125 -1.196 1
1 328 . 15 1 1 A 27 27 LYS N N 27 122.567 121.687 0.880 1
1 329 . 15 1 1 A 27 27 LYS H H 27 9.061 8.424 0.637 1
1 330 . 15 1 1 A 27 27 LYS CA C 27 58.539 57.096 1.443 1
1 331 . 15 1 1 A 27 27 LYS HA H 27 4.656 4.045 0.611 1
1 332 . 15 1 1 A 27 27 LYS CB C 27 32.202 31.930 0.272 1
1 344 . 15 1 1 A 27 27 LYS C C 27 177.344 176.996 0.348 1
1 345 . 15 1 1 A 28 28 GLY N N 28 115.884 112.952 2.932 1
1 346 . 15 1 1 A 28 28 GLY H H 28 8.900 9.143 -0.243 1
1 347 . 15 1 1 A 28 28 GLY CA C 28 44.779 45.378 -0.599 1
1 348 . 15 1 1 A 28 28 GLY HA2 H 28 3.523 3.928 -0.405 1
1 349 . 15 1 1 A 28 28 GLY HA3 H 28 4.469 3.929 0.540 1
1 350 . 15 1 1 A 28 28 GLY C C 28 174.021 173.962 0.059 1
1 351 . 15 1 1 A 29 29 ASP N N 29 122.466 120.194 2.272 1
1 352 . 15 1 1 A 29 29 ASP H H 29 8.513 8.008 0.505 1
1 353 . 15 1 1 A 29 29 ASP CA C 29 55.711 53.836 1.875 1
1 354 . 15 1 1 A 29 29 ASP HA H 29 4.523 4.976 -0.453 1
1 355 . 15 1 1 A 29 29 ASP CB C 29 41.361 42.927 -1.566 1
1 358 . 15 1 1 A 29 29 ASP C C 29 174.331 174.827 -0.496 1
1 359 . 15 1 1 A 30 30 ILE N N 30 120.470 119.311 1.159 1
1 360 . 15 1 1 A 30 30 ILE H H 30 8.204 8.516 -0.312 1
1 361 . 15 1 1 A 30 30 ILE CA C 30 60.164 60.428 -0.264 1
1 362 . 15 1 1 A 30 30 ILE HA H 30 5.025 5.310 -0.285 1
1 363 . 15 1 1 A 30 30 ILE CB C 30 38.257 41.830 -3.573 1
1 372 . 15 1 1 A 30 30 ILE C C 30 176.236 174.862 1.374 1
1 373 . 15 1 1 A 31 31 LEU N N 31 128.265 126.417 1.848 1
1 374 . 15 1 1 A 31 31 LEU H H 31 9.353 8.949 0.404 1
1 375 . 15 1 1 A 31 31 LEU CA C 31 53.601 53.415 0.186 1
1 376 . 15 1 1 A 31 31 LEU HA H 31 4.998 5.070 -0.072 1
1 377 . 15 1 1 A 31 31 LEU CB C 31 43.893 45.041 -1.148 1
1 388 . 15 1 1 A 31 31 LEU C C 31 175.638 176.314 -0.676 1
1 389 . 15 1 1 A 32 32 THR N N 32 117.089 119.996 -2.907 1
1 390 . 15 1 1 A 32 32 THR H H 32 8.141 8.257 -0.116 1
1 391 . 15 1 1 A 32 32 THR CA C 32 63.263 63.226 0.037 1
1 392 . 15 1 1 A 32 32 THR HA H 32 4.619 4.470 0.149 1
1 393 . 15 1 1 A 32 32 THR CB C 32 69.867 68.919 0.948 1
1 399 . 15 1 1 A 32 32 THR C C 32 173.600 174.525 -0.925 1
1 400 . 15 1 1 A 33 33 LEU N N 33 129.212 129.048 0.164 1
1 401 . 15 1 1 A 33 33 LEU H H 33 9.070 8.550 0.520 1
1 402 . 15 1 1 A 33 33 LEU CA C 33 54.671 56.102 -1.431 1
1 403 . 15 1 1 A 33 33 LEU HA H 33 4.356 4.382 -0.026 1
1 404 . 15 1 1 A 33 33 LEU CB C 33 42.968 42.296 0.672 1
1 417 . 15 1 1 A 33 33 LEU C C 33 174.553 175.841 -1.288 1
1 418 . 15 1 1 A 34 34 LEU N N 34 125.880 128.204 -2.324 1
1 419 . 15 1 1 A 34 34 LEU H H 34 9.051 9.364 -0.313 1
1 420 . 15 1 1 A 34 34 LEU CA C 34 54.811 55.879 -1.068 1
1 421 . 15 1 1 A 34 34 LEU HA H 34 4.532 4.442 0.090 1
1 422 . 15 1 1 A 34 34 LEU CB C 34 42.977 42.997 -0.020 1
1 434 . 15 1 1 A 34 34 LEU C C 34 177.477 176.587 0.890 1
1 435 . 15 1 1 A 35 35 ASN N N 35 113.971 115.497 -1.526 1
1 436 . 15 1 1 A 35 35 ASN H H 35 7.600 7.771 -0.171 1
1 437 . 15 1 1 A 35 35 ASN CA C 35 54.543 52.886 1.657 1
1 438 . 15 1 1 A 35 35 ASN HA H 35 4.680 5.080 -0.400 1
1 439 . 15 1 1 A 35 35 ASN CB C 35 40.958 41.492 -0.534 1
1 443 . 15 1 1 A 35 35 ASN C C 35 174.375 174.051 0.324 1
1 444 . 15 1 1 A 36 36 SER N N 36 123.815 117.824 5.991 1
1 445 . 15 1 1 A 36 36 SER H H 36 9.194 8.537 0.657 1
1 446 . 15 1 1 A 36 36 SER CA C 36 56.692 56.397 0.295 1
1 447 . 15 1 1 A 36 36 SER HA H 36 3.921 4.858 -0.937 1
1 448 . 15 1 1 A 36 36 SER CB C 36 62.180 62.585 -0.405 1
1 451 . 15 1 1 A 36 36 SER C C 36 173.401 175.295 -1.894 1
1 452 . 15 1 1 A 37 37 THR N N 37 115.041 115.560 -0.519 1
1 453 . 15 1 1 A 37 37 THR H H 37 8.178 7.788 0.390 1
1 454 . 15 1 1 A 37 37 THR CA C 37 65.484 64.221 1.263 1
1 455 . 15 1 1 A 37 37 THR HA H 37 4.528 4.267 0.261 1
1 456 . 15 1 1 A 37 37 THR CB C 37 69.416 69.406 0.010 1
1 462 . 15 1 1 A 37 37 THR C C 37 175.261 175.157 0.104 1
1 463 . 15 1 1 A 38 38 ASN N N 38 122.494 119.536 2.958 1
1 464 . 15 1 1 A 38 38 ASN H H 38 8.674 7.982 0.692 1
1 465 . 15 1 1 A 38 38 ASN CA C 38 53.188 52.174 1.014 1
1 466 . 15 1 1 A 38 38 ASN HA H 38 4.863 5.010 -0.147 1
1 467 . 15 1 1 A 38 38 ASN CB C 38 40.525 40.852 -0.327 1
1 470 . 15 1 1 A 38 38 ASN C C 38 174.575 175.974 -1.399 1
1 471 . 15 1 1 A 39 39 LYS N N 39 120.915 121.649 -0.734 1
1 472 . 15 1 1 A 39 39 LYS H H 39 8.510 8.513 -0.003 1
1 473 . 15 1 1 A 39 39 LYS CA C 39 58.333 56.933 1.400 1
1 474 . 15 1 1 A 39 39 LYS HA H 39 4.247 4.920 -0.673 1
1 475 . 15 1 1 A 39 39 LYS CB C 39 32.520 34.535 -2.015 1
1 485 . 15 1 1 A 39 39 LYS C C 39 176.236 177.884 -1.648 1
1 486 . 15 1 1 A 40 40 ASP N N 40 114.628 118.117 -3.489 1
1 487 . 15 1 1 A 40 40 ASP H H 40 8.173 7.963 0.210 1
1 488 . 15 1 1 A 40 40 ASP CA C 40 55.380 56.101 -0.721 1
1 489 . 15 1 1 A 40 40 ASP HA H 40 4.544 4.241 0.303 1
1 490 . 15 1 1 A 40 40 ASP CB C 40 43.415 42.026 1.389 1
1 493 . 15 1 1 A 40 40 ASP C C 40 176.967 175.430 1.537 1
1 494 . 15 1 1 A 41 41 TRP N N 41 122.703 115.205 7.498 1
1 495 . 15 1 1 A 41 41 TRP H H 41 8.209 7.651 0.558 1
1 496 . 15 1 1 A 41 41 TRP CA C 41 56.184 56.010 0.174 1
1 497 . 15 1 1 A 41 41 TRP HA H 41 5.075 5.452 -0.377 1
1 498 . 15 1 1 A 41 41 TRP CB C 41 32.019 33.372 -1.353 1
1 513 . 15 1 1 A 41 41 TRP C C 41 174.176 175.504 -1.328 1
1 514 . 15 1 1 A 42 42 TRP N N 42 124.895 122.983 1.912 1
1 515 . 15 1 1 A 42 42 TRP H H 42 9.366 9.147 0.219 1
1 516 . 15 1 1 A 42 42 TRP CA C 42 54.076 55.661 -1.585 1
1 517 . 15 1 1 A 42 42 TRP HA H 42 5.523 5.364 0.159 1
1 518 . 15 1 1 A 42 42 TRP CB C 42 31.447 32.150 -0.703 1
1 533 . 15 1 1 A 42 42 TRP C C 42 174.109 175.457 -1.348 1
1 534 . 15 1 1 A 43 43 LYS N N 43 124.120 124.509 -0.389 1
1 535 . 15 1 1 A 43 43 LYS H H 43 8.883 9.257 -0.374 1
1 536 . 15 1 1 A 43 43 LYS CA C 43 55.158 55.857 -0.699 1
1 537 . 15 1 1 A 43 43 LYS HA H 43 4.368 4.628 -0.260 1
1 538 . 15 1 1 A 43 43 LYS CB C 43 33.794 32.979 0.815 1
1 550 . 15 1 1 A 43 43 LYS C C 43 175.416 176.139 -0.723 1
1 551 . 15 1 1 A 44 44 VAL N N 44 122.055 120.185 1.870 1
1 552 . 15 1 1 A 44 44 VAL H H 44 9.427 8.984 0.443 1
1 553 . 15 1 1 A 44 44 VAL CA C 44 58.825 58.711 0.114 1
1 554 . 15 1 1 A 44 44 VAL HA H 44 5.375 5.183 0.192 1
1 555 . 15 1 1 A 44 44 VAL CB C 44 36.593 35.621 0.972 1
1 565 . 15 1 1 A 44 44 VAL C C 44 173.223 173.397 -0.174 1
1 566 . 15 1 1 A 45 45 GLU N N 45 118.673 122.470 -3.797 1
1 567 . 15 1 1 A 45 45 GLU H H 45 8.733 8.998 -0.265 1
1 568 . 15 1 1 A 45 45 GLU CA C 45 54.249 54.831 -0.582 1
1 569 . 15 1 1 A 45 45 GLU HA H 45 5.432 5.349 0.083 1
1 570 . 15 1 1 A 45 45 GLU CB C 45 33.286 32.884 0.402 1
1 576 . 15 1 1 A 45 45 GLU C C 45 174.774 175.547 -0.773 1
1 577 . 15 1 1 A 46 46 VAL N N 46 123.551 120.718 2.833 1
1 578 . 15 1 1 A 46 46 VAL H H 46 9.058 9.351 -0.293 1
1 579 . 15 1 1 A 46 46 VAL CA C 46 59.627 59.209 0.418 1
1 580 . 15 1 1 A 46 46 VAL HA H 46 4.669 5.124 -0.455 1
1 581 . 15 1 1 A 46 46 VAL CB C 46 35.290 35.324 -0.034 1
1 590 . 15 1 1 A 46 46 VAL C C 46 173.534 174.591 -1.057 1
1 591 . 15 1 1 A 47 47 LYS N N 47 124.992 118.844 6.148 1
1 592 . 15 1 1 A 47 47 LYS H H 47 8.446 8.765 -0.319 1
1 593 . 15 1 1 A 47 47 LYS CA C 47 55.905 54.236 1.669 1
1 594 . 15 1 1 A 47 47 LYS HA H 47 4.763 5.002 -0.239 1
1 595 . 15 1 1 A 47 47 LYS CB C 47 33.450 36.126 -2.676 1
1 605 . 15 1 1 A 47 47 LYS C C 47 175.306 174.591 0.715 1
1 606 . 15 1 1 A 48 48 ALA N N 48 128.781 121.910 6.871 1
1 607 . 15 1 1 A 48 48 ALA H H 48 8.757 8.678 0.079 1
1 608 . 15 1 1 A 48 48 ALA CA C 48 50.828 50.118 0.710 1
1 609 . 15 1 1 A 48 48 ALA HA H 48 4.616 5.007 -0.391 1
1 613 . 15 1 1 A 48 48 ALA CB C 48 21.741 22.903 -1.162 1
1 614 . 15 1 1 A 48 48 ALA C C 48 175.173 175.427 -0.254 1
1 615 . 15 1 1 A 49 49 THR N N 49 113.585 115.865 -2.280 1
1 616 . 15 1 1 A 49 49 THR H H 49 8.333 8.457 -0.124 1
1 617 . 15 1 1 A 49 49 THR CA C 49 60.826 61.297 -0.471 1
1 618 . 15 1 1 A 49 49 THR HA H 49 5.257 5.418 -0.161 1
1 619 . 15 1 1 A 49 49 THR CB C 49 71.045 71.050 -0.005 1
1 624 . 15 1 1 A 49 49 THR C C 49 174.176 173.466 0.710 1
1 625 . 15 1 1 A 50 50 ALA N N 50 127.142 127.902 -0.760 1
1 626 . 15 1 1 A 50 50 ALA H H 50 8.914 8.918 -0.004 1
1 627 . 15 1 1 A 50 50 ALA CA C 50 52.345 51.280 1.065 1
1 628 . 15 1 1 A 50 50 ALA HA H 50 4.603 4.723 -0.120 1
1 632 . 15 1 1 A 50 50 ALA CB C 50 20.935 22.946 -2.011 1
1 633 . 15 1 1 A 50 50 ALA C C 50 177.299 175.874 1.425 1
1 634 . 15 1 1 A 51 51 ASN N N 51 121.555 120.850 0.705 1
1 635 . 15 1 1 A 51 51 ASN H H 51 9.491 9.322 0.169 1
1 636 . 15 1 1 A 51 51 ASN CA C 51 54.177 54.438 -0.261 1
1 637 . 15 1 1 A 51 51 ASN HA H 51 4.389 4.437 -0.048 1
1 638 . 15 1 1 A 51 51 ASN CB C 51 37.413 37.286 0.127 1
1 641 . 15 1 1 A 51 51 ASN C C 51 175.106 175.590 -0.484 1
1 642 . 15 1 1 A 52 52 GLY N N 52 103.942 104.354 -0.412 1
1 643 . 15 1 1 A 52 52 GLY H H 52 8.681 8.715 -0.034 1
1 644 . 15 1 1 A 52 52 GLY CA C 52 45.443 45.725 -0.282 1
1 645 . 15 1 1 A 52 52 GLY HA2 H 52 3.624 3.893 -0.269 1
1 646 . 15 1 1 A 52 52 GLY HA3 H 52 4.143 3.893 0.250 1
1 647 . 15 1 1 A 52 52 GLY C C 52 173.666 173.879 -0.213 1
1 648 . 15 1 1 A 53 53 LYS N N 53 121.213 120.360 0.853 1
1 649 . 15 1 1 A 53 53 LYS H H 53 7.893 7.954 -0.061 1
1 650 . 15 1 1 A 53 53 LYS CA C 53 54.807 54.871 -0.064 1
1 651 . 15 1 1 A 53 53 LYS HA H 53 4.727 4.950 -0.223 1
1 652 . 15 1 1 A 53 53 LYS CB C 53 34.737 36.062 -1.325 1
1 664 . 15 1 1 A 53 53 LYS C C 53 175.239 174.891 0.348 1
1 665 . 15 1 1 A 54 54 THR N N 54 118.501 115.037 3.464 1
1 666 . 15 1 1 A 54 54 THR H H 54 8.498 8.898 -0.400 1
1 667 . 15 1 1 A 54 54 THR CA C 54 61.925 60.715 1.210 1
1 668 . 15 1 1 A 54 54 THR HA H 54 5.117 5.801 -0.684 1
1 669 . 15 1 1 A 54 54 THR CB C 54 70.294 70.732 -0.438 1
1 675 . 15 1 1 A 54 54 THR C C 54 173.733 173.870 -0.137 1
1 676 . 15 1 1 A 55 55 TYR N N 55 125.105 119.395 5.710 1
1 677 . 15 1 1 A 55 55 TYR H H 55 9.122 9.096 0.026 1
1 678 . 15 1 1 A 55 55 TYR CA C 55 56.149 55.154 0.995 1
1 679 . 15 1 1 A 55 55 TYR HA H 55 4.857 5.701 -0.844 1
1 680 . 15 1 1 A 55 55 TYR CB C 55 40.090 42.267 -2.177 1
1 691 . 15 1 1 A 55 55 TYR C C 55 172.847 173.633 -0.786 1
1 692 . 15 1 1 A 56 56 GLU N N 56 119.744 120.655 -0.911 1
1 693 . 15 1 1 A 56 56 GLU H H 56 8.503 8.971 -0.468 1
1 694 . 15 1 1 A 56 56 GLU CA C 56 54.739 55.030 -0.291 1
1 695 . 15 1 1 A 56 56 GLU HA H 56 5.030 5.412 -0.382 1
1 696 . 15 1 1 A 56 56 GLU CB C 56 30.297 32.801 -2.504 1
1 701 . 15 1 1 A 56 56 GLU C C 56 175.394 176.056 -0.662 1
1 702 . 15 1 1 A 57 57 ARG N N 57 123.665 119.440 4.225 1
1 703 . 15 1 1 A 57 57 ARG H H 57 8.897 8.990 -0.093 1
1 704 . 15 1 1 A 57 57 ARG CA C 57 54.944 54.418 0.526 1
1 705 . 15 1 1 A 57 57 ARG HA H 57 4.663 5.126 -0.463 1
1 706 . 15 1 1 A 57 57 ARG CB C 57 33.471 33.858 -0.387 1
1 713 . 15 1 1 A 57 57 ARG C C 57 174.198 174.227 -0.029 1
1 714 . 15 1 1 A 58 58 GLN N N 58 119.967 121.350 -1.383 1
1 715 . 15 1 1 A 58 58 GLN H H 58 8.604 8.562 0.042 1
1 716 . 15 1 1 A 58 58 GLN CA C 58 53.394 54.433 -1.039 1
1 717 . 15 1 1 A 58 58 GLN HA H 58 5.602 5.168 0.434 1
1 718 . 15 1 1 A 58 58 GLN CB C 58 31.229 31.077 0.152 1
1 724 . 15 1 1 A 58 58 GLN C C 58 175.771 176.079 -0.308 1
1 725 . 15 1 1 A 59 59 GLY N N 59 107.507 108.808 -1.301 1
1 726 . 15 1 1 A 59 59 GLY H H 59 8.652 8.807 -0.155 1
1 727 . 15 1 1 A 59 59 GLY CA C 59 45.583 45.840 -0.257 1
1 728 . 15 1 1 A 59 59 GLY HA2 H 59 3.947 4.372 -0.425 1
1 729 . 15 1 1 A 59 59 GLY HA3 H 59 3.947 4.406 -0.459 1
1 730 . 15 1 1 A 59 59 GLY C C 59 170.255 171.724 -1.469 1
1 731 . 15 1 1 A 60 60 PHE N N 60 119.079 119.271 -0.192 1
1 732 . 15 1 1 A 60 60 PHE H H 60 9.153 8.777 0.376 1
1 733 . 15 1 1 A 60 60 PHE CA C 60 58.544 56.659 1.885 1
1 734 . 15 1 1 A 60 60 PHE HA H 60 5.666 5.809 -0.143 1
1 735 . 15 1 1 A 60 60 PHE CB C 60 42.484 42.417 0.067 1
1 748 . 15 1 1 A 60 60 PHE C C 60 175.461 175.433 0.028 1
1 749 . 15 1 1 A 61 61 VAL N N 61 110.995 116.786 -5.791 1
1 750 . 15 1 1 A 61 61 VAL H H 61 9.065 9.173 -0.108 1
1 751 . 15 1 1 A 61 61 VAL CA C 61 58.189 58.164 0.025 1
1 752 . 15 1 1 A 61 61 VAL HA H 61 4.823 4.970 -0.147 1
1 753 . 15 1 1 A 61 61 VAL CB C 61 33.521 34.381 -0.860 1
1 764 . 15 1 1 A 62 62 PRO CA C 62 61.852 61.876 -0.024 1
1 765 . 15 1 1 A 62 62 PRO HA H 62 3.556 3.657 -0.101 1
1 766 . 15 1 1 A 62 62 PRO CB C 62 29.777 30.773 -0.996 1
1 774 . 15 1 1 A 62 62 PRO C C 62 177.787 177.306 0.481 1
1 775 . 15 1 1 A 63 63 ALA N N 63 129.142 127.666 1.476 1
1 776 . 15 1 1 A 63 63 ALA H H 63 7.477 7.988 -0.511 1
1 777 . 15 1 1 A 63 63 ALA CA C 63 54.472 53.467 1.005 1
1 778 . 15 1 1 A 63 63 ALA HA H 63 2.652 2.951 -0.299 1
1 782 . 15 1 1 A 63 63 ALA CB C 63 15.666 17.125 -1.459 1
1 783 . 15 1 1 A 63 63 ALA C C 63 178.429 178.361 0.068 1
1 784 . 15 1 1 A 64 64 ALA N N 64 113.522 119.074 -5.552 1
1 785 . 15 1 1 A 64 64 ALA H H 64 7.867 7.050 0.817 1
1 786 . 15 1 1 A 64 64 ALA CA C 64 52.768 54.017 -1.249 1
1 787 . 15 1 1 A 64 64 ALA HA H 64 4.006 3.885 0.121 1
1 791 . 15 1 1 A 64 64 ALA CB C 64 17.629 17.857 -0.228 1
1 792 . 15 1 1 A 64 64 ALA C C 64 178.097 178.172 -0.075 1
1 793 . 15 1 1 A 65 65 TYR N N 65 116.109 116.260 -0.151 1
1 794 . 15 1 1 A 65 65 TYR H H 65 7.698 7.610 0.088 1
1 795 . 15 1 1 A 65 65 TYR CA C 65 56.328 58.840 -2.512 1
1 796 . 15 1 1 A 65 65 TYR HA H 65 4.758 4.837 -0.079 1
1 797 . 15 1 1 A 65 65 TYR CB C 65 37.765 40.383 -2.618 1
1 808 . 15 1 1 A 65 65 TYR C C 65 174.375 175.738 -1.363 1
1 809 . 15 1 1 A 66 66 VAL N N 66 111.053 114.846 -3.793 1
1 810 . 15 1 1 A 66 66 VAL H H 66 7.415 7.225 0.190 1
1 811 . 15 1 1 A 66 66 VAL CA C 66 58.119 59.605 -1.486 1
1 812 . 15 1 1 A 66 66 VAL HA H 66 5.538 5.182 0.356 1
1 813 . 15 1 1 A 66 66 VAL CB C 66 35.809 34.581 1.228 1
1 823 . 15 1 1 A 66 66 VAL C C 66 173.511 174.138 -0.627 1
1 824 . 15 1 1 A 67 67 LYS N N 67 118.588 123.692 -5.104 1
1 825 . 15 1 1 A 67 67 LYS H H 67 8.631 9.017 -0.386 1
1 826 . 15 1 1 A 67 67 LYS CA C 67 54.035 54.590 -0.555 1
1 827 . 15 1 1 A 67 67 LYS HA H 67 4.830 5.524 -0.694 1
1 828 . 15 1 1 A 67 67 LYS CB C 67 36.779 36.068 0.711 1
1 838 . 15 1 1 A 67 67 LYS C C 67 175.992 176.266 -0.274 1
1 839 . 15 1 1 A 68 68 LYS N N 68 125.838 122.363 3.475 1
1 840 . 15 1 1 A 68 68 LYS H H 68 9.227 8.367 0.860 1
1 841 . 15 1 1 A 68 68 LYS CA C 68 58.335 56.440 1.895 1
1 842 . 15 1 1 A 68 68 LYS HA H 68 4.494 4.145 0.349 1
1 843 . 15 1 1 A 68 68 LYS CB C 68 32.893 32.624 0.269 1
1 853 . 15 1 1 A 68 68 LYS C C 68 176.657 176.583 0.074 1
1 854 . 15 1 1 A 69 69 LEU N N 69 125.443 122.660 2.783 1
1 855 . 15 1 1 A 69 69 LEU H H 69 8.449 8.568 -0.119 1
1 856 . 15 1 1 A 69 69 LEU CA C 69 54.873 53.444 1.429 1
1 857 . 15 1 1 A 69 69 LEU HA H 69 4.437 4.785 -0.348 1
1 858 . 15 1 1 A 69 69 LEU CB C 69 42.345 42.618 -0.273 1
1 871 . 15 1 1 A 69 69 LEU C C 69 176.147 175.541 0.606 1
1 10 . 16 1 1 A 2 2 ASP N N 2 123.485 115.381 8.104 1
1 11 . 16 1 1 A 2 2 ASP H H 2 8.809 7.865 0.944 1
1 12 . 16 1 1 A 2 2 ASP CA C 2 54.244 52.675 1.569 1
1 13 . 16 1 1 A 2 2 ASP HA H 2 4.673 4.743 -0.070 1
1 14 . 16 1 1 A 2 2 ASP CB C 2 40.452 40.065 0.387 1
1 17 . 16 1 1 A 2 2 ASP C C 2 175.771 175.498 0.273 1
1 18 . 16 1 1 A 3 3 GLU N N 3 121.725 114.154 7.571 1
1 19 . 16 1 1 A 3 3 GLU H H 3 8.684 8.030 0.654 1
1 20 . 16 1 1 A 3 3 GLU CA C 3 56.162 57.554 -1.392 1
1 21 . 16 1 1 A 3 3 GLU HA H 3 4.392 3.871 0.521 1
1 22 . 16 1 1 A 3 3 GLU CB C 3 29.170 27.057 2.113 1
1 28 . 16 1 1 A 3 3 GLU C C 3 176.546 174.872 1.674 1
1 29 . 16 1 1 A 4 4 THR N N 4 114.384 112.625 1.759 1
1 30 . 16 1 1 A 4 4 THR H H 4 8.303 7.726 0.577 1
1 31 . 16 1 1 A 4 4 THR CA C 4 62.347 61.730 0.617 1
1 32 . 16 1 1 A 4 4 THR HA H 4 4.278 4.590 -0.312 1
1 33 . 16 1 1 A 4 4 THR CB C 4 69.672 70.994 -1.322 1
1 39 . 16 1 1 A 4 4 THR C C 4 175.306 172.190 3.116 1
1 40 . 16 1 1 A 5 5 GLY N N 5 111.296 114.567 -3.271 1
1 41 . 16 1 1 A 5 5 GLY H H 5 8.422 8.512 -0.090 1
1 42 . 16 1 1 A 5 5 GLY CA C 5 45.302 45.676 -0.374 1
1 43 . 16 1 1 A 5 5 GLY HA2 H 5 3.928 4.188 -0.260 1
1 44 . 16 1 1 A 5 5 GLY HA3 H 5 3.928 4.188 -0.260 1
1 45 . 16 1 1 A 5 5 GLY C C 5 173.689 175.183 -1.494 1
1 46 . 16 1 1 A 6 6 LYS N N 6 119.850 118.323 1.527 1
1 47 . 16 1 1 A 6 6 LYS H H 6 8.008 7.895 0.113 1
1 48 . 16 1 1 A 6 6 LYS CA C 6 55.401 58.250 -2.849 1
1 49 . 16 1 1 A 6 6 LYS HA H 6 4.381 4.241 0.140 1
1 50 . 16 1 1 A 6 6 LYS CB C 6 33.225 33.308 -0.083 1
1 62 . 16 1 1 A 6 6 LYS C C 6 175.948 177.595 -1.647 1
1 63 . 16 1 1 A 7 7 GLU N N 7 122.488 114.205 8.283 1
1 64 . 16 1 1 A 7 7 GLU H H 7 8.577 7.863 0.714 1
1 65 . 16 1 1 A 7 7 GLU CA C 7 55.690 55.145 0.545 1
1 66 . 16 1 1 A 7 7 GLU HA H 7 4.495 4.741 -0.246 1
1 67 . 16 1 1 A 7 7 GLU CB C 7 30.382 29.524 0.858 1
1 73 . 16 1 1 A 7 7 GLU C C 7 174.109 176.142 -2.033 1
1 74 . 16 1 1 A 8 8 LEU N N 8 123.063 123.980 -0.917 1
1 75 . 16 1 1 A 8 8 LEU H H 8 8.485 8.220 0.265 1
1 76 . 16 1 1 A 8 8 LEU CA C 8 53.331 55.056 -1.725 1
1 77 . 16 1 1 A 8 8 LEU HA H 8 5.381 4.428 0.953 1
1 78 . 16 1 1 A 8 8 LEU CB C 8 45.077 42.126 2.951 1
1 91 . 16 1 1 A 8 8 LEU C C 8 177.344 176.531 0.813 1
1 92 . 16 1 1 A 9 9 VAL N N 9 111.683 119.369 -7.686 1
1 93 . 16 1 1 A 9 9 VAL H H 9 9.111 9.457 -0.346 1
1 94 . 16 1 1 A 9 9 VAL CA C 9 57.854 59.401 -1.547 1
1 95 . 16 1 1 A 9 9 VAL HA H 9 5.214 5.120 0.094 1
1 96 . 16 1 1 A 9 9 VAL CB C 9 35.864 34.704 1.160 1
1 106 . 16 1 1 A 9 9 VAL C C 9 172.404 174.281 -1.877 1
1 107 . 16 1 1 A 10 10 LEU N N 10 123.366 127.102 -3.736 1
1 108 . 16 1 1 A 10 10 LEU H H 10 8.971 8.900 0.071 1
1 109 . 16 1 1 A 10 10 LEU CA C 10 52.445 53.799 -1.354 1
1 110 . 16 1 1 A 10 10 LEU HA H 10 5.100 4.954 0.146 1
1 111 . 16 1 1 A 10 10 LEU CB C 10 46.711 44.430 2.281 1
1 124 . 16 1 1 A 10 10 LEU C C 10 176.568 175.706 0.862 1
1 125 . 16 1 1 A 11 11 ALA N N 11 127.241 129.037 -1.796 1
1 126 . 16 1 1 A 11 11 ALA H H 11 9.160 9.167 -0.007 1
1 127 . 16 1 1 A 11 11 ALA CA C 11 52.416 51.574 0.842 1
1 128 . 16 1 1 A 11 11 ALA HA H 11 4.610 4.593 0.017 1
1 132 . 16 1 1 A 11 11 ALA CB C 11 19.051 18.725 0.326 1
1 133 . 16 1 1 A 11 11 ALA C C 11 178.252 177.889 0.363 1
1 134 . 16 1 1 A 12 12 LEU N N 12 127.842 126.940 0.902 1
1 135 . 16 1 1 A 12 12 LEU H H 12 9.257 8.695 0.562 1
1 136 . 16 1 1 A 12 12 LEU CA C 12 55.585 57.104 -1.519 1
1 137 . 16 1 1 A 12 12 LEU HA H 12 3.884 4.046 -0.162 1
1 138 . 16 1 1 A 12 12 LEU CB C 12 43.192 42.639 0.553 1
1 151 . 16 1 1 A 12 12 LEU C C 12 174.951 176.473 -1.522 1
1 152 . 16 1 1 A 13 13 TYR N N 13 111.673 115.121 -3.448 1
1 153 . 16 1 1 A 13 13 TYR H H 13 7.129 7.536 -0.407 1
1 154 . 16 1 1 A 13 13 TYR CA C 13 54.530 56.581 -2.051 1
1 155 . 16 1 1 A 13 13 TYR HA H 13 4.617 4.980 -0.363 1
1 156 . 16 1 1 A 13 13 TYR CB C 13 42.982 42.438 0.544 1
1 167 . 16 1 1 A 13 13 TYR C C 13 173.600 174.704 -1.104 1
1 168 . 16 1 1 A 14 14 ASP N N 14 117.888 119.028 -1.140 1
1 169 . 16 1 1 A 14 14 ASP H H 14 8.328 8.692 -0.364 1
1 170 . 16 1 1 A 14 14 ASP CA C 14 54.527 52.842 1.685 1
1 171 . 16 1 1 A 14 14 ASP HA H 14 4.615 5.659 -1.044 1
1 172 . 16 1 1 A 14 14 ASP CB C 14 41.351 43.004 -1.653 1
1 175 . 16 1 1 A 14 14 ASP C C 14 176.125 174.316 1.809 1
1 176 . 16 1 1 A 15 15 TYR N N 15 120.102 122.125 -2.023 1
1 177 . 16 1 1 A 15 15 TYR H H 15 8.733 8.824 -0.091 1
1 178 . 16 1 1 A 15 15 TYR CA C 15 59.669 57.031 2.638 1
1 179 . 16 1 1 A 15 15 TYR HA H 15 4.662 5.170 -0.508 1
1 180 . 16 1 1 A 15 15 TYR CB C 15 43.400 42.093 1.307 1
1 191 . 16 1 1 A 15 15 TYR C C 15 172.803 173.733 -0.930 1
1 192 . 16 1 1 A 16 16 GLN N N 16 126.945 121.687 5.258 1
1 193 . 16 1 1 A 16 16 GLN H H 16 7.546 7.858 -0.312 1
1 194 . 16 1 1 A 16 16 GLN CA C 16 53.820 54.534 -0.714 1
1 195 . 16 1 1 A 16 16 GLN HA H 16 4.500 4.932 -0.432 1
