data_11043_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11043
_Entry.PDB_ID 2ROT
_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 2 123.392 122.991 0.401 1
1 11 . 1 1 1 A 2 2 ASP H H 2 8.830 8.680 0.150 1
1 12 . 1 1 1 A 2 2 ASP CA C 2 54.029 53.788 0.241 1
1 13 . 1 1 1 A 2 2 ASP HA H 2 4.699 4.778 -0.079 1
1 14 . 1 1 1 A 2 2 ASP CB C 2 40.198 40.632 -0.434 1
1 17 . 1 1 1 A 2 2 ASP C C 2 175.639 175.642 -0.003 1
1 18 . 1 1 1 A 3 3 GLU N N 3 121.824 117.547 4.277 1
1 19 . 1 1 1 A 3 3 GLU H H 3 8.663 8.141 0.522 1
1 20 . 1 1 1 A 3 3 GLU CA C 3 56.162 57.199 -1.037 1
1 21 . 1 1 1 A 3 3 GLU HA H 3 4.406 4.027 0.379 1
1 22 . 1 1 1 A 3 3 GLU CB C 3 28.702 27.323 1.379 1
1 28 . 1 1 1 A 3 3 GLU C C 3 176.354 177.086 -0.732 1
1 29 . 1 1 1 A 4 4 THR N N 4 114.607 114.271 0.336 1
1 30 . 1 1 1 A 4 4 THR H H 4 8.285 8.133 0.152 1
1 31 . 1 1 1 A 4 4 THR CA C 4 62.425 63.549 -1.124 1
1 32 . 1 1 1 A 4 4 THR HA H 4 4.267 4.187 0.080 1
1 33 . 1 1 1 A 4 4 THR CB C 4 69.672 70.074 -0.402 1
1 39 . 1 1 1 A 4 4 THR C C 4 175.271 175.555 -0.284 1
1 40 . 1 1 1 A 5 5 GLY N N 5 111.345 111.280 0.065 1
1 41 . 1 1 1 A 5 5 GLY H H 5 8.436 8.138 0.298 1
1 42 . 1 1 1 A 5 5 GLY CA C 5 45.297 46.848 -1.551 1
1 43 . 1 1 1 A 5 5 GLY HA2 H 5 3.942 3.880 0.062 1
1 44 . 1 1 1 A 5 5 GLY HA3 H 5 3.942 3.880 0.062 1
1 45 . 1 1 1 A 5 5 GLY C C 5 173.668 174.522 -0.854 1
1 46 . 1 1 1 A 6 6 LYS N N 6 119.783 117.328 2.455 1
1 47 . 1 1 1 A 6 6 LYS H H 6 8.017 8.196 -0.179 1
1 48 . 1 1 1 A 6 6 LYS CA C 6 55.538 57.294 -1.756 1
1 49 . 1 1 1 A 6 6 LYS HA H 6 4.387 4.411 -0.024 1
1 50 . 1 1 1 A 6 6 LYS CB C 6 33.257 34.310 -1.053 1
1 62 . 1 1 1 A 6 6 LYS C C 6 176.029 175.975 0.054 1
1 63 . 1 1 1 A 7 7 GLU N N 7 122.414 116.872 5.542 1
1 64 . 1 1 1 A 7 7 GLU H H 7 8.584 7.825 0.759 1
1 65 . 1 1 1 A 7 7 GLU CA C 7 55.404 55.145 0.259 1
1 66 . 1 1 1 A 7 7 GLU HA H 7 4.495 4.816 -0.321 1
1 67 . 1 1 1 A 7 7 GLU CB C 7 30.382 31.508 -1.126 1
1 73 . 1 1 1 A 7 7 GLU C C 7 174.014 174.683 -0.669 1
1 74 . 1 1 1 A 8 8 LEU N N 8 122.989 127.258 -4.269 1
1 75 . 1 1 1 A 8 8 LEU H H 8 8.414 8.922 -0.508 1
1 76 . 1 1 1 A 8 8 LEU CA C 8 53.188 53.566 -0.378 1
1 77 . 1 1 1 A 8 8 LEU HA H 8 5.381 5.246 0.135 1
1 78 . 1 1 1 A 8 8 LEU CB C 8 45.173 45.388 -0.215 1
1 90 . 1 1 1 A 8 8 LEU C C 8 177.329 175.317 2.012 1
1 91 . 1 1 1 A 9 9 VAL N N 9 111.709 118.857 -7.148 1
1 92 . 1 1 1 A 9 9 VAL H H 9 9.125 9.038 0.087 1
1 93 . 1 1 1 A 9 9 VAL CA C 9 57.854 59.277 -1.423 1
1 94 . 1 1 1 A 9 9 VAL HA H 9 5.232 5.046 0.186 1
1 95 . 1 1 1 A 9 9 VAL CB C 9 35.864 35.948 -0.084 1
1 105 . 1 1 1 A 9 9 VAL C C 9 172.368 173.721 -1.353 1
1 106 . 1 1 1 A 10 10 LEU N N 10 123.520 127.152 -3.632 1
1 107 . 1 1 1 A 10 10 LEU H H 10 8.989 9.027 -0.038 1
1 108 . 1 1 1 A 10 10 LEU CA C 10 52.445 53.470 -1.025 1
1 109 . 1 1 1 A 10 10 LEU HA H 10 5.113 5.326 -0.213 1
1 110 . 1 1 1 A 10 10 LEU CB C 10 46.776 44.822 1.954 1
1 123 . 1 1 1 A 10 10 LEU C C 10 176.549 175.745 0.804 1
1 124 . 1 1 1 A 11 11 ALA N N 11 127.272 128.117 -0.845 1
1 125 . 1 1 1 A 11 11 ALA H H 11 9.163 8.878 0.285 1
1 126 . 1 1 1 A 11 11 ALA CA C 11 52.416 52.186 0.230 1
1 127 . 1 1 1 A 11 11 ALA HA H 11 4.602 4.502 0.100 1
1 131 . 1 1 1 A 11 11 ALA CB C 11 19.274 19.112 0.162 1
1 132 . 1 1 1 A 11 11 ALA C C 11 178.282 176.816 1.466 1
1 133 . 1 1 1 A 12 12 LEU N N 12 127.769 124.669 3.100 1
1 134 . 1 1 1 A 12 12 LEU H H 12 9.257 9.407 -0.150 1
1 135 . 1 1 1 A 12 12 LEU CA C 12 55.442 55.962 -0.520 1
1 136 . 1 1 1 A 12 12 LEU HA H 12 3.898 4.281 -0.383 1
1 137 . 1 1 1 A 12 12 LEU CB C 12 43.110 42.601 0.509 1
1 150 . 1 1 1 A 12 12 LEU C C 12 174.946 176.435 -1.489 1
1 151 . 1 1 1 A 13 13 TYR N N 13 111.673 115.539 -3.866 1
1 152 . 1 1 1 A 13 13 TYR H H 13 7.129 8.040 -0.911 1
1 153 . 1 1 1 A 13 13 TYR CA C 13 54.720 56.735 -2.015 1
1 154 . 1 1 1 A 13 13 TYR HA H 13 4.633 5.005 -0.372 1
1 155 . 1 1 1 A 13 13 TYR CB C 13 43.043 41.593 1.450 1
1 166 . 1 1 1 A 13 13 TYR C C 13 173.668 175.136 -1.468 1
1 167 . 1 1 1 A 14 14 ASP N N 14 117.814 120.992 -3.178 1
1 168 . 1 1 1 A 14 14 ASP H H 14 8.347 8.822 -0.475 1
1 169 . 1 1 1 A 14 14 ASP CA C 14 54.571 53.537 1.034 1
1 170 . 1 1 1 A 14 14 ASP HA H 14 4.633 5.177 -0.544 1
1 171 . 1 1 1 A 14 14 ASP CB C 14 41.136 42.182 -1.046 1
1 174 . 1 1 1 A 14 14 ASP C C 14 176.051 175.185 0.866 1
1 175 . 1 1 1 A 15 15 TYR N N 15 120.213 122.669 -2.456 1
1 176 . 1 1 1 A 15 15 TYR H H 15 8.748 9.009 -0.261 1
1 177 . 1 1 1 A 15 15 TYR CA C 15 59.454 57.697 1.757 1
1 178 . 1 1 1 A 15 15 TYR HA H 15 4.654 5.225 -0.571 1
1 179 . 1 1 1 A 15 15 TYR CB C 15 43.400 42.551 0.849 1