1 196 . 16 1 1 A 16 16 GLN CB C 16 29.378 30.104 -0.726 1
1 202 . 16 1 1 A 16 16 GLN C C 16 173.910 174.881 -0.971 1
1 203 . 16 1 1 A 17 17 GLU N N 17 123.035 125.433 -2.398 1
1 204 . 16 1 1 A 17 17 GLU H H 17 7.930 8.874 -0.944 1
1 205 . 16 1 1 A 17 17 GLU CA C 17 56.078 56.799 -0.721 1
1 206 . 16 1 1 A 17 17 GLU HA H 17 4.211 4.236 -0.025 1
1 207 . 16 1 1 A 17 17 GLU CB C 17 29.520 30.273 -0.753 1
1 213 . 16 1 1 A 17 17 GLU C C 17 175.926 177.074 -1.148 1
1 214 . 16 1 1 A 18 18 LYS N N 18 120.770 119.699 1.071 1
1 215 . 16 1 1 A 18 18 LYS H H 18 8.801 8.818 -0.017 1
1 216 . 16 1 1 A 18 18 LYS CA C 18 55.164 56.173 -1.009 1
1 217 . 16 1 1 A 18 18 LYS HA H 18 4.424 4.638 -0.214 1
1 218 . 16 1 1 A 18 18 LYS CB C 18 33.328 34.028 -0.700 1
1 230 . 16 1 1 A 18 18 LYS C C 18 176.192 175.582 0.610 1
1 231 . 16 1 1 A 19 19 SER N N 19 114.841 111.921 2.920 1
1 232 . 16 1 1 A 19 19 SER H H 19 7.619 7.547 0.072 1
1 233 . 16 1 1 A 19 19 SER CA C 19 56.678 55.305 1.373 1
1 234 . 16 1 1 A 19 19 SER HA H 19 4.863 5.072 -0.209 1
1 235 . 16 1 1 A 19 19 SER CB C 19 64.060 65.591 -1.531 1
1 239 . 16 1 1 A 20 20 PRO CA C 20 64.803 64.442 0.361 1
1 240 . 16 1 1 A 20 20 PRO HA H 20 4.549 4.527 0.022 1
1 241 . 16 1 1 A 20 20 PRO CB C 20 31.894 31.795 0.099 1
1 249 . 16 1 1 A 20 20 PRO C C 20 176.679 177.970 -1.291 1
1 250 . 16 1 1 A 21 21 ARG N N 21 113.864 117.394 -3.530 1
1 251 . 16 1 1 A 21 21 ARG H H 21 7.687 8.133 -0.446 1
1 252 . 16 1 1 A 21 21 ARG CA C 21 56.119 58.577 -2.458 1
1 253 . 16 1 1 A 21 21 ARG HA H 21 4.598 4.289 0.309 1
1 254 . 16 1 1 A 21 21 ARG CB C 21 30.299 30.822 -0.523 1
1 263 . 16 1 1 A 21 21 ARG C C 21 176.369 177.229 -0.860 1
1 264 . 16 1 1 A 22 22 GLU N N 22 121.539 119.528 2.011 1
1 265 . 16 1 1 A 22 22 GLU H H 22 7.842 7.558 0.284 1
1 266 . 16 1 1 A 22 22 GLU CA C 22 54.951 56.375 -1.424 1
1 267 . 16 1 1 A 22 22 GLU HA H 22 5.484 4.665 0.819 1
1 268 . 16 1 1 A 22 22 GLU CB C 22 33.535 31.015 2.520 1
1 274 . 16 1 1 A 22 22 GLU C C 22 174.375 175.891 -1.516 1
1 275 . 16 1 1 A 23 23 VAL N N 23 111.923 119.175 -7.252 1
1 276 . 16 1 1 A 23 23 VAL H H 23 7.373 8.440 -1.067 1
1 277 . 16 1 1 A 23 23 VAL CA C 23 59.570 59.995 -0.425 1
1 278 . 16 1 1 A 23 23 VAL HA H 23 4.531 5.175 -0.644 1
1 279 . 16 1 1 A 23 23 VAL CB C 23 34.667 35.782 -1.115 1
1 289 . 16 1 1 A 23 23 VAL C C 23 172.625 173.935 -1.310 1
1 290 . 16 1 1 A 24 24 THR N N 24 117.656 115.538 2.118 1
1 291 . 16 1 1 A 24 24 THR H H 24 7.112 8.817 -1.705 1
1 292 . 16 1 1 A 24 24 THR CA C 24 61.994 60.649 1.345 1
1 293 . 16 1 1 A 24 24 THR HA H 24 5.119 5.117 0.002 1
1 294 . 16 1 1 A 24 24 THR CB C 24 71.220 70.354 0.866 1
1 300 . 16 1 1 A 24 24 THR C C 24 174.309 172.356 1.953 1
1 301 . 16 1 1 A 25 25 MET N N 25 122.056 120.728 1.328 1
1 302 . 16 1 1 A 25 25 MET H H 25 9.515 8.848 0.667 1
1 303 . 16 1 1 A 25 25 MET CA C 25 54.247 54.156 0.091 1
1 304 . 16 1 1 A 25 25 MET HA H 25 4.935 5.066 -0.131 1
1 305 . 16 1 1 A 25 25 MET CB C 25 36.287 35.757 0.530 1
1 312 . 16 1 1 A 25 25 MET C C 25 173.777 173.577 0.200 1
1 313 . 16 1 1 A 26 26 LYS N N 26 124.668 118.481 6.187 1
1 314 . 16 1 1 A 26 26 LYS H H 26 8.949 8.375 0.574 1
1 315 . 16 1 1 A 26 26 LYS CA C 26 53.476 53.950 -0.474 1
1 316 . 16 1 1 A 26 26 LYS HA H 26 4.896 4.921 -0.025 1
1 317 . 16 1 1 A 26 26 LYS CB C 26 34.097 35.988 -1.891 1
1 327 . 16 1 1 A 26 26 LYS C C 26 174.929 176.348 -1.419 1
1 328 . 16 1 1 A 27 27 LYS N N 27 122.567 121.382 1.185 1
1 329 . 16 1 1 A 27 27 LYS H H 27 9.061 8.378 0.683 1
1 330 . 16 1 1 A 27 27 LYS CA C 27 58.539 56.964 1.575 1
1 331 . 16 1 1 A 27 27 LYS HA H 27 4.656 4.371 0.285 1
1 332 . 16 1 1 A 27 27 LYS CB C 27 32.202 32.006 0.196 1
1 344 . 16 1 1 A 27 27 LYS C C 27 177.344 176.833 0.511 1
1 345 . 16 1 1 A 28 28 GLY N N 28 115.884 112.635 3.249 1
1 346 . 16 1 1 A 28 28 GLY H H 28 8.900 9.123 -0.223 1
1 347 . 16 1 1 A 28 28 GLY CA C 28 44.779 44.911 -0.132 1
1 348 . 16 1 1 A 28 28 GLY HA2 H 28 3.523 3.948 -0.425 1
1 349 . 16 1 1 A 28 28 GLY HA3 H 28 4.469 3.950 0.519 1
1 350 . 16 1 1 A 28 28 GLY C C 28 174.021 174.421 -0.400 1
1 351 . 16 1 1 A 29 29 ASP N N 29 122.466 120.735 1.731 1
1 352 . 16 1 1 A 29 29 ASP H H 29 8.513 8.155 0.358 1
1 353 . 16 1 1 A 29 29 ASP CA C 29 55.711 54.351 1.360 1
1 354 . 16 1 1 A 29 29 ASP HA H 29 4.523 4.778 -0.255 1
1 355 . 16 1 1 A 29 29 ASP CB C 29 41.361 42.268 -0.907 1
1 358 . 16 1 1 A 29 29 ASP C C 29 174.331 174.569 -0.238 1
1 359 . 16 1 1 A 30 30 ILE N N 30 120.470 119.687 0.783 1
1 360 . 16 1 1 A 30 30 ILE H H 30 8.204 8.336 -0.132 1
1 361 . 16 1 1 A 30 30 ILE CA C 30 60.164 60.628 -0.464 1
1 362 . 16 1 1 A 30 30 ILE HA H 30 5.025 5.294 -0.269 1
1 363 . 16 1 1 A 30 30 ILE CB C 30 38.257 41.170 -2.913 1
1 372 . 16 1 1 A 30 30 ILE C C 30 176.236 174.653 1.583 1
1 373 . 16 1 1 A 31 31 LEU N N 31 128.265 127.150 1.115 1
1 374 . 16 1 1 A 31 31 LEU H H 31 9.353 8.918 0.435 1
1 375 . 16 1 1 A 31 31 LEU CA C 31 53.601 53.665 -0.064 1
1 376 . 16 1 1 A 31 31 LEU HA H 31 4.998 5.177 -0.179 1
1 377 . 16 1 1 A 31 31 LEU CB C 31 43.893 45.273 -1.380 1
1 388 . 16 1 1 A 31 31 LEU C C 31 175.638 176.145 -0.507 1
1 389 . 16 1 1 A 32 32 THR N N 32 117.089 119.976 -2.887 1
1 390 . 16 1 1 A 32 32 THR H H 32 8.141 8.724 -0.583 1
1 391 . 16 1 1 A 32 32 THR CA C 32 63.263 63.384 -0.121 1
1 392 . 16 1 1 A 32 32 THR HA H 32 4.619 4.408 0.211 1
1 393 . 16 1 1 A 32 32 THR CB C 32 69.867 68.934 0.933 1
1 399 . 16 1 1 A 32 32 THR C C 32 173.600 174.139 -0.539 1
1 400 . 16 1 1 A 33 33 LEU N N 33 129.212 128.154 1.058 1
1 401 . 16 1 1 A 33 33 LEU H H 33 9.070 8.545 0.525 1
1 402 . 16 1 1 A 33 33 LEU CA C 33 54.671 55.990 -1.319 1
1 403 . 16 1 1 A 33 33 LEU HA H 33 4.356 4.356 0.000 1
1 404 . 16 1 1 A 33 33 LEU CB C 33 42.968 42.392 0.576 1
1 417 . 16 1 1 A 33 33 LEU C C 33 174.553 176.043 -1.490 1
1 418 . 16 1 1 A 34 34 LEU N N 34 125.880 127.800 -1.920 1
1 419 . 16 1 1 A 34 34 LEU H H 34 9.051 9.458 -0.407 1
1 420 . 16 1 1 A 34 34 LEU CA C 34 54.811 56.009 -1.198 1
1 421 . 16 1 1 A 34 34 LEU HA H 34 4.532 4.389 0.143 1
1 422 . 16 1 1 A 34 34 LEU CB C 34 42.977 42.736 0.241 1
1 434 . 16 1 1 A 34 34 LEU C C 34 177.477 177.160 0.317 1
1 435 . 16 1 1 A 35 35 ASN N N 35 113.971 116.109 -2.138 1
1 436 . 16 1 1 A 35 35 ASN H H 35 7.600 7.772 -0.172 1
1 437 . 16 1 1 A 35 35 ASN CA C 35 54.543 52.868 1.675 1
1 438 . 16 1 1 A 35 35 ASN HA H 35 4.680 5.152 -0.472 1
1 439 . 16 1 1 A 35 35 ASN CB C 35 40.958 40.794 0.164 1
1 443 . 16 1 1 A 35 35 ASN C C 35 174.375 173.932 0.443 1
1 444 . 16 1 1 A 36 36 SER N N 36 123.815 118.492 5.323 1
1 445 . 16 1 1 A 36 36 SER H H 36 9.194 8.503 0.691 1
1 446 . 16 1 1 A 36 36 SER CA C 36 56.692 56.396 0.296 1
1 447 . 16 1 1 A 36 36 SER HA H 36 3.921 4.868 -0.947 1
1 448 . 16 1 1 A 36 36 SER CB C 36 62.180 62.437 -0.257 1
1 451 . 16 1 1 A 36 36 SER C C 36 173.401 175.304 -1.903 1
1 452 . 16 1 1 A 37 37 THR N N 37 115.041 115.544 -0.503 1
1 453 . 16 1 1 A 37 37 THR H H 37 8.178 7.824 0.354 1
1 454 . 16 1 1 A 37 37 THR CA C 37 65.484 64.393 1.091 1
1 455 . 16 1 1 A 37 37 THR HA H 37 4.528 4.251 0.277 1
1 456 . 16 1 1 A 37 37 THR CB C 37 69.416 69.367 0.049 1
1 462 . 16 1 1 A 37 37 THR C C 37 175.261 175.354 -0.093 1
1 463 . 16 1 1 A 38 38 ASN N N 38 122.494 119.692 2.802 1
1 464 . 16 1 1 A 38 38 ASN H H 38 8.674 8.030 0.644 1
1 465 . 16 1 1 A 38 38 ASN CA C 38 53.188 53.387 -0.199 1
1 466 . 16 1 1 A 38 38 ASN HA H 38 4.863 4.811 0.052 1
1 467 . 16 1 1 A 38 38 ASN CB C 38 40.525 39.942 0.583 1
1 470 . 16 1 1 A 38 38 ASN C C 38 174.575 176.236 -1.661 1
1 471 . 16 1 1 A 39 39 LYS N N 39 120.915 121.462 -0.547 1
1 472 . 16 1 1 A 39 39 LYS H H 39 8.510 8.613 -0.103 1
1 473 . 16 1 1 A 39 39 LYS CA C 39 58.333 55.904 2.429 1
1 474 . 16 1 1 A 39 39 LYS HA H 39 4.247 4.859 -0.612 1
1 475 . 16 1 1 A 39 39 LYS CB C 39 32.520 32.813 -0.293 1
1 485 . 16 1 1 A 39 39 LYS C C 39 176.236 176.030 0.206 1
1 486 . 16 1 1 A 40 40 ASP N N 40 114.628 117.194 -2.566 1
1 487 . 16 1 1 A 40 40 ASP H H 40 8.173 8.122 0.051 1
1 488 . 16 1 1 A 40 40 ASP CA C 40 55.380 54.831 0.549 1
1 489 . 16 1 1 A 40 40 ASP HA H 40 4.544 4.599 -0.055 1
1 490 . 16 1 1 A 40 40 ASP CB C 40 43.415 43.660 -0.245 1
1 493 . 16 1 1 A 40 40 ASP C C 40 176.967 174.940 2.027 1
1 494 . 16 1 1 A 41 41 TRP N N 41 122.703 116.017 6.686 1
1 495 . 16 1 1 A 41 41 TRP H H 41 8.209 7.601 0.608 1
1 496 . 16 1 1 A 41 41 TRP CA C 41 56.184 55.327 0.857 1
1 497 . 16 1 1 A 41 41 TRP HA H 41 5.075 5.204 -0.129 1
1 498 . 16 1 1 A 41 41 TRP CB C 41 32.019 32.640 -0.621 1
1 513 . 16 1 1 A 41 41 TRP C C 41 174.176 175.706 -1.530 1
1 514 . 16 1 1 A 42 42 TRP N N 42 124.895 123.581 1.314 1
1 515 . 16 1 1 A 42 42 TRP H H 42 9.366 8.993 0.373 1
1 516 . 16 1 1 A 42 42 TRP CA C 42 54.076 55.644 -1.568 1
1 517 . 16 1 1 A 42 42 TRP HA H 42 5.523 5.519 0.004 1
1 518 . 16 1 1 A 42 42 TRP CB C 42 31.447 32.366 -0.919 1
1 533 . 16 1 1 A 42 42 TRP C C 42 174.109 175.277 -1.168 1
1 534 . 16 1 1 A 43 43 LYS N N 43 124.120 124.168 -0.048 1
1 535 . 16 1 1 A 43 43 LYS H H 43 8.883 9.161 -0.278 1
1 536 . 16 1 1 A 43 43 LYS CA C 43 55.158 55.256 -0.098 1
1 537 . 16 1 1 A 43 43 LYS HA H 43 4.368 4.977 -0.609 1
1 538 . 16 1 1 A 43 43 LYS CB C 43 33.794 33.731 0.063 1
1 550 . 16 1 1 A 43 43 LYS C C 43 175.416 176.004 -0.588 1
1 551 . 16 1 1 A 44 44 VAL N N 44 122.055 120.713 1.342 1
1 552 . 16 1 1 A 44 44 VAL H H 44 9.427 9.147 0.280 1
1 553 . 16 1 1 A 44 44 VAL CA C 44 58.825 58.934 -0.109 1
1 554 . 16 1 1 A 44 44 VAL HA H 44 5.375 5.164 0.211 1
1 555 . 16 1 1 A 44 44 VAL CB C 44 36.593 35.289 1.304 1
1 565 . 16 1 1 A 44 44 VAL C C 44 173.223 173.497 -0.274 1
1 566 . 16 1 1 A 45 45 GLU N N 45 118.673 122.413 -3.740 1
1 567 . 16 1 1 A 45 45 GLU H H 45 8.733 8.976 -0.243 1
1 568 . 16 1 1 A 45 45 GLU CA C 45 54.249 54.721 -0.472 1
1 569 . 16 1 1 A 45 45 GLU HA H 45 5.432 5.067 0.365 1
1 570 . 16 1 1 A 45 45 GLU CB C 45 33.286 32.207 1.079 1
1 576 . 16 1 1 A 45 45 GLU C C 45 174.774 175.688 -0.914 1
1 577 . 16 1 1 A 46 46 VAL N N 46 123.551 122.503 1.048 1
1 578 . 16 1 1 A 46 46 VAL H H 46 9.058 8.997 0.061 1
1 579 . 16 1 1 A 46 46 VAL CA C 46 59.627 59.993 -0.366 1
1 580 . 16 1 1 A 46 46 VAL HA H 46 4.669 4.856 -0.187 1
1 581 . 16 1 1 A 46 46 VAL CB C 46 35.290 34.013 1.277 1
1 590 . 16 1 1 A 46 46 VAL C C 46 173.534 174.958 -1.424 1
1 591 . 16 1 1 A 47 47 LYS N N 47 124.992 121.877 3.115 1
1 592 . 16 1 1 A 47 47 LYS H H 47 8.446 8.394 0.052 1
1 593 . 16 1 1 A 47 47 LYS CA C 47 55.905 55.093 0.812 1
1 594 . 16 1 1 A 47 47 LYS HA H 47 4.763 4.888 -0.125 1
1 595 . 16 1 1 A 47 47 LYS CB C 47 33.450 34.621 -1.171 1
1 605 . 16 1 1 A 47 47 LYS C C 47 175.306 175.516 -0.210 1
1 606 . 16 1 1 A 48 48 ALA N N 48 128.781 124.801 3.980 1
1 607 . 16 1 1 A 48 48 ALA H H 48 8.757 8.659 0.098 1
1 608 . 16 1 1 A 48 48 ALA CA C 48 50.828 49.873 0.955 1
1 609 . 16 1 1 A 48 48 ALA HA H 48 4.616 5.094 -0.478 1
1 613 . 16 1 1 A 48 48 ALA CB C 48 21.741 23.157 -1.416 1
1 614 . 16 1 1 A 48 48 ALA C C 48 175.173 175.514 -0.341 1
1 615 . 16 1 1 A 49 49 THR N N 49 113.585 115.264 -1.679 1
1 616 . 16 1 1 A 49 49 THR H H 49 8.333 8.590 -0.257 1
1 617 . 16 1 1 A 49 49 THR CA C 49 60.826 61.541 -0.715 1
1 618 . 16 1 1 A 49 49 THR HA H 49 5.257 5.516 -0.259 1
1 619 . 16 1 1 A 49 49 THR CB C 49 71.045 70.982 0.063 1
1 624 . 16 1 1 A 49 49 THR C C 49 174.176 173.395 0.781 1
1 625 . 16 1 1 A 50 50 ALA N N 50 127.142 127.946 -0.804 1
1 626 . 16 1 1 A 50 50 ALA H H 50 8.914 9.009 -0.095 1
1 627 . 16 1 1 A 50 50 ALA CA C 50 52.345 50.745 1.600 1
1 628 . 16 1 1 A 50 50 ALA HA H 50 4.603 4.908 -0.305 1
1 632 . 16 1 1 A 50 50 ALA CB C 50 20.935 22.781 -1.846 1
1 633 . 16 1 1 A 50 50 ALA C C 50 177.299 176.239 1.060 1
1 634 . 16 1 1 A 51 51 ASN N N 51 121.555 121.687 -0.132 1
1 635 . 16 1 1 A 51 51 ASN H H 51 9.491 9.368 0.123 1
1 636 . 16 1 1 A 51 51 ASN CA C 51 54.177 54.538 -0.361 1
1 637 . 16 1 1 A 51 51 ASN HA H 51 4.389 4.470 -0.081 1
1 638 . 16 1 1 A 51 51 ASN CB C 51 37.413 37.400 0.013 1
1 641 . 16 1 1 A 51 51 ASN C C 51 175.106 175.602 -0.496 1
1 642 . 16 1 1 A 52 52 GLY N N 52 103.942 103.590 0.352 1
1 643 . 16 1 1 A 52 52 GLY H H 52 8.681 8.644 0.037 1
1 644 . 16 1 1 A 52 52 GLY CA C 52 45.443 45.999 -0.556 1
1 645 . 16 1 1 A 52 52 GLY HA2 H 52 3.624 3.868 -0.244 1
1 646 . 16 1 1 A 52 52 GLY HA3 H 52 4.143 3.871 0.272 1
1 647 . 16 1 1 A 52 52 GLY C C 52 173.666 173.563 0.103 1
1 648 . 16 1 1 A 53 53 LYS N N 53 121.213 120.521 0.692 1
1 649 . 16 1 1 A 53 53 LYS H H 53 7.893 7.908 -0.015 1
1 650 . 16 1 1 A 53 53 LYS CA C 53 54.807 54.945 -0.138 1
1 651 . 16 1 1 A 53 53 LYS HA H 53 4.727 4.866 -0.139 1
1 652 . 16 1 1 A 53 53 LYS CB C 53 34.737 35.554 -0.817 1
1 664 . 16 1 1 A 53 53 LYS C C 53 175.239 175.227 0.012 1
1 665 . 16 1 1 A 54 54 THR N N 54 118.501 115.518 2.983 1
1 666 . 16 1 1 A 54 54 THR H H 54 8.498 8.916 -0.418 1
1 667 . 16 1 1 A 54 54 THR CA C 54 61.925 60.876 1.049 1
1 668 . 16 1 1 A 54 54 THR HA H 54 5.117 5.642 -0.525 1
1 669 . 16 1 1 A 54 54 THR CB C 54 70.294 70.353 -0.059 1
1 675 . 16 1 1 A 54 54 THR C C 54 173.733 173.827 -0.094 1
1 676 . 16 1 1 A 55 55 TYR N N 55 125.105 119.596 5.509 1
1 677 . 16 1 1 A 55 55 TYR H H 55 9.122 9.277 -0.155 1
1 678 . 16 1 1 A 55 55 TYR CA C 55 56.149 55.127 1.022 1
1 679 . 16 1 1 A 55 55 TYR HA H 55 4.857 5.605 -0.748 1
1 680 . 16 1 1 A 55 55 TYR CB C 55 40.090 42.172 -2.082 1
1 691 . 16 1 1 A 55 55 TYR C C 55 172.847 173.299 -0.452 1
1 692 . 16 1 1 A 56 56 GLU N N 56 119.744 120.785 -1.041 1
1 693 . 16 1 1 A 56 56 GLU H H 56 8.503 8.944 -0.441 1
1 694 . 16 1 1 A 56 56 GLU CA C 56 54.739 55.378 -0.639 1
1 695 . 16 1 1 A 56 56 GLU HA H 56 5.030 5.048 -0.018 1
1 696 . 16 1 1 A 56 56 GLU CB C 56 30.297 31.548 -1.251 1
1 701 . 16 1 1 A 56 56 GLU C C 56 175.394 176.093 -0.699 1
1 702 . 16 1 1 A 57 57 ARG N N 57 123.665 122.061 1.604 1
1 703 . 16 1 1 A 57 57 ARG H H 57 8.897 9.168 -0.271 1
1 704 . 16 1 1 A 57 57 ARG CA C 57 54.944 54.343 0.601 1
1 705 . 16 1 1 A 57 57 ARG HA H 57 4.663 5.106 -0.443 1
1 706 . 16 1 1 A 57 57 ARG CB C 57 33.471 34.038 -0.567 1
1 713 . 16 1 1 A 57 57 ARG C C 57 174.198 174.632 -0.434 1
1 714 . 16 1 1 A 58 58 GLN N N 58 119.967 121.652 -1.685 1
1 715 . 16 1 1 A 58 58 GLN H H 58 8.604 8.532 0.072 1
1 716 . 16 1 1 A 58 58 GLN CA C 58 53.394 54.782 -1.388 1
1 717 . 16 1 1 A 58 58 GLN HA H 58 5.602 4.941 0.661 1
1 718 . 16 1 1 A 58 58 GLN CB C 58 31.229 29.804 1.425 1
1 724 . 16 1 1 A 58 58 GLN C C 58 175.771 175.880 -0.109 1
1 725 . 16 1 1 A 59 59 GLY N N 59 107.507 109.267 -1.760 1
1 726 . 16 1 1 A 59 59 GLY H H 59 8.652 8.754 -0.102 1
1 727 . 16 1 1 A 59 59 GLY CA C 59 45.583 45.263 0.320 1
1 728 . 16 1 1 A 59 59 GLY HA2 H 59 3.947 4.278 -0.331 1
1 729 . 16 1 1 A 59 59 GLY HA3 H 59 3.947 4.364 -0.417 1
1 730 . 16 1 1 A 59 59 GLY C C 59 170.255 171.692 -1.437 1
1 731 . 16 1 1 A 60 60 PHE N N 60 119.079 119.183 -0.104 1
1 732 . 16 1 1 A 60 60 PHE H H 60 9.153 8.786 0.367 1
1 733 . 16 1 1 A 60 60 PHE CA C 60 58.544 56.495 2.049 1
1 734 . 16 1 1 A 60 60 PHE HA H 60 5.666 5.729 -0.063 1
1 735 . 16 1 1 A 60 60 PHE CB C 60 42.484 42.227 0.257 1
1 748 . 16 1 1 A 60 60 PHE C C 60 175.461 175.579 -0.118 1
1 749 . 16 1 1 A 61 61 VAL N N 61 110.995 116.848 -5.853 1
1 750 . 16 1 1 A 61 61 VAL H H 61 9.065 9.304 -0.239 1
1 751 . 16 1 1 A 61 61 VAL CA C 61 58.189 58.138 0.051 1
1 752 . 16 1 1 A 61 61 VAL HA H 61 4.823 5.031 -0.208 1
1 753 . 16 1 1 A 61 61 VAL CB C 61 33.521 34.581 -1.060 1
1 764 . 16 1 1 A 62 62 PRO CA C 62 61.852 61.603 0.249 1
1 765 . 16 1 1 A 62 62 PRO HA H 62 3.556 3.583 -0.027 1
1 766 . 16 1 1 A 62 62 PRO CB C 62 29.777 30.689 -0.912 1
1 774 . 16 1 1 A 62 62 PRO C C 62 177.787 177.092 0.695 1
1 775 . 16 1 1 A 63 63 ALA N N 63 129.142 127.342 1.800 1
1 776 . 16 1 1 A 63 63 ALA H H 63 7.477 8.115 -0.638 1
1 777 . 16 1 1 A 63 63 ALA CA C 63 54.472 53.541 0.931 1
1 778 . 16 1 1 A 63 63 ALA HA H 63 2.652 3.079 -0.427 1
1 782 . 16 1 1 A 63 63 ALA CB C 63 15.666 17.252 -1.586 1
1 783 . 16 1 1 A 63 63 ALA C C 63 178.429 178.702 -0.273 1
1 784 . 16 1 1 A 64 64 ALA N N 64 113.522 119.004 -5.482 1
1 785 . 16 1 1 A 64 64 ALA H H 64 7.867 7.084 0.783 1
1 786 . 16 1 1 A 64 64 ALA CA C 64 52.768 54.140 -1.372 1
1 787 . 16 1 1 A 64 64 ALA HA H 64 4.006 3.905 0.101 1
1 791 . 16 1 1 A 64 64 ALA CB C 64 17.629 17.891 -0.262 1
1 792 . 16 1 1 A 64 64 ALA C C 64 178.097 178.211 -0.114 1
1 793 . 16 1 1 A 65 65 TYR N N 65 116.109 116.702 -0.593 1
1 794 . 16 1 1 A 65 65 TYR H H 65 7.698 7.338 0.360 1
1 795 . 16 1 1 A 65 65 TYR CA C 65 56.328 58.349 -2.021 1
1 796 . 16 1 1 A 65 65 TYR HA H 65 4.758 4.881 -0.123 1
1 797 . 16 1 1 A 65 65 TYR CB C 65 37.765 39.447 -1.682 1
1 808 . 16 1 1 A 65 65 TYR C C 65 174.375 175.507 -1.132 1
1 809 . 16 1 1 A 66 66 VAL N N 66 111.053 115.296 -4.243 1
1 810 . 16 1 1 A 66 66 VAL H H 66 7.415 7.155 0.260 1
1 811 . 16 1 1 A 66 66 VAL CA C 66 58.119 59.518 -1.399 1
1 812 . 16 1 1 A 66 66 VAL HA H 66 5.538 5.073 0.465 1
1 813 . 16 1 1 A 66 66 VAL CB C 66 35.809 35.596 0.213 1
1 823 . 16 1 1 A 66 66 VAL C C 66 173.511 173.773 -0.262 1
1 824 . 16 1 1 A 67 67 LYS N N 67 118.588 123.965 -5.377 1
1 825 . 16 1 1 A 67 67 LYS H H 67 8.631 9.061 -0.430 1
1 826 . 16 1 1 A 67 67 LYS CA C 67 54.035 54.350 -0.315 1
1 827 . 16 1 1 A 67 67 LYS HA H 67 4.830 5.564 -0.734 1
1 828 . 16 1 1 A 67 67 LYS CB C 67 36.779 36.263 0.516 1
1 838 . 16 1 1 A 67 67 LYS C C 67 175.992 174.681 1.311 1
1 839 . 16 1 1 A 68 68 LYS N N 68 125.838 126.554 -0.716 1
1 840 . 16 1 1 A 68 68 LYS H H 68 9.227 8.649 0.578 1
1 841 . 16 1 1 A 68 68 LYS CA C 68 58.335 56.891 1.444 1
1 842 . 16 1 1 A 68 68 LYS HA H 68 4.494 4.376 0.118 1
1 843 . 16 1 1 A 68 68 LYS CB C 68 32.893 33.097 -0.204 1
1 853 . 16 1 1 A 68 68 LYS C C 68 176.657 175.928 0.729 1
1 854 . 16 1 1 A 69 69 LEU N N 69 125.443 127.004 -1.561 1
1 855 . 16 1 1 A 69 69 LEU H H 69 8.449 8.621 -0.172 1
1 856 . 16 1 1 A 69 69 LEU CA C 69 54.873 53.567 1.306 1
1 857 . 16 1 1 A 69 69 LEU HA H 69 4.437 4.704 -0.267 1
1 858 . 16 1 1 A 69 69 LEU CB C 69 42.345 41.290 1.055 1
1 871 . 16 1 1 A 69 69 LEU C C 69 176.147 174.946 1.201 1
1 10 . 17 1 1 A 2 2 ASP N N 2 123.485 116.629 6.856 1
1 11 . 17 1 1 A 2 2 ASP H H 2 8.809 8.315 0.494 1
1 12 . 17 1 1 A 2 2 ASP CA C 2 54.244 53.390 0.854 1
1 13 . 17 1 1 A 2 2 ASP HA H 2 4.673 4.699 -0.026 1
1 14 . 17 1 1 A 2 2 ASP CB C 2 40.452 40.179 0.273 1
1 17 . 17 1 1 A 2 2 ASP C C 2 175.771 175.733 0.038 1
1 18 . 17 1 1 A 3 3 GLU N N 3 121.725 118.638 3.087 1
1 19 . 17 1 1 A 3 3 GLU H H 3 8.684 7.950 0.734 1
1 20 . 17 1 1 A 3 3 GLU CA C 3 56.162 55.412 0.750 1
1 21 . 17 1 1 A 3 3 GLU HA H 3 4.392 5.177 -0.785 1
1 22 . 17 1 1 A 3 3 GLU CB C 3 29.170 30.830 -1.660 1
1 28 . 17 1 1 A 3 3 GLU C C 3 176.546 175.150 1.396 1
1 29 . 17 1 1 A 4 4 THR N N 4 114.384 116.386 -2.002 1
1 30 . 17 1 1 A 4 4 THR H H 4 8.303 8.724 -0.421 1
1 31 . 17 1 1 A 4 4 THR CA C 4 62.347 60.695 1.652 1
1 32 . 17 1 1 A 4 4 THR HA H 4 4.278 4.805 -0.527 1
1 33 . 17 1 1 A 4 4 THR CB C 4 69.672 71.089 -1.417 1
1 39 . 17 1 1 A 4 4 THR C C 4 175.306 173.352 1.954 1
1 40 . 17 1 1 A 5 5 GLY N N 5 111.296 110.661 0.635 1
1 41 . 17 1 1 A 5 5 GLY H H 5 8.422 8.437 -0.015 1
1 42 . 17 1 1 A 5 5 GLY CA C 5 45.302 45.402 -0.100 1
1 43 . 17 1 1 A 5 5 GLY HA2 H 5 3.928 3.979 -0.051 1
1 44 . 17 1 1 A 5 5 GLY HA3 H 5 3.928 3.979 -0.051 1
1 45 . 17 1 1 A 5 5 GLY C C 5 173.689 175.336 -1.647 1
1 46 . 17 1 1 A 6 6 LYS N N 6 119.850 120.487 -0.637 1
1 47 . 17 1 1 A 6 6 LYS H H 6 8.008 8.228 -0.220 1
1 48 . 17 1 1 A 6 6 LYS CA C 6 55.401 58.851 -3.450 1
1 49 . 17 1 1 A 6 6 LYS HA H 6 4.381 4.066 0.315 1