1 190 . 1 1 1 A 15 15 TYR C C 15 172.758 173.772 -1.014 1
1 191 . 1 1 1 A 16 16 GLN N N 16 126.986 122.977 4.009 1
1 192 . 1 1 1 A 16 16 GLN H H 16 7.558 7.798 -0.240 1
1 193 . 1 1 1 A 16 16 GLN CA C 16 53.534 53.356 0.178 1
1 194 . 1 1 1 A 16 16 GLN HA H 16 4.500 4.920 -0.420 1
1 195 . 1 1 1 A 16 16 GLN CB C 16 29.071 32.473 -3.402 1
1 204 . 1 1 1 A 16 16 GLN C C 16 173.863 173.978 -0.115 1
1 205 . 1 1 1 A 17 17 GLU N N 17 123.063 120.495 2.568 1
1 206 . 1 1 1 A 17 17 GLU H H 17 7.979 8.174 -0.195 1
1 207 . 1 1 1 A 17 17 GLU CA C 17 55.935 55.638 0.297 1
1 208 . 1 1 1 A 17 17 GLU HA H 17 4.182 4.706 -0.524 1
1 209 . 1 1 1 A 17 17 GLU CB C 17 28.948 30.535 -1.587 1
1 215 . 1 1 1 A 17 17 GLU C C 17 175.899 176.241 -0.342 1
1 216 . 1 1 1 A 18 18 LYS N N 18 120.853 124.042 -3.189 1
1 217 . 1 1 1 A 18 18 LYS H H 18 8.771 8.924 -0.153 1
1 218 . 1 1 1 A 18 18 LYS CA C 18 55.393 57.554 -2.161 1
1 219 . 1 1 1 A 18 18 LYS HA H 18 4.390 4.296 0.094 1
1 220 . 1 1 1 A 18 18 LYS CB C 18 33.393 33.707 -0.314 1
1 232 . 1 1 1 A 18 18 LYS C C 18 176.138 175.967 0.171 1
1 233 . 1 1 1 A 19 19 SER N N 19 115.089 112.472 2.617 1
1 234 . 1 1 1 A 19 19 SER H H 19 7.658 8.046 -0.388 1
1 235 . 1 1 1 A 19 19 SER CA C 19 56.821 55.752 1.069 1
1 236 . 1 1 1 A 19 19 SER HA H 19 4.863 4.855 0.008 1
1 237 . 1 1 1 A 19 19 SER CB C 19 64.208 64.847 -0.639 1
1 241 . 1 1 1 A 20 20 PRO CA C 20 64.803 64.315 0.488 1
1 242 . 1 1 1 A 20 20 PRO HA H 20 4.521 4.508 0.013 1
1 243 . 1 1 1 A 20 20 PRO CB C 20 31.657 31.726 -0.069 1
1 251 . 1 1 1 A 20 20 PRO C C 20 176.657 177.841 -1.184 1
1 252 . 1 1 1 A 21 21 ARG N N 21 113.827 117.522 -3.695 1
1 253 . 1 1 1 A 21 21 ARG H H 21 7.694 8.261 -0.567 1
1 254 . 1 1 1 A 21 21 ARG CA C 21 56.119 58.642 -2.523 1
1 255 . 1 1 1 A 21 21 ARG HA H 21 4.593 4.228 0.365 1
1 256 . 1 1 1 A 21 21 ARG CB C 21 30.299 30.270 0.029 1
1 265 . 1 1 1 A 21 21 ARG C C 21 173.386 176.874 -3.488 1
1 266 . 1 1 1 A 22 22 GLU N N 22 121.389 118.407 2.982 1
1 267 . 1 1 1 A 22 22 GLU H H 22 7.850 8.052 -0.202 1
1 268 . 1 1 1 A 22 22 GLU CA C 22 54.951 55.988 -1.037 1
1 269 . 1 1 1 A 22 22 GLU HA H 22 5.487 4.694 0.793 1
1 270 . 1 1 1 A 22 22 GLU CB C 22 33.588 31.279 2.309 1
1 276 . 1 1 1 A 22 22 GLU C C 22 174.491 175.893 -1.402 1
1 277 . 1 1 1 A 23 23 VAL N N 23 113.069 118.405 -5.336 1
1 278 . 1 1 1 A 23 23 VAL H H 23 7.410 8.812 -1.402 1
1 279 . 1 1 1 A 23 23 VAL CA C 23 59.793 59.457 0.336 1
1 280 . 1 1 1 A 23 23 VAL HA H 23 4.531 4.849 -0.318 1
1 281 . 1 1 1 A 23 23 VAL CB C 23 34.667 35.506 -0.839 1
1 291 . 1 1 1 A 23 23 VAL C C 23 172.541 174.296 -1.755 1
1 292 . 1 1 1 A 24 24 THR N N 24 118.283 119.571 -1.288 1
1 293 . 1 1 1 A 24 24 THR H H 24 7.362 8.765 -1.403 1
1 294 . 1 1 1 A 24 24 THR CA C 24 61.708 62.490 -0.782 1
1 295 . 1 1 1 A 24 24 THR HA H 24 5.085 4.788 0.297 1
1 296 . 1 1 1 A 24 24 THR CB C 24 70.934 69.546 1.388 1
1 302 . 1 1 1 A 24 24 THR C C 24 174.274 174.484 -0.210 1
1 303 . 1 1 1 A 25 25 MET N N 25 121.971 123.977 -2.006 1
1 304 . 1 1 1 A 25 25 MET H H 25 9.523 9.316 0.207 1
1 305 . 1 1 1 A 25 25 MET CA C 25 54.328 53.084 1.244 1
1 306 . 1 1 1 A 25 25 MET HA H 25 4.929 5.558 -0.629 1
1 307 . 1 1 1 A 25 25 MET CB C 25 36.287 36.461 -0.174 1
1 317 . 1 1 1 A 25 25 MET C C 25 173.841 174.967 -1.126 1
1 318 . 1 1 1 A 26 26 LYS N N 26 124.399 118.192 6.207 1
1 319 . 1 1 1 A 26 26 LYS H H 26 8.820 8.925 -0.105 1
1 320 . 1 1 1 A 26 26 LYS CA C 26 53.699 54.499 -0.800 1
1 321 . 1 1 1 A 26 26 LYS HA H 26 4.879 5.069 -0.190 1
1 322 . 1 1 1 A 26 26 LYS CB C 26 34.097 36.340 -2.243 1
1 332 . 1 1 1 A 26 26 LYS C C 26 174.968 175.326 -0.358 1
1 333 . 1 1 1 A 27 27 LYS N N 27 122.619 119.229 3.390 1
1 334 . 1 1 1 A 27 27 LYS H H 27 9.013 8.496 0.517 1
1 335 . 1 1 1 A 27 27 LYS CA C 27 58.078 57.114 0.964 1
1 336 . 1 1 1 A 27 27 LYS HA H 27 4.837 4.092 0.745 1
1 337 . 1 1 1 A 27 27 LYS CB C 27 32.269 31.961 0.308 1
1 349 . 1 1 1 A 27 27 LYS C C 27 177.307 176.987 0.320 1
1 350 . 1 1 1 A 28 28 GLY N N 28 115.785 113.448 2.337 1
1 351 . 1 1 1 A 28 28 GLY H H 28 8.902 9.172 -0.270 1
1 352 . 1 1 1 A 28 28 GLY CA C 28 44.564 44.879 -0.315 1
1 353 . 1 1 1 A 28 28 GLY HA2 H 28 3.538 3.979 -0.441 1
1 354 . 1 1 1 A 28 28 GLY HA3 H 28 4.481 3.982 0.499 1
1 355 . 1 1 1 A 28 28 GLY C C 28 174.014 173.968 0.046 1
1 356 . 1 1 1 A 29 29 ASP N N 29 122.243 121.424 0.819 1
1 357 . 1 1 1 A 29 29 ASP H H 29 8.511 8.306 0.205 1
1 358 . 1 1 1 A 29 29 ASP CA C 29 55.353 53.809 1.544 1
1 359 . 1 1 1 A 29 29 ASP HA H 29 4.523 4.821 -0.298 1
1 360 . 1 1 1 A 29 29 ASP CB C 29 41.146 42.352 -1.206 1
1 363 . 1 1 1 A 29 29 ASP C C 29 174.274 175.699 -1.425 1
1 364 . 1 1 1 A 30 30 ILE N N 30 120.587 124.380 -3.793 1
1 365 . 1 1 1 A 30 30 ILE H H 30 8.227 8.456 -0.229 1
1 366 . 1 1 1 A 30 30 ILE CA C 30 60.366 59.741 0.625 1
1 367 . 1 1 1 A 30 30 ILE HA H 30 5.036 5.022 0.014 1
1 368 . 1 1 1 A 30 30 ILE CB C 30 38.210 40.325 -2.115 1
1 381 . 1 1 1 A 30 30 ILE C C 30 176.246 174.951 1.295 1
1 382 . 1 1 1 A 31 31 LEU N N 31 128.265 127.067 1.198 1
1 383 . 1 1 1 A 31 31 LEU H H 31 9.353 9.017 0.336 1
1 384 . 1 1 1 A 31 31 LEU CA C 31 53.414 53.697 -0.283 1
1 385 . 1 1 1 A 31 31 LEU HA H 31 5.010 5.078 -0.068 1
1 386 . 1 1 1 A 31 31 LEU CB C 31 43.893 45.781 -1.888 1
1 397 . 1 1 1 A 31 31 LEU C C 31 175.596 175.635 -0.039 1
1 398 . 1 1 1 A 32 32 THR N N 32 117.027 118.613 -1.586 1
1 399 . 1 1 1 A 32 32 THR H H 32 8.146 8.752 -0.606 1
1 400 . 1 1 1 A 32 32 THR CA C 32 63.046 62.343 0.703 1
1 401 . 1 1 1 A 32 32 THR HA H 32 4.629 4.770 -0.141 1
1 402 . 1 1 1 A 32 32 THR CB C 32 69.576 69.071 0.505 1
1 408 . 1 1 1 A 32 32 THR C C 32 173.559 174.468 -0.909 1
1 409 . 1 1 1 A 33 33 LEU N N 33 129.212 128.969 0.243 1
1 410 . 1 1 1 A 33 33 LEU H H 33 9.070 8.541 0.529 1
1 411 . 1 1 1 A 33 33 LEU CA C 33 54.894 55.794 -0.900 1
1 412 . 1 1 1 A 33 33 LEU HA H 33 4.351 4.363 -0.012 1
1 413 . 1 1 1 A 33 33 LEU CB C 33 43.191 42.100 1.091 1
1 426 . 1 1 1 A 33 33 LEU C C 33 174.513 176.523 -2.010 1
1 427 . 1 1 1 A 34 34 LEU N N 34 125.818 129.361 -3.543 1
1 428 . 1 1 1 A 34 34 LEU H H 34 9.060 9.005 0.055 1
1 429 . 1 1 1 A 34 34 LEU CA C 34 54.885 55.702 -0.817 1
1 430 . 1 1 1 A 34 34 LEU HA H 34 4.523 4.430 0.093 1
1 431 . 1 1 1 A 34 34 LEU CB C 34 42.990 43.175 -0.185 1
1 443 . 1 1 1 A 34 34 LEU C C 34 177.502 175.977 1.525 1
1 444 . 1 1 1 A 35 35 ASN N N 35 114.008 117.521 -3.513 1
1 445 . 1 1 1 A 35 35 ASN H H 35 7.617 8.274 -0.657 1
1 446 . 1 1 1 A 35 35 ASN CA C 35 54.502 52.531 1.971 1
1 447 . 1 1 1 A 35 35 ASN HA H 35 4.736 4.989 -0.253 1
1 448 . 1 1 1 A 35 35 ASN CB C 35 40.933 41.246 -0.313 1
1 454 . 1 1 1 A 35 35 ASN C C 35 174.318 174.277 0.041 1
1 455 . 1 1 1 A 36 36 SER N N 36 123.608 117.597 6.011 1
1 456 . 1 1 1 A 36 36 SER H H 36 9.172 8.332 0.840 1
1 457 . 1 1 1 A 36 36 SER CA C 36 56.915 56.951 -0.036 1
1 458 . 1 1 1 A 36 36 SER HA H 36 3.940 4.415 -0.475 1
1 459 . 1 1 1 A 36 36 SER CB C 36 62.042 62.366 -0.324 1
1 462 . 1 1 1 A 36 36 SER C C 36 173.364 175.330 -1.966 1
1 463 . 1 1 1 A 37 37 THR N N 37 115.130 115.761 -0.631 1
1 464 . 1 1 1 A 37 37 THR H H 37 8.184 7.681 0.503 1
1 465 . 1 1 1 A 37 37 THR CA C 37 65.381 65.493 -0.112 1
1 466 . 1 1 1 A 37 37 THR HA H 37 3.980 4.000 -0.020 1
1 467 . 1 1 1 A 37 37 THR CB C 37 69.489 69.235 0.254 1
1 473 . 1 1 1 A 37 37 THR C C 37 175.249 174.725 0.524 1
1 474 . 1 1 1 A 38 38 ASN N N 38 122.469 118.923 3.546 1
1 475 . 1 1 1 A 38 38 ASN H H 38 8.681 7.941 0.740 1
1 476 . 1 1 1 A 38 38 ASN CA C 38 53.337 52.402 0.935 1
1 477 . 1 1 1 A 38 38 ASN HA H 38 4.867 4.985 -0.118 1
1 478 . 1 1 1 A 38 38 ASN CB C 38 40.376 40.603 -0.227 1
1 484 . 1 1 1 A 38 38 ASN C C 38 174.599 175.159 -0.560 1
1 485 . 1 1 1 A 39 39 LYS N N 39 120.915 122.067 -1.152 1
1 486 . 1 1 1 A 39 39 LYS H H 39 8.516 8.952 -0.436 1
1 487 . 1 1 1 A 39 39 LYS CA C 39 58.333 56.432 1.901 1
1 488 . 1 1 1 A 39 39 LYS HA H 39 4.247 4.775 -0.528 1
1 489 . 1 1 1 A 39 39 LYS CB C 39 32.371 33.805 -1.434 1
1 499 . 1 1 1 A 39 39 LYS C C 39 176.268 177.016 -0.748 1
1 500 . 1 1 1 A 40 40 ASP N N 40 114.512 117.447 -2.935 1
1 501 . 1 1 1 A 40 40 ASP H H 40 8.210 7.849 0.361 1
1 502 . 1 1 1 A 40 40 ASP CA C 40 55.083 55.617 -0.534 1
1 503 . 1 1 1 A 40 40 ASP HA H 40 4.544 4.388 0.156 1
1 504 . 1 1 1 A 40 40 ASP CB C 40 43.014 42.257 0.757 1
1 507 . 1 1 1 A 40 40 ASP C C 40 176.852 175.581 1.271 1
1 508 . 1 1 1 A 41 41 TRP N N 41 122.703 116.347 6.356 1
1 509 . 1 1 1 A 41 41 TRP H H 41 8.212 8.009 0.203 1
1 510 . 1 1 1 A 41 41 TRP CA C 41 56.005 55.992 0.013 1
1 511 . 1 1 1 A 41 41 TRP HA H 41 5.078 5.289 -0.211 1
1 512 . 1 1 1 A 41 41 TRP CB C 41 32.019 30.145 1.874 1
1 527 . 1 1 1 A 41 41 TRP C C 41 174.166 175.605 -1.439 1
1 528 . 1 1 1 A 42 42 TRP N N 42 124.905 124.821 0.084 1
1 529 . 1 1 1 A 42 42 TRP H H 42 9.380 9.468 -0.088 1
1 530 . 1 1 1 A 42 42 TRP CA C 42 53.861 55.845 -1.984 1
1 531 . 1 1 1 A 42 42 TRP HA H 42 5.523 5.182 0.341 1
1 532 . 1 1 1 A 42 42 TRP CB C 42 31.543 30.986 0.557 1
1 547 . 1 1 1 A 42 42 TRP C C 42 174.144 175.861 -1.717 1
1 548 . 1 1 1 A 43 43 LYS N N 43 124.120 123.515 0.605 1
1 549 . 1 1 1 A 43 43 LYS H H 43 8.896 9.239 -0.343 1