1 50 . 17 1 1 A 6 6 LYS CB C 6 33.225 31.973 1.252 1
1 62 . 17 1 1 A 6 6 LYS C C 6 175.948 176.979 -1.031 1
1 63 . 17 1 1 A 7 7 GLU N N 7 122.488 118.390 4.098 1
1 64 . 17 1 1 A 7 7 GLU H H 7 8.577 7.991 0.586 1
1 65 . 17 1 1 A 7 7 GLU CA C 7 55.690 55.450 0.240 1
1 66 . 17 1 1 A 7 7 GLU HA H 7 4.495 4.542 -0.047 1
1 67 . 17 1 1 A 7 7 GLU CB C 7 30.382 30.334 0.048 1
1 73 . 17 1 1 A 7 7 GLU C C 7 174.109 175.201 -1.092 1
1 74 . 17 1 1 A 8 8 LEU N N 8 123.063 122.775 0.288 1
1 75 . 17 1 1 A 8 8 LEU H H 8 8.485 7.681 0.804 1
1 76 . 17 1 1 A 8 8 LEU CA C 8 53.331 55.217 -1.886 1
1 77 . 17 1 1 A 8 8 LEU HA H 8 5.381 4.275 1.106 1
1 78 . 17 1 1 A 8 8 LEU CB C 8 45.077 42.431 2.646 1
1 91 . 17 1 1 A 8 8 LEU C C 8 177.344 176.368 0.976 1
1 92 . 17 1 1 A 9 9 VAL N N 9 111.683 118.773 -7.090 1
1 93 . 17 1 1 A 9 9 VAL H H 9 9.111 9.249 -0.138 1
1 94 . 17 1 1 A 9 9 VAL CA C 9 57.854 59.097 -1.243 1
1 95 . 17 1 1 A 9 9 VAL HA H 9 5.214 4.977 0.237 1
1 96 . 17 1 1 A 9 9 VAL CB C 9 35.864 35.456 0.408 1
1 106 . 17 1 1 A 9 9 VAL C C 9 172.404 173.912 -1.508 1
1 107 . 17 1 1 A 10 10 LEU N N 10 123.366 126.145 -2.779 1
1 108 . 17 1 1 A 10 10 LEU H H 10 8.971 9.249 -0.278 1
1 109 . 17 1 1 A 10 10 LEU CA C 10 52.445 53.424 -0.979 1
1 110 . 17 1 1 A 10 10 LEU HA H 10 5.100 5.085 0.015 1
1 111 . 17 1 1 A 10 10 LEU CB C 10 46.711 44.710 2.001 1
1 124 . 17 1 1 A 10 10 LEU C C 10 176.568 175.488 1.080 1
1 125 . 17 1 1 A 11 11 ALA N N 11 127.241 129.158 -1.917 1
1 126 . 17 1 1 A 11 11 ALA H H 11 9.160 9.161 -0.001 1
1 127 . 17 1 1 A 11 11 ALA CA C 11 52.416 51.224 1.192 1
1 128 . 17 1 1 A 11 11 ALA HA H 11 4.610 4.499 0.111 1
1 132 . 17 1 1 A 11 11 ALA CB C 11 19.051 18.584 0.467 1
1 133 . 17 1 1 A 11 11 ALA C C 11 178.252 177.855 0.397 1
1 134 . 17 1 1 A 12 12 LEU N N 12 127.842 126.486 1.356 1
1 135 . 17 1 1 A 12 12 LEU H H 12 9.257 8.685 0.572 1
1 136 . 17 1 1 A 12 12 LEU CA C 12 55.585 57.572 -1.987 1
1 137 . 17 1 1 A 12 12 LEU HA H 12 3.884 3.947 -0.063 1
1 138 . 17 1 1 A 12 12 LEU CB C 12 43.192 41.971 1.221 1
1 151 . 17 1 1 A 12 12 LEU C C 12 174.951 176.515 -1.564 1
1 152 . 17 1 1 A 13 13 TYR N N 13 111.673 114.930 -3.257 1
1 153 . 17 1 1 A 13 13 TYR H H 13 7.129 8.069 -0.940 1
1 154 . 17 1 1 A 13 13 TYR CA C 13 54.530 56.237 -1.707 1
1 155 . 17 1 1 A 13 13 TYR HA H 13 4.617 5.091 -0.474 1
1 156 . 17 1 1 A 13 13 TYR CB C 13 42.982 40.715 2.267 1
1 167 . 17 1 1 A 13 13 TYR C C 13 173.600 175.596 -1.996 1
1 168 . 17 1 1 A 14 14 ASP N N 14 117.888 121.872 -3.984 1
1 169 . 17 1 1 A 14 14 ASP H H 14 8.328 8.639 -0.311 1
1 170 . 17 1 1 A 14 14 ASP CA C 14 54.527 53.724 0.803 1
1 171 . 17 1 1 A 14 14 ASP HA H 14 4.615 4.728 -0.113 1
1 172 . 17 1 1 A 14 14 ASP CB C 14 41.351 41.823 -0.472 1
1 175 . 17 1 1 A 14 14 ASP C C 14 176.125 175.317 0.808 1
1 176 . 17 1 1 A 15 15 TYR N N 15 120.102 121.783 -1.681 1
1 177 . 17 1 1 A 15 15 TYR H H 15 8.733 8.941 -0.208 1
1 178 . 17 1 1 A 15 15 TYR CA C 15 59.669 57.111 2.558 1
1 179 . 17 1 1 A 15 15 TYR HA H 15 4.662 5.235 -0.573 1
1 180 . 17 1 1 A 15 15 TYR CB C 15 43.400 42.232 1.168 1
1 191 . 17 1 1 A 15 15 TYR C C 15 172.803 173.691 -0.888 1
1 192 . 17 1 1 A 16 16 GLN N N 16 126.945 122.078 4.867 1
1 193 . 17 1 1 A 16 16 GLN H H 16 7.546 7.849 -0.303 1
1 194 . 17 1 1 A 16 16 GLN CA C 16 53.820 54.819 -0.999 1
1 195 . 17 1 1 A 16 16 GLN HA H 16 4.500 4.843 -0.343 1
1 196 . 17 1 1 A 16 16 GLN CB C 16 29.378 30.052 -0.674 1
1 202 . 17 1 1 A 16 16 GLN C C 16 173.910 175.224 -1.314 1
1 203 . 17 1 1 A 17 17 GLU N N 17 123.035 125.087 -2.052 1
1 204 . 17 1 1 A 17 17 GLU H H 17 7.930 8.894 -0.964 1
1 205 . 17 1 1 A 17 17 GLU CA C 17 56.078 56.881 -0.803 1
1 206 . 17 1 1 A 17 17 GLU HA H 17 4.211 4.301 -0.090 1
1 207 . 17 1 1 A 17 17 GLU CB C 17 29.520 30.239 -0.719 1
1 213 . 17 1 1 A 17 17 GLU C C 17 175.926 175.965 -0.039 1
1 214 . 17 1 1 A 18 18 LYS N N 18 120.770 121.585 -0.815 1
1 215 . 17 1 1 A 18 18 LYS H H 18 8.801 8.998 -0.197 1
1 216 . 17 1 1 A 18 18 LYS CA C 18 55.164 56.693 -1.529 1
1 217 . 17 1 1 A 18 18 LYS HA H 18 4.424 4.592 -0.168 1
1 218 . 17 1 1 A 18 18 LYS CB C 18 33.328 35.016 -1.688 1
1 230 . 17 1 1 A 18 18 LYS C C 18 176.192 176.142 0.050 1
1 231 . 17 1 1 A 19 19 SER N N 19 114.841 114.840 0.001 1
1 232 . 17 1 1 A 19 19 SER H H 19 7.619 7.862 -0.243 1
1 233 . 17 1 1 A 19 19 SER CA C 19 56.678 55.949 0.729 1
1 234 . 17 1 1 A 19 19 SER HA H 19 4.863 4.921 -0.058 1
1 235 . 17 1 1 A 19 19 SER CB C 19 64.060 64.738 -0.678 1
1 239 . 17 1 1 A 20 20 PRO CA C 20 64.803 64.423 0.380 1
1 240 . 17 1 1 A 20 20 PRO HA H 20 4.549 4.553 -0.004 1
1 241 . 17 1 1 A 20 20 PRO CB C 20 31.894 31.739 0.155 1
1 249 . 17 1 1 A 20 20 PRO C C 20 176.679 177.332 -0.653 1
1 250 . 17 1 1 A 21 21 ARG N N 21 113.864 117.682 -3.818 1
1 251 . 17 1 1 A 21 21 ARG H H 21 7.687 7.976 -0.289 1
1 252 . 17 1 1 A 21 21 ARG CA C 21 56.119 56.097 0.022 1
1 253 . 17 1 1 A 21 21 ARG HA H 21 4.598 4.623 -0.025 1
1 254 . 17 1 1 A 21 21 ARG CB C 21 30.299 30.852 -0.553 1
1 263 . 17 1 1 A 21 21 ARG C C 21 176.369 175.477 0.892 1
1 264 . 17 1 1 A 22 22 GLU N N 22 121.539 121.531 0.008 1
1 265 . 17 1 1 A 22 22 GLU H H 22 7.842 7.229 0.613 1
1 266 . 17 1 1 A 22 22 GLU CA C 22 54.951 55.348 -0.397 1
1 267 . 17 1 1 A 22 22 GLU HA H 22 5.484 4.927 0.557 1
1 268 . 17 1 1 A 22 22 GLU CB C 22 33.535 33.349 0.186 1
1 274 . 17 1 1 A 22 22 GLU C C 22 174.375 174.616 -0.241 1
1 275 . 17 1 1 A 23 23 VAL N N 23 111.923 118.381 -6.458 1
1 276 . 17 1 1 A 23 23 VAL H H 23 7.373 8.752 -1.379 1
1 277 . 17 1 1 A 23 23 VAL CA C 23 59.570 59.669 -0.099 1
1 278 . 17 1 1 A 23 23 VAL HA H 23 4.531 5.110 -0.579 1
1 279 . 17 1 1 A 23 23 VAL CB C 23 34.667 36.224 -1.557 1
1 289 . 17 1 1 A 23 23 VAL C C 23 172.625 173.761 -1.136 1
1 290 . 17 1 1 A 24 24 THR N N 24 117.656 115.569 2.087 1
1 291 . 17 1 1 A 24 24 THR H H 24 7.112 8.812 -1.700 1
1 292 . 17 1 1 A 24 24 THR CA C 24 61.994 60.452 1.542 1
1 293 . 17 1 1 A 24 24 THR HA H 24 5.119 5.172 -0.053 1
1 294 . 17 1 1 A 24 24 THR CB C 24 71.220 70.963 0.257 1
1 300 . 17 1 1 A 24 24 THR C C 24 174.309 171.927 2.382 1
1 301 . 17 1 1 A 25 25 MET N N 25 122.056 122.966 -0.910 1
1 302 . 17 1 1 A 25 25 MET H H 25 9.515 8.973 0.542 1
1 303 . 17 1 1 A 25 25 MET CA C 25 54.247 54.425 -0.178 1
1 304 . 17 1 1 A 25 25 MET HA H 25 4.935 5.149 -0.214 1
1 305 . 17 1 1 A 25 25 MET CB C 25 36.287 37.927 -1.640 1
1 312 . 17 1 1 A 25 25 MET C C 25 173.777 174.951 -1.174 1
1 313 . 17 1 1 A 26 26 LYS N N 26 124.668 118.640 6.028 1
1 314 . 17 1 1 A 26 26 LYS H H 26 8.949 8.677 0.272 1
1 315 . 17 1 1 A 26 26 LYS CA C 26 53.476 54.234 -0.758 1
1 316 . 17 1 1 A 26 26 LYS HA H 26 4.896 4.940 -0.044 1
1 317 . 17 1 1 A 26 26 LYS CB C 26 34.097 35.805 -1.708 1
1 327 . 17 1 1 A 26 26 LYS C C 26 174.929 176.259 -1.330 1
1 328 . 17 1 1 A 27 27 LYS N N 27 122.567 121.700 0.867 1
1 329 . 17 1 1 A 27 27 LYS H H 27 9.061 8.412 0.649 1
1 330 . 17 1 1 A 27 27 LYS CA C 27 58.539 57.086 1.453 1
1 331 . 17 1 1 A 27 27 LYS HA H 27 4.656 4.076 0.580 1
1 332 . 17 1 1 A 27 27 LYS CB C 27 32.202 31.895 0.307 1
1 344 . 17 1 1 A 27 27 LYS C C 27 177.344 177.029 0.315 1
1 345 . 17 1 1 A 28 28 GLY N N 28 115.884 112.973 2.911 1
1 346 . 17 1 1 A 28 28 GLY H H 28 8.900 8.980 -0.080 1
1 347 . 17 1 1 A 28 28 GLY CA C 28 44.779 45.485 -0.706 1
1 348 . 17 1 1 A 28 28 GLY HA2 H 28 3.523 3.919 -0.396 1
1 349 . 17 1 1 A 28 28 GLY HA3 H 28 4.469 3.926 0.543 1
1 350 . 17 1 1 A 28 28 GLY C C 28 174.021 173.611 0.410 1
1 351 . 17 1 1 A 29 29 ASP N N 29 122.466 120.539 1.927 1
1 352 . 17 1 1 A 29 29 ASP H H 29 8.513 8.049 0.464 1
1 353 . 17 1 1 A 29 29 ASP CA C 29 55.711 53.285 2.426 1
1 354 . 17 1 1 A 29 29 ASP HA H 29 4.523 4.907 -0.384 1
1 355 . 17 1 1 A 29 29 ASP CB C 29 41.361 42.636 -1.275 1
1 358 . 17 1 1 A 29 29 ASP C C 29 174.331 175.307 -0.976 1
1 359 . 17 1 1 A 30 30 ILE N N 30 120.470 121.932 -1.462 1
1 360 . 17 1 1 A 30 30 ILE H H 30 8.204 8.443 -0.239 1
1 361 . 17 1 1 A 30 30 ILE CA C 30 60.164 60.451 -0.287 1
1 362 . 17 1 1 A 30 30 ILE HA H 30 5.025 5.313 -0.288 1
1 363 . 17 1 1 A 30 30 ILE CB C 30 38.257 41.882 -3.625 1
1 372 . 17 1 1 A 30 30 ILE C C 30 176.236 175.033 1.203 1
1 373 . 17 1 1 A 31 31 LEU N N 31 128.265 126.309 1.956 1
1 374 . 17 1 1 A 31 31 LEU H H 31 9.353 8.904 0.449 1
1 375 . 17 1 1 A 31 31 LEU CA C 31 53.601 53.791 -0.190 1
1 376 . 17 1 1 A 31 31 LEU HA H 31 4.998 5.123 -0.125 1
1 377 . 17 1 1 A 31 31 LEU CB C 31 43.893 45.748 -1.855 1
1 388 . 17 1 1 A 31 31 LEU C C 31 175.638 175.768 -0.130 1
1 389 . 17 1 1 A 32 32 THR N N 32 117.089 120.244 -3.155 1
1 390 . 17 1 1 A 32 32 THR H H 32 8.141 8.734 -0.593 1
1 391 . 17 1 1 A 32 32 THR CA C 32 63.263 63.167 0.096 1
1 392 . 17 1 1 A 32 32 THR HA H 32 4.619 4.408 0.211 1
1 393 . 17 1 1 A 32 32 THR CB C 32 69.867 69.058 0.809 1
1 399 . 17 1 1 A 32 32 THR C C 32 173.600 174.296 -0.696 1
1 400 . 17 1 1 A 33 33 LEU N N 33 129.212 128.248 0.964 1
1 401 . 17 1 1 A 33 33 LEU H H 33 9.070 8.497 0.573 1
1 402 . 17 1 1 A 33 33 LEU CA C 33 54.671 56.242 -1.571 1
1 403 . 17 1 1 A 33 33 LEU HA H 33 4.356 4.317 0.039 1
1 404 . 17 1 1 A 33 33 LEU CB C 33 42.968 42.266 0.702 1
1 417 . 17 1 1 A 33 33 LEU C C 33 174.553 176.028 -1.475 1
1 418 . 17 1 1 A 34 34 LEU N N 34 125.880 127.851 -1.971 1
1 419 . 17 1 1 A 34 34 LEU H H 34 9.051 9.336 -0.285 1
1 420 . 17 1 1 A 34 34 LEU CA C 34 54.811 55.891 -1.080 1
1 421 . 17 1 1 A 34 34 LEU HA H 34 4.532 4.429 0.103 1
1 422 . 17 1 1 A 34 34 LEU CB C 34 42.977 43.259 -0.282 1
1 434 . 17 1 1 A 34 34 LEU C C 34 177.477 176.564 0.913 1
1 435 . 17 1 1 A 35 35 ASN N N 35 113.971 115.000 -1.029 1
1 436 . 17 1 1 A 35 35 ASN H H 35 7.600 7.724 -0.124 1
1 437 . 17 1 1 A 35 35 ASN CA C 35 54.543 52.568 1.975 1
1 438 . 17 1 1 A 35 35 ASN HA H 35 4.680 5.056 -0.376 1
1 439 . 17 1 1 A 35 35 ASN CB C 35 40.958 42.127 -1.169 1
1 443 . 17 1 1 A 35 35 ASN C C 35 174.375 174.283 0.092 1
1 444 . 17 1 1 A 36 36 SER N N 36 123.815 117.361 6.454 1
1 445 . 17 1 1 A 36 36 SER H H 36 9.194 8.663 0.531 1
1 446 . 17 1 1 A 36 36 SER CA C 36 56.692 56.925 -0.233 1
1 447 . 17 1 1 A 36 36 SER HA H 36 3.921 4.901 -0.980 1
1 448 . 17 1 1 A 36 36 SER CB C 36 62.180 63.785 -1.605 1
1 451 . 17 1 1 A 36 36 SER C C 36 173.401 174.689 -1.288 1
1 452 . 17 1 1 A 37 37 THR N N 37 115.041 117.566 -2.525 1
1 453 . 17 1 1 A 37 37 THR H H 37 8.178 7.671 0.507 1
1 454 . 17 1 1 A 37 37 THR CA C 37 65.484 65.064 0.420 1
1 455 . 17 1 1 A 37 37 THR HA H 37 4.528 4.106 0.422 1
1 456 . 17 1 1 A 37 37 THR CB C 37 69.416 68.910 0.506 1
1 462 . 17 1 1 A 37 37 THR C C 37 175.261 175.400 -0.139 1
1 463 . 17 1 1 A 38 38 ASN N N 38 122.494 119.884 2.610 1
1 464 . 17 1 1 A 38 38 ASN H H 38 8.674 7.977 0.697 1
1 465 . 17 1 1 A 38 38 ASN CA C 38 53.188 52.341 0.847 1
1 466 . 17 1 1 A 38 38 ASN HA H 38 4.863 4.859 0.004 1
1 467 . 17 1 1 A 38 38 ASN CB C 38 40.525 40.692 -0.167 1
1 470 . 17 1 1 A 38 38 ASN C C 38 174.575 175.831 -1.256 1
1 471 . 17 1 1 A 39 39 LYS N N 39 120.915 121.560 -0.645 1
1 472 . 17 1 1 A 39 39 LYS H H 39 8.510 8.532 -0.022 1
1 473 . 17 1 1 A 39 39 LYS CA C 39 58.333 55.620 2.713 1
1 474 . 17 1 1 A 39 39 LYS HA H 39 4.247 4.852 -0.605 1
1 475 . 17 1 1 A 39 39 LYS CB C 39 32.520 33.027 -0.507 1
1 485 . 17 1 1 A 39 39 LYS C C 39 176.236 176.137 0.099 1
1 486 . 17 1 1 A 40 40 ASP N N 40 114.628 117.176 -2.548 1
1 487 . 17 1 1 A 40 40 ASP H H 40 8.173 7.580 0.593 1
1 488 . 17 1 1 A 40 40 ASP CA C 40 55.380 54.696 0.684 1
1 489 . 17 1 1 A 40 40 ASP HA H 40 4.544 4.482 0.062 1
1 490 . 17 1 1 A 40 40 ASP CB C 40 43.415 43.990 -0.575 1
1 493 . 17 1 1 A 40 40 ASP C C 40 176.967 174.902 2.065 1
1 494 . 17 1 1 A 41 41 TRP N N 41 122.703 116.334 6.369 1
1 495 . 17 1 1 A 41 41 TRP H H 41 8.209 8.031 0.178 1
1 496 . 17 1 1 A 41 41 TRP CA C 41 56.184 55.306 0.878 1
1 497 . 17 1 1 A 41 41 TRP HA H 41 5.075 5.478 -0.403 1
1 498 . 17 1 1 A 41 41 TRP CB C 41 32.019 32.849 -0.830 1
1 513 . 17 1 1 A 41 41 TRP C C 41 174.176 175.383 -1.207 1
1 514 . 17 1 1 A 42 42 TRP N N 42 124.895 124.050 0.845 1
1 515 . 17 1 1 A 42 42 TRP H H 42 9.366 9.325 0.041 1
1 516 . 17 1 1 A 42 42 TRP CA C 42 54.076 56.114 -2.038 1
1 517 . 17 1 1 A 42 42 TRP HA H 42 5.523 5.260 0.263 1
1 518 . 17 1 1 A 42 42 TRP CB C 42 31.447 31.889 -0.442 1
1 533 . 17 1 1 A 42 42 TRP C C 42 174.109 175.392 -1.283 1
1 534 . 17 1 1 A 43 43 LYS N N 43 124.120 124.606 -0.486 1
1 535 . 17 1 1 A 43 43 LYS H H 43 8.883 9.395 -0.512 1
1 536 . 17 1 1 A 43 43 LYS CA C 43 55.158 55.286 -0.128 1
1 537 . 17 1 1 A 43 43 LYS HA H 43 4.368 5.080 -0.712 1
1 538 . 17 1 1 A 43 43 LYS CB C 43 33.794 33.724 0.070 1
1 550 . 17 1 1 A 43 43 LYS C C 43 175.416 176.020 -0.604 1
1 551 . 17 1 1 A 44 44 VAL N N 44 122.055 121.120 0.935 1
1 552 . 17 1 1 A 44 44 VAL H H 44 9.427 9.077 0.350 1
1 553 . 17 1 1 A 44 44 VAL CA C 44 58.825 58.938 -0.113 1
1 554 . 17 1 1 A 44 44 VAL HA H 44 5.375 5.179 0.196 1
1 555 . 17 1 1 A 44 44 VAL CB C 44 36.593 35.113 1.480 1
1 565 . 17 1 1 A 44 44 VAL C C 44 173.223 173.568 -0.345 1
1 566 . 17 1 1 A 45 45 GLU N N 45 118.673 122.453 -3.780 1
1 567 . 17 1 1 A 45 45 GLU H H 45 8.733 8.947 -0.214 1
1 568 . 17 1 1 A 45 45 GLU CA C 45 54.249 54.789 -0.540 1
1 569 . 17 1 1 A 45 45 GLU HA H 45 5.432 4.860 0.572 1
1 570 . 17 1 1 A 45 45 GLU CB C 45 33.286 31.262 2.024 1
1 576 . 17 1 1 A 45 45 GLU C C 45 174.774 175.983 -1.209 1
1 577 . 17 1 1 A 46 46 VAL N N 46 123.551 122.106 1.445 1
1 578 . 17 1 1 A 46 46 VAL H H 46 9.058 9.159 -0.101 1
1 579 . 17 1 1 A 46 46 VAL CA C 46 59.627 59.758 -0.131 1
1 580 . 17 1 1 A 46 46 VAL HA H 46 4.669 4.932 -0.263 1
1 581 . 17 1 1 A 46 46 VAL CB C 46 35.290 34.046 1.244 1
1 590 . 17 1 1 A 46 46 VAL C C 46 173.534 175.164 -1.630 1
1 591 . 17 1 1 A 47 47 LYS N N 47 124.992 120.899 4.093 1
1 592 . 17 1 1 A 47 47 LYS H H 47 8.446 8.283 0.163 1
1 593 . 17 1 1 A 47 47 LYS CA C 47 55.905 54.490 1.415 1
1 594 . 17 1 1 A 47 47 LYS HA H 47 4.763 4.951 -0.188 1
1 595 . 17 1 1 A 47 47 LYS CB C 47 33.450 35.531 -2.081 1
1 605 . 17 1 1 A 47 47 LYS C C 47 175.306 175.500 -0.194 1
1 606 . 17 1 1 A 48 48 ALA N N 48 128.781 123.375 5.406 1
1 607 . 17 1 1 A 48 48 ALA H H 48 8.757 8.699 0.058 1
1 608 . 17 1 1 A 48 48 ALA CA C 48 50.828 50.252 0.576 1
1 609 . 17 1 1 A 48 48 ALA HA H 48 4.616 4.992 -0.376 1
1 613 . 17 1 1 A 48 48 ALA CB C 48 21.741 23.566 -1.825 1
1 614 . 17 1 1 A 48 48 ALA C C 48 175.173 175.091 0.082 1
1 615 . 17 1 1 A 49 49 THR N N 49 113.585 114.923 -1.338 1
1 616 . 17 1 1 A 49 49 THR H H 49 8.333 8.530 -0.197 1
1 617 . 17 1 1 A 49 49 THR CA C 49 60.826 61.516 -0.690 1
1 618 . 17 1 1 A 49 49 THR HA H 49 5.257 5.496 -0.239 1
1 619 . 17 1 1 A 49 49 THR CB C 49 71.045 71.037 0.008 1
1 624 . 17 1 1 A 49 49 THR C C 49 174.176 173.473 0.703 1
1 625 . 17 1 1 A 50 50 ALA N N 50 127.142 127.929 -0.787 1
1 626 . 17 1 1 A 50 50 ALA H H 50 8.914 8.981 -0.067 1
1 627 . 17 1 1 A 50 50 ALA CA C 50 52.345 50.713 1.632 1
1 628 . 17 1 1 A 50 50 ALA HA H 50 4.603 4.895 -0.292 1
1 632 . 17 1 1 A 50 50 ALA CB C 50 20.935 23.248 -2.313 1
1 633 . 17 1 1 A 50 50 ALA C C 50 177.299 176.137 1.162 1
1 634 . 17 1 1 A 51 51 ASN N N 51 121.555 121.096 0.459 1
1 635 . 17 1 1 A 51 51 ASN H H 51 9.491 9.352 0.139 1
1 636 . 17 1 1 A 51 51 ASN CA C 51 54.177 54.459 -0.282 1
1 637 . 17 1 1 A 51 51 ASN HA H 51 4.389 4.445 -0.056 1
1 638 . 17 1 1 A 51 51 ASN CB C 51 37.413 37.300 0.113 1
1 641 . 17 1 1 A 51 51 ASN C C 51 175.106 175.617 -0.511 1
1 642 . 17 1 1 A 52 52 GLY N N 52 103.942 104.035 -0.093 1
1 643 . 17 1 1 A 52 52 GLY H H 52 8.681 8.693 -0.012 1
1 644 . 17 1 1 A 52 52 GLY CA C 52 45.443 45.916 -0.473 1
1 645 . 17 1 1 A 52 52 GLY HA2 H 52 3.624 3.881 -0.257 1
1 646 . 17 1 1 A 52 52 GLY HA3 H 52 4.143 3.884 0.259 1
1 647 . 17 1 1 A 52 52 GLY C C 52 173.666 174.032 -0.366 1
1 648 . 17 1 1 A 53 53 LYS N N 53 121.213 120.396 0.817 1
1 649 . 17 1 1 A 53 53 LYS H H 53 7.893 7.907 -0.014 1
1 650 . 17 1 1 A 53 53 LYS CA C 53 54.807 54.909 -0.102 1
1 651 . 17 1 1 A 53 53 LYS HA H 53 4.727 4.944 -0.217 1
1 652 . 17 1 1 A 53 53 LYS CB C 53 34.737 35.560 -0.823 1
1 664 . 17 1 1 A 53 53 LYS C C 53 175.239 174.764 0.475 1
1 665 . 17 1 1 A 54 54 THR N N 54 118.501 115.868 2.633 1
1 666 . 17 1 1 A 54 54 THR H H 54 8.498 8.854 -0.356 1
1 667 . 17 1 1 A 54 54 THR CA C 54 61.925 61.033 0.892 1
1 668 . 17 1 1 A 54 54 THR HA H 54 5.117 5.503 -0.386 1
1 669 . 17 1 1 A 54 54 THR CB C 54 70.294 70.316 -0.022 1
1 675 . 17 1 1 A 54 54 THR C C 54 173.733 173.847 -0.114 1
1 676 . 17 1 1 A 55 55 TYR N N 55 125.105 119.451 5.654 1
1 677 . 17 1 1 A 55 55 TYR H H 55 9.122 9.105 0.017 1
1 678 . 17 1 1 A 55 55 TYR CA C 55 56.149 55.339 0.810 1
1 679 . 17 1 1 A 55 55 TYR HA H 55 4.857 5.403 -0.546 1
1 680 . 17 1 1 A 55 55 TYR CB C 55 40.090 41.141 -1.051 1
1 691 . 17 1 1 A 55 55 TYR C C 55 172.847 172.787 0.060 1
1 692 . 17 1 1 A 56 56 GLU N N 56 119.744 119.827 -0.083 1
1 693 . 17 1 1 A 56 56 GLU H H 56 8.503 8.925 -0.422 1
1 694 . 17 1 1 A 56 56 GLU CA C 56 54.739 55.062 -0.323 1
1 695 . 17 1 1 A 56 56 GLU HA H 56 5.030 5.235 -0.205 1
1 696 . 17 1 1 A 56 56 GLU CB C 56 30.297 33.070 -2.773 1
1 701 . 17 1 1 A 56 56 GLU C C 56 175.394 175.654 -0.260 1
1 702 . 17 1 1 A 57 57 ARG N N 57 123.665 119.936 3.729 1
1 703 . 17 1 1 A 57 57 ARG H H 57 8.897 9.077 -0.180 1
1 704 . 17 1 1 A 57 57 ARG CA C 57 54.944 54.629 0.315 1
1 705 . 17 1 1 A 57 57 ARG HA H 57 4.663 5.101 -0.438 1
1 706 . 17 1 1 A 57 57 ARG CB C 57 33.471 33.955 -0.484 1
1 713 . 17 1 1 A 57 57 ARG C C 57 174.198 174.204 -0.006 1
1 714 . 17 1 1 A 58 58 GLN N N 58 119.967 121.947 -1.980 1
1 715 . 17 1 1 A 58 58 GLN H H 58 8.604 8.669 -0.065 1
1 716 . 17 1 1 A 58 58 GLN CA C 58 53.394 54.790 -1.396 1
1 717 . 17 1 1 A 58 58 GLN HA H 58 5.602 5.206 0.396 1
1 718 . 17 1 1 A 58 58 GLN CB C 58 31.229 30.170 1.059 1
1 724 . 17 1 1 A 58 58 GLN C C 58 175.771 175.679 0.092 1
1 725 . 17 1 1 A 59 59 GLY N N 59 107.507 109.110 -1.603 1
1 726 . 17 1 1 A 59 59 GLY H H 59 8.652 8.857 -0.205 1
1 727 . 17 1 1 A 59 59 GLY CA C 59 45.583 45.025 0.558 1
1 728 . 17 1 1 A 59 59 GLY HA2 H 59 3.947 4.264 -0.317 1
1 729 . 17 1 1 A 59 59 GLY HA3 H 59 3.947 4.386 -0.439 1
1 730 . 17 1 1 A 59 59 GLY C C 59 170.255 171.944 -1.689 1
1 731 . 17 1 1 A 60 60 PHE N N 60 119.079 119.115 -0.036 1
1 732 . 17 1 1 A 60 60 PHE H H 60 9.153 8.621 0.532 1
1 733 . 17 1 1 A 60 60 PHE CA C 60 58.544 57.203 1.341 1
1 734 . 17 1 1 A 60 60 PHE HA H 60 5.666 5.535 0.131 1
1 735 . 17 1 1 A 60 60 PHE CB C 60 42.484 42.144 0.340 1
1 748 . 17 1 1 A 60 60 PHE C C 60 175.461 175.577 -0.116 1
1 749 . 17 1 1 A 61 61 VAL N N 61 110.995 116.579 -5.584 1
1 750 . 17 1 1 A 61 61 VAL H H 61 9.065 9.189 -0.124 1
1 751 . 17 1 1 A 61 61 VAL CA C 61 58.189 58.309 -0.120 1
1 752 . 17 1 1 A 61 61 VAL HA H 61 4.823 4.827 -0.004 1
1 753 . 17 1 1 A 61 61 VAL CB C 61 33.521 34.903 -1.382 1
1 764 . 17 1 1 A 62 62 PRO CA C 62 61.852 61.899 -0.047 1
1 765 . 17 1 1 A 62 62 PRO HA H 62 3.556 3.734 -0.178 1
1 766 . 17 1 1 A 62 62 PRO CB C 62 29.777 30.741 -0.964 1
1 774 . 17 1 1 A 62 62 PRO C C 62 177.787 177.342 0.445 1
1 775 . 17 1 1 A 63 63 ALA N N 63 129.142 127.731 1.411 1
1 776 . 17 1 1 A 63 63 ALA H H 63 7.477 8.156 -0.679 1
1 777 . 17 1 1 A 63 63 ALA CA C 63 54.472 53.515 0.957 1
1 778 . 17 1 1 A 63 63 ALA HA H 63 2.652 3.108 -0.456 1
1 782 . 17 1 1 A 63 63 ALA CB C 63 15.666 16.985 -1.319 1
1 783 . 17 1 1 A 63 63 ALA C C 63 178.429 178.464 -0.035 1
1 784 . 17 1 1 A 64 64 ALA N N 64 113.522 119.207 -5.685 1
1 785 . 17 1 1 A 64 64 ALA H H 64 7.867 7.127 0.740 1
1 786 . 17 1 1 A 64 64 ALA CA C 64 52.768 54.086 -1.318 1