1 550 . 1 1 1 A 43 43 LYS CA C 43 55.231 55.704 -0.473 1
1 551 . 1 1 1 A 43 43 LYS HA H 43 4.396 4.674 -0.278 1
1 552 . 1 1 1 A 43 43 LYS CB C 43 34.366 32.772 1.594 1
1 564 . 1 1 1 A 43 43 LYS C C 43 175.423 176.075 -0.652 1
1 565 . 1 1 1 A 44 44 VAL N N 44 121.984 117.855 4.129 1
1 566 . 1 1 1 A 44 44 VAL H H 44 9.430 8.961 0.469 1
1 567 . 1 1 1 A 44 44 VAL CA C 44 58.751 58.769 -0.018 1
1 568 . 1 1 1 A 44 44 VAL HA H 44 5.375 5.239 0.136 1
1 569 . 1 1 1 A 44 44 VAL CB C 44 36.378 35.384 0.994 1
1 579 . 1 1 1 A 44 44 VAL C C 44 173.234 173.500 -0.266 1
1 580 . 1 1 1 A 45 45 GLU N N 45 118.425 122.397 -3.972 1
1 581 . 1 1 1 A 45 45 GLU H H 45 8.757 9.327 -0.570 1
1 582 . 1 1 1 A 45 45 GLU CA C 45 54.139 54.902 -0.763 1
1 583 . 1 1 1 A 45 45 GLU HA H 45 5.423 5.395 0.028 1
1 584 . 1 1 1 A 45 45 GLU CB C 45 32.891 33.105 -0.214 1
1 590 . 1 1 1 A 45 45 GLU C C 45 174.621 175.443 -0.822 1
1 591 . 1 1 1 A 46 46 VAL N N 46 123.694 120.008 3.686 1
1 592 . 1 1 1 A 46 46 VAL H H 46 9.089 8.986 0.103 1
1 593 . 1 1 1 A 46 46 VAL CA C 46 59.627 58.871 0.756 1
1 594 . 1 1 1 A 46 46 VAL HA H 46 4.669 5.065 -0.396 1
1 595 . 1 1 1 A 46 46 VAL CB C 46 35.290 35.852 -0.562 1
1 604 . 1 1 1 A 46 46 VAL C C 46 173.234 173.433 -0.199 1
1 605 . 1 1 1 A 47 47 LYS N N 47 124.893 121.894 2.999 1
1 606 . 1 1 1 A 47 47 LYS H H 47 8.455 8.749 -0.294 1
1 607 . 1 1 1 A 47 47 LYS CA C 47 55.404 54.658 0.746 1
1 608 . 1 1 1 A 47 47 LYS HA H 47 5.022 5.293 -0.271 1
1 609 . 1 1 1 A 47 47 LYS CB C 47 33.959 35.256 -1.297 1
1 619 . 1 1 1 A 47 47 LYS C C 47 175.899 175.054 0.845 1
1 620 . 1 1 1 A 48 48 ILE N N 48 124.447 127.365 -2.918 1
1 621 . 1 1 1 A 48 48 ILE H H 48 8.989 9.090 -0.101 1
1 622 . 1 1 1 A 48 48 ILE CA C 48 59.646 59.943 -0.297 1
1 623 . 1 1 1 A 48 48 ILE HA H 48 4.529 4.854 -0.325 1
1 624 . 1 1 1 A 48 48 ILE CB C 48 41.170 39.920 1.250 1
1 637 . 1 1 1 A 48 48 ILE C C 48 174.144 174.589 -0.445 1
1 638 . 1 1 1 A 49 49 THR N N 49 121.012 122.884 -1.872 1
1 639 . 1 1 1 A 49 49 THR H H 49 8.570 8.900 -0.330 1
1 640 . 1 1 1 A 49 49 THR CA C 49 61.301 62.254 -0.953 1
1 641 . 1 1 1 A 49 49 THR HA H 49 5.272 4.868 0.404 1
1 642 . 1 1 1 A 49 49 THR CB C 49 69.853 69.005 0.848 1
1 648 . 1 1 1 A 49 49 THR C C 49 174.318 174.056 0.262 1
1 649 . 1 1 1 A 50 50 VAL N N 50 126.754 126.738 0.016 1
1 650 . 1 1 1 A 50 50 VAL H H 50 9.104 9.170 -0.066 1
1 651 . 1 1 1 A 50 50 VAL CA C 50 61.070 61.409 -0.339 1
1 652 . 1 1 1 A 50 50 VAL HA H 50 4.292 4.555 -0.263 1
1 653 . 1 1 1 A 50 50 VAL CB C 50 34.452 34.143 0.309 1
1 663 . 1 1 1 A 50 50 VAL C C 50 175.899 176.196 -0.297 1
1 664 . 1 1 1 A 51 51 ASN N N 51 127.590 127.639 -0.049 1
1 665 . 1 1 1 A 51 51 ASN H H 51 9.619 9.525 0.094 1
1 666 . 1 1 1 A 51 51 ASN CA C 51 54.177 54.663 -0.486 1
1 667 . 1 1 1 A 51 51 ASN HA H 51 4.390 4.495 -0.105 1
1 668 . 1 1 1 A 51 51 ASN CB C 51 37.413 37.479 -0.066 1
1 671 . 1 1 1 A 51 51 ASN C C 51 175.249 175.669 -0.420 1
1 672 . 1 1 1 A 52 52 GLY N N 52 102.845 103.498 -0.653 1
1 673 . 1 1 1 A 52 52 GLY H H 52 8.535 8.651 -0.116 1
1 674 . 1 1 1 A 52 52 GLY CA C 52 45.443 45.871 -0.428 1
1 675 . 1 1 1 A 52 52 GLY HA2 H 52 3.555 3.863 -0.308 1
1 676 . 1 1 1 A 52 52 GLY HA3 H 52 4.120 3.866 0.254 1
1 677 . 1 1 1 A 52 52 GLY C C 52 176.398 173.883 2.515 1
1 678 . 1 1 1 A 53 53 LYS N N 53 121.989 120.542 1.447 1
1 679 . 1 1 1 A 53 53 LYS H H 53 7.849 8.030 -0.181 1
1 680 . 1 1 1 A 53 53 LYS CA C 53 54.807 54.844 -0.037 1
1 681 . 1 1 1 A 53 53 LYS HA H 53 4.641 4.443 0.198 1
1 682 . 1 1 1 A 53 53 LYS CB C 53 34.440 34.314 0.126 1
1 694 . 1 1 1 A 53 53 LYS C C 53 174.513 175.748 -1.235 1
1 695 . 1 1 1 A 54 54 THR N N 54 118.860 117.420 1.440 1
1 696 . 1 1 1 A 54 54 THR H H 54 8.445 8.600 -0.155 1
1 697 . 1 1 1 A 54 54 THR CA C 54 62.074 61.701 0.373 1
1 698 . 1 1 1 A 54 54 THR HA H 54 5.167 4.414 0.753 1
1 699 . 1 1 1 A 54 54 THR CB C 54 70.071 69.569 0.502 1
1 705 . 1 1 1 A 54 54 THR C C 54 173.689 173.836 -0.147 1
1 706 . 1 1 1 A 55 55 TYR N N 55 125.966 123.374 2.592 1
1 707 . 1 1 1 A 55 55 TYR H H 55 9.319 9.603 -0.284 1
1 708 . 1 1 1 A 55 55 TYR CA C 55 56.507 56.194 0.313 1
1 709 . 1 1 1 A 55 55 TYR HA H 55 4.767 5.179 -0.412 1
1 710 . 1 1 1 A 55 55 TYR CB C 55 40.591 41.966 -1.375 1
1 721 . 1 1 1 A 55 55 TYR C C 55 173.538 175.265 -1.727 1
1 722 . 1 1 1 A 56 56 GLU N N 56 119.827 121.198 -1.371 1
1 723 . 1 1 1 A 56 56 GLU H H 56 8.568 8.782 -0.214 1
1 724 . 1 1 1 A 56 56 GLU CA C 56 54.503 55.117 -0.614 1
1 725 . 1 1 1 A 56 56 GLU HA H 56 5.247 5.381 -0.134 1
1 726 . 1 1 1 A 56 56 GLU CB C 56 30.297 33.297 -3.000 1
1 732 . 1 1 1 A 56 56 GLU C C 56 175.726 175.325 0.401 1