1 787 . 17 1 1 A 64 64 ALA HA H 64 4.006 3.891 0.115 1
1 791 . 17 1 1 A 64 64 ALA CB C 64 17.629 17.846 -0.217 1
1 792 . 17 1 1 A 64 64 ALA C C 64 178.097 178.097 0.000 1
1 793 . 17 1 1 A 65 65 TYR N N 65 116.109 116.376 -0.267 1
1 794 . 17 1 1 A 65 65 TYR H H 65 7.698 7.512 0.186 1
1 795 . 17 1 1 A 65 65 TYR CA C 65 56.328 59.054 -2.726 1
1 796 . 17 1 1 A 65 65 TYR HA H 65 4.758 4.718 0.040 1
1 797 . 17 1 1 A 65 65 TYR CB C 65 37.765 40.107 -2.342 1
1 808 . 17 1 1 A 65 65 TYR C C 65 174.375 175.823 -1.448 1
1 809 . 17 1 1 A 66 66 VAL N N 66 111.053 114.642 -3.589 1
1 810 . 17 1 1 A 66 66 VAL H H 66 7.415 7.084 0.331 1
1 811 . 17 1 1 A 66 66 VAL CA C 66 58.119 59.858 -1.739 1
1 812 . 17 1 1 A 66 66 VAL HA H 66 5.538 5.092 0.446 1
1 813 . 17 1 1 A 66 66 VAL CB C 66 35.809 34.113 1.696 1
1 823 . 17 1 1 A 66 66 VAL C C 66 173.511 175.007 -1.496 1
1 824 . 17 1 1 A 67 67 LYS N N 67 118.588 123.107 -4.519 1
1 825 . 17 1 1 A 67 67 LYS H H 67 8.631 9.057 -0.426 1
1 826 . 17 1 1 A 67 67 LYS CA C 67 54.035 54.459 -0.424 1
1 827 . 17 1 1 A 67 67 LYS HA H 67 4.830 5.247 -0.417 1
1 828 . 17 1 1 A 67 67 LYS CB C 67 36.779 36.416 0.363 1
1 838 . 17 1 1 A 67 67 LYS C C 67 175.992 175.667 0.325 1
1 839 . 17 1 1 A 68 68 LYS N N 68 125.838 119.098 6.740 1
1 840 . 17 1 1 A 68 68 LYS H H 68 9.227 8.394 0.833 1
1 841 . 17 1 1 A 68 68 LYS CA C 68 58.335 56.490 1.845 1
1 842 . 17 1 1 A 68 68 LYS HA H 68 4.494 4.202 0.292 1
1 843 . 17 1 1 A 68 68 LYS CB C 68 32.893 32.864 0.029 1
1 853 . 17 1 1 A 68 68 LYS C C 68 176.657 176.587 0.070 1
1 854 . 17 1 1 A 69 69 LEU N N 69 125.443 122.574 2.869 1
1 855 . 17 1 1 A 69 69 LEU H H 69 8.449 8.706 -0.257 1
1 856 . 17 1 1 A 69 69 LEU CA C 69 54.873 53.416 1.457 1
1 857 . 17 1 1 A 69 69 LEU HA H 69 4.437 4.818 -0.381 1
1 858 . 17 1 1 A 69 69 LEU CB C 69 42.345 42.417 -0.072 1
1 871 . 17 1 1 A 69 69 LEU C C 69 176.147 175.712 0.435 1
1 10 . 18 1 1 A 2 2 ASP N N 2 123.485 118.767 4.718 1
1 11 . 18 1 1 A 2 2 ASP H H 2 8.809 8.673 0.136 1
1 12 . 18 1 1 A 2 2 ASP CA C 2 54.244 53.655 0.589 1
1 13 . 18 1 1 A 2 2 ASP HA H 2 4.673 5.066 -0.393 1
1 14 . 18 1 1 A 2 2 ASP CB C 2 40.452 41.558 -1.106 1
1 17 . 18 1 1 A 2 2 ASP C C 2 175.771 176.236 -0.465 1
1 18 . 18 1 1 A 3 3 GLU N N 3 121.725 118.729 2.996 1
1 19 . 18 1 1 A 3 3 GLU H H 3 8.684 7.767 0.917 1
1 20 . 18 1 1 A 3 3 GLU CA C 3 56.162 55.987 0.175 1
1 21 . 18 1 1 A 3 3 GLU HA H 3 4.392 4.569 -0.177 1
1 22 . 18 1 1 A 3 3 GLU CB C 3 29.170 30.399 -1.229 1
1 28 . 18 1 1 A 3 3 GLU C C 3 176.546 174.940 1.606 1
1 29 . 18 1 1 A 4 4 THR N N 4 114.384 115.514 -1.130 1
1 30 . 18 1 1 A 4 4 THR H H 4 8.303 7.693 0.610 1
1 31 . 18 1 1 A 4 4 THR CA C 4 62.347 61.290 1.057 1
1 32 . 18 1 1 A 4 4 THR HA H 4 4.278 4.647 -0.369 1
1 33 . 18 1 1 A 4 4 THR CB C 4 69.672 71.007 -1.335 1
1 39 . 18 1 1 A 4 4 THR C C 4 175.306 172.599 2.707 1
1 40 . 18 1 1 A 5 5 GLY N N 5 111.296 114.703 -3.407 1
1 41 . 18 1 1 A 5 5 GLY H H 5 8.422 8.410 0.012 1
1 42 . 18 1 1 A 5 5 GLY CA C 5 45.302 45.396 -0.094 1
1 43 . 18 1 1 A 5 5 GLY HA2 H 5 3.928 3.986 -0.058 1
1 44 . 18 1 1 A 5 5 GLY HA3 H 5 3.928 3.986 -0.058 1
1 45 . 18 1 1 A 5 5 GLY C C 5 173.689 175.281 -1.592 1
1 46 . 18 1 1 A 6 6 LYS N N 6 119.850 119.675 0.175 1
1 47 . 18 1 1 A 6 6 LYS H H 6 8.008 8.238 -0.230 1
1 48 . 18 1 1 A 6 6 LYS CA C 6 55.401 58.556 -3.155 1
1 49 . 18 1 1 A 6 6 LYS HA H 6 4.381 4.123 0.258 1
1 50 . 18 1 1 A 6 6 LYS CB C 6 33.225 32.257 0.968 1
1 62 . 18 1 1 A 6 6 LYS C C 6 175.948 176.353 -0.405 1
1 63 . 18 1 1 A 7 7 GLU N N 7 122.488 119.237 3.251 1
1 64 . 18 1 1 A 7 7 GLU H H 7 8.577 7.756 0.821 1
1 65 . 18 1 1 A 7 7 GLU CA C 7 55.690 56.318 -0.628 1
1 66 . 18 1 1 A 7 7 GLU HA H 7 4.495 4.635 -0.140 1
1 67 . 18 1 1 A 7 7 GLU CB C 7 30.382 31.351 -0.969 1
1 73 . 18 1 1 A 7 7 GLU C C 7 174.109 174.221 -0.112 1
1 74 . 18 1 1 A 8 8 LEU N N 8 123.063 127.141 -4.078 1
1 75 . 18 1 1 A 8 8 LEU H H 8 8.485 8.945 -0.460 1
1 76 . 18 1 1 A 8 8 LEU CA C 8 53.331 53.422 -0.091 1
1 77 . 18 1 1 A 8 8 LEU HA H 8 5.381 5.163 0.218 1
1 78 . 18 1 1 A 8 8 LEU CB C 8 45.077 45.260 -0.183 1
1 91 . 18 1 1 A 8 8 LEU C C 8 177.344 176.008 1.336 1
1 92 . 18 1 1 A 9 9 VAL N N 9 111.683 117.432 -5.749 1
1 93 . 18 1 1 A 9 9 VAL H H 9 9.111 9.226 -0.115 1
1 94 . 18 1 1 A 9 9 VAL CA C 9 57.854 58.924 -1.070 1
1 95 . 18 1 1 A 9 9 VAL HA H 9 5.214 4.887 0.327 1
1 96 . 18 1 1 A 9 9 VAL CB C 9 35.864 35.664 0.200 1
1 106 . 18 1 1 A 9 9 VAL C C 9 172.404 173.763 -1.359 1
1 107 . 18 1 1 A 10 10 LEU N N 10 123.366 125.974 -2.608 1
1 108 . 18 1 1 A 10 10 LEU H H 10 8.971 9.341 -0.370 1
1 109 . 18 1 1 A 10 10 LEU CA C 10 52.445 53.310 -0.865 1
1 110 . 18 1 1 A 10 10 LEU HA H 10 5.100 5.210 -0.110 1
1 111 . 18 1 1 A 10 10 LEU CB C 10 46.711 44.858 1.853 1
1 124 . 18 1 1 A 10 10 LEU C C 10 176.568 175.241 1.327 1
1 125 . 18 1 1 A 11 11 ALA N N 11 127.241 128.989 -1.748 1
1 126 . 18 1 1 A 11 11 ALA H H 11 9.160 9.018 0.142 1
1 127 . 18 1 1 A 11 11 ALA CA C 11 52.416 51.163 1.253 1
1 128 . 18 1 1 A 11 11 ALA HA H 11 4.610 4.501 0.109 1
1 132 . 18 1 1 A 11 11 ALA CB C 11 19.051 18.840 0.211 1
1 133 . 18 1 1 A 11 11 ALA C C 11 178.252 177.680 0.572 1
1 134 . 18 1 1 A 12 12 LEU N N 12 127.842 126.287 1.555 1
1 135 . 18 1 1 A 12 12 LEU H H 12 9.257 8.804 0.453 1
1 136 . 18 1 1 A 12 12 LEU CA C 12 55.585 57.277 -1.692 1
1 137 . 18 1 1 A 12 12 LEU HA H 12 3.884 4.035 -0.151 1
1 138 . 18 1 1 A 12 12 LEU CB C 12 43.192 42.415 0.777 1
1 151 . 18 1 1 A 12 12 LEU C C 12 174.951 176.700 -1.749 1
1 152 . 18 1 1 A 13 13 TYR N N 13 111.673 115.272 -3.599 1
1 153 . 18 1 1 A 13 13 TYR H H 13 7.129 7.640 -0.511 1
1 154 . 18 1 1 A 13 13 TYR CA C 13 54.530 56.341 -1.811 1
1 155 . 18 1 1 A 13 13 TYR HA H 13 4.617 4.994 -0.377 1
1 156 . 18 1 1 A 13 13 TYR CB C 13 42.982 40.652 2.330 1
1 167 . 18 1 1 A 13 13 TYR C C 13 173.600 175.817 -2.217 1
1 168 . 18 1 1 A 14 14 ASP N N 14 117.888 123.392 -5.504 1
1 169 . 18 1 1 A 14 14 ASP H H 14 8.328 8.641 -0.313 1
1 170 . 18 1 1 A 14 14 ASP CA C 14 54.527 54.380 0.147 1
1 171 . 18 1 1 A 14 14 ASP HA H 14 4.615 4.603 0.012 1
1 172 . 18 1 1 A 14 14 ASP CB C 14 41.351 41.439 -0.088 1
1 175 . 18 1 1 A 14 14 ASP C C 14 176.125 175.342 0.783 1
1 176 . 18 1 1 A 15 15 TYR N N 15 120.102 121.485 -1.383 1
1 177 . 18 1 1 A 15 15 TYR H H 15 8.733 8.956 -0.223 1
1 178 . 18 1 1 A 15 15 TYR CA C 15 59.669 57.611 2.058 1
1 179 . 18 1 1 A 15 15 TYR HA H 15 4.662 5.153 -0.491 1
1 180 . 18 1 1 A 15 15 TYR CB C 15 43.400 42.198 1.202 1
1 191 . 18 1 1 A 15 15 TYR C C 15 172.803 173.667 -0.864 1
1 192 . 18 1 1 A 16 16 GLN N N 16 126.945 122.122 4.823 1
1 193 . 18 1 1 A 16 16 GLN H H 16 7.546 7.877 -0.331 1
1 194 . 18 1 1 A 16 16 GLN CA C 16 53.820 54.551 -0.731 1
1 195 . 18 1 1 A 16 16 GLN HA H 16 4.500 5.021 -0.521 1
1 196 . 18 1 1 A 16 16 GLN CB C 16 29.378 30.327 -0.949 1
1 202 . 18 1 1 A 16 16 GLN C C 16 173.910 174.754 -0.844 1
1 203 . 18 1 1 A 17 17 GLU N N 17 123.035 125.276 -2.241 1
1 204 . 18 1 1 A 17 17 GLU H H 17 7.930 8.859 -0.929 1
1 205 . 18 1 1 A 17 17 GLU CA C 17 56.078 56.790 -0.712 1
1 206 . 18 1 1 A 17 17 GLU HA H 17 4.211 4.229 -0.018 1
1 207 . 18 1 1 A 17 17 GLU CB C 17 29.520 30.210 -0.690 1
1 213 . 18 1 1 A 17 17 GLU C C 17 175.926 177.088 -1.162 1
1 214 . 18 1 1 A 18 18 LYS N N 18 120.770 119.203 1.567 1
1 215 . 18 1 1 A 18 18 LYS H H 18 8.801 8.825 -0.024 1
1 216 . 18 1 1 A 18 18 LYS CA C 18 55.164 55.929 -0.765 1
1 217 . 18 1 1 A 18 18 LYS HA H 18 4.424 4.635 -0.211 1
1 218 . 18 1 1 A 18 18 LYS CB C 18 33.328 33.918 -0.590 1
1 230 . 18 1 1 A 18 18 LYS C C 18 176.192 176.343 -0.151 1
1 231 . 18 1 1 A 19 19 SER N N 19 114.841 114.914 -0.073 1
1 232 . 18 1 1 A 19 19 SER H H 19 7.619 7.741 -0.122 1
1 233 . 18 1 1 A 19 19 SER CA C 19 56.678 55.697 0.981 1
1 234 . 18 1 1 A 19 19 SER HA H 19 4.863 4.976 -0.113 1
1 235 . 18 1 1 A 19 19 SER CB C 19 64.060 65.576 -1.516 1
1 239 . 18 1 1 A 20 20 PRO CA C 20 64.803 64.601 0.202 1
1 240 . 18 1 1 A 20 20 PRO HA H 20 4.549 4.484 0.065 1
1 241 . 18 1 1 A 20 20 PRO CB C 20 31.894 32.086 -0.192 1
1 249 . 18 1 1 A 20 20 PRO C C 20 176.679 177.587 -0.908 1
1 250 . 18 1 1 A 21 21 ARG N N 21 113.864 116.119 -2.255 1
1 251 . 18 1 1 A 21 21 ARG H H 21 7.687 8.442 -0.755 1
1 252 . 18 1 1 A 21 21 ARG CA C 21 56.119 57.836 -1.717 1
1 253 . 18 1 1 A 21 21 ARG HA H 21 4.598 4.285 0.313 1
1 254 . 18 1 1 A 21 21 ARG CB C 21 30.299 30.118 0.181 1
1 263 . 18 1 1 A 21 21 ARG C C 21 176.369 176.330 0.039 1
1 264 . 18 1 1 A 22 22 GLU N N 22 121.539 121.021 0.518 1
1 265 . 18 1 1 A 22 22 GLU H H 22 7.842 7.812 0.030 1
1 266 . 18 1 1 A 22 22 GLU CA C 22 54.951 56.312 -1.361 1
1 267 . 18 1 1 A 22 22 GLU HA H 22 5.484 4.629 0.855 1
1 268 . 18 1 1 A 22 22 GLU CB C 22 33.535 31.064 2.471 1
1 274 . 18 1 1 A 22 22 GLU C C 22 174.375 175.892 -1.517 1
1 275 . 18 1 1 A 23 23 VAL N N 23 111.923 119.382 -7.459 1
1 276 . 18 1 1 A 23 23 VAL H H 23 7.373 8.929 -1.556 1
1 277 . 18 1 1 A 23 23 VAL CA C 23 59.570 59.978 -0.408 1
1 278 . 18 1 1 A 23 23 VAL HA H 23 4.531 5.333 -0.802 1
1 279 . 18 1 1 A 23 23 VAL CB C 23 34.667 35.737 -1.070 1
1 289 . 18 1 1 A 23 23 VAL C C 23 172.625 173.925 -1.300 1
1 290 . 18 1 1 A 24 24 THR N N 24 117.656 115.551 2.105 1
1 291 . 18 1 1 A 24 24 THR H H 24 7.112 8.847 -1.735 1
1 292 . 18 1 1 A 24 24 THR CA C 24 61.994 60.672 1.322 1
1 293 . 18 1 1 A 24 24 THR HA H 24 5.119 5.159 -0.040 1
1 294 . 18 1 1 A 24 24 THR CB C 24 71.220 70.505 0.715 1
1 300 . 18 1 1 A 24 24 THR C C 24 174.309 172.370 1.939 1
1 301 . 18 1 1 A 25 25 MET N N 25 122.056 121.338 0.718 1
1 302 . 18 1 1 A 25 25 MET H H 25 9.515 8.904 0.611 1
1 303 . 18 1 1 A 25 25 MET CA C 25 54.247 54.074 0.173 1
1 304 . 18 1 1 A 25 25 MET HA H 25 4.935 5.079 -0.144 1
1 305 . 18 1 1 A 25 25 MET CB C 25 36.287 35.635 0.652 1
1 312 . 18 1 1 A 25 25 MET C C 25 173.777 173.628 0.149 1
1 313 . 18 1 1 A 26 26 LYS N N 26 124.668 118.410 6.258 1
1 314 . 18 1 1 A 26 26 LYS H H 26 8.949 8.575 0.374 1
1 315 . 18 1 1 A 26 26 LYS CA C 26 53.476 54.098 -0.622 1
1 316 . 18 1 1 A 26 26 LYS HA H 26 4.896 4.881 0.015 1
1 317 . 18 1 1 A 26 26 LYS CB C 26 34.097 35.821 -1.724 1
1 327 . 18 1 1 A 26 26 LYS C C 26 174.929 176.471 -1.542 1
1 328 . 18 1 1 A 27 27 LYS N N 27 122.567 121.984 0.583 1
1 329 . 18 1 1 A 27 27 LYS H H 27 9.061 8.704 0.357 1
1 330 . 18 1 1 A 27 27 LYS CA C 27 58.539 58.837 -0.298 1
1 331 . 18 1 1 A 27 27 LYS HA H 27 4.656 3.773 0.883 1
1 332 . 18 1 1 A 27 27 LYS CB C 27 32.202 32.185 0.017 1
1 344 . 18 1 1 A 27 27 LYS C C 27 177.344 177.463 -0.119 1
1 345 . 18 1 1 A 28 28 GLY N N 28 115.884 112.516 3.368 1
1 346 . 18 1 1 A 28 28 GLY H H 28 8.900 9.268 -0.368 1
1 347 . 18 1 1 A 28 28 GLY CA C 28 44.779 45.500 -0.721 1
1 348 . 18 1 1 A 28 28 GLY HA2 H 28 3.523 3.893 -0.370 1
1 349 . 18 1 1 A 28 28 GLY HA3 H 28 4.469 3.898 0.571 1
1 350 . 18 1 1 A 28 28 GLY C C 28 174.021 173.868 0.153 1
1 351 . 18 1 1 A 29 29 ASP N N 29 122.466 121.427 1.039 1
1 352 . 18 1 1 A 29 29 ASP H H 29 8.513 8.196 0.317 1
1 353 . 18 1 1 A 29 29 ASP CA C 29 55.711 53.715 1.996 1
1 354 . 18 1 1 A 29 29 ASP HA H 29 4.523 4.815 -0.292 1
1 355 . 18 1 1 A 29 29 ASP CB C 29 41.361 42.604 -1.243 1
1 358 . 18 1 1 A 29 29 ASP C C 29 174.331 175.699 -1.368 1
1 359 . 18 1 1 A 30 30 ILE N N 30 120.470 123.159 -2.689 1
1 360 . 18 1 1 A 30 30 ILE H H 30 8.204 8.447 -0.243 1
1 361 . 18 1 1 A 30 30 ILE CA C 30 60.164 60.312 -0.148 1
1 362 . 18 1 1 A 30 30 ILE HA H 30 5.025 5.340 -0.315 1
1 363 . 18 1 1 A 30 30 ILE CB C 30 38.257 41.207 -2.950 1
1 372 . 18 1 1 A 30 30 ILE C C 30 176.236 175.021 1.215 1
1 373 . 18 1 1 A 31 31 LEU N N 31 128.265 126.411 1.854 1
1 374 . 18 1 1 A 31 31 LEU H H 31 9.353 8.870 0.483 1
1 375 . 18 1 1 A 31 31 LEU CA C 31 53.601 53.761 -0.160 1
1 376 . 18 1 1 A 31 31 LEU HA H 31 4.998 5.130 -0.132 1
1 377 . 18 1 1 A 31 31 LEU CB C 31 43.893 45.807 -1.914 1
1 388 . 18 1 1 A 31 31 LEU C C 31 175.638 175.749 -0.111 1
1 389 . 18 1 1 A 32 32 THR N N 32 117.089 120.336 -3.247 1
1 390 . 18 1 1 A 32 32 THR H H 32 8.141 8.813 -0.672 1
1 391 . 18 1 1 A 32 32 THR CA C 32 63.263 62.595 0.668 1
1 392 . 18 1 1 A 32 32 THR HA H 32 4.619 4.610 0.009 1
1 393 . 18 1 1 A 32 32 THR CB C 32 69.867 69.283 0.584 1
1 399 . 18 1 1 A 32 32 THR C C 32 173.600 174.251 -0.651 1
1 400 . 18 1 1 A 33 33 LEU N N 33 129.212 128.359 0.853 1
1 401 . 18 1 1 A 33 33 LEU H H 33 9.070 8.744 0.326 1
1 402 . 18 1 1 A 33 33 LEU CA C 33 54.671 55.844 -1.173 1
1 403 . 18 1 1 A 33 33 LEU HA H 33 4.356 4.365 -0.009 1
1 404 . 18 1 1 A 33 33 LEU CB C 33 42.968 42.474 0.494 1
1 417 . 18 1 1 A 33 33 LEU C C 33 174.553 175.956 -1.403 1
1 418 . 18 1 1 A 34 34 LEU N N 34 125.880 127.587 -1.707 1
1 419 . 18 1 1 A 34 34 LEU H H 34 9.051 9.331 -0.280 1
1 420 . 18 1 1 A 34 34 LEU CA C 34 54.811 55.880 -1.069 1
1 421 . 18 1 1 A 34 34 LEU HA H 34 4.532 4.457 0.075 1
1 422 . 18 1 1 A 34 34 LEU CB C 34 42.977 43.411 -0.434 1
1 434 . 18 1 1 A 34 34 LEU C C 34 177.477 176.650 0.827 1
1 435 . 18 1 1 A 35 35 ASN N N 35 113.971 115.732 -1.761 1
1 436 . 18 1 1 A 35 35 ASN H H 35 7.600 7.742 -0.142 1
1 437 . 18 1 1 A 35 35 ASN CA C 35 54.543 53.190 1.353 1
1 438 . 18 1 1 A 35 35 ASN HA H 35 4.680 5.070 -0.390 1
1 439 . 18 1 1 A 35 35 ASN CB C 35 40.958 41.995 -1.037 1
1 443 . 18 1 1 A 35 35 ASN C C 35 174.375 174.204 0.171 1
1 444 . 18 1 1 A 36 36 SER N N 36 123.815 116.473 7.342 1
1 445 . 18 1 1 A 36 36 SER H H 36 9.194 8.486 0.708 1
1 446 . 18 1 1 A 36 36 SER CA C 36 56.692 56.479 0.213 1
1 447 . 18 1 1 A 36 36 SER HA H 36 3.921 4.844 -0.923 1
1 448 . 18 1 1 A 36 36 SER CB C 36 62.180 62.586 -0.406 1
1 451 . 18 1 1 A 36 36 SER C C 36 173.401 175.380 -1.979 1
1 452 . 18 1 1 A 37 37 THR N N 37 115.041 115.627 -0.586 1
1 453 . 18 1 1 A 37 37 THR H H 37 8.178 7.748 0.430 1
1 454 . 18 1 1 A 37 37 THR CA C 37 65.484 64.494 0.990 1
1 455 . 18 1 1 A 37 37 THR HA H 37 4.528 4.178 0.350 1
1 456 . 18 1 1 A 37 37 THR CB C 37 69.416 69.181 0.235 1
1 462 . 18 1 1 A 37 37 THR C C 37 175.261 174.255 1.006 1
1 463 . 18 1 1 A 38 38 ASN N N 38 122.494 119.426 3.068 1
1 464 . 18 1 1 A 38 38 ASN H H 38 8.674 8.022 0.652 1
1 465 . 18 1 1 A 38 38 ASN CA C 38 53.188 51.476 1.712 1
1 466 . 18 1 1 A 38 38 ASN HA H 38 4.863 5.166 -0.303 1
1 467 . 18 1 1 A 38 38 ASN CB C 38 40.525 41.590 -1.065 1
1 470 . 18 1 1 A 38 38 ASN C C 38 174.575 175.652 -1.077 1
1 471 . 18 1 1 A 39 39 LYS N N 39 120.915 121.659 -0.744 1
1 472 . 18 1 1 A 39 39 LYS H H 39 8.510 8.517 -0.007 1
1 473 . 18 1 1 A 39 39 LYS CA C 39 58.333 57.034 1.299 1
1 474 . 18 1 1 A 39 39 LYS HA H 39 4.247 4.880 -0.633 1
1 475 . 18 1 1 A 39 39 LYS CB C 39 32.520 34.269 -1.749 1
1 485 . 18 1 1 A 39 39 LYS C C 39 176.236 177.931 -1.695 1
1 486 . 18 1 1 A 40 40 ASP N N 40 114.628 118.179 -3.551 1
1 487 . 18 1 1 A 40 40 ASP H H 40 8.173 7.872 0.301 1
1 488 . 18 1 1 A 40 40 ASP CA C 40 55.380 56.114 -0.734 1
1 489 . 18 1 1 A 40 40 ASP HA H 40 4.544 4.250 0.294 1
1 490 . 18 1 1 A 40 40 ASP CB C 40 43.415 41.767 1.648 1
1 493 . 18 1 1 A 40 40 ASP C C 40 176.967 175.445 1.522 1
1 494 . 18 1 1 A 41 41 TRP N N 41 122.703 114.983 7.720 1
1 495 . 18 1 1 A 41 41 TRP H H 41 8.209 7.705 0.504 1
1 496 . 18 1 1 A 41 41 TRP CA C 41 56.184 55.838 0.346 1
1 497 . 18 1 1 A 41 41 TRP HA H 41 5.075 5.367 -0.292 1
1 498 . 18 1 1 A 41 41 TRP CB C 41 32.019 33.226 -1.207 1
1 513 . 18 1 1 A 41 41 TRP C C 41 174.176 175.587 -1.411 1
1 514 . 18 1 1 A 42 42 TRP N N 42 124.895 123.535 1.360 1
1 515 . 18 1 1 A 42 42 TRP H H 42 9.366 9.065 0.301 1
1 516 . 18 1 1 A 42 42 TRP CA C 42 54.076 55.744 -1.668 1
1 517 . 18 1 1 A 42 42 TRP HA H 42 5.523 5.461 0.062 1
1 518 . 18 1 1 A 42 42 TRP CB C 42 31.447 31.818 -0.371 1
1 533 . 18 1 1 A 42 42 TRP C C 42 174.109 175.384 -1.275 1
1 534 . 18 1 1 A 43 43 LYS N N 43 124.120 124.481 -0.361 1
1 535 . 18 1 1 A 43 43 LYS H H 43 8.883 9.059 -0.176 1
1 536 . 18 1 1 A 43 43 LYS CA C 43 55.158 55.367 -0.209 1
1 537 . 18 1 1 A 43 43 LYS HA H 43 4.368 4.843 -0.475 1
1 538 . 18 1 1 A 43 43 LYS CB C 43 33.794 33.383 0.411 1
1 550 . 18 1 1 A 43 43 LYS C C 43 175.416 176.058 -0.642 1
1 551 . 18 1 1 A 44 44 VAL N N 44 122.055 121.098 0.957 1
1 552 . 18 1 1 A 44 44 VAL H H 44 9.427 9.028 0.399 1
1 553 . 18 1 1 A 44 44 VAL CA C 44 58.825 58.948 -0.123 1
1 554 . 18 1 1 A 44 44 VAL HA H 44 5.375 5.209 0.166 1
1 555 . 18 1 1 A 44 44 VAL CB C 44 36.593 35.115 1.478 1
1 565 . 18 1 1 A 44 44 VAL C C 44 173.223 173.496 -0.273 1
1 566 . 18 1 1 A 45 45 GLU N N 45 118.673 122.441 -3.768 1
1 567 . 18 1 1 A 45 45 GLU H H 45 8.733 8.992 -0.259 1
1 568 . 18 1 1 A 45 45 GLU CA C 45 54.249 54.787 -0.538 1
1 569 . 18 1 1 A 45 45 GLU HA H 45 5.432 5.070 0.362 1
1 570 . 18 1 1 A 45 45 GLU CB C 45 33.286 32.988 0.298 1
1 576 . 18 1 1 A 45 45 GLU C C 45 174.774 175.624 -0.850 1
1 577 . 18 1 1 A 46 46 VAL N N 46 123.551 121.479 2.072 1
1 578 . 18 1 1 A 46 46 VAL H H 46 9.058 9.317 -0.259 1
1 579 . 18 1 1 A 46 46 VAL CA C 46 59.627 59.358 0.269 1
1 580 . 18 1 1 A 46 46 VAL HA H 46 4.669 5.121 -0.452 1
1 581 . 18 1 1 A 46 46 VAL CB C 46 35.290 34.820 0.470 1
1 590 . 18 1 1 A 46 46 VAL C C 46 173.534 175.090 -1.556 1
1 591 . 18 1 1 A 47 47 LYS N N 47 124.992 120.984 4.008 1
1 592 . 18 1 1 A 47 47 LYS H H 47 8.446 8.368 0.078 1
1 593 . 18 1 1 A 47 47 LYS CA C 47 55.905 54.449 1.456 1
1 594 . 18 1 1 A 47 47 LYS HA H 47 4.763 4.971 -0.208 1
1 595 . 18 1 1 A 47 47 LYS CB C 47 33.450 35.632 -2.182 1
1 605 . 18 1 1 A 47 47 LYS C C 47 175.306 175.169 0.137 1
1 606 . 18 1 1 A 48 48 ALA N N 48 128.781 122.978 5.803 1
1 607 . 18 1 1 A 48 48 ALA H H 48 8.757 8.621 0.136 1
1 608 . 18 1 1 A 48 48 ALA CA C 48 50.828 50.395 0.433 1
1 609 . 18 1 1 A 48 48 ALA HA H 48 4.616 4.990 -0.374 1
1 613 . 18 1 1 A 48 48 ALA CB C 48 21.741 22.375 -0.634 1
1 614 . 18 1 1 A 48 48 ALA C C 48 175.173 175.531 -0.358 1
1 615 . 18 1 1 A 49 49 THR N N 49 113.585 115.794 -2.209 1
1 616 . 18 1 1 A 49 49 THR H H 49 8.333 8.378 -0.045 1
1 617 . 18 1 1 A 49 49 THR CA C 49 60.826 60.935 -0.109 1
1 618 . 18 1 1 A 49 49 THR HA H 49 5.257 5.394 -0.137 1
1 619 . 18 1 1 A 49 49 THR CB C 49 71.045 70.865 0.180 1
1 624 . 18 1 1 A 49 49 THR C C 49 174.176 173.352 0.824 1
1 625 . 18 1 1 A 50 50 ALA N N 50 127.142 126.638 0.504 1
1 626 . 18 1 1 A 50 50 ALA H H 50 8.914 8.710 0.204 1
1 627 . 18 1 1 A 50 50 ALA CA C 50 52.345 51.451 0.894 1
1 628 . 18 1 1 A 50 50 ALA HA H 50 4.603 4.651 -0.048 1
1 632 . 18 1 1 A 50 50 ALA CB C 50 20.935 22.789 -1.854 1
1 633 . 18 1 1 A 50 50 ALA C C 50 177.299 177.049 0.250 1
1 634 . 18 1 1 A 51 51 ASN N N 51 121.555 120.631 0.924 1
1 635 . 18 1 1 A 51 51 ASN H H 51 9.491 9.183 0.308 1
1 636 . 18 1 1 A 51 51 ASN CA C 51 54.177 53.949 0.228 1
1 637 . 18 1 1 A 51 51 ASN HA H 51 4.389 4.508 -0.119 1
1 638 . 18 1 1 A 51 51 ASN CB C 51 37.413 36.289 1.124 1
1 641 . 18 1 1 A 51 51 ASN C C 51 175.106 175.216 -0.110 1
1 642 . 18 1 1 A 52 52 GLY N N 52 103.942 107.812 -3.870 1
1 643 . 18 1 1 A 52 52 GLY H H 52 8.681 8.686 -0.005 1
1 644 . 18 1 1 A 52 52 GLY CA C 52 45.443 46.727 -1.284 1
1 645 . 18 1 1 A 52 52 GLY HA2 H 52 3.624 3.925 -0.301 1
1 646 . 18 1 1 A 52 52 GLY HA3 H 52 4.143 3.926 0.217 1
1 647 . 18 1 1 A 52 52 GLY C C 52 173.666 173.948 -0.282 1
1 648 . 18 1 1 A 53 53 LYS N N 53 121.213 119.304 1.909 1
1 649 . 18 1 1 A 53 53 LYS H H 53 7.893 7.829 0.064 1
1 650 . 18 1 1 A 53 53 LYS CA C 53 54.807 54.297 0.510 1
1 651 . 18 1 1 A 53 53 LYS HA H 53 4.727 4.891 -0.164 1
1 652 . 18 1 1 A 53 53 LYS CB C 53 34.737 36.225 -1.488 1
1 664 . 18 1 1 A 53 53 LYS C C 53 175.239 175.045 0.194 1
1 665 . 18 1 1 A 54 54 THR N N 54 118.501 114.424 4.077 1
1 666 . 18 1 1 A 54 54 THR H H 54 8.498 8.922 -0.424 1