1 733 . 1 1 1 A 57 57 ARG N N 57 123.399 119.883 3.516 1
1 734 . 1 1 1 A 57 57 ARG H H 57 8.971 8.381 0.590 1
1 735 . 1 1 1 A 57 57 ARG CA C 57 54.944 54.977 -0.033 1
1 736 . 1 1 1 A 57 57 ARG HA H 57 4.710 5.083 -0.373 1
1 737 . 1 1 1 A 57 57 ARG CB C 57 33.362 34.143 -0.781 1
1 746 . 1 1 1 A 57 57 ARG C C 57 174.166 173.995 0.171 1
1 747 . 1 1 1 A 58 58 GLN N N 58 120.188 119.829 0.359 1
1 748 . 1 1 1 A 58 58 GLN H H 58 8.634 8.649 -0.015 1
1 749 . 1 1 1 A 58 58 GLN CA C 58 53.251 54.681 -1.430 1
1 750 . 1 1 1 A 58 58 GLN HA H 58 5.602 5.359 0.243 1
1 751 . 1 1 1 A 58 58 GLN CB C 58 31.229 31.359 -0.130 1
1 760 . 1 1 1 A 58 58 GLN C C 58 175.726 174.565 1.161 1
1 761 . 1 1 1 A 59 59 GLY N N 59 107.196 109.022 -1.826 1
1 762 . 1 1 1 A 59 59 GLY H H 59 8.644 9.059 -0.415 1
1 763 . 1 1 1 A 59 59 GLY CA C 59 45.583 44.371 1.212 1
1 764 . 1 1 1 A 59 59 GLY HA2 H 59 3.947 4.330 -0.383 1
1 765 . 1 1 1 A 59 59 GLY HA3 H 59 3.947 4.439 -0.492 1
1 766 . 1 1 1 A 59 59 GLY C C 59 170.223 171.947 -1.724 1
1 767 . 1 1 1 A 60 60 PHE N N 60 119.079 119.341 -0.262 1
1 768 . 1 1 1 A 60 60 PHE H H 60 9.178 8.899 0.279 1
1 769 . 1 1 1 A 60 60 PHE CA C 60 58.544 58.191 0.353 1
1 770 . 1 1 1 A 60 60 PHE HA H 60 5.668 5.205 0.463 1
1 771 . 1 1 1 A 60 60 PHE CB C 60 42.484 40.786 1.698 1
1 784 . 1 1 1 A 60 60 PHE C C 60 175.423 175.822 -0.399 1
1 785 . 1 1 1 A 61 61 VAL N N 61 111.060 116.480 -5.420 1
1 786 . 1 1 1 A 61 61 VAL H H 61 9.089 9.012 0.077 1
1 787 . 1 1 1 A 61 61 VAL CA C 61 58.189 58.517 -0.328 1
1 788 . 1 1 1 A 61 61 VAL HA H 61 4.833 4.902 -0.069 1
1 789 . 1 1 1 A 61 61 VAL CB C 61 33.744 35.165 -1.421 1
1 800 . 1 1 1 A 62 62 PRO CA C 62 61.852 62.109 -0.257 1
1 801 . 1 1 1 A 62 62 PRO HA H 62 3.572 4.302 -0.730 1
1 802 . 1 1 1 A 62 62 PRO CB C 62 29.704 30.843 -1.139 1
1 810 . 1 1 1 A 62 62 PRO C C 62 177.719 177.324 0.395 1
1 811 . 1 1 1 A 63 63 ALA N N 63 129.142 128.181 0.961 1
1 812 . 1 1 1 A 63 63 ALA H H 63 7.477 8.360 -0.883 1
1 813 . 1 1 1 A 63 63 ALA CA C 63 54.472 54.451 0.021 1
1 814 . 1 1 1 A 63 63 ALA HA H 63 2.655 3.618 -0.963 1
1 818 . 1 1 1 A 63 63 ALA CB C 63 15.740 16.869 -1.129 1
1 819 . 1 1 1 A 63 63 ALA C C 63 178.434 179.596 -1.162 1
1 820 . 1 1 1 A 64 64 ALA N N 64 113.410 119.366 -5.956 1
1 821 . 1 1 1 A 64 64 ALA H H 64 7.857 8.088 -0.231 1
1 822 . 1 1 1 A 64 64 ALA CA C 64 52.991 54.206 -1.215 1
1 823 . 1 1 1 A 64 64 ALA HA H 64 4.006 4.024 -0.018 1
1 827 . 1 1 1 A 64 64 ALA CB C 64 17.605 18.264 -0.659 1
1 828 . 1 1 1 A 64 64 ALA C C 64 178.109 178.144 -0.035 1
1 829 . 1 1 1 A 65 65 TYR N N 65 116.059 116.582 -0.523 1
1 830 . 1 1 1 A 65 65 TYR H H 65 7.705 7.910 -0.205 1
1 831 . 1 1 1 A 65 65 TYR CA C 65 56.477 58.385 -1.908 1
1 832 . 1 1 1 A 65 65 TYR HA H 65 4.758 4.699 0.059 1
1 833 . 1 1 1 A 65 65 TYR CB C 65 37.765 39.055 -1.290 1
1 844 . 1 1 1 A 65 65 TYR C C 65 174.361 175.658 -1.297 1
1 845 . 1 1 1 A 66 66 VAL N N 66 111.003 115.038 -4.035 1
1 846 . 1 1 1 A 66 66 VAL H H 66 7.422 7.536 -0.114 1
1 847 . 1 1 1 A 66 66 VAL CA C 66 58.268 59.036 -0.768 1
1 848 . 1 1 1 A 66 66 VAL HA H 66 5.547 4.990 0.557 1
1 849 . 1 1 1 A 66 66 VAL CB C 66 35.809 36.636 -0.827 1
1 859 . 1 1 1 A 66 66 VAL C C 66 173.538 174.587 -1.049 1
1 860 . 1 1 1 A 67 67 LYS N N 67 118.514 120.597 -2.083 1
1 861 . 1 1 1 A 67 67 LYS H H 67 8.636 8.654 -0.018 1
1 862 . 1 1 1 A 67 67 LYS CA C 67 53.828 54.476 -0.648 1
1 863 . 1 1 1 A 67 67 LYS HA H 67 4.840 4.948 -0.108 1
1 864 . 1 1 1 A 67 67 LYS CB C 67 36.636 36.748 -0.112 1
1 876 . 1 1 1 A 67 67 LYS C C 67 176.029 174.607 1.422 1
1 877 . 1 1 1 A 68 68 LYS N N 68 125.817 122.572 3.245 1
1 878 . 1 1 1 A 68 68 LYS H H 68 9.246 8.792 0.454 1
1 879 . 1 1 1 A 68 68 LYS CA C 68 58.514 56.460 2.054 1
1 880 . 1 1 1 A 68 68 LYS HA H 68 4.494 4.512 -0.018 1
1 881 . 1 1 1 A 68 68 LYS CB C 68 32.893 34.190 -1.297 1
1 891 . 1 1 1 A 68 68 LYS C C 68 176.679 177.255 -0.576 1
1 892 . 1 1 1 A 69 69 LEU N N 69 125.294 128.365 -3.071 1
1 893 . 1 1 1 A 69 69 LEU H H 69 8.506 8.737 -0.231 1
1 894 . 1 1 1 A 69 69 LEU CA C 69 54.873 58.148 -3.275 1
1 895 . 1 1 1 A 69 69 LEU HA H 69 4.429 4.168 0.261 1
1 896 . 1 1 1 A 69 69 LEU CB C 69 42.631 41.491 1.140 1
1 909 . 1 1 1 A 69 69 LEU C C 69 176.203 176.835 -0.632 1
1 10 . 2 1 1 A 2 2 ASP N N 2 123.392 117.552 5.840 1
1 11 . 2 1 1 A 2 2 ASP H H 2 8.830 8.021 0.809 1
1 12 . 2 1 1 A 2 2 ASP CA C 2 54.029 55.509 -1.480 1
1 13 . 2 1 1 A 2 2 ASP HA H 2 4.699 4.345 0.354 1
1 14 . 2 1 1 A 2 2 ASP CB C 2 40.198 39.070 1.128 1
1 17 . 2 1 1 A 2 2 ASP C C 2 175.639 175.581 0.058 1