1 667 . 18 1 1 A 54 54 THR CA C 54 61.925 60.811 1.114 1
1 668 . 18 1 1 A 54 54 THR HA H 54 5.117 5.523 -0.406 1
1 669 . 18 1 1 A 54 54 THR CB C 54 70.294 70.616 -0.322 1
1 675 . 18 1 1 A 54 54 THR C C 54 173.733 173.817 -0.084 1
1 676 . 18 1 1 A 55 55 TYR N N 55 125.105 119.989 5.116 1
1 677 . 18 1 1 A 55 55 TYR H H 55 9.122 8.871 0.251 1
1 678 . 18 1 1 A 55 55 TYR CA C 55 56.149 55.263 0.886 1
1 679 . 18 1 1 A 55 55 TYR HA H 55 4.857 5.523 -0.666 1
1 680 . 18 1 1 A 55 55 TYR CB C 55 40.090 42.217 -2.127 1
1 691 . 18 1 1 A 55 55 TYR C C 55 172.847 172.714 0.133 1
1 692 . 18 1 1 A 56 56 GLU N N 56 119.744 120.525 -0.781 1
1 693 . 18 1 1 A 56 56 GLU H H 56 8.503 8.879 -0.376 1
1 694 . 18 1 1 A 56 56 GLU CA C 56 54.739 54.929 -0.190 1
1 695 . 18 1 1 A 56 56 GLU HA H 56 5.030 5.338 -0.308 1
1 696 . 18 1 1 A 56 56 GLU CB C 56 30.297 33.026 -2.729 1
1 701 . 18 1 1 A 56 56 GLU C C 56 175.394 176.072 -0.678 1
1 702 . 18 1 1 A 57 57 ARG N N 57 123.665 120.624 3.041 1
1 703 . 18 1 1 A 57 57 ARG H H 57 8.897 9.147 -0.250 1
1 704 . 18 1 1 A 57 57 ARG CA C 57 54.944 54.374 0.570 1
1 705 . 18 1 1 A 57 57 ARG HA H 57 4.663 5.060 -0.397 1
1 706 . 18 1 1 A 57 57 ARG CB C 57 33.471 33.976 -0.505 1
1 713 . 18 1 1 A 57 57 ARG C C 57 174.198 174.403 -0.205 1
1 714 . 18 1 1 A 58 58 GLN N N 58 119.967 121.562 -1.595 1
1 715 . 18 1 1 A 58 58 GLN H H 58 8.604 8.540 0.064 1
1 716 . 18 1 1 A 58 58 GLN CA C 58 53.394 54.728 -1.334 1
1 717 . 18 1 1 A 58 58 GLN HA H 58 5.602 5.015 0.587 1
1 718 . 18 1 1 A 58 58 GLN CB C 58 31.229 30.302 0.927 1
1 724 . 18 1 1 A 58 58 GLN C C 58 175.771 175.692 0.079 1
1 725 . 18 1 1 A 59 59 GLY N N 59 107.507 108.892 -1.385 1
1 726 . 18 1 1 A 59 59 GLY H H 59 8.652 8.861 -0.209 1
1 727 . 18 1 1 A 59 59 GLY CA C 59 45.583 45.399 0.184 1
1 728 . 18 1 1 A 59 59 GLY HA2 H 59 3.947 4.228 -0.281 1
1 729 . 18 1 1 A 59 59 GLY HA3 H 59 3.947 4.344 -0.397 1
1 730 . 18 1 1 A 59 59 GLY C C 59 170.255 171.750 -1.495 1
1 731 . 18 1 1 A 60 60 PHE N N 60 119.079 119.325 -0.246 1
1 732 . 18 1 1 A 60 60 PHE H H 60 9.153 8.718 0.435 1
1 733 . 18 1 1 A 60 60 PHE CA C 60 58.544 56.478 2.066 1
1 734 . 18 1 1 A 60 60 PHE HA H 60 5.666 5.793 -0.127 1
1 735 . 18 1 1 A 60 60 PHE CB C 60 42.484 41.943 0.541 1
1 748 . 18 1 1 A 60 60 PHE C C 60 175.461 175.448 0.013 1
1 749 . 18 1 1 A 61 61 VAL N N 61 110.995 116.952 -5.957 1
1 750 . 18 1 1 A 61 61 VAL H H 61 9.065 9.194 -0.129 1
1 751 . 18 1 1 A 61 61 VAL CA C 61 58.189 58.213 -0.024 1
1 752 . 18 1 1 A 61 61 VAL HA H 61 4.823 5.066 -0.243 1
1 753 . 18 1 1 A 61 61 VAL CB C 61 33.521 34.158 -0.637 1
1 764 . 18 1 1 A 62 62 PRO CA C 62 61.852 61.901 -0.049 1
1 765 . 18 1 1 A 62 62 PRO HA H 62 3.556 3.730 -0.174 1
1 766 . 18 1 1 A 62 62 PRO CB C 62 29.777 30.737 -0.960 1
1 774 . 18 1 1 A 62 62 PRO C C 62 177.787 177.313 0.474 1
1 775 . 18 1 1 A 63 63 ALA N N 63 129.142 127.674 1.468 1
1 776 . 18 1 1 A 63 63 ALA H H 63 7.477 7.998 -0.521 1
1 777 . 18 1 1 A 63 63 ALA CA C 63 54.472 53.501 0.971 1
1 778 . 18 1 1 A 63 63 ALA HA H 63 2.652 3.039 -0.387 1
1 782 . 18 1 1 A 63 63 ALA CB C 63 15.666 17.093 -1.427 1
1 783 . 18 1 1 A 63 63 ALA C C 63 178.429 178.351 0.078 1
1 784 . 18 1 1 A 64 64 ALA N N 64 113.522 119.095 -5.573 1
1 785 . 18 1 1 A 64 64 ALA H H 64 7.867 7.083 0.784 1
1 786 . 18 1 1 A 64 64 ALA CA C 64 52.768 54.072 -1.304 1
1 787 . 18 1 1 A 64 64 ALA HA H 64 4.006 3.881 0.125 1
1 791 . 18 1 1 A 64 64 ALA CB C 64 17.629 17.863 -0.234 1
1 792 . 18 1 1 A 64 64 ALA C C 64 178.097 178.143 -0.046 1
1 793 . 18 1 1 A 65 65 TYR N N 65 116.109 116.317 -0.208 1
1 794 . 18 1 1 A 65 65 TYR H H 65 7.698 7.595 0.103 1
1 795 . 18 1 1 A 65 65 TYR CA C 65 56.328 58.930 -2.602 1
1 796 . 18 1 1 A 65 65 TYR HA H 65 4.758 4.823 -0.065 1
1 797 . 18 1 1 A 65 65 TYR CB C 65 37.765 40.152 -2.387 1
1 808 . 18 1 1 A 65 65 TYR C C 65 174.375 175.705 -1.330 1
1 809 . 18 1 1 A 66 66 VAL N N 66 111.053 114.684 -3.631 1
1 810 . 18 1 1 A 66 66 VAL H H 66 7.415 7.194 0.221 1
1 811 . 18 1 1 A 66 66 VAL CA C 66 58.119 59.291 -1.172 1
1 812 . 18 1 1 A 66 66 VAL HA H 66 5.538 5.130 0.408 1
1 813 . 18 1 1 A 66 66 VAL CB C 66 35.809 34.702 1.107 1
1 823 . 18 1 1 A 66 66 VAL C C 66 173.511 174.233 -0.722 1
1 824 . 18 1 1 A 67 67 LYS N N 67 118.588 123.186 -4.598 1
1 825 . 18 1 1 A 67 67 LYS H H 67 8.631 8.792 -0.161 1
1 826 . 18 1 1 A 67 67 LYS CA C 67 54.035 54.914 -0.879 1
1 827 . 18 1 1 A 67 67 LYS HA H 67 4.830 5.227 -0.397 1
1 828 . 18 1 1 A 67 67 LYS CB C 67 36.779 36.525 0.254 1
1 838 . 18 1 1 A 67 67 LYS C C 67 175.992 175.290 0.702 1
1 839 . 18 1 1 A 68 68 LYS N N 68 125.838 125.792 0.046 1
1 840 . 18 1 1 A 68 68 LYS H H 68 9.227 8.693 0.534 1
1 841 . 18 1 1 A 68 68 LYS CA C 68 58.335 57.165 1.170 1
1 842 . 18 1 1 A 68 68 LYS HA H 68 4.494 4.292 0.202 1
1 843 . 18 1 1 A 68 68 LYS CB C 68 32.893 33.120 -0.227 1
1 853 . 18 1 1 A 68 68 LYS C C 68 176.657 177.813 -1.156 1
1 854 . 18 1 1 A 69 69 LEU N N 69 125.443 121.516 3.927 1
1 855 . 18 1 1 A 69 69 LEU H H 69 8.449 8.748 -0.299 1
1 856 . 18 1 1 A 69 69 LEU CA C 69 54.873 56.285 -1.412 1
1 857 . 18 1 1 A 69 69 LEU HA H 69 4.437 4.190 0.247 1
1 858 . 18 1 1 A 69 69 LEU CB C 69 42.345 41.632 0.713 1
1 871 . 18 1 1 A 69 69 LEU C C 69 176.147 177.065 -0.918 1
1 10 . 19 1 1 A 2 2 ASP N N 2 123.485 124.314 -0.829 1
1 11 . 19 1 1 A 2 2 ASP H H 2 8.809 8.933 -0.124 1
1 12 . 19 1 1 A 2 2 ASP CA C 2 54.244 53.859 0.385 1
1 13 . 19 1 1 A 2 2 ASP HA H 2 4.673 4.890 -0.217 1
1 14 . 19 1 1 A 2 2 ASP CB C 2 40.452 41.368 -0.916 1
1 17 . 19 1 1 A 2 2 ASP C C 2 175.771 175.182 0.589 1
1 18 . 19 1 1 A 3 3 GLU N N 3 121.725 116.360 5.365 1
1 19 . 19 1 1 A 3 3 GLU H H 3 8.684 7.931 0.753 1
1 20 . 19 1 1 A 3 3 GLU CA C 3 56.162 54.665 1.497 1
1 21 . 19 1 1 A 3 3 GLU HA H 3 4.392 5.152 -0.760 1
1 22 . 19 1 1 A 3 3 GLU CB C 3 29.170 33.484 -4.314 1
1 28 . 19 1 1 A 3 3 GLU C C 3 176.546 174.921 1.625 1
1 29 . 19 1 1 A 4 4 THR N N 4 114.384 114.382 0.002 1
1 30 . 19 1 1 A 4 4 THR H H 4 8.303 8.497 -0.194 1
1 31 . 19 1 1 A 4 4 THR CA C 4 62.347 60.821 1.526 1
1 32 . 19 1 1 A 4 4 THR HA H 4 4.278 4.729 -0.451 1
1 33 . 19 1 1 A 4 4 THR CB C 4 69.672 71.371 -1.699 1
1 39 . 19 1 1 A 4 4 THR C C 4 175.306 174.851 0.455 1
1 40 . 19 1 1 A 5 5 GLY N N 5 111.296 115.485 -4.189 1
1 41 . 19 1 1 A 5 5 GLY H H 5 8.422 8.979 -0.557 1
1 42 . 19 1 1 A 5 5 GLY CA C 5 45.302 47.472 -2.170 1
1 43 . 19 1 1 A 5 5 GLY HA2 H 5 3.928 3.848 0.080 1
1 44 . 19 1 1 A 5 5 GLY HA3 H 5 3.928 3.849 0.079 1
1 45 . 19 1 1 A 5 5 GLY C C 5 173.689 174.668 -0.979 1
1 46 . 19 1 1 A 6 6 LYS N N 6 119.850 117.568 2.282 1
1 47 . 19 1 1 A 6 6 LYS H H 6 8.008 7.648 0.360 1
1 48 . 19 1 1 A 6 6 LYS CA C 6 55.401 56.990 -1.589 1
1 49 . 19 1 1 A 6 6 LYS HA H 6 4.381 4.397 -0.016 1
1 50 . 19 1 1 A 6 6 LYS CB C 6 33.225 34.989 -1.764 1
1 62 . 19 1 1 A 6 6 LYS C C 6 175.948 176.504 -0.556 1
1 63 . 19 1 1 A 7 7 GLU N N 7 122.488 114.482 8.006 1
1 64 . 19 1 1 A 7 7 GLU H H 7 8.577 7.229 1.348 1
1 65 . 19 1 1 A 7 7 GLU CA C 7 55.690 56.242 -0.552 1
1 66 . 19 1 1 A 7 7 GLU HA H 7 4.495 4.656 -0.161 1
1 67 . 19 1 1 A 7 7 GLU CB C 7 30.382 33.234 -2.852 1
1 73 . 19 1 1 A 7 7 GLU C C 7 174.109 174.150 -0.041 1
1 74 . 19 1 1 A 8 8 LEU N N 8 123.063 125.647 -2.584 1
1 75 . 19 1 1 A 8 8 LEU H H 8 8.485 8.557 -0.072 1
1 76 . 19 1 1 A 8 8 LEU CA C 8 53.331 53.436 -0.105 1
1 77 . 19 1 1 A 8 8 LEU HA H 8 5.381 5.327 0.054 1
1 78 . 19 1 1 A 8 8 LEU CB C 8 45.077 46.240 -1.163 1
1 91 . 19 1 1 A 8 8 LEU C C 8 177.344 175.898 1.446 1
1 92 . 19 1 1 A 9 9 VAL N N 9 111.683 118.219 -6.536 1
1 93 . 19 1 1 A 9 9 VAL H H 9 9.111 9.480 -0.369 1
1 94 . 19 1 1 A 9 9 VAL CA C 9 57.854 59.249 -1.395 1
1 95 . 19 1 1 A 9 9 VAL HA H 9 5.214 5.074 0.140 1
1 96 . 19 1 1 A 9 9 VAL CB C 9 35.864 34.974 0.890 1
1 106 . 19 1 1 A 9 9 VAL C C 9 172.404 174.115 -1.711 1
1 107 . 19 1 1 A 10 10 LEU N N 10 123.366 126.849 -3.483 1
1 108 . 19 1 1 A 10 10 LEU H H 10 8.971 9.099 -0.128 1
1 109 . 19 1 1 A 10 10 LEU CA C 10 52.445 53.476 -1.031 1
1 110 . 19 1 1 A 10 10 LEU HA H 10 5.100 4.959 0.141 1
1 111 . 19 1 1 A 10 10 LEU CB C 10 46.711 44.743 1.968 1
1 124 . 19 1 1 A 10 10 LEU C C 10 176.568 175.610 0.958 1
1 125 . 19 1 1 A 11 11 ALA N N 11 127.241 129.147 -1.906 1
1 126 . 19 1 1 A 11 11 ALA H H 11 9.160 9.037 0.123 1
1 127 . 19 1 1 A 11 11 ALA CA C 11 52.416 51.228 1.188 1
1 128 . 19 1 1 A 11 11 ALA HA H 11 4.610 4.434 0.176 1
1 132 . 19 1 1 A 11 11 ALA CB C 11 19.051 18.399 0.652 1
1 133 . 19 1 1 A 11 11 ALA C C 11 178.252 177.799 0.453 1
1 134 . 19 1 1 A 12 12 LEU N N 12 127.842 126.508 1.334 1
1 135 . 19 1 1 A 12 12 LEU H H 12 9.257 8.610 0.647 1
1 136 . 19 1 1 A 12 12 LEU CA C 12 55.585 56.876 -1.291 1
1 137 . 19 1 1 A 12 12 LEU HA H 12 3.884 4.033 -0.149 1
1 138 . 19 1 1 A 12 12 LEU CB C 12 43.192 42.554 0.638 1
1 151 . 19 1 1 A 12 12 LEU C C 12 174.951 176.444 -1.493 1
1 152 . 19 1 1 A 13 13 TYR N N 13 111.673 115.484 -3.811 1
1 153 . 19 1 1 A 13 13 TYR H H 13 7.129 7.645 -0.516 1
1 154 . 19 1 1 A 13 13 TYR CA C 13 54.530 56.630 -2.100 1
1 155 . 19 1 1 A 13 13 TYR HA H 13 4.617 4.986 -0.369 1
1 156 . 19 1 1 A 13 13 TYR CB C 13 42.982 42.378 0.604 1
1 167 . 19 1 1 A 13 13 TYR C C 13 173.600 174.889 -1.289 1
1 168 . 19 1 1 A 14 14 ASP N N 14 117.888 119.516 -1.628 1
1 169 . 19 1 1 A 14 14 ASP H H 14 8.328 8.698 -0.370 1
1 170 . 19 1 1 A 14 14 ASP CA C 14 54.527 52.461 2.066 1
1 171 . 19 1 1 A 14 14 ASP HA H 14 4.615 5.440 -0.825 1
1 172 . 19 1 1 A 14 14 ASP CB C 14 41.351 42.983 -1.632 1
1 175 . 19 1 1 A 14 14 ASP C C 14 176.125 174.361 1.764 1
1 176 . 19 1 1 A 15 15 TYR N N 15 120.102 121.293 -1.191 1
1 177 . 19 1 1 A 15 15 TYR H H 15 8.733 8.898 -0.165 1
1 178 . 19 1 1 A 15 15 TYR CA C 15 59.669 57.418 2.251 1
1 179 . 19 1 1 A 15 15 TYR HA H 15 4.662 5.172 -0.510 1
1 180 . 19 1 1 A 15 15 TYR CB C 15 43.400 42.180 1.220 1
1 191 . 19 1 1 A 15 15 TYR C C 15 172.803 173.623 -0.820 1
1 192 . 19 1 1 A 16 16 GLN N N 16 126.945 122.945 4.000 1
1 193 . 19 1 1 A 16 16 GLN H H 16 7.546 7.861 -0.315 1
1 194 . 19 1 1 A 16 16 GLN CA C 16 53.820 54.928 -1.108 1
1 195 . 19 1 1 A 16 16 GLN HA H 16 4.500 5.020 -0.520 1
1 196 . 19 1 1 A 16 16 GLN CB C 16 29.378 29.752 -0.374 1
1 202 . 19 1 1 A 16 16 GLN C C 16 173.910 174.748 -0.838 1
1 203 . 19 1 1 A 17 17 GLU N N 17 123.035 125.504 -2.469 1
1 204 . 19 1 1 A 17 17 GLU H H 17 7.930 8.854 -0.924 1
1 205 . 19 1 1 A 17 17 GLU CA C 17 56.078 56.844 -0.766 1
1 206 . 19 1 1 A 17 17 GLU HA H 17 4.211 4.283 -0.072 1
1 207 . 19 1 1 A 17 17 GLU CB C 17 29.520 30.160 -0.640 1
1 213 . 19 1 1 A 17 17 GLU C C 17 175.926 176.889 -0.963 1
1 214 . 19 1 1 A 18 18 LYS N N 18 120.770 119.782 0.988 1
1 215 . 19 1 1 A 18 18 LYS H H 18 8.801 8.805 -0.004 1
1 216 . 19 1 1 A 18 18 LYS CA C 18 55.164 56.466 -1.302 1
1 217 . 19 1 1 A 18 18 LYS HA H 18 4.424 4.606 -0.182 1
1 218 . 19 1 1 A 18 18 LYS CB C 18 33.328 34.594 -1.266 1
1 230 . 19 1 1 A 18 18 LYS C C 18 176.192 176.341 -0.149 1
1 231 . 19 1 1 A 19 19 SER N N 19 114.841 115.808 -0.967 1
1 232 . 19 1 1 A 19 19 SER H H 19 7.619 7.826 -0.207 1
1 233 . 19 1 1 A 19 19 SER CA C 19 56.678 55.873 0.805 1
1 234 . 19 1 1 A 19 19 SER HA H 19 4.863 4.936 -0.073 1
1 235 . 19 1 1 A 19 19 SER CB C 19 64.060 64.876 -0.816 1
1 239 . 19 1 1 A 20 20 PRO CA C 20 64.803 64.476 0.327 1
1 240 . 19 1 1 A 20 20 PRO HA H 20 4.549 4.513 0.036 1
1 241 . 19 1 1 A 20 20 PRO CB C 20 31.894 31.881 0.013 1
1 249 . 19 1 1 A 20 20 PRO C C 20 176.679 177.320 -0.641 1
1 250 . 19 1 1 A 21 21 ARG N N 21 113.864 116.113 -2.249 1
1 251 . 19 1 1 A 21 21 ARG H H 21 7.687 8.410 -0.723 1
1 252 . 19 1 1 A 21 21 ARG CA C 21 56.119 56.254 -0.135 1
1 253 . 19 1 1 A 21 21 ARG HA H 21 4.598 4.361 0.237 1
1 254 . 19 1 1 A 21 21 ARG CB C 21 30.299 30.053 0.246 1
1 263 . 19 1 1 A 21 21 ARG C C 21 176.369 175.104 1.265 1
1 264 . 19 1 1 A 22 22 GLU N N 22 121.539 120.711 0.828 1
1 265 . 19 1 1 A 22 22 GLU H H 22 7.842 7.386 0.456 1
1 266 . 19 1 1 A 22 22 GLU CA C 22 54.951 55.002 -0.051 1
1 267 . 19 1 1 A 22 22 GLU HA H 22 5.484 4.849 0.635 1
1 268 . 19 1 1 A 22 22 GLU CB C 22 33.535 33.410 0.125 1
1 274 . 19 1 1 A 22 22 GLU C C 22 174.375 174.390 -0.015 1
1 275 . 19 1 1 A 23 23 VAL N N 23 111.923 118.134 -6.211 1
1 276 . 19 1 1 A 23 23 VAL H H 23 7.373 8.928 -1.555 1
1 277 . 19 1 1 A 23 23 VAL CA C 23 59.570 59.383 0.187 1
1 278 . 19 1 1 A 23 23 VAL HA H 23 4.531 5.093 -0.562 1
1 279 . 19 1 1 A 23 23 VAL CB C 23 34.667 36.213 -1.546 1
1 289 . 19 1 1 A 23 23 VAL C C 23 172.625 174.005 -1.380 1
1 290 . 19 1 1 A 24 24 THR N N 24 117.656 116.396 1.260 1
1 291 . 19 1 1 A 24 24 THR H H 24 7.112 8.755 -1.643 1
1 292 . 19 1 1 A 24 24 THR CA C 24 61.994 60.092 1.902 1
1 293 . 19 1 1 A 24 24 THR HA H 24 5.119 5.476 -0.357 1
1 294 . 19 1 1 A 24 24 THR CB C 24 71.220 72.224 -1.004 1
1 300 . 19 1 1 A 24 24 THR C C 24 174.309 172.818 1.491 1
1 301 . 19 1 1 A 25 25 MET N N 25 122.056 124.068 -2.012 1
1 302 . 19 1 1 A 25 25 MET H H 25 9.515 9.017 0.498 1
1 303 . 19 1 1 A 25 25 MET CA C 25 54.247 54.075 0.172 1
1 304 . 19 1 1 A 25 25 MET HA H 25 4.935 5.355 -0.420 1
1 305 . 19 1 1 A 25 25 MET CB C 25 36.287 37.885 -1.598 1
1 312 . 19 1 1 A 25 25 MET C C 25 173.777 174.794 -1.017 1
1 313 . 19 1 1 A 26 26 LYS N N 26 124.668 122.529 2.139 1
1 314 . 19 1 1 A 26 26 LYS H H 26 8.949 8.936 0.013 1
1 315 . 19 1 1 A 26 26 LYS CA C 26 53.476 54.377 -0.901 1
1 316 . 19 1 1 A 26 26 LYS HA H 26 4.896 5.096 -0.200 1
1 317 . 19 1 1 A 26 26 LYS CB C 26 34.097 35.951 -1.854 1
1 327 . 19 1 1 A 26 26 LYS C C 26 174.929 175.492 -0.563 1
1 328 . 19 1 1 A 27 27 LYS N N 27 122.567 122.536 0.031 1
1 329 . 19 1 1 A 27 27 LYS H H 27 9.061 8.431 0.630 1
1 330 . 19 1 1 A 27 27 LYS CA C 27 58.539 57.090 1.449 1
1 331 . 19 1 1 A 27 27 LYS HA H 27 4.656 4.362 0.294 1
1 332 . 19 1 1 A 27 27 LYS CB C 27 32.202 31.944 0.258 1
1 344 . 19 1 1 A 27 27 LYS C C 27 177.344 176.966 0.378 1
1 345 . 19 1 1 A 28 28 GLY N N 28 115.884 113.001 2.883 1
1 346 . 19 1 1 A 28 28 GLY H H 28 8.900 9.152 -0.252 1
1 347 . 19 1 1 A 28 28 GLY CA C 28 44.779 44.834 -0.055 1
1 348 . 19 1 1 A 28 28 GLY HA2 H 28 3.523 3.966 -0.443 1
1 349 . 19 1 1 A 28 28 GLY HA3 H 28 4.469 3.968 0.501 1
1 350 . 19 1 1 A 28 28 GLY C C 28 174.021 173.998 0.023 1
1 351 . 19 1 1 A 29 29 ASP N N 29 122.466 120.802 1.664 1
1 352 . 19 1 1 A 29 29 ASP H H 29 8.513 7.878 0.635 1
1 353 . 19 1 1 A 29 29 ASP CA C 29 55.711 52.910 2.801 1
1 354 . 19 1 1 A 29 29 ASP HA H 29 4.523 5.056 -0.533 1
1 355 . 19 1 1 A 29 29 ASP CB C 29 41.361 43.468 -2.107 1
1 358 . 19 1 1 A 29 29 ASP C C 29 174.331 175.224 -0.893 1
1 359 . 19 1 1 A 30 30 ILE N N 30 120.470 123.527 -3.057 1
1 360 . 19 1 1 A 30 30 ILE H H 30 8.204 8.593 -0.389 1
1 361 . 19 1 1 A 30 30 ILE CA C 30 60.164 60.195 -0.031 1
1 362 . 19 1 1 A 30 30 ILE HA H 30 5.025 5.428 -0.403 1
1 363 . 19 1 1 A 30 30 ILE CB C 30 38.257 41.308 -3.051 1
1 372 . 19 1 1 A 30 30 ILE C C 30 176.236 174.906 1.330 1
1 373 . 19 1 1 A 31 31 LEU N N 31 128.265 126.523 1.742 1
1 374 . 19 1 1 A 31 31 LEU H H 31 9.353 8.832 0.521 1
1 375 . 19 1 1 A 31 31 LEU CA C 31 53.601 53.841 -0.240 1
1 376 . 19 1 1 A 31 31 LEU HA H 31 4.998 5.121 -0.123 1
1 377 . 19 1 1 A 31 31 LEU CB C 31 43.893 45.397 -1.504 1
1 388 . 19 1 1 A 31 31 LEU C C 31 175.638 175.663 -0.025 1
1 389 . 19 1 1 A 32 32 THR N N 32 117.089 119.024 -1.935 1
1 390 . 19 1 1 A 32 32 THR H H 32 8.141 8.659 -0.518 1
1 391 . 19 1 1 A 32 32 THR CA C 32 63.263 62.625 0.638 1
1 392 . 19 1 1 A 32 32 THR HA H 32 4.619 4.704 -0.085 1
1 393 . 19 1 1 A 32 32 THR CB C 32 69.867 69.317 0.550 1
1 399 . 19 1 1 A 32 32 THR C C 32 173.600 174.599 -0.999 1
1 400 . 19 1 1 A 33 33 LEU N N 33 129.212 128.528 0.684 1
1 401 . 19 1 1 A 33 33 LEU H H 33 9.070 8.513 0.557 1
1 402 . 19 1 1 A 33 33 LEU CA C 33 54.671 56.524 -1.853 1
1 403 . 19 1 1 A 33 33 LEU HA H 33 4.356 4.300 0.056 1
1 404 . 19 1 1 A 33 33 LEU CB C 33 42.968 42.303 0.665 1
1 417 . 19 1 1 A 33 33 LEU C C 33 174.553 176.136 -1.583 1
1 418 . 19 1 1 A 34 34 LEU N N 34 125.880 127.131 -1.251 1
1 419 . 19 1 1 A 34 34 LEU H H 34 9.051 9.282 -0.231 1
1 420 . 19 1 1 A 34 34 LEU CA C 34 54.811 55.873 -1.062 1
1 421 . 19 1 1 A 34 34 LEU HA H 34 4.532 4.491 0.041 1
1 422 . 19 1 1 A 34 34 LEU CB C 34 42.977 43.234 -0.257 1
1 434 . 19 1 1 A 34 34 LEU C C 34 177.477 177.095 0.382 1
1 435 . 19 1 1 A 35 35 ASN N N 35 113.971 116.229 -2.258 1
1 436 . 19 1 1 A 35 35 ASN H H 35 7.600 7.889 -0.289 1
1 437 . 19 1 1 A 35 35 ASN CA C 35 54.543 53.173 1.370 1
1 438 . 19 1 1 A 35 35 ASN HA H 35 4.680 5.090 -0.410 1
1 439 . 19 1 1 A 35 35 ASN CB C 35 40.958 41.039 -0.081 1
1 443 . 19 1 1 A 35 35 ASN C C 35 174.375 174.027 0.348 1
1 444 . 19 1 1 A 36 36 SER N N 36 123.815 117.849 5.966 1
1 445 . 19 1 1 A 36 36 SER H H 36 9.194 8.530 0.664 1
1 446 . 19 1 1 A 36 36 SER CA C 36 56.692 56.984 -0.292 1
1 447 . 19 1 1 A 36 36 SER HA H 36 3.921 4.893 -0.972 1
1 448 . 19 1 1 A 36 36 SER CB C 36 62.180 62.533 -0.353 1
1 451 . 19 1 1 A 36 36 SER C C 36 173.401 175.427 -2.026 1
1 452 . 19 1 1 A 37 37 THR N N 37 115.041 115.772 -0.731 1
1 453 . 19 1 1 A 37 37 THR H H 37 8.178 7.752 0.426 1
1 454 . 19 1 1 A 37 37 THR CA C 37 65.484 65.350 0.134 1
1 455 . 19 1 1 A 37 37 THR HA H 37 4.528 4.051 0.477 1
1 456 . 19 1 1 A 37 37 THR CB C 37 69.416 69.074 0.342 1
1 462 . 19 1 1 A 37 37 THR C C 37 175.261 174.599 0.662 1
1 463 . 19 1 1 A 38 38 ASN N N 38 122.494 118.950 3.544 1
1 464 . 19 1 1 A 38 38 ASN H H 38 8.674 8.036 0.638 1
1 465 . 19 1 1 A 38 38 ASN CA C 38 53.188 52.067 1.121 1
1 466 . 19 1 1 A 38 38 ASN HA H 38 4.863 5.051 -0.188 1
1 467 . 19 1 1 A 38 38 ASN CB C 38 40.525 40.795 -0.270 1
1 470 . 19 1 1 A 38 38 ASN C C 38 174.575 175.865 -1.290 1
1 471 . 19 1 1 A 39 39 LYS N N 39 120.915 121.407 -0.492 1
1 472 . 19 1 1 A 39 39 LYS H H 39 8.510 8.483 0.027 1
1 473 . 19 1 1 A 39 39 LYS CA C 39 58.333 56.992 1.341 1
1 474 . 19 1 1 A 39 39 LYS HA H 39 4.247 4.980 -0.733 1
1 475 . 19 1 1 A 39 39 LYS CB C 39 32.520 34.577 -2.057 1
1 485 . 19 1 1 A 39 39 LYS C C 39 176.236 177.788 -1.552 1
1 486 . 19 1 1 A 40 40 ASP N N 40 114.628 118.068 -3.440 1
1 487 . 19 1 1 A 40 40 ASP H H 40 8.173 7.758 0.415 1
1 488 . 19 1 1 A 40 40 ASP CA C 40 55.380 55.855 -0.475 1
1 489 . 19 1 1 A 40 40 ASP HA H 40 4.544 4.246 0.298 1
1 490 . 19 1 1 A 40 40 ASP CB C 40 43.415 42.035 1.380 1
1 493 . 19 1 1 A 40 40 ASP C C 40 176.967 175.759 1.208 1
1 494 . 19 1 1 A 41 41 TRP N N 41 122.703 115.512 7.191 1
1 495 . 19 1 1 A 41 41 TRP H H 41 8.209 7.585 0.624 1
1 496 . 19 1 1 A 41 41 TRP CA C 41 56.184 55.911 0.273 1
1 497 . 19 1 1 A 41 41 TRP HA H 41 5.075 5.327 -0.252 1
1 498 . 19 1 1 A 41 41 TRP CB C 41 32.019 33.401 -1.382 1
1 513 . 19 1 1 A 41 41 TRP C C 41 174.176 175.340 -1.164 1
1 514 . 19 1 1 A 42 42 TRP N N 42 124.895 121.998 2.897 1
1 515 . 19 1 1 A 42 42 TRP H H 42 9.366 9.012 0.354 1
1 516 . 19 1 1 A 42 42 TRP CA C 42 54.076 55.871 -1.795 1
1 517 . 19 1 1 A 42 42 TRP HA H 42 5.523 5.425 0.098 1
1 518 . 19 1 1 A 42 42 TRP CB C 42 31.447 33.853 -2.406 1
1 533 . 19 1 1 A 42 42 TRP C C 42 174.109 175.177 -1.068 1
1 534 . 19 1 1 A 43 43 LYS N N 43 124.120 124.137 -0.017 1
1 535 . 19 1 1 A 43 43 LYS H H 43 8.883 9.428 -0.545 1
1 536 . 19 1 1 A 43 43 LYS CA C 43 55.158 55.305 -0.147 1
1 537 . 19 1 1 A 43 43 LYS HA H 43 4.368 4.840 -0.472 1
1 538 . 19 1 1 A 43 43 LYS CB C 43 33.794 33.424 0.370 1
1 550 . 19 1 1 A 43 43 LYS C C 43 175.416 175.940 -0.524 1
1 551 . 19 1 1 A 44 44 VAL N N 44 122.055 121.208 0.847 1
1 552 . 19 1 1 A 44 44 VAL H H 44 9.427 9.042 0.385 1
1 553 . 19 1 1 A 44 44 VAL CA C 44 58.825 59.124 -0.299 1