1 18 . 2 1 1 A 3 3 GLU N N 3 121.824 117.723 4.101 1
1 19 . 2 1 1 A 3 3 GLU H H 3 8.663 8.034 0.629 1
1 20 . 2 1 1 A 3 3 GLU CA C 3 56.162 57.522 -1.360 1
1 21 . 2 1 1 A 3 3 GLU HA H 3 4.406 4.521 -0.115 1
1 22 . 2 1 1 A 3 3 GLU CB C 3 28.702 31.406 -2.704 1
1 28 . 2 1 1 A 3 3 GLU C C 3 176.354 177.252 -0.898 1
1 29 . 2 1 1 A 4 4 THR N N 4 114.607 106.263 8.344 1
1 30 . 2 1 1 A 4 4 THR H H 4 8.285 7.694 0.591 1
1 31 . 2 1 1 A 4 4 THR CA C 4 62.425 60.863 1.562 1
1 32 . 2 1 1 A 4 4 THR HA H 4 4.267 4.600 -0.333 1
1 33 . 2 1 1 A 4 4 THR CB C 4 69.672 69.340 0.332 1
1 39 . 2 1 1 A 4 4 THR C C 4 175.271 174.991 0.280 1
1 40 . 2 1 1 A 5 5 GLY N N 5 111.345 110.392 0.953 1
1 41 . 2 1 1 A 5 5 GLY H H 5 8.436 8.146 0.290 1
1 42 . 2 1 1 A 5 5 GLY CA C 5 45.297 45.905 -0.608 1
1 43 . 2 1 1 A 5 5 GLY HA2 H 5 3.942 3.998 -0.056 1
1 44 . 2 1 1 A 5 5 GLY HA3 H 5 3.942 3.999 -0.057 1
1 45 . 2 1 1 A 5 5 GLY C C 5 173.668 174.220 -0.552 1
1 46 . 2 1 1 A 6 6 LYS N N 6 119.783 117.580 2.203 1
1 47 . 2 1 1 A 6 6 LYS H H 6 8.017 7.578 0.439 1
1 48 . 2 1 1 A 6 6 LYS CA C 6 55.538 57.365 -1.827 1
1 49 . 2 1 1 A 6 6 LYS HA H 6 4.387 4.391 -0.004 1
1 50 . 2 1 1 A 6 6 LYS CB C 6 33.257 33.442 -0.185 1
1 62 . 2 1 1 A 6 6 LYS C C 6 176.029 176.443 -0.414 1
1 63 . 2 1 1 A 7 7 GLU N N 7 122.414 116.966 5.448 1
1 64 . 2 1 1 A 7 7 GLU H H 7 8.584 7.869 0.715 1
1 65 . 2 1 1 A 7 7 GLU CA C 7 55.404 55.382 0.022 1
1 66 . 2 1 1 A 7 7 GLU HA H 7 4.495 4.612 -0.117 1
1 67 . 2 1 1 A 7 7 GLU CB C 7 30.382 30.756 -0.374 1
1 73 . 2 1 1 A 7 7 GLU C C 7 174.014 174.992 -0.978 1
1 74 . 2 1 1 A 8 8 LEU N N 8 122.989 126.129 -3.140 1
1 75 . 2 1 1 A 8 8 LEU H H 8 8.414 8.825 -0.411 1
1 76 . 2 1 1 A 8 8 LEU CA C 8 53.188 53.560 -0.372 1
1 77 . 2 1 1 A 8 8 LEU HA H 8 5.381 5.101 0.280 1
1 78 . 2 1 1 A 8 8 LEU CB C 8 45.173 43.869 1.304 1
1 90 . 2 1 1 A 8 8 LEU C C 8 177.329 176.286 1.043 1
1 91 . 2 1 1 A 9 9 VAL N N 9 111.709 117.950 -6.241 1
1 92 . 2 1 1 A 9 9 VAL H H 9 9.125 9.124 0.001 1
1 93 . 2 1 1 A 9 9 VAL CA C 9 57.854 59.252 -1.398 1
1 94 . 2 1 1 A 9 9 VAL HA H 9 5.232 4.894 0.338 1
1 95 . 2 1 1 A 9 9 VAL CB C 9 35.864 35.688 0.176 1
1 105 . 2 1 1 A 9 9 VAL C C 9 172.368 173.862 -1.494 1
1 106 . 2 1 1 A 10 10 LEU N N 10 123.520 127.232 -3.712 1
1 107 . 2 1 1 A 10 10 LEU H H 10 8.989 9.062 -0.073 1
1 108 . 2 1 1 A 10 10 LEU CA C 10 52.445 53.320 -0.875 1
1 109 . 2 1 1 A 10 10 LEU HA H 10 5.113 5.275 -0.162 1
1 110 . 2 1 1 A 10 10 LEU CB C 10 46.776 44.914 1.862 1
1 123 . 2 1 1 A 10 10 LEU C C 10 176.549 175.371 1.178 1
1 124 . 2 1 1 A 11 11 ALA N N 11 127.272 128.232 -0.960 1
1 125 . 2 1 1 A 11 11 ALA H H 11 9.163 8.913 0.250 1
1 126 . 2 1 1 A 11 11 ALA CA C 11 52.416 51.873 0.543 1
1 127 . 2 1 1 A 11 11 ALA HA H 11 4.602 4.533 0.069 1
1 131 . 2 1 1 A 11 11 ALA CB C 11 19.274 19.257 0.017 1
1 132 . 2 1 1 A 11 11 ALA C C 11 178.282 176.968 1.314 1
1 133 . 2 1 1 A 12 12 LEU N N 12 127.769 124.846 2.923 1
1 134 . 2 1 1 A 12 12 LEU H H 12 9.257 9.265 -0.008 1
1 135 . 2 1 1 A 12 12 LEU CA C 12 55.442 55.877 -0.435 1
1 136 . 2 1 1 A 12 12 LEU HA H 12 3.898 4.251 -0.353 1
1 137 . 2 1 1 A 12 12 LEU CB C 12 43.110 42.433 0.677 1
1 150 . 2 1 1 A 12 12 LEU C C 12 174.946 176.529 -1.583 1
1 151 . 2 1 1 A 13 13 TYR N N 13 111.673 115.553 -3.880 1
1 152 . 2 1 1 A 13 13 TYR H H 13 7.129 7.995 -0.866 1
1 153 . 2 1 1 A 13 13 TYR CA C 13 54.720 56.639 -1.919 1
1 154 . 2 1 1 A 13 13 TYR HA H 13 4.633 5.005 -0.372 1
1 155 . 2 1 1 A 13 13 TYR CB C 13 43.043 41.782 1.261 1
1 166 . 2 1 1 A 13 13 TYR C C 13 173.668 175.071 -1.403 1
1 167 . 2 1 1 A 14 14 ASP N N 14 117.814 120.671 -2.857 1
1 168 . 2 1 1 A 14 14 ASP H H 14 8.347 8.787 -0.440 1
1 169 . 2 1 1 A 14 14 ASP CA C 14 54.571 53.397 1.174 1
1 170 . 2 1 1 A 14 14 ASP HA H 14 4.633 5.343 -0.710 1
1 171 . 2 1 1 A 14 14 ASP CB C 14 41.136 42.233 -1.097 1
1 174 . 2 1 1 A 14 14 ASP C C 14 176.051 174.928 1.123 1
1 175 . 2 1 1 A 15 15 TYR N N 15 120.213 122.592 -2.379 1
1 176 . 2 1 1 A 15 15 TYR H H 15 8.748 8.987 -0.239 1
1 177 . 2 1 1 A 15 15 TYR CA C 15 59.454 57.353 2.101 1
1 178 . 2 1 1 A 15 15 TYR HA H 15 4.654 5.291 -0.637 1
1 179 . 2 1 1 A 15 15 TYR CB C 15 43.400 42.610 0.790 1
1 190 . 2 1 1 A 15 15 TYR C C 15 172.758 173.840 -1.082 1
1 191 . 2 1 1 A 16 16 GLN N N 16 126.986 123.937 3.049 1
1 192 . 2 1 1 A 16 16 GLN H H 16 7.558 8.213 -0.655 1
1 193 . 2 1 1 A 16 16 GLN CA C 16 53.534 53.983 -0.449 1
1 194 . 2 1 1 A 16 16 GLN HA H 16 4.500 4.870 -0.370 1
1 195 . 2 1 1 A 16 16 GLN CB C 16 29.071 31.733 -2.662 1
1 204 . 2 1 1 A 16 16 GLN C C 16 173.863 174.092 -0.229 1
1 205 . 2 1 1 A 17 17 GLU N N 17 123.063 121.126 1.937 1
1 206 . 2 1 1 A 17 17 GLU H H 17 7.979 8.036 -0.057 1
1 207 . 2 1 1 A 17 17 GLU CA C 17 55.935 56.087 -0.152 1
1 208 . 2 1 1 A 17 17 GLU HA H 17 4.182 4.385 -0.203 1
1 209 . 2 1 1 A 17 17 GLU CB C 17 28.948 30.195 -1.247 1
1 215 . 2 1 1 A 17 17 GLU C C 17 175.899 176.811 -0.912 1
1 216 . 2 1 1 A 18 18 LYS N N 18 120.853 119.711 1.142 1
1 217 . 2 1 1 A 18 18 LYS H H 18 8.771 8.805 -0.034 1
1 218 . 2 1 1 A 18 18 LYS CA C 18 55.393 56.414 -1.021 1
1 219 . 2 1 1 A 18 18 LYS HA H 18 4.390 4.618 -0.228 1
1 220 . 2 1 1 A 18 18 LYS CB C 18 33.393 34.495 -1.102 1
1 232 . 2 1 1 A 18 18 LYS C C 18 176.138 176.090 0.048 1
1 233 . 2 1 1 A 19 19 SER N N 19 115.089 115.326 -0.237 1
1 234 . 2 1 1 A 19 19 SER H H 19 7.658 8.049 -0.391 1
1 235 . 2 1 1 A 19 19 SER CA C 19 56.821 55.765 1.056 1
1 236 . 2 1 1 A 19 19 SER HA H 19 4.863 4.877 -0.014 1
1 237 . 2 1 1 A 19 19 SER CB C 19 64.208 64.988 -0.780 1
1 241 . 2 1 1 A 20 20 PRO CA C 20 64.803 64.450 0.353 1
1 242 . 2 1 1 A 20 20 PRO HA H 20 4.521 4.493 0.028 1
1 243 . 2 1 1 A 20 20 PRO CB C 20 31.657 31.839 -0.182 1
1 251 . 2 1 1 A 20 20 PRO C C 20 176.657 177.495 -0.838 1
1 252 . 2 1 1 A 21 21 ARG N N 21 113.827 116.620 -2.793 1
1 253 . 2 1 1 A 21 21 ARG H H 21 7.694 8.332 -0.638 1
1 254 . 2 1 1 A 21 21 ARG CA C 21 56.119 57.149 -1.030 1
1 255 . 2 1 1 A 21 21 ARG HA H 21 4.593 4.309 0.284 1
1 256 . 2 1 1 A 21 21 ARG CB C 21 30.299 31.138 -0.839 1
1 265 . 2 1 1 A 21 21 ARG C C 21 173.386 177.029 -3.643 1
1 266 . 2 1 1 A 22 22 GLU N N 22 121.389 118.003 3.386 1
1 267 . 2 1 1 A 22 22 GLU H H 22 7.850 7.983 -0.133 1
1 268 . 2 1 1 A 22 22 GLU CA C 22 54.951 56.161 -1.210 1
1 269 . 2 1 1 A 22 22 GLU HA H 22 5.487 4.672 0.815 1
1 270 . 2 1 1 A 22 22 GLU CB C 22 33.588 30.574 3.014 1
1 276 . 2 1 1 A 22 22 GLU C C 22 174.491 176.056 -1.565 1
1 277 . 2 1 1 A 23 23 VAL N N 23 113.069 118.930 -5.861 1
1 278 . 2 1 1 A 23 23 VAL H H 23 7.410 8.870 -1.460 1
1 279 . 2 1 1 A 23 23 VAL CA C 23 59.793 59.748 0.045 1
1 280 . 2 1 1 A 23 23 VAL HA H 23 4.531 4.833 -0.302 1
1 281 . 2 1 1 A 23 23 VAL CB C 23 34.667 34.712 -0.045 1
1 291 . 2 1 1 A 23 23 VAL C C 23 172.541 174.744 -2.203 1
1 292 . 2 1 1 A 24 24 THR N N 24 118.283 119.501 -1.218 1
1 293 . 2 1 1 A 24 24 THR H H 24 7.362 8.711 -1.349 1
1 294 . 2 1 1 A 24 24 THR CA C 24 61.708 62.726 -1.018 1
1 295 . 2 1 1 A 24 24 THR HA H 24 5.085 4.650 0.435 1
1 296 . 2 1 1 A 24 24 THR CB C 24 70.934 69.363 1.571 1
1 302 . 2 1 1 A 24 24 THR C C 24 174.274 174.473 -0.199 1
1 303 . 2 1 1 A 25 25 MET N N 25 121.971 123.916 -1.945 1
1 304 . 2 1 1 A 25 25 MET H H 25 9.523 9.286 0.237 1
1 305 . 2 1 1 A 25 25 MET CA C 25 54.328 53.109 1.219 1
1 306 . 2 1 1 A 25 25 MET HA H 25 4.929 5.544 -0.615 1
1 307 . 2 1 1 A 25 25 MET CB C 25 36.287 36.268 0.019 1
1 317 . 2 1 1 A 25 25 MET C C 25 173.841 174.713 -0.872 1
1 318 . 2 1 1 A 26 26 LYS N N 26 124.399 118.846 5.553 1
1 319 . 2 1 1 A 26 26 LYS H H 26 8.820 8.795 0.025 1
1 320 . 2 1 1 A 26 26 LYS CA C 26 53.699 54.451 -0.752 1
1 321 . 2 1 1 A 26 26 LYS HA H 26 4.879 4.900 -0.021 1
1 322 . 2 1 1 A 26 26 LYS CB C 26 34.097 36.369 -2.272 1
1 332 . 2 1 1 A 26 26 LYS C C 26 174.968 176.501 -1.533 1
1 333 . 2 1 1 A 27 27 LYS N N 27 122.619 121.967 0.652 1
1 334 . 2 1 1 A 27 27 LYS H H 27 9.013 8.508 0.505 1
1 335 . 2 1 1 A 27 27 LYS CA C 27 58.078 57.053 1.025 1
1 336 . 2 1 1 A 27 27 LYS HA H 27 4.837 4.383 0.454 1
1 337 . 2 1 1 A 27 27 LYS CB C 27 32.269 31.979 0.290 1
1 349 . 2 1 1 A 27 27 LYS C C 27 177.307 176.979 0.328 1
1 350 . 2 1 1 A 28 28 GLY N N 28 115.785 112.821 2.964 1
1 351 . 2 1 1 A 28 28 GLY H H 28 8.902 9.264 -0.362 1
1 352 . 2 1 1 A 28 28 GLY CA C 28 44.564 45.020 -0.456 1
1 353 . 2 1 1 A 28 28 GLY HA2 H 28 3.538 4.022 -0.484 1
1 354 . 2 1 1 A 28 28 GLY HA3 H 28 4.481 4.027 0.454 1
1 355 . 2 1 1 A 28 28 GLY C C 28 174.014 174.193 -0.179 1
1 356 . 2 1 1 A 29 29 ASP N N 29 122.243 121.603 0.640 1
1 357 . 2 1 1 A 29 29 ASP H H 29 8.511 8.367 0.144 1
1 358 . 2 1 1 A 29 29 ASP CA C 29 55.353 54.446 0.907 1
1 359 . 2 1 1 A 29 29 ASP HA H 29 4.523 4.743 -0.220 1
1 360 . 2 1 1 A 29 29 ASP CB C 29 41.146 42.541 -1.395 1
1 363 . 2 1 1 A 29 29 ASP C C 29 174.274 175.551 -1.277 1
1 364 . 2 1 1 A 30 30 ILE N N 30 120.587 122.870 -2.283 1
1 365 . 2 1 1 A 30 30 ILE H H 30 8.227 8.458 -0.231 1
1 366 . 2 1 1 A 30 30 ILE CA C 30 60.366 60.150 0.216 1
1 367 . 2 1 1 A 30 30 ILE HA H 30 5.036 5.190 -0.154 1
1 368 . 2 1 1 A 30 30 ILE CB C 30 38.210 41.041 -2.831 1
1 381 . 2 1 1 A 30 30 ILE C C 30 176.246 174.849 1.397 1
1 382 . 2 1 1 A 31 31 LEU N N 31 128.265 126.614 1.651 1