1 554 . 19 1 1 A 44 44 VAL HA H 44 5.375 5.065 0.310 1
1 555 . 19 1 1 A 44 44 VAL CB C 44 36.593 34.840 1.753 1
1 565 . 19 1 1 A 44 44 VAL C C 44 173.223 173.842 -0.619 1
1 566 . 19 1 1 A 45 45 GLU N N 45 118.673 123.266 -4.593 1
1 567 . 19 1 1 A 45 45 GLU H H 45 8.733 8.752 -0.019 1
1 568 . 19 1 1 A 45 45 GLU CA C 45 54.249 55.321 -1.072 1
1 569 . 19 1 1 A 45 45 GLU HA H 45 5.432 4.898 0.534 1
1 570 . 19 1 1 A 45 45 GLU CB C 45 33.286 31.306 1.980 1
1 576 . 19 1 1 A 45 45 GLU C C 45 174.774 176.171 -1.397 1
1 577 . 19 1 1 A 46 46 VAL N N 46 123.551 121.612 1.939 1
1 578 . 19 1 1 A 46 46 VAL H H 46 9.058 9.102 -0.044 1
1 579 . 19 1 1 A 46 46 VAL CA C 46 59.627 59.333 0.294 1
1 580 . 19 1 1 A 46 46 VAL HA H 46 4.669 4.965 -0.296 1
1 581 . 19 1 1 A 46 46 VAL CB C 46 35.290 34.474 0.816 1
1 590 . 19 1 1 A 46 46 VAL C C 46 173.534 175.014 -1.480 1
1 591 . 19 1 1 A 47 47 LYS N N 47 124.992 122.459 2.533 1
1 592 . 19 1 1 A 47 47 LYS H H 47 8.446 8.511 -0.065 1
1 593 . 19 1 1 A 47 47 LYS CA C 47 55.905 54.742 1.163 1
1 594 . 19 1 1 A 47 47 LYS HA H 47 4.763 4.971 -0.208 1
1 595 . 19 1 1 A 47 47 LYS CB C 47 33.450 34.908 -1.458 1
1 605 . 19 1 1 A 47 47 LYS C C 47 175.306 175.817 -0.511 1
1 606 . 19 1 1 A 48 48 ALA N N 48 128.781 123.101 5.680 1
1 607 . 19 1 1 A 48 48 ALA H H 48 8.757 8.576 0.181 1
1 608 . 19 1 1 A 48 48 ALA CA C 48 50.828 50.407 0.421 1
1 609 . 19 1 1 A 48 48 ALA HA H 48 4.616 4.962 -0.346 1
1 613 . 19 1 1 A 48 48 ALA CB C 48 21.741 23.573 -1.832 1
1 614 . 19 1 1 A 48 48 ALA C C 48 175.173 175.353 -0.180 1
1 615 . 19 1 1 A 49 49 THR N N 49 113.585 115.049 -1.464 1
1 616 . 19 1 1 A 49 49 THR H H 49 8.333 8.507 -0.174 1
1 617 . 19 1 1 A 49 49 THR CA C 49 60.826 61.207 -0.381 1
1 618 . 19 1 1 A 49 49 THR HA H 49 5.257 5.532 -0.275 1
1 619 . 19 1 1 A 49 49 THR CB C 49 71.045 71.123 -0.078 1
1 624 . 19 1 1 A 49 49 THR C C 49 174.176 173.467 0.709 1
1 625 . 19 1 1 A 50 50 ALA N N 50 127.142 127.729 -0.587 1
1 626 . 19 1 1 A 50 50 ALA H H 50 8.914 8.792 0.122 1
1 627 . 19 1 1 A 50 50 ALA CA C 50 52.345 51.290 1.055 1
1 628 . 19 1 1 A 50 50 ALA HA H 50 4.603 4.791 -0.188 1
1 632 . 19 1 1 A 50 50 ALA CB C 50 20.935 22.862 -1.927 1
1 633 . 19 1 1 A 50 50 ALA C C 50 177.299 176.079 1.220 1
1 634 . 19 1 1 A 51 51 ASN N N 51 121.555 121.627 -0.072 1
1 635 . 19 1 1 A 51 51 ASN H H 51 9.491 9.332 0.159 1
1 636 . 19 1 1 A 51 51 ASN CA C 51 54.177 54.537 -0.360 1
1 637 . 19 1 1 A 51 51 ASN HA H 51 4.389 4.457 -0.068 1
1 638 . 19 1 1 A 51 51 ASN CB C 51 37.413 37.433 -0.020 1
1 641 . 19 1 1 A 51 51 ASN C C 51 175.106 175.578 -0.472 1
1 642 . 19 1 1 A 52 52 GLY N N 52 103.942 103.752 0.190 1
1 643 . 19 1 1 A 52 52 GLY H H 52 8.681 8.639 0.042 1
1 644 . 19 1 1 A 52 52 GLY CA C 52 45.443 46.044 -0.601 1
1 645 . 19 1 1 A 52 52 GLY HA2 H 52 3.624 3.895 -0.271 1
1 646 . 19 1 1 A 52 52 GLY HA3 H 52 4.143 3.900 0.243 1
1 647 . 19 1 1 A 52 52 GLY C C 52 173.666 173.726 -0.060 1
1 648 . 19 1 1 A 53 53 LYS N N 53 121.213 119.818 1.395 1
1 649 . 19 1 1 A 53 53 LYS H H 53 7.893 8.067 -0.174 1
1 650 . 19 1 1 A 53 53 LYS CA C 53 54.807 54.235 0.572 1
1 651 . 19 1 1 A 53 53 LYS HA H 53 4.727 4.899 -0.172 1
1 652 . 19 1 1 A 53 53 LYS CB C 53 34.737 35.503 -0.766 1
1 664 . 19 1 1 A 53 53 LYS C C 53 175.239 175.173 0.066 1
1 665 . 19 1 1 A 54 54 THR N N 54 118.501 113.813 4.688 1
1 666 . 19 1 1 A 54 54 THR H H 54 8.498 9.002 -0.504 1
1 667 . 19 1 1 A 54 54 THR CA C 54 61.925 60.763 1.162 1
1 668 . 19 1 1 A 54 54 THR HA H 54 5.117 5.585 -0.468 1
1 669 . 19 1 1 A 54 54 THR CB C 54 70.294 70.622 -0.328 1
1 675 . 19 1 1 A 54 54 THR C C 54 173.733 173.861 -0.128 1
1 676 . 19 1 1 A 55 55 TYR N N 55 125.105 119.994 5.111 1
1 677 . 19 1 1 A 55 55 TYR H H 55 9.122 9.048 0.074 1
1 678 . 19 1 1 A 55 55 TYR CA C 55 56.149 55.402 0.747 1
1 679 . 19 1 1 A 55 55 TYR HA H 55 4.857 5.491 -0.634 1
1 680 . 19 1 1 A 55 55 TYR CB C 55 40.090 42.001 -1.911 1
1 691 . 19 1 1 A 55 55 TYR C C 55 172.847 172.962 -0.115 1
1 692 . 19 1 1 A 56 56 GLU N N 56 119.744 119.729 0.015 1
1 693 . 19 1 1 A 56 56 GLU H H 56 8.503 8.807 -0.304 1
1 694 . 19 1 1 A 56 56 GLU CA C 56 54.739 54.758 -0.019 1
1 695 . 19 1 1 A 56 56 GLU HA H 56 5.030 5.189 -0.159 1
1 696 . 19 1 1 A 56 56 GLU CB C 56 30.297 33.001 -2.704 1
1 701 . 19 1 1 A 56 56 GLU C C 56 175.394 175.495 -0.101 1
1 702 . 19 1 1 A 57 57 ARG N N 57 123.665 120.021 3.644 1
1 703 . 19 1 1 A 57 57 ARG H H 57 8.897 9.243 -0.346 1
1 704 . 19 1 1 A 57 57 ARG CA C 57 54.944 54.089 0.855 1
1 705 . 19 1 1 A 57 57 ARG HA H 57 4.663 4.986 -0.323 1
1 706 . 19 1 1 A 57 57 ARG CB C 57 33.471 33.953 -0.482 1
1 713 . 19 1 1 A 57 57 ARG C C 57 174.198 174.461 -0.263 1
1 714 . 19 1 1 A 58 58 GLN N N 58 119.967 120.484 -0.517 1
1 715 . 19 1 1 A 58 58 GLN H H 58 8.604 8.474 0.130 1
1 716 . 19 1 1 A 58 58 GLN CA C 58 53.394 54.965 -1.571 1
1 717 . 19 1 1 A 58 58 GLN HA H 58 5.602 4.939 0.663 1
1 718 . 19 1 1 A 58 58 GLN CB C 58 31.229 29.916 1.313 1
1 724 . 19 1 1 A 58 58 GLN C C 58 175.771 175.751 0.020 1
1 725 . 19 1 1 A 59 59 GLY N N 59 107.507 109.776 -2.269 1
1 726 . 19 1 1 A 59 59 GLY H H 59 8.652 8.553 0.099 1
1 727 . 19 1 1 A 59 59 GLY CA C 59 45.583 45.129 0.454 1
1 728 . 19 1 1 A 59 59 GLY HA2 H 59 3.947 4.264 -0.317 1
1 729 . 19 1 1 A 59 59 GLY HA3 H 59 3.947 4.362 -0.415 1
1 730 . 19 1 1 A 59 59 GLY C C 59 170.255 171.823 -1.568 1
1 731 . 19 1 1 A 60 60 PHE N N 60 119.079 118.931 0.148 1
1 732 . 19 1 1 A 60 60 PHE H H 60 9.153 8.628 0.525 1
1 733 . 19 1 1 A 60 60 PHE CA C 60 58.544 56.945 1.599 1
1 734 . 19 1 1 A 60 60 PHE HA H 60 5.666 5.694 -0.028 1
1 735 . 19 1 1 A 60 60 PHE CB C 60 42.484 42.114 0.370 1
1 748 . 19 1 1 A 60 60 PHE C C 60 175.461 175.515 -0.054 1
1 749 . 19 1 1 A 61 61 VAL N N 61 110.995 116.886 -5.891 1
1 750 . 19 1 1 A 61 61 VAL H H 61 9.065 9.058 0.007 1
1 751 . 19 1 1 A 61 61 VAL CA C 61 58.189 58.128 0.061 1
1 752 . 19 1 1 A 61 61 VAL HA H 61 4.823 4.947 -0.124 1
1 753 . 19 1 1 A 61 61 VAL CB C 61 33.521 34.492 -0.971 1
1 764 . 19 1 1 A 62 62 PRO CA C 62 61.852 61.759 0.093 1
1 765 . 19 1 1 A 62 62 PRO HA H 62 3.556 3.753 -0.197 1
1 766 . 19 1 1 A 62 62 PRO CB C 62 29.777 30.765 -0.988 1
1 774 . 19 1 1 A 62 62 PRO C C 62 177.787 177.136 0.651 1
1 775 . 19 1 1 A 63 63 ALA N N 63 129.142 127.676 1.466 1
1 776 . 19 1 1 A 63 63 ALA H H 63 7.477 8.217 -0.740 1
1 777 . 19 1 1 A 63 63 ALA CA C 63 54.472 53.541 0.931 1
1 778 . 19 1 1 A 63 63 ALA HA H 63 2.652 3.084 -0.432 1
1 782 . 19 1 1 A 63 63 ALA CB C 63 15.666 17.235 -1.569 1
1 783 . 19 1 1 A 63 63 ALA C C 63 178.429 178.570 -0.141 1
1 784 . 19 1 1 A 64 64 ALA N N 64 113.522 118.915 -5.393 1
1 785 . 19 1 1 A 64 64 ALA H H 64 7.867 7.091 0.776 1
1 786 . 19 1 1 A 64 64 ALA CA C 64 52.768 54.148 -1.380 1
1 787 . 19 1 1 A 64 64 ALA HA H 64 4.006 3.916 0.090 1
1 791 . 19 1 1 A 64 64 ALA CB C 64 17.629 17.924 -0.295 1
1 792 . 19 1 1 A 64 64 ALA C C 64 178.097 178.026 0.071 1
1 793 . 19 1 1 A 65 65 TYR N N 65 116.109 116.505 -0.396 1
1 794 . 19 1 1 A 65 65 TYR H H 65 7.698 7.433 0.265 1
1 795 . 19 1 1 A 65 65 TYR CA C 65 56.328 58.627 -2.299 1
1 796 . 19 1 1 A 65 65 TYR HA H 65 4.758 4.864 -0.106 1
1 797 . 19 1 1 A 65 65 TYR CB C 65 37.765 39.628 -1.863 1
1 808 . 19 1 1 A 65 65 TYR C C 65 174.375 175.563 -1.188 1
1 809 . 19 1 1 A 66 66 VAL N N 66 111.053 115.194 -4.141 1
1 810 . 19 1 1 A 66 66 VAL H H 66 7.415 7.109 0.306 1
1 811 . 19 1 1 A 66 66 VAL CA C 66 58.119 59.621 -1.502 1
1 812 . 19 1 1 A 66 66 VAL HA H 66 5.538 5.168 0.370 1
1 813 . 19 1 1 A 66 66 VAL CB C 66 35.809 35.686 0.123 1
1 823 . 19 1 1 A 66 66 VAL C C 66 173.511 173.982 -0.471 1
1 824 . 19 1 1 A 67 67 LYS N N 67 118.588 124.097 -5.509 1
1 825 . 19 1 1 A 67 67 LYS H H 67 8.631 9.166 -0.535 1
1 826 . 19 1 1 A 67 67 LYS CA C 67 54.035 54.550 -0.515 1
1 827 . 19 1 1 A 67 67 LYS HA H 67 4.830 5.579 -0.749 1
1 828 . 19 1 1 A 67 67 LYS CB C 67 36.779 36.417 0.362 1
1 838 . 19 1 1 A 67 67 LYS C C 67 175.992 176.055 -0.063 1
1 839 . 19 1 1 A 68 68 LYS N N 68 125.838 122.384 3.454 1
1 840 . 19 1 1 A 68 68 LYS H H 68 9.227 8.630 0.597 1
1 841 . 19 1 1 A 68 68 LYS CA C 68 58.335 56.256 2.079 1
1 842 . 19 1 1 A 68 68 LYS HA H 68 4.494 4.319 0.175 1
1 843 . 19 1 1 A 68 68 LYS CB C 68 32.893 32.910 -0.017 1
1 853 . 19 1 1 A 68 68 LYS C C 68 176.657 177.377 -0.720 1
1 854 . 19 1 1 A 69 69 LEU N N 69 125.443 122.806 2.637 1
1 855 . 19 1 1 A 69 69 LEU H H 69 8.449 8.897 -0.448 1
1 856 . 19 1 1 A 69 69 LEU CA C 69 54.873 54.433 0.440 1
1 857 . 19 1 1 A 69 69 LEU HA H 69 4.437 4.569 -0.132 1
1 858 . 19 1 1 A 69 69 LEU CB C 69 42.345 41.791 0.554 1
1 871 . 19 1 1 A 69 69 LEU C C 69 176.147 175.490 0.657 1
1 10 . 20 1 1 A 2 2 ASP N N 2 123.485 114.577 8.908 1
1 11 . 20 1 1 A 2 2 ASP H H 2 8.809 8.131 0.678 1
1 12 . 20 1 1 A 2 2 ASP CA C 2 54.244 53.037 1.207 1
1 13 . 20 1 1 A 2 2 ASP HA H 2 4.673 4.673 0.000 1
1 14 . 20 1 1 A 2 2 ASP CB C 2 40.452 40.243 0.209 1
1 17 . 20 1 1 A 2 2 ASP C C 2 175.771 176.564 -0.793 1
1 18 . 20 1 1 A 3 3 GLU N N 3 121.725 117.949 3.776 1
1 19 . 20 1 1 A 3 3 GLU H H 3 8.684 8.268 0.416 1
1 20 . 20 1 1 A 3 3 GLU CA C 3 56.162 55.798 0.364 1
1 21 . 20 1 1 A 3 3 GLU HA H 3 4.392 4.575 -0.183 1
1 22 . 20 1 1 A 3 3 GLU CB C 3 29.170 29.711 -0.541 1
1 28 . 20 1 1 A 3 3 GLU C C 3 176.546 175.704 0.842 1
1 29 . 20 1 1 A 4 4 THR N N 4 114.384 110.687 3.697 1
1 30 . 20 1 1 A 4 4 THR H H 4 8.303 7.759 0.544 1
1 31 . 20 1 1 A 4 4 THR CA C 4 62.347 60.704 1.643 1
1 32 . 20 1 1 A 4 4 THR HA H 4 4.278 4.809 -0.531 1
1 33 . 20 1 1 A 4 4 THR CB C 4 69.672 71.180 -1.508 1
1 39 . 20 1 1 A 4 4 THR C C 4 175.306 173.538 1.768 1
1 40 . 20 1 1 A 5 5 GLY N N 5 111.296 111.470 -0.174 1
1 41 . 20 1 1 A 5 5 GLY H H 5 8.422 8.464 -0.042 1
1 42 . 20 1 1 A 5 5 GLY CA C 5 45.302 45.388 -0.086 1
1 43 . 20 1 1 A 5 5 GLY HA2 H 5 3.928 3.968 -0.040 1
1 44 . 20 1 1 A 5 5 GLY HA3 H 5 3.928 3.969 -0.041 1
1 45 . 20 1 1 A 5 5 GLY C C 5 173.689 175.372 -1.683 1
1 46 . 20 1 1 A 6 6 LYS N N 6 119.850 118.151 1.699 1
1 47 . 20 1 1 A 6 6 LYS H H 6 8.008 8.239 -0.231 1
1 48 . 20 1 1 A 6 6 LYS CA C 6 55.401 57.391 -1.990 1
1 49 . 20 1 1 A 6 6 LYS HA H 6 4.381 4.316 0.065 1
1 50 . 20 1 1 A 6 6 LYS CB C 6 33.225 33.429 -0.204 1
1 62 . 20 1 1 A 6 6 LYS C C 6 175.948 177.143 -1.195 1
1 63 . 20 1 1 A 7 7 GLU N N 7 122.488 116.648 5.840 1
1 64 . 20 1 1 A 7 7 GLU H H 7 8.577 7.695 0.882 1
1 65 . 20 1 1 A 7 7 GLU CA C 7 55.690 56.350 -0.660 1
1 66 . 20 1 1 A 7 7 GLU HA H 7 4.495 4.568 -0.073 1
1 67 . 20 1 1 A 7 7 GLU CB C 7 30.382 31.861 -1.479 1
1 73 . 20 1 1 A 7 7 GLU C C 7 174.109 174.305 -0.196 1
1 74 . 20 1 1 A 8 8 LEU N N 8 123.063 126.249 -3.186 1
1 75 . 20 1 1 A 8 8 LEU H H 8 8.485 8.974 -0.489 1
1 76 . 20 1 1 A 8 8 LEU CA C 8 53.331 53.338 -0.007 1
1 77 . 20 1 1 A 8 8 LEU HA H 8 5.381 5.053 0.328 1
1 78 . 20 1 1 A 8 8 LEU CB C 8 45.077 44.327 0.750 1
1 91 . 20 1 1 A 8 8 LEU C C 8 177.344 176.289 1.055 1
1 92 . 20 1 1 A 9 9 VAL N N 9 111.683 118.944 -7.261 1
1 93 . 20 1 1 A 9 9 VAL H H 9 9.111 9.310 -0.199 1
1 94 . 20 1 1 A 9 9 VAL CA C 9 57.854 59.102 -1.248 1
1 95 . 20 1 1 A 9 9 VAL HA H 9 5.214 4.986 0.228 1
1 96 . 20 1 1 A 9 9 VAL CB C 9 35.864 34.721 1.143 1
1 106 . 20 1 1 A 9 9 VAL C C 9 172.404 173.790 -1.386 1
1 107 . 20 1 1 A 10 10 LEU N N 10 123.366 126.516 -3.150 1
1 108 . 20 1 1 A 10 10 LEU H H 10 8.971 9.002 -0.031 1
1 109 . 20 1 1 A 10 10 LEU CA C 10 52.445 53.314 -0.869 1
1 110 . 20 1 1 A 10 10 LEU HA H 10 5.100 5.413 -0.313 1
1 111 . 20 1 1 A 10 10 LEU CB C 10 46.711 44.810 1.901 1
1 124 . 20 1 1 A 10 10 LEU C C 10 176.568 175.501 1.067 1
1 125 . 20 1 1 A 11 11 ALA N N 11 127.241 128.802 -1.561 1
1 126 . 20 1 1 A 11 11 ALA H H 11 9.160 9.042 0.118 1
1 127 . 20 1 1 A 11 11 ALA CA C 11 52.416 51.270 1.146 1
1 128 . 20 1 1 A 11 11 ALA HA H 11 4.610 4.412 0.198 1
1 132 . 20 1 1 A 11 11 ALA CB C 11 19.051 17.716 1.335 1
1 133 . 20 1 1 A 11 11 ALA C C 11 178.252 177.744 0.508 1
1 134 . 20 1 1 A 12 12 LEU N N 12 127.842 126.004 1.838 1
1 135 . 20 1 1 A 12 12 LEU H H 12 9.257 8.093 1.164 1
1 136 . 20 1 1 A 12 12 LEU CA C 12 55.585 57.697 -2.112 1
1 137 . 20 1 1 A 12 12 LEU HA H 12 3.884 3.825 0.059 1
1 138 . 20 1 1 A 12 12 LEU CB C 12 43.192 41.487 1.705 1
1 151 . 20 1 1 A 12 12 LEU C C 12 174.951 176.458 -1.507 1
1 152 . 20 1 1 A 13 13 TYR N N 13 111.673 115.337 -3.664 1
1 153 . 20 1 1 A 13 13 TYR H H 13 7.129 7.946 -0.817 1
1 154 . 20 1 1 A 13 13 TYR CA C 13 54.530 56.413 -1.883 1
1 155 . 20 1 1 A 13 13 TYR HA H 13 4.617 5.304 -0.687 1
1 156 . 20 1 1 A 13 13 TYR CB C 13 42.982 42.036 0.946 1
1 167 . 20 1 1 A 13 13 TYR C C 13 173.600 175.506 -1.906 1
1 168 . 20 1 1 A 14 14 ASP N N 14 117.888 123.645 -5.757 1
1 169 . 20 1 1 A 14 14 ASP H H 14 8.328 8.962 -0.634 1
1 170 . 20 1 1 A 14 14 ASP CA C 14 54.527 54.292 0.235 1
1 171 . 20 1 1 A 14 14 ASP HA H 14 4.615 4.741 -0.126 1
1 172 . 20 1 1 A 14 14 ASP CB C 14 41.351 42.045 -0.694 1
1 175 . 20 1 1 A 14 14 ASP C C 14 176.125 175.064 1.061 1
1 176 . 20 1 1 A 15 15 TYR N N 15 120.102 124.284 -4.182 1
1 177 . 20 1 1 A 15 15 TYR H H 15 8.733 8.862 -0.129 1
1 178 . 20 1 1 A 15 15 TYR CA C 15 59.669 57.481 2.188 1
1 179 . 20 1 1 A 15 15 TYR HA H 15 4.662 5.054 -0.392 1
1 180 . 20 1 1 A 15 15 TYR CB C 15 43.400 42.021 1.379 1
1 191 . 20 1 1 A 15 15 TYR C C 15 172.803 173.652 -0.849 1
1 192 . 20 1 1 A 16 16 GLN N N 16 126.945 122.107 4.838 1
1 193 . 20 1 1 A 16 16 GLN H H 16 7.546 7.687 -0.141 1
1 194 . 20 1 1 A 16 16 GLN CA C 16 53.820 54.444 -0.624 1
1 195 . 20 1 1 A 16 16 GLN HA H 16 4.500 4.898 -0.398 1
1 196 . 20 1 1 A 16 16 GLN CB C 16 29.378 29.655 -0.277 1
1 202 . 20 1 1 A 16 16 GLN C C 16 173.910 174.405 -0.495 1
1 203 . 20 1 1 A 17 17 GLU N N 17 123.035 125.424 -2.389 1
1 204 . 20 1 1 A 17 17 GLU H H 17 7.930 8.801 -0.871 1
1 205 . 20 1 1 A 17 17 GLU CA C 17 56.078 56.643 -0.565 1
1 206 . 20 1 1 A 17 17 GLU HA H 17 4.211 4.222 -0.011 1
1 207 . 20 1 1 A 17 17 GLU CB C 17 29.520 30.416 -0.896 1
1 213 . 20 1 1 A 17 17 GLU C C 17 175.926 177.158 -1.232 1
1 214 . 20 1 1 A 18 18 LYS N N 18 120.770 119.051 1.719 1
1 215 . 20 1 1 A 18 18 LYS H H 18 8.801 8.753 0.048 1
1 216 . 20 1 1 A 18 18 LYS CA C 18 55.164 55.727 -0.563 1
1 217 . 20 1 1 A 18 18 LYS HA H 18 4.424 4.636 -0.212 1
1 218 . 20 1 1 A 18 18 LYS CB C 18 33.328 33.799 -0.471 1
1 230 . 20 1 1 A 18 18 LYS C C 18 176.192 176.530 -0.338 1
1 231 . 20 1 1 A 19 19 SER N N 19 114.841 114.725 0.116 1
1 232 . 20 1 1 A 19 19 SER H H 19 7.619 7.294 0.325 1
1 233 . 20 1 1 A 19 19 SER CA C 19 56.678 55.886 0.792 1
1 234 . 20 1 1 A 19 19 SER HA H 19 4.863 4.940 -0.077 1
1 235 . 20 1 1 A 19 19 SER CB C 19 64.060 65.477 -1.417 1
1 239 . 20 1 1 A 20 20 PRO CA C 20 64.803 64.788 0.015 1
1 240 . 20 1 1 A 20 20 PRO HA H 20 4.549 4.458 0.091 1
1 241 . 20 1 1 A 20 20 PRO CB C 20 31.894 32.132 -0.238 1
1 249 . 20 1 1 A 20 20 PRO C C 20 176.679 178.117 -1.438 1
1 250 . 20 1 1 A 21 21 ARG N N 21 113.864 118.414 -4.550 1
1 251 . 20 1 1 A 21 21 ARG H H 21 7.687 8.269 -0.582 1
1 252 . 20 1 1 A 21 21 ARG CA C 21 56.119 58.816 -2.697 1
1 253 . 20 1 1 A 21 21 ARG HA H 21 4.598 4.165 0.433 1
1 254 . 20 1 1 A 21 21 ARG CB C 21 30.299 30.087 0.212 1
1 263 . 20 1 1 A 21 21 ARG C C 21 176.369 176.817 -0.448 1
1 264 . 20 1 1 A 22 22 GLU N N 22 121.539 120.000 1.539 1
1 265 . 20 1 1 A 22 22 GLU H H 22 7.842 7.766 0.076 1
1 266 . 20 1 1 A 22 22 GLU CA C 22 54.951 56.323 -1.372 1
1 267 . 20 1 1 A 22 22 GLU HA H 22 5.484 4.652 0.832 1
1 268 . 20 1 1 A 22 22 GLU CB C 22 33.535 31.257 2.278 1
1 274 . 20 1 1 A 22 22 GLU C C 22 174.375 175.702 -1.327 1
1 275 . 20 1 1 A 23 23 VAL N N 23 111.923 119.042 -7.119 1
1 276 . 20 1 1 A 23 23 VAL H H 23 7.373 8.416 -1.043 1
1 277 . 20 1 1 A 23 23 VAL CA C 23 59.570 59.641 -0.071 1
1 278 . 20 1 1 A 23 23 VAL HA H 23 4.531 5.139 -0.608 1
1 279 . 20 1 1 A 23 23 VAL CB C 23 34.667 36.179 -1.512 1
1 289 . 20 1 1 A 23 23 VAL C C 23 172.625 173.978 -1.353 1
1 290 . 20 1 1 A 24 24 THR N N 24 117.656 116.318 1.338 1
1 291 . 20 1 1 A 24 24 THR H H 24 7.112 8.770 -1.658 1
1 292 . 20 1 1 A 24 24 THR CA C 24 61.994 60.148 1.846 1
1 293 . 20 1 1 A 24 24 THR HA H 24 5.119 5.215 -0.096 1
1 294 . 20 1 1 A 24 24 THR CB C 24 71.220 71.821 -0.601 1
1 300 . 20 1 1 A 24 24 THR C C 24 174.309 171.773 2.536 1
1 301 . 20 1 1 A 25 25 MET N N 25 122.056 123.456 -1.400 1
1 302 . 20 1 1 A 25 25 MET H H 25 9.515 8.909 0.606 1
1 303 . 20 1 1 A 25 25 MET CA C 25 54.247 54.427 -0.180 1
1 304 . 20 1 1 A 25 25 MET HA H 25 4.935 5.101 -0.166 1
1 305 . 20 1 1 A 25 25 MET CB C 25 36.287 37.763 -1.476 1
1 312 . 20 1 1 A 25 25 MET C C 25 173.777 174.798 -1.021 1
1 313 . 20 1 1 A 26 26 LYS N N 26 124.668 122.212 2.456 1
1 314 . 20 1 1 A 26 26 LYS H H 26 8.949 8.867 0.082 1
1 315 . 20 1 1 A 26 26 LYS CA C 26 53.476 54.260 -0.784 1
1 316 . 20 1 1 A 26 26 LYS HA H 26 4.896 5.359 -0.463 1
1 317 . 20 1 1 A 26 26 LYS CB C 26 34.097 36.178 -2.081 1
1 327 . 20 1 1 A 26 26 LYS C C 26 174.929 175.140 -0.211 1
1 328 . 20 1 1 A 27 27 LYS N N 27 122.567 123.541 -0.974 1
1 329 . 20 1 1 A 27 27 LYS H H 27 9.061 8.706 0.355 1
1 330 . 20 1 1 A 27 27 LYS CA C 27 58.539 58.532 0.007 1
1 331 . 20 1 1 A 27 27 LYS HA H 27 4.656 3.919 0.737 1
1 332 . 20 1 1 A 27 27 LYS CB C 27 32.202 31.962 0.240 1
1 344 . 20 1 1 A 27 27 LYS C C 27 177.344 177.293 0.051 1
1 345 . 20 1 1 A 28 28 GLY N N 28 115.884 112.891 2.993 1
1 346 . 20 1 1 A 28 28 GLY H H 28 8.900 8.977 -0.077 1
1 347 . 20 1 1 A 28 28 GLY CA C 28 44.779 45.093 -0.314 1
1 348 . 20 1 1 A 28 28 GLY HA2 H 28 3.523 3.939 -0.416 1
1 349 . 20 1 1 A 28 28 GLY HA3 H 28 4.469 3.948 0.521 1
1 350 . 20 1 1 A 28 28 GLY C C 28 174.021 174.168 -0.147 1
1 351 . 20 1 1 A 29 29 ASP N N 29 122.466 121.313 1.153 1
1 352 . 20 1 1 A 29 29 ASP H H 29 8.513 8.154 0.359 1
1 353 . 20 1 1 A 29 29 ASP CA C 29 55.711 53.613 2.098 1
1 354 . 20 1 1 A 29 29 ASP HA H 29 4.523 4.810 -0.287 1
1 355 . 20 1 1 A 29 29 ASP CB C 29 41.361 42.596 -1.235 1
1 358 . 20 1 1 A 29 29 ASP C C 29 174.331 175.577 -1.246 1
1 359 . 20 1 1 A 30 30 ILE N N 30 120.470 122.645 -2.175 1
1 360 . 20 1 1 A 30 30 ILE H H 30 8.204 8.378 -0.174 1
1 361 . 20 1 1 A 30 30 ILE CA C 30 60.164 60.365 -0.201 1
1 362 . 20 1 1 A 30 30 ILE HA H 30 5.025 5.206 -0.181 1
1 363 . 20 1 1 A 30 30 ILE CB C 30 38.257 41.489 -3.232 1
1 372 . 20 1 1 A 30 30 ILE C C 30 176.236 174.831 1.405 1
1 373 . 20 1 1 A 31 31 LEU N N 31 128.265 126.676 1.589 1
1 374 . 20 1 1 A 31 31 LEU H H 31 9.353 8.813 0.540 1
1 375 . 20 1 1 A 31 31 LEU CA C 31 53.601 53.708 -0.107 1
1 376 . 20 1 1 A 31 31 LEU HA H 31 4.998 5.020 -0.022 1
1 377 . 20 1 1 A 31 31 LEU CB C 31 43.893 45.712 -1.819 1
1 388 . 20 1 1 A 31 31 LEU C C 31 175.638 176.130 -0.492 1
1 389 . 20 1 1 A 32 32 THR N N 32 117.089 118.665 -1.576 1
1 390 . 20 1 1 A 32 32 THR H H 32 8.141 8.748 -0.607 1
1 391 . 20 1 1 A 32 32 THR CA C 32 63.263 63.041 0.222 1
1 392 . 20 1 1 A 32 32 THR HA H 32 4.619 4.477 0.142 1
1 393 . 20 1 1 A 32 32 THR CB C 32 69.867 69.361 0.506 1
1 399 . 20 1 1 A 32 32 THR C C 32 173.600 173.973 -0.373 1
1 400 . 20 1 1 A 33 33 LEU N N 33 129.212 128.478 0.734 1
1 401 . 20 1 1 A 33 33 LEU H H 33 9.070 8.849 0.221 1
1 402 . 20 1 1 A 33 33 LEU CA C 33 54.671 55.260 -0.589 1
1 403 . 20 1 1 A 33 33 LEU HA H 33 4.356 4.487 -0.131 1
1 404 . 20 1 1 A 33 33 LEU CB C 33 42.968 42.960 0.008 1
1 417 . 20 1 1 A 33 33 LEU C C 33 174.553 175.885 -1.332 1
1 418 . 20 1 1 A 34 34 LEU N N 34 125.880 127.277 -1.397 1
1 419 . 20 1 1 A 34 34 LEU H H 34 9.051 9.378 -0.327 1
1 420 . 20 1 1 A 34 34 LEU CA C 34 54.811 55.760 -0.949 1
1 421 . 20 1 1 A 34 34 LEU HA H 34 4.532 4.523 0.009 1
1 422 . 20 1 1 A 34 34 LEU CB C 34 42.977 43.727 -0.750 1
1 434 . 20 1 1 A 34 34 LEU C C 34 177.477 177.032 0.445 1
1 435 . 20 1 1 A 35 35 ASN N N 35 113.971 116.801 -2.830 1
1 436 . 20 1 1 A 35 35 ASN H H 35 7.600 7.723 -0.123 1
1 437 . 20 1 1 A 35 35 ASN CA C 35 54.543 53.248 1.295 1
1 438 . 20 1 1 A 35 35 ASN HA H 35 4.680 5.087 -0.407 1
1 439 . 20 1 1 A 35 35 ASN CB C 35 40.958 41.693 -0.735 1
1 443 . 20 1 1 A 35 35 ASN C C 35 174.375 173.758 0.617 1
1 444 . 20 1 1 A 36 36 SER N N 36 123.815 118.091 5.724 1
1 445 . 20 1 1 A 36 36 SER H H 36 9.194 8.514 0.680 1
1 446 . 20 1 1 A 36 36 SER CA C 36 56.692 56.698 -0.006 1
1 447 . 20 1 1 A 36 36 SER HA H 36 3.921 4.954 -1.033 1
1 448 . 20 1 1 A 36 36 SER CB C 36 62.180 62.796 -0.616 1
1 451 . 20 1 1 A 36 36 SER C C 36 173.401 175.374 -1.973 1
1 452 . 20 1 1 A 37 37 THR N N 37 115.041 115.946 -0.905 1
1 453 . 20 1 1 A 37 37 THR H H 37 8.178 7.798 0.380 1
1 454 . 20 1 1 A 37 37 THR CA C 37 65.484 64.685 0.799 1
1 455 . 20 1 1 A 37 37 THR HA H 37 4.528 4.163 0.365 1
1 456 . 20 1 1 A 37 37 THR CB C 37 69.416 69.154 0.262 1
1 462 . 20 1 1 A 37 37 THR C C 37 175.261 174.306 0.955 1
1 463 . 20 1 1 A 38 38 ASN N N 38 122.494 119.456 3.038 1
1 464 . 20 1 1 A 38 38 ASN H H 38 8.674 8.053 0.621 1
1 465 . 20 1 1 A 38 38 ASN CA C 38 53.188 51.606 1.582 1
1 466 . 20 1 1 A 38 38 ASN HA H 38 4.863 5.147 -0.284 1
1 467 . 20 1 1 A 38 38 ASN CB C 38 40.525 41.615 -1.090 1
1 470 . 20 1 1 A 38 38 ASN C C 38 174.575 175.946 -1.371 1
1 471 . 20 1 1 A 39 39 LYS N N 39 120.915 121.877 -0.962 1
1 472 . 20 1 1 A 39 39 LYS H H 39 8.510 8.548 -0.038 1
1 473 . 20 1 1 A 39 39 LYS CA C 39 58.333 57.042 1.291 1
1 474 . 20 1 1 A 39 39 LYS HA H 39 4.247 4.968 -0.721 1
1 475 . 20 1 1 A 39 39 LYS CB C 39 32.520 34.312 -1.792 1
1 485 . 20 1 1 A 39 39 LYS C C 39 176.236 177.965 -1.729 1
1 486 . 20 1 1 A 40 40 ASP N N 40 114.628 118.207 -3.579 1
1 487 . 20 1 1 A 40 40 ASP H H 40 8.173 7.991 0.182 1
1 488 . 20 1 1 A 40 40 ASP CA C 40 55.380 56.207 -0.827 1
1 489 . 20 1 1 A 40 40 ASP HA H 40 4.544 4.298 0.246 1
1 490 . 20 1 1 A 40 40 ASP CB C 40 43.415 42.008 1.407 1
1 493 . 20 1 1 A 40 40 ASP C C 40 176.967 175.959 1.008 1
1 494 . 20 1 1 A 41 41 TRP N N 41 122.703 115.892 6.811 1
1 495 . 20 1 1 A 41 41 TRP H H 41 8.209 7.649 0.560 1
1 496 . 20 1 1 A 41 41 TRP CA C 41 56.184 55.935 0.249 1
1 497 . 20 1 1 A 41 41 TRP HA H 41 5.075 5.347 -0.272 1
1 498 . 20 1 1 A 41 41 TRP CB C 41 32.019 33.646 -1.627 1
1 513 . 20 1 1 A 41 41 TRP C C 41 174.176 175.088 -0.912 1
1 514 . 20 1 1 A 42 42 TRP N N 42 124.895 122.042 2.853 1
1 515 . 20 1 1 A 42 42 TRP H H 42 9.366 9.023 0.343 1
1 516 . 20 1 1 A 42 42 TRP CA C 42 54.076 55.538 -1.462 1
1 517 . 20 1 1 A 42 42 TRP HA H 42 5.523 5.361 0.162 1
1 518 . 20 1 1 A 42 42 TRP CB C 42 31.447 32.777 -1.330 1
1 533 . 20 1 1 A 42 42 TRP C C 42 174.109 175.412 -1.303 1
1 534 . 20 1 1 A 43 43 LYS N N 43 124.120 124.524 -0.404 1
1 535 . 20 1 1 A 43 43 LYS H H 43 8.883 9.307 -0.424 1
1 536 . 20 1 1 A 43 43 LYS CA C 43 55.158 55.852 -0.694 1
1 537 . 20 1 1 A 43 43 LYS HA H 43 4.368 4.801 -0.433 1
1 538 . 20 1 1 A 43 43 LYS CB C 43 33.794 33.199 0.595 1
1 550 . 20 1 1 A 43 43 LYS C C 43 175.416 176.263 -0.847 1
1 551 . 20 1 1 A 44 44 VAL N N 44 122.055 120.546 1.509 1
1 552 . 20 1 1 A 44 44 VAL H H 44 9.427 8.973 0.454 1
1 553 . 20 1 1 A 44 44 VAL CA C 44 58.825 58.676 0.149 1
1 554 . 20 1 1 A 44 44 VAL HA H 44 5.375 5.320 0.055 1
1 555 . 20 1 1 A 44 44 VAL CB C 44 36.593 35.367 1.226 1
1 565 . 20 1 1 A 44 44 VAL C C 44 173.223 173.533 -0.310 1
1 566 . 20 1 1 A 45 45 GLU N N 45 118.673 122.481 -3.808 1
1 567 . 20 1 1 A 45 45 GLU H H 45 8.733 8.862 -0.129 1
1 568 . 20 1 1 A 45 45 GLU CA C 45 54.249 54.713 -0.464 1
1 569 . 20 1 1 A 45 45 GLU HA H 45 5.432 5.008 0.424 1
1 570 . 20 1 1 A 45 45 GLU CB C 45 33.286 31.561 1.725 1
1 576 . 20 1 1 A 45 45 GLU C C 45 174.774 175.918 -1.144 1
1 577 . 20 1 1 A 46 46 VAL N N 46 123.551 123.004 0.547 1
1 578 . 20 1 1 A 46 46 VAL H H 46 9.058 9.038 0.020 1
1 579 . 20 1 1 A 46 46 VAL CA C 46 59.627 59.994 -0.367 1
1 580 . 20 1 1 A 46 46 VAL HA H 46 4.669 4.888 -0.219 1
1 581 . 20 1 1 A 46 46 VAL CB C 46 35.290 33.940 1.350 1
1 590 . 20 1 1 A 46 46 VAL C C 46 173.534 175.237 -1.703 1
1 591 . 20 1 1 A 47 47 LYS N N 47 124.992 121.043 3.949 1
1 592 . 20 1 1 A 47 47 LYS H H 47 8.446 8.305 0.141 1
1 593 . 20 1 1 A 47 47 LYS CA C 47 55.905 54.519 1.386 1
1 594 . 20 1 1 A 47 47 LYS HA H 47 4.763 4.944 -0.181 1
1 595 . 20 1 1 A 47 47 LYS CB C 47 33.450 35.569 -2.119 1
1 605 . 20 1 1 A 47 47 LYS C C 47 175.306 175.430 -0.124 1
1 606 . 20 1 1 A 48 48 ALA N N 48 128.781 123.302 5.479 1
1 607 . 20 1 1 A 48 48 ALA H H 48 8.757 8.644 0.113 1
1 608 . 20 1 1 A 48 48 ALA CA C 48 50.828 49.862 0.966 1
1 609 . 20 1 1 A 48 48 ALA HA H 48 4.616 5.164 -0.548 1
1 613 . 20 1 1 A 48 48 ALA CB C 48 21.741 23.200 -1.459 1
1 614 . 20 1 1 A 48 48 ALA C C 48 175.173 175.469 -0.296 1
1 615 . 20 1 1 A 49 49 THR N N 49 113.585 114.624 -1.039 1
1 616 . 20 1 1 A 49 49 THR H H 49 8.333 8.442 -0.109 1
1 617 . 20 1 1 A 49 49 THR CA C 49 60.826 61.102 -0.276 1
1 618 . 20 1 1 A 49 49 THR HA H 49 5.257 5.441 -0.184 1
1 619 . 20 1 1 A 49 49 THR CB C 49 71.045 71.126 -0.081 1
1 624 . 20 1 1 A 49 49 THR C C 49 174.176 173.358 0.818 1
1 625 . 20 1 1 A 50 50 ALA N N 50 127.142 126.807 0.335 1
1 626 . 20 1 1 A 50 50 ALA H H 50 8.914 8.936 -0.022 1
1 627 . 20 1 1 A 50 50 ALA CA C 50 52.345 51.501 0.844 1
1 628 . 20 1 1 A 50 50 ALA HA H 50 4.603 4.625 -0.022 1
1 632 . 20 1 1 A 50 50 ALA CB C 50 20.935 22.816 -1.881 1
1 633 . 20 1 1 A 50 50 ALA C C 50 177.299 175.678 1.621 1
1 634 . 20 1 1 A 51 51 ASN N N 51 121.555 120.862 0.693 1
1 635 . 20 1 1 A 51 51 ASN H H 51 9.491 9.361 0.130 1
1 636 . 20 1 1 A 51 51 ASN CA C 51 54.177 54.456 -0.279 1
1 637 . 20 1 1 A 51 51 ASN HA H 51 4.389 4.442 -0.053 1
1 638 . 20 1 1 A 51 51 ASN CB C 51 37.413 37.281 0.132 1
1 641 . 20 1 1 A 51 51 ASN C C 51 175.106 175.577 -0.471 1
1 642 . 20 1 1 A 52 52 GLY N N 52 103.942 103.942 0.000 1
1 643 . 20 1 1 A 52 52 GLY H H 52 8.681 8.690 -0.009 1
1 644 . 20 1 1 A 52 52 GLY CA C 52 45.443 45.959 -0.516 1
1 645 . 20 1 1 A 52 52 GLY HA2 H 52 3.624 3.872 -0.248 1
1 646 . 20 1 1 A 52 52 GLY HA3 H 52 4.143 3.873 0.270 1
1 647 . 20 1 1 A 52 52 GLY C C 52 173.666 173.834 -0.168 1
1 648 . 20 1 1 A 53 53 LYS N N 53 121.213 120.491 0.722 1
1 649 . 20 1 1 A 53 53 LYS H H 53 7.893 7.950 -0.057 1
1 650 . 20 1 1 A 53 53 LYS CA C 53 54.807 54.875 -0.068 1
1 651 . 20 1 1 A 53 53 LYS HA H 53 4.727 4.948 -0.221 1
1 652 . 20 1 1 A 53 53 LYS CB C 53 34.737 36.062 -1.325 1
1 664 . 20 1 1 A 53 53 LYS C C 53 175.239 175.165 0.074 1
1 665 . 20 1 1 A 54 54 THR N N 54 118.501 114.368 4.133 1
1 666 . 20 1 1 A 54 54 THR H H 54 8.498 8.868 -0.370 1
1 667 . 20 1 1 A 54 54 THR CA C 54 61.925 60.445 1.480 1
1 668 . 20 1 1 A 54 54 THR HA H 54 5.117 5.768 -0.651 1
1 669 . 20 1 1 A 54 54 THR CB C 54 70.294 70.685 -0.391 1
1 675 . 20 1 1 A 54 54 THR C C 54 173.733 173.916 -0.183 1
1 676 . 20 1 1 A 55 55 TYR N N 55 125.105 119.481 5.624 1
1 677 . 20 1 1 A 55 55 TYR H H 55 9.122 8.944 0.178 1
1 678 . 20 1 1 A 55 55 TYR CA C 55 56.149 55.258 0.891 1
1 679 . 20 1 1 A 55 55 TYR HA H 55 4.857 5.550 -0.693 1
1 680 . 20 1 1 A 55 55 TYR CB C 55 40.090 42.024 -1.934 1
1 691 . 20 1 1 A 55 55 TYR C C 55 172.847 173.218 -0.371 1
1 692 . 20 1 1 A 56 56 GLU N N 56 119.744 121.267 -1.523 1
1 693 . 20 1 1 A 56 56 GLU H H 56 8.503 8.890 -0.387 1
1 694 . 20 1 1 A 56 56 GLU CA C 56 54.739 56.054 -1.315 1
1 695 . 20 1 1 A 56 56 GLU HA H 56 5.030 5.015 0.015 1
1 696 . 20 1 1 A 56 56 GLU CB C 56 30.297 31.707 -1.410 1
1 701 . 20 1 1 A 56 56 GLU C C 56 175.394 176.358 -0.964 1
1 702 . 20 1 1 A 57 57 ARG N N 57 123.665 121.308 2.357 1
1 703 . 20 1 1 A 57 57 ARG H H 57 8.897 9.380 -0.483 1
1 704 . 20 1 1 A 57 57 ARG CA C 57 54.944 54.514 0.430 1
1 705 . 20 1 1 A 57 57 ARG HA H 57 4.663 5.033 -0.370 1
1 706 . 20 1 1 A 57 57 ARG CB C 57 33.471 33.904 -0.433 1
1 713 . 20 1 1 A 57 57 ARG C C 57 174.198 174.387 -0.189 1
1 714 . 20 1 1 A 58 58 GLN N N 58 119.967 121.698 -1.731 1
1 715 . 20 1 1 A 58 58 GLN H H 58 8.604 8.514 0.090 1
1 716 . 20 1 1 A 58 58 GLN CA C 58 53.394 54.775 -1.381 1
1 717 . 20 1 1 A 58 58 GLN HA H 58 5.602 5.050 0.552 1
1 718 . 20 1 1 A 58 58 GLN CB C 58 31.229 30.568 0.661 1
1 724 . 20 1 1 A 58 58 GLN C C 58 175.771 175.975 -0.204 1
1 725 . 20 1 1 A 59 59 GLY N N 59 107.507 108.862 -1.355 1
1 726 . 20 1 1 A 59 59 GLY H H 59 8.652 8.658 -0.006 1
1 727 . 20 1 1 A 59 59 GLY CA C 59 45.583 45.559 0.024 1
1 728 . 20 1 1 A 59 59 GLY HA2 H 59 3.947 4.222 -0.275 1
1 729 . 20 1 1 A 59 59 GLY HA3 H 59 3.947 4.332 -0.385 1
1 730 . 20 1 1 A 59 59 GLY C C 59 170.255 171.631 -1.376 1
1 731 . 20 1 1 A 60 60 PHE N N 60 119.079 119.373 -0.294 1
1 732 . 20 1 1 A 60 60 PHE H H 60 9.153 8.766 0.387 1
1 733 . 20 1 1 A 60 60 PHE CA C 60 58.544 56.335 2.209 1
1 734 . 20 1 1 A 60 60 PHE HA H 60 5.666 5.685 -0.019 1
1 735 . 20 1 1 A 60 60 PHE CB C 60 42.484 41.907 0.577 1
1 748 . 20 1 1 A 60 60 PHE C C 60 175.461 175.389 0.072 1
1 749 . 20 1 1 A 61 61 VAL N N 61 110.995 117.034 -6.039 1
1 750 . 20 1 1 A 61 61 VAL H H 61 9.065 9.095 -0.030 1
1 751 . 20 1 1 A 61 61 VAL CA C 61 58.189 58.196 -0.007 1
1 752 . 20 1 1 A 61 61 VAL HA H 61 4.823 5.050 -0.227 1
1 753 . 20 1 1 A 61 61 VAL CB C 61 33.521 34.145 -0.624 1
1 764 . 20 1 1 A 62 62 PRO CA C 62 61.852 61.803 0.049 1
1 765 . 20 1 1 A 62 62 PRO HA H 62 3.556 3.694 -0.138 1
1 766 . 20 1 1 A 62 62 PRO CB C 62 29.777 30.761 -0.984 1
1 774 . 20 1 1 A 62 62 PRO C C 62 177.787 177.256 0.531 1
1 775 . 20 1 1 A 63 63 ALA N N 63 129.142 127.795 1.347 1
1 776 . 20 1 1 A 63 63 ALA H H 63 7.477 8.111 -0.634 1
1 777 . 20 1 1 A 63 63 ALA CA C 63 54.472 53.586 0.886 1
1 778 . 20 1 1 A 63 63 ALA HA H 63 2.652 3.046 -0.394 1
1 782 . 20 1 1 A 63 63 ALA CB C 63 15.666 17.198 -1.532 1
1 783 . 20 1 1 A 63 63 ALA C C 63 178.429 178.547 -0.118 1
1 784 . 20 1 1 A 64 64 ALA N N 64 113.522 119.390 -5.868 1
1 785 . 20 1 1 A 64 64 ALA H H 64 7.867 7.366 0.501 1
1 786 . 20 1 1 A 64 64 ALA CA C 64 52.768 54.242 -1.474 1
1 787 . 20 1 1 A 64 64 ALA HA H 64 4.006 3.967 0.039 1
1 791 . 20 1 1 A 64 64 ALA CB C 64 17.629 18.060 -0.431 1
1 792 . 20 1 1 A 64 64 ALA C C 64 178.097 178.095 0.002 1
1 793 . 20 1 1 A 65 65 TYR N N 65 116.109 116.395 -0.286 1
1 794 . 20 1 1 A 65 65 TYR H H 65 7.698 7.938 -0.240 1
1 795 . 20 1 1 A 65 65 TYR CA C 65 56.328 58.890 -2.562 1
1 796 . 20 1 1 A 65 65 TYR HA H 65 4.758 4.777 -0.019 1
1 797 . 20 1 1 A 65 65 TYR CB C 65 37.765 39.953 -2.188 1
1 808 . 20 1 1 A 65 65 TYR C C 65 174.375 175.790 -1.415 1
1 809 . 20 1 1 A 66 66 VAL N N 66 111.053 114.709 -3.656 1
1 810 . 20 1 1 A 66 66 VAL H H 66 7.415 7.157 0.258 1
1 811 . 20 1 1 A 66 66 VAL CA C 66 58.119 59.309 -1.190 1
1 812 . 20 1 1 A 66 66 VAL HA H 66 5.538 5.098 0.440 1
1 813 . 20 1 1 A 66 66 VAL CB C 66 35.809 34.644 1.165 1
1 823 . 20 1 1 A 66 66 VAL C C 66 173.511 174.313 -0.802 1
1 824 . 20 1 1 A 67 67 LYS N N 67 118.588 121.642 -3.054 1
1 825 . 20 1 1 A 67 67 LYS H H 67 8.631 8.767 -0.136 1
1 826 . 20 1 1 A 67 67 LYS CA C 67 54.035 55.168 -1.133 1
1 827 . 20 1 1 A 67 67 LYS HA H 67 4.830 5.196 -0.366 1
1 828 . 20 1 1 A 67 67 LYS CB C 67 36.779 36.600 0.179 1
1 838 . 20 1 1 A 67 67 LYS C C 67 175.992 175.195 0.797 1
1 839 . 20 1 1 A 68 68 LYS N N 68 125.838 122.606 3.232 1
1 840 . 20 1 1 A 68 68 LYS H H 68 9.227 8.431 0.796 1
1 841 . 20 1 1 A 68 68 LYS CA C 68 58.335 56.416 1.919 1
1 842 . 20 1 1 A 68 68 LYS HA H 68 4.494 4.224 0.270 1
1 843 . 20 1 1 A 68 68 LYS CB C 68 32.893 32.662 0.231 1
1 853 . 20 1 1 A 68 68 LYS C C 68 176.657 176.612 0.045 1
1 854 . 20 1 1 A 69 69 LEU N N 69 125.443 123.220 2.223 1
1 855 . 20 1 1 A 69 69 LEU H H 69 8.449 8.687 -0.238 1
1 856 . 20 1 1 A 69 69 LEU CA C 69 54.873 53.887 0.986 1
1 857 . 20 1 1 A 69 69 LEU HA H 69 4.437 4.651 -0.214 1
1 858 . 20 1 1 A 69 69 LEU CB C 69 42.345 41.352 0.993 1
1 871 . 20 1 1 A 69 69 LEU C C 69 176.147 176.428 -0.281 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 66 0.992 1
2 1 1 1 "RMS(OBS, PRED)" CA 68 1.091 1
3 1 1 1 "RMS(OBS, PRED)" CB 64 1.315 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.500 1
5 1 1 1 "RMS(OBS, PRED)" HA 72 0.352 1
6 1 1 1 "RMS(OBS, PRED)" N 66 3.389 1
7 1 2 1 "RMS(OBS, PRED)" C 66 1.026 1
8 1 2 1 "RMS(OBS, PRED)" CA 68 1.179 1
9 1 2 1 "RMS(OBS, PRED)" CB 64 1.449 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.496 1
11 1 2 1 "RMS(OBS, PRED)" HA 72 0.364 1
12 1 2 1 "RMS(OBS, PRED)" N 66 3.430 1
13 1 3 1 "RMS(OBS, PRED)" C 66 0.975 1
14 1 3 1 "RMS(OBS, PRED)" CA 68 1.182 1
15 1 3 1 "RMS(OBS, PRED)" CB 64 1.318 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.510 1
17 1 3 1 "RMS(OBS, PRED)" HA 72 0.377 1
18 1 3 1 "RMS(OBS, PRED)" N 66 3.113 1
19 1 4 1 "RMS(OBS, PRED)" C 66 1.055 1
20 1 4 1 "RMS(OBS, PRED)" CA 68 1.103 1
21 1 4 1 "RMS(OBS, PRED)" CB 64 1.275 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.500 1
23 1 4 1 "RMS(OBS, PRED)" HA 72 0.346 1
24 1 4 1 "RMS(OBS, PRED)" N 66 3.205 1
25 1 5 1 "RMS(OBS, PRED)" C 66 1.032 1
26 1 5 1 "RMS(OBS, PRED)" CA 68 1.209 1
27 1 5 1 "RMS(OBS, PRED)" CB 64 1.250 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.495 1
29 1 5 1 "RMS(OBS, PRED)" HA 72 0.350 1
30 1 5 1 "RMS(OBS, PRED)" N 66 3.387 1
31 1 6 1 "RMS(OBS, PRED)" C 66 1.010 1
32 1 6 1 "RMS(OBS, PRED)" CA 68 1.132 1
33 1 6 1 "RMS(OBS, PRED)" CB 64 1.287 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.497 1
35 1 6 1 "RMS(OBS, PRED)" HA 72 0.336 1
36 1 6 1 "RMS(OBS, PRED)" N 66 3.141 1
37 1 7 1 "RMS(OBS, PRED)" C 66 0.916 1
38 1 7 1 "RMS(OBS, PRED)" CA 68 1.155 1
39 1 7 1 "RMS(OBS, PRED)" CB 64 1.340 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.496 1
41 1 7 1 "RMS(OBS, PRED)" HA 72 0.367 1
42 1 7 1 "RMS(OBS, PRED)" N 66 3.564 1
43 1 8 1 "RMS(OBS, PRED)" C 66 0.948 1
44 1 8 1 "RMS(OBS, PRED)" CA 68 1.089 1
45 1 8 1 "RMS(OBS, PRED)" CB 64 1.242 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.500 1
47 1 8 1 "RMS(OBS, PRED)" HA 72 0.376 1
48 1 8 1 "RMS(OBS, PRED)" N 66 3.343 1
49 1 9 1 "RMS(OBS, PRED)" C 66 0.958 1
50 1 9 1 "RMS(OBS, PRED)" CA 68 1.118 1
51 1 9 1 "RMS(OBS, PRED)" CB 64 1.247 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.470 1
53 1 9 1 "RMS(OBS, PRED)" HA 72 0.366 1
54 1 9 1 "RMS(OBS, PRED)" N 66 3.269 1
55 1 10 1 "RMS(OBS, PRED)" C 66 0.981 1
56 1 10 1 "RMS(OBS, PRED)" CA 68 1.142 1
57 1 10 1 "RMS(OBS, PRED)" CB 64 1.302 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.499 1
59 1 10 1 "RMS(OBS, PRED)" HA 72 0.341 1
60 1 10 1 "RMS(OBS, PRED)" N 66 2.991 1
61 1 11 1 "RMS(OBS, PRED)" C 66 0.990 1
62 1 11 1 "RMS(OBS, PRED)" CA 68 1.164 1
63 1 11 1 "RMS(OBS, PRED)" CB 64 1.255 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.512 1
65 1 11 1 "RMS(OBS, PRED)" HA 72 0.384 1
66 1 11 1 "RMS(OBS, PRED)" N 66 3.210 1
67 1 12 1 "RMS(OBS, PRED)" C 66 0.976 1
68 1 12 1 "RMS(OBS, PRED)" CA 68 1.059 1
69 1 12 1 "RMS(OBS, PRED)" CB 64 1.335 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.516 1
71 1 12 1 "RMS(OBS, PRED)" HA 72 0.371 1
72 1 12 1 "RMS(OBS, PRED)" N 66 3.447 1
73 1 13 1 "RMS(OBS, PRED)" C 66 1.098 1
74 1 13 1 "RMS(OBS, PRED)" CA 68 1.149 1
75 1 13 1 "RMS(OBS, PRED)" CB 64 1.234 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.507 1
77 1 13 1 "RMS(OBS, PRED)" HA 72 0.349 1
78 1 13 1 "RMS(OBS, PRED)" N 66 3.166 1
79 1 14 1 "RMS(OBS, PRED)" C 66 1.090 1
80 1 14 1 "RMS(OBS, PRED)" CA 68 1.133 1
81 1 14 1 "RMS(OBS, PRED)" CB 64 1.211 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.472 1
83 1 14 1 "RMS(OBS, PRED)" HA 72 0.347 1
84 1 14 1 "RMS(OBS, PRED)" N 66 3.321 1
85 1 15 1 "RMS(OBS, PRED)" C 66 1.017 1
86 1 15 1 "RMS(OBS, PRED)" CA 68 1.123 1
87 1 15 1 "RMS(OBS, PRED)" CB 64 1.346 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.494 1
89 1 15 1 "RMS(OBS, PRED)" HA 72 0.379 1
90 1 15 1 "RMS(OBS, PRED)" N 66 3.959 1
91 1 16 1 "RMS(OBS, PRED)" C 66 1.134 1
92 1 16 1 "RMS(OBS, PRED)" CA 68 1.225 1
93 1 16 1 "RMS(OBS, PRED)" CB 64 1.177 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.481 1
95 1 16 1 "RMS(OBS, PRED)" HA 72 0.391 1
96 1 16 1 "RMS(OBS, PRED)" N 66 3.502 1
97 1 17 1 "RMS(OBS, PRED)" C 66 1.023 1
98 1 17 1 "RMS(OBS, PRED)" CA 68 1.257 1
99 1 17 1 "RMS(OBS, PRED)" CB 64 1.315 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.505 1
101 1 17 1 "RMS(OBS, PRED)" HA 72 0.378 1
102 1 17 1 "RMS(OBS, PRED)" N 66 3.314 1
103 1 18 1 "RMS(OBS, PRED)" C 66 1.074 1
104 1 18 1 "RMS(OBS, PRED)" CA 68 1.112 1
105 1 18 1 "RMS(OBS, PRED)" CB 64 1.237 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.494 1
107 1 18 1 "RMS(OBS, PRED)" HA 72 0.360 1
108 1 18 1 "RMS(OBS, PRED)" N 66 3.388 1
109 1 19 1 "RMS(OBS, PRED)" C 66 0.956 1
110 1 19 1 "RMS(OBS, PRED)" CA 68 1.174 1
111 1 19 1 "RMS(OBS, PRED)" CB 64 1.422 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.529 1
113 1 19 1 "RMS(OBS, PRED)" HA 72 0.378 1
114 1 19 1 "RMS(OBS, PRED)" N 66 3.290 1
115 1 20 1 "RMS(OBS, PRED)" C 66 1.046 1
116 1 20 1 "RMS(OBS, PRED)" CA 68 1.150 1
117 1 20 1 "RMS(OBS, PRED)" CB 64 1.262 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.483 1
119 1 20 1 "RMS(OBS, PRED)" HA 72 0.365 1
120 1 20 1 "RMS(OBS, PRED)" N 66 3.470 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 10 . 1 1 A 2 2 ASP N N 2 123.485 118.936 4.549 2
1 11 . 1 1 A 2 2 ASP H H 2 8.809 8.435 0.374 2
1 12 . 1 1 A 2 2 ASP CA C 2 54.244 53.813 0.431 2
1 13 . 1 1 A 2 2 ASP HA H 2 4.673 4.709 -0.036 2
1 14 . 1 1 A 2 2 ASP CB C 2 40.452 40.228 0.223 2
1 17 . 1 1 A 2 2 ASP C C 2 175.771 175.800 -0.029 2
1 18 . 1 1 A 3 3 GLU N N 3 121.725 118.481 3.245 2
1 19 . 1 1 A 3 3 GLU H H 3 8.684 7.999 0.685 2
1 20 . 1 1 A 3 3 GLU CA C 3 56.162 55.903 0.259 2
1 21 . 1 1 A 3 3 GLU HA H 3 4.392 4.582 -0.190 2
1 22 . 1 1 A 3 3 GLU CB C 3 29.170 30.258 -1.088 2
1 28 . 1 1 A 3 3 GLU C C 3 176.546 175.335 1.211 2
1 29 . 1 1 A 4 4 THR N N 4 114.384 112.966 1.418 2
1 30 . 1 1 A 4 4 THR H H 4 8.303 8.088 0.215 2
1 31 . 1 1 A 4 4 THR CA C 4 62.347 60.950 1.397 2
1 32 . 1 1 A 4 4 THR HA H 4 4.278 4.839 -0.561 2
1 33 . 1 1 A 4 4 THR CB C 4 69.672 71.092 -1.420 2
1 39 . 1 1 A 4 4 THR C C 4 175.306 173.313 1.993 2
1 40 . 1 1 A 5 5 GLY N N 5 111.296 112.395 -1.099 2
1 41 . 1 1 A 5 5 GLY H H 5 8.422 8.507 -0.085 2
1 42 . 1 1 A 5 5 GLY CA C 5 45.302 45.574 -0.272 2
1 43 . 1 1 A 5 5 GLY HA2 H 5 3.928 4.037 -0.109 2
1 44 . 1 1 A 5 5 GLY HA3 H 5 3.928 4.037 -0.109 2
1 45 . 1 1 A 5 5 GLY C C 5 173.689 175.048 -1.359 2
1 46 . 1 1 A 6 6 LYS N N 6 119.850 118.477 1.373 2
1 47 . 1 1 A 6 6 LYS H H 6 8.008 8.066 -0.058 2
1 48 . 1 1 A 6 6 LYS CA C 6 55.401 57.617 -2.216 2
1 49 . 1 1 A 6 6 LYS HA H 6 4.381 4.294 0.087 2
1 50 . 1 1 A 6 6 LYS CB C 6 33.225 33.770 -0.545 2
1 62 . 1 1 A 6 6 LYS C C 6 175.948 176.537 -0.589 2
1 63 . 1 1 A 7 7 GLU N N 7 122.488 117.000 5.488 2
1 64 . 1 1 A 7 7 GLU H H 7 8.577 7.707 0.870 2
1 65 . 1 1 A 7 7 GLU CA C 7 55.690 55.983 -0.293 2
1 66 . 1 1 A 7 7 GLU HA H 7 4.495 4.645 -0.150 2
1 67 . 1 1 A 7 7 GLU CB C 7 30.382 32.058 -1.676 2
1 73 . 1 1 A 7 7 GLU C C 7 174.109 174.514 -0.405 2
1 74 . 1 1 A 8 8 LEU N N 8 123.063 125.470 -2.407 2
1 75 . 1 1 A 8 8 LEU H H 8 8.485 8.689 -0.204 2
1 76 . 1 1 A 8 8 LEU CA C 8 53.331 53.699 -0.368 2
1 77 . 1 1 A 8 8 LEU HA H 8 5.381 4.994 0.387 2
1 78 . 1 1 A 8 8 LEU CB C 8 45.077 45.058 0.019 2
1 91 . 1 1 A 8 8 LEU C C 8 177.344 176.029 1.315 2
1 92 . 1 1 A 9 9 VAL N N 9 111.683 118.043 -6.360 2
1 93 . 1 1 A 9 9 VAL H H 9 9.111 9.314 -0.203 2
1 94 . 1 1 A 9 9 VAL CA C 9 57.854 59.168 -1.314 2
1 95 . 1 1 A 9 9 VAL HA H 9 5.214 5.007 0.207 2
1 96 . 1 1 A 9 9 VAL CB C 9 35.864 35.177 0.687 2
1 106 . 1 1 A 9 9 VAL C C 9 172.404 174.036 -1.632 2
1 107 . 1 1 A 10 10 LEU N N 10 123.366 126.594 -3.228 2
1 108 . 1 1 A 10 10 LEU H H 10 8.971 9.151 -0.180 2
1 109 . 1 1 A 10 10 LEU CA C 10 52.445 53.584 -1.139 2
1 110 . 1 1 A 10 10 LEU HA H 10 5.100 5.074 0.026 2
1 111 . 1 1 A 10 10 LEU CB C 10 46.711 44.603 2.108 2
1 124 . 1 1 A 10 10 LEU C C 10 176.568 175.507 1.061 2
1 125 . 1 1 A 11 11 ALA N N 11 127.241 128.960 -1.719 2
1 126 . 1 1 A 11 11 ALA H H 11 9.160 9.074 0.086 2
1 127 . 1 1 A 11 11 ALA CA C 11 52.416 51.289 1.127 2
1 128 . 1 1 A 11 11 ALA HA H 11 4.610 4.503 0.107 2
1 132 . 1 1 A 11 11 ALA CB C 11 19.051 18.796 0.255 2
1 133 . 1 1 A 11 11 ALA C C 11 178.252 177.573 0.679 2
1 134 . 1 1 A 12 12 LEU N N 12 127.842 126.038 1.804 2
1 135 . 1 1 A 12 12 LEU H H 12 9.257 8.807 0.450 2
1 136 . 1 1 A 12 12 LEU CA C 12 55.585 57.000 -1.415 2
1 137 . 1 1 A 12 12 LEU HA H 12 3.884 4.038 -0.154 2
1 138 . 1 1 A 12 12 LEU CB C 12 43.192 42.288 0.904 2
1 151 . 1 1 A 12 12 LEU C C 12 174.951 176.492 -1.541 2
1 152 . 1 1 A 13 13 TYR N N 13 111.673 115.380 -3.707 2
1 153 . 1 1 A 13 13 TYR H H 13 7.129 7.801 -0.672 2
1 154 . 1 1 A 13 13 TYR CA C 13 54.530 56.469 -1.939 2
1 155 . 1 1 A 13 13 TYR HA H 13 4.617 5.069 -0.452 2
1 156 . 1 1 A 13 13 TYR CB C 13 42.982 41.549 1.433 2
1 167 . 1 1 A 13 13 TYR C C 13 173.600 175.241 -1.641 2
1 168 . 1 1 A 14 14 ASP N N 14 117.888 121.913 -4.025 2
1 169 . 1 1 A 14 14 ASP H H 14 8.328 8.723 -0.395 2
1 170 . 1 1 A 14 14 ASP CA C 14 54.527 53.746 0.781 2
1 171 . 1 1 A 14 14 ASP HA H 14 4.615 5.003 -0.388 2
1 172 . 1 1 A 14 14 ASP CB C 14 41.351 42.133 -0.782 2
1 175 . 1 1 A 14 14 ASP C C 14 176.125 174.958 1.167 2
1 176 . 1 1 A 15 15 TYR N N 15 120.102 122.483 -2.381 2
1 177 . 1 1 A 15 15 TYR H H 15 8.733 8.877 -0.144 2
1 178 . 1 1 A 15 15 TYR CA C 15 59.669 57.257 2.412 2
1 179 . 1 1 A 15 15 TYR HA H 15 4.662 5.175 -0.513 2
1 180 . 1 1 A 15 15 TYR CB C 15 43.400 42.125 1.275 2
1 191 . 1 1 A 15 15 TYR C C 15 172.803 173.575 -0.772 2
1 192 . 1 1 A 16 16 GLN N N 16 126.945 123.127 3.818 2
1 193 . 1 1 A 16 16 GLN H H 16 7.546 7.924 -0.378 2
1 194 . 1 1 A 16 16 GLN CA C 16 53.820 54.904 -1.084 2
1 195 . 1 1 A 16 16 GLN HA H 16 4.500 4.857 -0.357 2
1 196 . 1 1 A 16 16 GLN CB C 16 29.378 30.227 -0.849 2
1 202 . 1 1 A 16 16 GLN C C 16 173.910 174.703 -0.793 2
1 203 . 1 1 A 17 17 GLU N N 17 123.035 124.903 -1.868 2
1 204 . 1 1 A 17 17 GLU H H 17 7.930 8.900 -0.970 2
1 205 . 1 1 A 17 17 GLU CA C 17 56.078 56.807 -0.729 2
1 206 . 1 1 A 17 17 GLU HA H 17 4.211 4.261 -0.050 2
1 207 . 1 1 A 17 17 GLU CB C 17 29.520 30.256 -0.736 2
1 213 . 1 1 A 17 17 GLU C C 17 175.926 176.864 -0.938 2
1 214 . 1 1 A 18 18 LYS N N 18 120.770 119.798 0.972 2
1 215 . 1 1 A 18 18 LYS H H 18 8.801 8.812 -0.011 2
1 216 . 1 1 A 18 18 LYS CA C 18 55.164 56.170 -1.006 2
1 217 . 1 1 A 18 18 LYS HA H 18 4.424 4.626 -0.202 2
1 218 . 1 1 A 18 18 LYS CB C 18 33.328 34.235 -0.907 2
1 230 . 1 1 A 18 18 LYS C C 18 176.192 176.029 0.163 2
1 231 . 1 1 A 19 19 SER N N 19 114.841 113.667 1.174 2
1 232 . 1 1 A 19 19 SER H H 19 7.619 7.689 -0.070 2
1 233 . 1 1 A 19 19 SER CA C 19 56.678 55.553 1.125 2
1 234 . 1 1 A 19 19 SER HA H 19 4.863 4.987 -0.124 2
1 235 . 1 1 A 19 19 SER CB C 19 64.060 65.288 -1.228 2
1 239 . 1 1 A 20 20 PRO CA C 20 64.803 64.529 0.274 2
1 240 . 1 1 A 20 20 PRO HA H 20 4.549 4.513 0.036 2
1 241 . 1 1 A 20 20 PRO CB C 20 31.894 31.914 -0.020 2
1 249 . 1 1 A 20 20 PRO C C 20 176.679 177.541 -0.861 2
1 250 . 1 1 A 21 21 ARG N N 21 113.864 116.997 -3.133 2
1 251 . 1 1 A 21 21 ARG H H 21 7.687 8.212 -0.525 2
1 252 . 1 1 A 21 21 ARG CA C 21 56.119 56.694 -0.575 2
1 253 . 1 1 A 21 21 ARG HA H 21 4.598 4.437 0.161 2
1 254 . 1 1 A 21 21 ARG CB C 21 30.299 30.389 -0.090 2
1 263 . 1 1 A 21 21 ARG C C 21 176.369 175.712 0.657 2
1 264 . 1 1 A 22 22 GLU N N 22 121.539 120.680 0.859 2
1 265 . 1 1 A 22 22 GLU H H 22 7.842 7.439 0.403 2
1 266 . 1 1 A 22 22 GLU CA C 22 54.951 55.441 -0.490 2
1 267 . 1 1 A 22 22 GLU HA H 22 5.484 4.886 0.598 2
1 268 . 1 1 A 22 22 GLU CB C 22 33.535 32.727 0.808 2
1 274 . 1 1 A 22 22 GLU C C 22 174.375 174.985 -0.610 2
1 275 . 1 1 A 23 23 VAL N N 23 111.923 118.625 -6.702 2
1 276 . 1 1 A 23 23 VAL H H 23 7.373 8.680 -1.307 2
1 277 . 1 1 A 23 23 VAL CA C 23 59.570 59.624 -0.054 2
1 278 . 1 1 A 23 23 VAL HA H 23 4.531 5.167 -0.636 2
1 279 . 1 1 A 23 23 VAL CB C 23 34.667 36.148 -1.481 2
1 289 . 1 1 A 23 23 VAL C C 23 172.625 173.949 -1.324 2
1 290 . 1 1 A 24 24 THR N N 24 117.656 115.751 1.905 2
1 291 . 1 1 A 24 24 THR H H 24 7.112 8.808 -1.696 2
1 292 . 1 1 A 24 24 THR CA C 24 61.994 60.508 1.486 2
1 293 . 1 1 A 24 24 THR HA H 24 5.119 5.210 -0.091 2
1 294 . 1 1 A 24 24 THR CB C 24 71.220 71.198 0.022 2
1 300 . 1 1 A 24 24 THR C C 24 174.309 172.350 1.959 2
1 301 . 1 1 A 25 25 MET N N 25 122.056 122.538 -0.482 2
1 302 . 1 1 A 25 25 MET H H 25 9.515 9.014 0.501 2
1 303 . 1 1 A 25 25 MET CA C 25 54.247 54.057 0.190 2
1 304 . 1 1 A 25 25 MET HA H 25 4.935 5.150 -0.215 2
1 305 . 1 1 A 25 25 MET CB C 25 36.287 36.808 -0.521 2
1 312 . 1 1 A 25 25 MET C C 25 173.777 174.320 -0.543 2
1 313 . 1 1 A 26 26 LYS N N 26 124.668 119.885 4.783 2
1 314 . 1 1 A 26 26 LYS H H 26 8.949 8.737 0.212 2
1 315 . 1 1 A 26 26 LYS CA C 26 53.476 54.249 -0.773 2
1 316 . 1 1 A 26 26 LYS HA H 26 4.896 5.050 -0.154 2
1 317 . 1 1 A 26 26 LYS CB C 26 34.097 35.931 -1.834 2
1 327 . 1 1 A 26 26 LYS C C 26 174.929 175.947 -1.018 2
1 328 . 1 1 A 27 27 LYS N N 27 122.567 122.416 0.151 2
1 329 . 1 1 A 27 27 LYS H H 27 9.061 8.511 0.550 2
1 330 . 1 1 A 27 27 LYS CA C 27 58.539 57.636 0.903 2
1 331 . 1 1 A 27 27 LYS HA H 27 4.656 4.061 0.596 2
1 332 . 1 1 A 27 27 LYS CB C 27 32.202 31.988 0.214 2
1 344 . 1 1 A 27 27 LYS C C 27 177.344 177.106 0.238 2
1 345 . 1 1 A 28 28 GLY N N 28 115.884 112.810 3.074 2
1 346 . 1 1 A 28 28 GLY H H 28 8.900 9.144 -0.244 2
1 347 . 1 1 A 28 28 GLY CA C 28 44.779 45.303 -0.524 2
1 348 . 1 1 A 28 28 GLY HA2 H 28 3.523 3.927 -0.404 2
1 349 . 1 1 A 28 28 GLY HA3 H 28 4.469 3.931 0.538 2
1 350 . 1 1 A 28 28 GLY C C 28 174.021 173.915 0.106 2
1 351 . 1 1 A 29 29 ASP N N 29 122.466 120.576 1.890 2
1 352 . 1 1 A 29 29 ASP H H 29 8.513 8.035 0.478 2
1 353 . 1 1 A 29 29 ASP CA C 29 55.711 53.530 2.181 2
1 354 . 1 1 A 29 29 ASP HA H 29 4.523 4.936 -0.413 2
1 355 . 1 1 A 29 29 ASP CB C 29 41.361 42.782 -1.421 2
1 358 . 1 1 A 29 29 ASP C C 29 174.331 175.086 -0.755 2
1 359 . 1 1 A 30 30 ILE N N 30 120.470 121.574 -1.104 2
1 360 . 1 1 A 30 30 ILE H H 30 8.204 8.524 -0.320 2
1 361 . 1 1 A 30 30 ILE CA C 30 60.164 60.333 -0.169 2
1 362 . 1 1 A 30 30 ILE HA H 30 5.025 5.286 -0.261 2
1 363 . 1 1 A 30 30 ILE CB C 30 38.257 41.474 -3.217 2
1 372 . 1 1 A 30 30 ILE C C 30 176.236 174.888 1.348 2
1 373 . 1 1 A 31 31 LEU N N 31 128.265 126.719 1.546 2
1 374 . 1 1 A 31 31 LEU H H 31 9.353 8.925 0.428 2
1 375 . 1 1 A 31 31 LEU CA C 31 53.601 53.637 -0.036 2
1 376 . 1 1 A 31 31 LEU HA H 31 4.998 5.098 -0.100 2
1 377 . 1 1 A 31 31 LEU CB C 31 43.893 45.393 -1.500 2
1 388 . 1 1 A 31 31 LEU C C 31 175.638 176.018 -0.380 2
1 389 . 1 1 A 32 32 THR N N 32 117.089 119.558 -2.469 2
1 390 . 1 1 A 32 32 THR H H 32 8.141 8.695 -0.554 2
1 391 . 1 1 A 32 32 THR CA C 32 63.263 63.030 0.233 2
1 392 . 1 1 A 32 32 THR HA H 32 4.619 4.521 0.098 2
1 393 . 1 1 A 32 32 THR CB C 32 69.867 69.176 0.691 2
1 399 . 1 1 A 32 32 THR C C 32 173.600 174.288 -0.688 2
1 400 . 1 1 A 33 33 LEU N N 33 129.212 128.526 0.686 2
1 401 . 1 1 A 33 33 LEU H H 33 9.070 8.643 0.427 2
1 402 . 1 1 A 33 33 LEU CA C 33 54.671 55.808 -1.137 2
1 403 . 1 1 A 33 33 LEU HA H 33 4.356 4.390 -0.034 2
1 404 . 1 1 A 33 33 LEU CB C 33 42.968 42.466 0.502 2
1 417 . 1 1 A 33 33 LEU C C 33 174.553 175.951 -1.398 2
1 418 . 1 1 A 34 34 LEU N N 34 125.880 127.629 -1.749 2
1 419 . 1 1 A 34 34 LEU H H 34 9.051 9.363 -0.312 2
1 420 . 1 1 A 34 34 LEU CA C 34 54.811 55.884 -1.073 2
1 421 . 1 1 A 34 34 LEU HA H 34 4.532 4.454 0.079 2
1 422 . 1 1 A 34 34 LEU CB C 34 42.977 43.160 -0.183 2
1 434 . 1 1 A 34 34 LEU C C 34 177.477 176.824 0.653 2
1 435 . 1 1 A 35 35 ASN N N 35 113.971 115.811 -1.840 2
1 436 . 1 1 A 35 35 ASN H H 35 7.600 7.741 -0.141 2
1 437 . 1 1 A 35 35 ASN CA C 35 54.543 52.778 1.765 2
1 438 . 1 1 A 35 35 ASN HA H 35 4.680 5.103 -0.422 2
1 439 . 1 1 A 35 35 ASN CB C 35 40.958 41.629 -0.671 2
1 443 . 1 1 A 35 35 ASN C C 35 174.375 174.137 0.238 2
1 444 . 1 1 A 36 36 SER N N 36 123.815 117.525 6.290 2
1 445 . 1 1 A 36 36 SER H H 36 9.194 8.500 0.694 2
1 446 . 1 1 A 36 36 SER CA C 36 56.692 56.728 -0.036 2
1 447 . 1 1 A 36 36 SER HA H 36 3.921 4.857 -0.936 2
1 448 . 1 1 A 36 36 SER CB C 36 62.180 62.747 -0.567 2
1 451 . 1 1 A 36 36 SER C C 36 173.401 175.329 -1.928 2
1 452 . 1 1 A 37 37 THR N N 37 115.041 115.915 -0.874 2
1 453 . 1 1 A 37 37 THR H H 37 8.178 7.806 0.372 2
1 454 . 1 1 A 37 37 THR CA C 37 65.484 64.966 0.518 2
1 455 . 1 1 A 37 37 THR HA H 37 4.528 4.116 0.412 2
1 456 . 1 1 A 37 37 THR CB C 37 69.416 69.058 0.358 2
1 462 . 1 1 A 37 37 THR C C 37 175.261 174.762 0.499 2
1 463 . 1 1 A 38 38 ASN N N 38 122.494 119.486 3.008 2
1 464 . 1 1 A 38 38 ASN H H 38 8.674 8.037 0.637 2
1 465 . 1 1 A 38 38 ASN CA C 38 53.188 52.041 1.147 2
1 466 . 1 1 A 38 38 ASN HA H 38 4.863 5.039 -0.176 2
1 467 . 1 1 A 38 38 ASN CB C 38 40.525 40.991 -0.466 2
1 470 . 1 1 A 38 38 ASN C C 38 174.575 175.560 -0.985 2
1 471 . 1 1 A 39 39 LYS N N 39 120.915 121.820 -0.905 2
1 472 . 1 1 A 39 39 LYS H H 39 8.510 8.637 -0.127 2
1 473 . 1 1 A 39 39 LYS CA C 39 58.333 56.693 1.640 2
1 474 . 1 1 A 39 39 LYS HA H 39 4.247 4.921 -0.674 2
1 475 . 1 1 A 39 39 LYS CB C 39 32.520 34.111 -1.591 2
1 485 . 1 1 A 39 39 LYS C C 39 176.236 177.495 -1.259 2
1 486 . 1 1 A 40 40 ASP N N 40 114.628 117.696 -3.068 2
1 487 . 1 1 A 40 40 ASP H H 40 8.173 7.861 0.312 2
1 488 . 1 1 A 40 40 ASP CA C 40 55.380 55.839 -0.459 2
1 489 . 1 1 A 40 40 ASP HA H 40 4.544 4.317 0.227 2
1 490 . 1 1 A 40 40 ASP CB C 40 43.415 42.396 1.019 2
1 493 . 1 1 A 40 40 ASP C C 40 176.967 175.620 1.347 2
1 494 . 1 1 A 41 41 TRP N N 41 122.703 115.597 7.106 2
1 495 . 1 1 A 41 41 TRP H H 41 8.209 7.623 0.586 2
1 496 . 1 1 A 41 41 TRP CA C 41 56.184 55.894 0.290 2
1 497 . 1 1 A 41 41 TRP HA H 41 5.075 5.380 -0.305 2
1 498 . 1 1 A 41 41 TRP CB C 41 32.019 33.339 -1.320 2
1 513 . 1 1 A 41 41 TRP C C 41 174.176 175.382 -1.206 2
1 514 . 1 1 A 42 42 TRP N N 42 124.895 122.928 1.967 2
1 515 . 1 1 A 42 42 TRP H H 42 9.366 9.120 0.246 2
1 516 . 1 1 A 42 42 TRP CA C 42 54.076 55.734 -1.658 2
1 517 . 1 1 A 42 42 TRP HA H 42 5.523 5.406 0.117 2
1 518 . 1 1 A 42 42 TRP CB C 42 31.447 32.667 -1.220 2
1 533 . 1 1 A 42 42 TRP C C 42 174.109 175.366 -1.257 2
1 534 . 1 1 A 43 43 LYS N N 43 124.120 124.334 -0.214 2
1 535 . 1 1 A 43 43 LYS H H 43 8.883 9.207 -0.324 2
1 536 . 1 1 A 43 43 LYS CA C 43 55.158 55.587 -0.429 2
1 537 . 1 1 A 43 43 LYS HA H 43 4.368 4.883 -0.515 2
1 538 . 1 1 A 43 43 LYS CB C 43 33.794 33.518 0.276 2
1 550 . 1 1 A 43 43 LYS C C 43 175.416 176.061 -0.645 2
1 551 . 1 1 A 44 44 VAL N N 44 122.055 120.695 1.360 2
1 552 . 1 1 A 44 44 VAL H H 44 9.427 9.070 0.357 2
1 553 . 1 1 A 44 44 VAL CA C 44 58.825 58.860 -0.035 2
1 554 . 1 1 A 44 44 VAL HA H 44 5.375 5.200 0.175 2
1 555 . 1 1 A 44 44 VAL CB C 44 36.593 35.294 1.299 2
1 565 . 1 1 A 44 44 VAL C C 44 173.223 173.525 -0.302 2
1 566 . 1 1 A 45 45 GLU N N 45 118.673 122.491 -3.818 2
1 567 . 1 1 A 45 45 GLU H H 45 8.733 8.917 -0.184 2
1 568 . 1 1 A 45 45 GLU CA C 45 54.249 54.827 -0.578 2
1 569 . 1 1 A 45 45 GLU HA H 45 5.432 5.106 0.326 2
1 570 . 1 1 A 45 45 GLU CB C 45 33.286 32.083 1.203 2
1 576 . 1 1 A 45 45 GLU C C 45 174.774 175.655 -0.881 2
1 577 . 1 1 A 46 46 VAL N N 46 123.551 123.211 0.340 2
1 578 . 1 1 A 46 46 VAL H H 46 9.058 9.133 -0.075 2
1 579 . 1 1 A 46 46 VAL CA C 46 59.627 59.989 -0.362 2
1 580 . 1 1 A 46 46 VAL HA H 46 4.669 4.917 -0.248 2
1 581 . 1 1 A 46 46 VAL CB C 46 35.290 34.184 1.106 2
1 590 . 1 1 A 46 46 VAL C C 46 173.534 174.998 -1.464 2
1 591 . 1 1 A 47 47 LYS N N 47 124.992 121.866 3.126 2
1 592 . 1 1 A 47 47 LYS H H 47 8.446 8.478 -0.032 2
1 593 . 1 1 A 47 47 LYS CA C 47 55.905 54.694 1.211 2
1 594 . 1 1 A 47 47 LYS HA H 47 4.763 4.962 -0.199 2
1 595 . 1 1 A 47 47 LYS CB C 47 33.450 35.195 -1.745 2
1 605 . 1 1 A 47 47 LYS C C 47 175.306 175.302 0.004 2
1 606 . 1 1 A 48 48 ALA N N 48 128.781 123.447 5.334 2
1 607 . 1 1 A 48 48 ALA H H 48 8.757 8.622 0.135 2
1 608 . 1 1 A 48 48 ALA CA C 48 50.828 50.325 0.503 2
1 609 . 1 1 A 48 48 ALA HA H 48 4.616 4.974 -0.358 2
1 613 . 1 1 A 48 48 ALA CB C 48 21.741 23.214 -1.473 2
1 614 . 1 1 A 48 48 ALA C C 48 175.173 175.287 -0.114 2
1 615 . 1 1 A 49 49 THR N N 49 113.585 115.524 -1.939 2
1 616 . 1 1 A 49 49 THR H H 49 8.333 8.468 -0.135 2
1 617 . 1 1 A 49 49 THR CA C 49 60.826 61.275 -0.449 2
1 618 . 1 1 A 49 49 THR HA H 49 5.257 5.406 -0.149 2
1 619 . 1 1 A 49 49 THR CB C 49 71.045 71.015 0.030 2
1 624 . 1 1 A 49 49 THR C C 49 174.176 173.390 0.786 2
1 625 . 1 1 A 50 50 ALA N N 50 127.142 127.093 0.049 2
1 626 . 1 1 A 50 50 ALA H H 50 8.914 8.964 -0.050 2
1 627 . 1 1 A 50 50 ALA CA C 50 52.345 51.286 1.059 2
1 628 . 1 1 A 50 50 ALA HA H 50 4.603 4.745 -0.142 2
1 632 . 1 1 A 50 50 ALA CB C 50 20.935 22.682 -1.747 2
1 633 . 1 1 A 50 50 ALA C C 50 177.299 176.166 1.133 2
1 634 . 1 1 A 51 51 ASN N N 51 121.555 121.742 -0.187 2
1 635 . 1 1 A 51 51 ASN H H 51 9.491 9.320 0.171 2
1 636 . 1 1 A 51 51 ASN CA C 51 54.177 54.404 -0.227 2
1 637 . 1 1 A 51 51 ASN HA H 51 4.389 4.448 -0.059 2
1 638 . 1 1 A 51 51 ASN CB C 51 37.413 37.165 0.248 2
1 641 . 1 1 A 51 51 ASN C C 51 175.106 175.546 -0.440 2
1 642 . 1 1 A 52 52 GLY N N 52 103.942 104.536 -0.594 2
1 643 . 1 1 A 52 52 GLY H H 52 8.681 8.675 0.006 2
1 644 . 1 1 A 52 52 GLY CA C 52 45.443 45.900 -0.457 2
1 645 . 1 1 A 52 52 GLY HA2 H 52 3.624 3.892 -0.268 2
1 646 . 1 1 A 52 52 GLY HA3 H 52 4.143 3.894 0.249 2
1 647 . 1 1 A 52 52 GLY C C 52 173.666 173.816 -0.150 2
1 648 . 1 1 A 53 53 LYS N N 53 121.213 120.166 1.047 2
1 649 . 1 1 A 53 53 LYS H H 53 7.893 7.981 -0.088 2
1 650 . 1 1 A 53 53 LYS CA C 53 54.807 54.485 0.322 2
1 651 . 1 1 A 53 53 LYS HA H 53 4.727 4.857 -0.130 2
1 652 . 1 1 A 53 53 LYS CB C 53 34.737 35.561 -0.824 2
1 664 . 1 1 A 53 53 LYS C C 53 175.239 175.330 -0.091 2
1 665 . 1 1 A 54 54 THR N N 54 118.501 114.576 3.925 2
1 666 . 1 1 A 54 54 THR H H 54 8.498 8.856 -0.358 2
1 667 . 1 1 A 54 54 THR CA C 54 61.925 60.866 1.059 2
1 668 . 1 1 A 54 54 THR HA H 54 5.117 5.508 -0.391 2
1 669 . 1 1 A 54 54 THR CB C 54 70.294 70.447 -0.153 2
1 675 . 1 1 A 54 54 THR C C 54 173.733 173.819 -0.086 2
1 676 . 1 1 A 55 55 TYR N N 55 125.105 119.536 5.569 2
1 677 . 1 1 A 55 55 TYR H H 55 9.122 9.096 0.026 2
1 678 . 1 1 A 55 55 TYR CA C 55 56.149 55.269 0.880 2
1 679 . 1 1 A 55 55 TYR HA H 55 4.857 5.533 -0.676 2
1 680 . 1 1 A 55 55 TYR CB C 55 40.090 41.860 -1.770 2
1 691 . 1 1 A 55 55 TYR C C 55 172.847 173.107 -0.260 2
1 692 . 1 1 A 56 56 GLU N N 56 119.744 120.297 -0.553 2
1 693 . 1 1 A 56 56 GLU H H 56 8.503 8.894 -0.391 2
1 694 . 1 1 A 56 56 GLU CA C 56 54.739 55.218 -0.479 2
1 695 . 1 1 A 56 56 GLU HA H 56 5.030 5.244 -0.214 2
1 696 . 1 1 A 56 56 GLU CB C 56 30.297 32.680 -2.383 2
1 701 . 1 1 A 56 56 GLU C C 56 175.394 175.914 -0.520 2
1 702 . 1 1 A 57 57 ARG N N 57 123.665 120.502 3.163 2
1 703 . 1 1 A 57 57 ARG H H 57 8.897 9.213 -0.316 2
1 704 . 1 1 A 57 57 ARG CA C 57 54.944 54.422 0.522 2
1 705 . 1 1 A 57 57 ARG HA H 57 4.663 5.070 -0.407 2
1 706 . 1 1 A 57 57 ARG CB C 57 33.471 33.862 -0.391 2
1 713 . 1 1 A 57 57 ARG C C 57 174.198 174.429 -0.231 2
1 714 . 1 1 A 58 58 GLN N N 58 119.967 121.742 -1.775 2
1 715 . 1 1 A 58 58 GLN H H 58 8.604 8.549 0.055 2
1 716 . 1 1 A 58 58 GLN CA C 58 53.394 54.826 -1.432 2
1 717 . 1 1 A 58 58 GLN HA H 58 5.602 5.024 0.578 2
1 718 . 1 1 A 58 58 GLN CB C 58 31.229 30.370 0.859 2
1 724 . 1 1 A 58 58 GLN C C 58 175.771 175.841 -0.070 2
1 725 . 1 1 A 59 59 GLY N N 59 107.507 109.005 -1.498 2
1 726 . 1 1 A 59 59 GLY H H 59 8.652 8.692 -0.040 2
1 727 . 1 1 A 59 59 GLY CA C 59 45.583 45.422 0.161 2
1 728 . 1 1 A 59 59 GLY HA2 H 59 3.947 4.248 -0.301 2
1 729 . 1 1 A 59 59 GLY HA3 H 59 3.947 4.349 -0.402 2
1 730 . 1 1 A 59 59 GLY C C 59 170.255 171.732 -1.477 2
1 731 . 1 1 A 60 60 PHE N N 60 119.079 119.186 -0.107 2
1 732 . 1 1 A 60 60 PHE H H 60 9.153 8.688 0.465 2
1 733 . 1 1 A 60 60 PHE CA C 60 58.544 56.747 1.797 2
1 734 . 1 1 A 60 60 PHE HA H 60 5.666 5.700 -0.034 2
1 735 . 1 1 A 60 60 PHE CB C 60 42.484 42.211 0.273 2
1 748 . 1 1 A 60 60 PHE C C 60 175.461 175.465 -0.004 2
1 749 . 1 1 A 61 61 VAL N N 61 110.995 116.754 -5.759 2
1 750 . 1 1 A 61 61 VAL H H 61 9.065 9.151 -0.086 2
1 751 . 1 1 A 61 61 VAL CA C 61 58.189 58.202 -0.013 2
1 752 . 1 1 A 61 61 VAL HA H 61 4.823 4.970 -0.147 2
1 753 . 1 1 A 61 61 VAL CB C 61 33.521 34.532 -1.012 2
1 764 . 1 1 A 62 62 PRO CA C 62 61.852 61.822 0.030 2
1 765 . 1 1 A 62 62 PRO HA H 62 3.556 3.660 -0.104 2
1 766 . 1 1 A 62 62 PRO CB C 62 29.777 30.713 -0.936 2
1 774 . 1 1 A 62 62 PRO C C 62 177.787 177.244 0.543 2
1 775 . 1 1 A 63 63 ALA N N 63 129.142 127.683 1.459 2
1 776 . 1 1 A 63 63 ALA H H 63 7.477 8.101 -0.624 2
1 777 . 1 1 A 63 63 ALA CA C 63 54.472 53.508 0.964 2
1 778 . 1 1 A 63 63 ALA HA H 63 2.652 3.029 -0.377 2
1 782 . 1 1 A 63 63 ALA CB C 63 15.666 17.119 -1.453 2
1 783 . 1 1 A 63 63 ALA C C 63 178.429 178.452 -0.023 2
1 784 . 1 1 A 64 64 ALA N N 64 113.522 119.143 -5.621 2
1 785 . 1 1 A 64 64 ALA H H 64 7.867 7.125 0.742 2
1 786 . 1 1 A 64 64 ALA CA C 64 52.768 54.094 -1.326 2
1 787 . 1 1 A 64 64 ALA HA H 64 4.006 3.904 0.102 2
1 791 . 1 1 A 64 64 ALA CB C 64 17.629 17.890 -0.261 2
1 792 . 1 1 A 64 64 ALA C C 64 178.097 178.149 -0.052 2
1 793 . 1 1 A 65 65 TYR N N 65 116.109 116.345 -0.236 2
1 794 . 1 1 A 65 65 TYR H H 65 7.698 7.609 0.089 2
1 795 . 1 1 A 65 65 TYR CA C 65 56.328 58.897 -2.569 2
1 796 . 1 1 A 65 65 TYR HA H 65 4.758 4.801 -0.043 2
1 797 . 1 1 A 65 65 TYR CB C 65 37.765 40.093 -2.328 2
1 808 . 1 1 A 65 65 TYR C C 65 174.375 175.728 -1.353 2
1 809 . 1 1 A 66 66 VAL N N 66 111.053 114.731 -3.679 2
1 810 . 1 1 A 66 66 VAL H H 66 7.415 7.150 0.265 2
1 811 . 1 1 A 66 66 VAL CA C 66 58.119 59.367 -1.248 2
1 812 . 1 1 A 66 66 VAL HA H 66 5.538 5.161 0.377 2
1 813 . 1 1 A 66 66 VAL CB C 66 35.809 34.723 1.086 2
1 823 . 1 1 A 66 66 VAL C C 66 173.511 174.229 -0.718 2
1 824 . 1 1 A 67 67 LYS N N 67 118.588 123.059 -4.471 2
1 825 . 1 1 A 67 67 LYS H H 67 8.631 8.966 -0.335 2
1 826 . 1 1 A 67 67 LYS CA C 67 54.035 54.647 -0.612 2
1 827 . 1 1 A 67 67 LYS HA H 67 4.830 5.414 -0.584 2
1 828 . 1 1 A 67 67 LYS CB C 67 36.779 36.357 0.422 2
1 838 . 1 1 A 67 67 LYS C C 67 175.992 175.430 0.562 2
1 839 . 1 1 A 68 68 LYS N N 68 125.838 123.749 2.089 2
1 840 . 1 1 A 68 68 LYS H H 68 9.227 8.589 0.638 2
1 841 . 1 1 A 68 68 LYS CA C 68 58.335 56.628 1.707 2
1 842 . 1 1 A 68 68 LYS HA H 68 4.494 4.282 0.212 2
1 843 . 1 1 A 68 68 LYS CB C 68 32.893 32.840 0.053 2
1 853 . 1 1 A 68 68 LYS C C 68 176.657 176.790 -0.133 2
1 854 . 1 1 A 69 69 LEU N N 69 125.443 123.561 1.882 2
1 855 . 1 1 A 69 69 LEU H H 69 8.449 8.676 -0.227 2
1 856 . 1 1 A 69 69 LEU CA C 69 54.873 54.108 0.765 2
1 857 . 1 1 A 69 69 LEU HA H 69 4.437 4.625 -0.188 2
1 858 . 1 1 A 69 69 LEU CB C 69 42.345 41.759 0.586 2
1 871 . 1 1 A 69 69 LEU C C 69 176.147 176.095 0.052 2
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