1 383 . 2 1 1 A 31 31 LEU H H 31 9.353 8.976 0.377 1
1 384 . 2 1 1 A 31 31 LEU CA C 31 53.414 53.435 -0.021 1
1 385 . 2 1 1 A 31 31 LEU HA H 31 5.010 5.035 -0.025 1
1 386 . 2 1 1 A 31 31 LEU CB C 31 43.893 45.920 -2.027 1
1 397 . 2 1 1 A 31 31 LEU C C 31 175.596 175.389 0.207 1
1 398 . 2 1 1 A 32 32 THR N N 32 117.027 117.843 -0.816 1
1 399 . 2 1 1 A 32 32 THR H H 32 8.146 8.637 -0.491 1
1 400 . 2 1 1 A 32 32 THR CA C 32 63.046 62.170 0.876 1
1 401 . 2 1 1 A 32 32 THR HA H 32 4.629 4.795 -0.166 1
1 402 . 2 1 1 A 32 32 THR CB C 32 69.576 69.067 0.509 1
1 408 . 2 1 1 A 32 32 THR C C 32 173.559 174.480 -0.921 1
1 409 . 2 1 1 A 33 33 LEU N N 33 129.212 128.972 0.240 1
1 410 . 2 1 1 A 33 33 LEU H H 33 9.070 8.512 0.558 1
1 411 . 2 1 1 A 33 33 LEU CA C 33 54.894 55.782 -0.888 1
1 412 . 2 1 1 A 33 33 LEU HA H 33 4.351 4.363 -0.012 1
1 413 . 2 1 1 A 33 33 LEU CB C 33 43.191 42.112 1.079 1
1 426 . 2 1 1 A 33 33 LEU C C 33 174.513 176.554 -2.041 1
1 427 . 2 1 1 A 34 34 LEU N N 34 125.818 129.433 -3.615 1
1 428 . 2 1 1 A 34 34 LEU H H 34 9.060 8.997 0.063 1
1 429 . 2 1 1 A 34 34 LEU CA C 34 54.885 55.837 -0.952 1
1 430 . 2 1 1 A 34 34 LEU HA H 34 4.523 4.382 0.141 1
1 431 . 2 1 1 A 34 34 LEU CB C 34 42.990 43.164 -0.174 1
1 443 . 2 1 1 A 34 34 LEU C C 34 177.502 175.966 1.536 1
1 444 . 2 1 1 A 35 35 ASN N N 35 114.008 117.571 -3.563 1
1 445 . 2 1 1 A 35 35 ASN H H 35 7.617 7.978 -0.361 1
1 446 . 2 1 1 A 35 35 ASN CA C 35 54.502 52.041 2.461 1
1 447 . 2 1 1 A 35 35 ASN HA H 35 4.736 4.976 -0.240 1
1 448 . 2 1 1 A 35 35 ASN CB C 35 40.933 41.554 -0.621 1
1 454 . 2 1 1 A 35 35 ASN C C 35 174.318 174.237 0.081 1
1 455 . 2 1 1 A 36 36 SER N N 36 123.608 118.569 5.039 1
1 456 . 2 1 1 A 36 36 SER H H 36 9.172 8.314 0.858 1
1 457 . 2 1 1 A 36 36 SER CA C 36 56.915 56.702 0.213 1
1 458 . 2 1 1 A 36 36 SER HA H 36 3.940 4.255 -0.315 1
1 459 . 2 1 1 A 36 36 SER CB C 36 62.042 62.940 -0.898 1
1 462 . 2 1 1 A 36 36 SER C C 36 173.364 175.280 -1.916 1
1 463 . 2 1 1 A 37 37 THR N N 37 115.130 116.152 -1.022 1
1 464 . 2 1 1 A 37 37 THR H H 37 8.184 7.658 0.526 1
1 465 . 2 1 1 A 37 37 THR CA C 37 65.381 65.466 -0.085 1
1 466 . 2 1 1 A 37 37 THR HA H 37 3.980 4.029 -0.049 1
1 467 . 2 1 1 A 37 37 THR CB C 37 69.489 69.037 0.452 1
1 473 . 2 1 1 A 37 37 THR C C 37 175.249 174.690 0.559 1
1 474 . 2 1 1 A 38 38 ASN N N 38 122.469 118.086 4.383 1
1 475 . 2 1 1 A 38 38 ASN H H 38 8.681 8.215 0.466 1
1 476 . 2 1 1 A 38 38 ASN CA C 38 53.337 52.466 0.871 1
1 477 . 2 1 1 A 38 38 ASN HA H 38 4.867 4.973 -0.106 1
1 478 . 2 1 1 A 38 38 ASN CB C 38 40.376 40.297 0.079 1
1 484 . 2 1 1 A 38 38 ASN C C 38 174.599 175.545 -0.946 1
1 485 . 2 1 1 A 39 39 LYS N N 39 120.915 119.797 1.118 1
1 486 . 2 1 1 A 39 39 LYS H H 39 8.516 8.542 -0.026 1
1 487 . 2 1 1 A 39 39 LYS CA C 39 58.333 56.718 1.615 1
1 488 . 2 1 1 A 39 39 LYS HA H 39 4.247 4.818 -0.571 1
1 489 . 2 1 1 A 39 39 LYS CB C 39 32.371 34.492 -2.121 1
1 499 . 2 1 1 A 39 39 LYS C C 39 176.268 177.714 -1.446 1
1 500 . 2 1 1 A 40 40 ASP N N 40 114.512 117.325 -2.813 1
1 501 . 2 1 1 A 40 40 ASP H H 40 8.210 7.942 0.268 1
1 502 . 2 1 1 A 40 40 ASP CA C 40 55.083 55.714 -0.631 1
1 503 . 2 1 1 A 40 40 ASP HA H 40 4.544 4.380 0.164 1
1 504 . 2 1 1 A 40 40 ASP CB C 40 43.014 41.955 1.059 1
1 507 . 2 1 1 A 40 40 ASP C C 40 176.852 175.646 1.206 1
1 508 . 2 1 1 A 41 41 TRP N N 41 122.703 116.576 6.127 1
1 509 . 2 1 1 A 41 41 TRP H H 41 8.212 8.028 0.184 1
1 510 . 2 1 1 A 41 41 TRP CA C 41 56.005 55.550 0.455 1
1 511 . 2 1 1 A 41 41 TRP HA H 41 5.078 5.283 -0.205 1
1 512 . 2 1 1 A 41 41 TRP CB C 41 32.019 31.283 0.736 1
1 527 . 2 1 1 A 41 41 TRP C C 41 174.166 175.852 -1.686 1
1 528 . 2 1 1 A 42 42 TRP N N 42 124.905 123.678 1.227 1
1 529 . 2 1 1 A 42 42 TRP H H 42 9.380 9.687 -0.307 1
1 530 . 2 1 1 A 42 42 TRP CA C 42 53.861 55.504 -1.643 1
1 531 . 2 1 1 A 42 42 TRP HA H 42 5.523 5.195 0.328 1
1 532 . 2 1 1 A 42 42 TRP CB C 42 31.543 32.669 -1.126 1
1 547 . 2 1 1 A 42 42 TRP C C 42 174.144 175.914 -1.770 1
1 548 . 2 1 1 A 43 43 LYS N N 43 124.120 123.337 0.783 1
1 549 . 2 1 1 A 43 43 LYS H H 43 8.896 8.903 -0.007 1
1 550 . 2 1 1 A 43 43 LYS CA C 43 55.231 55.796 -0.565 1
1 551 . 2 1 1 A 43 43 LYS HA H 43 4.396 4.953 -0.557 1
1 552 . 2 1 1 A 43 43 LYS CB C 43 34.366 33.191 1.175 1
1 564 . 2 1 1 A 43 43 LYS C C 43 175.423 176.099 -0.676 1
1 565 . 2 1 1 A 44 44 VAL N N 44 121.984 117.814 4.170 1
1 566 . 2 1 1 A 44 44 VAL H H 44 9.430 9.022 0.408 1
1 567 . 2 1 1 A 44 44 VAL CA C 44 58.751 58.701 0.050 1
1 568 . 2 1 1 A 44 44 VAL HA H 44 5.375 5.179 0.196 1
1 569 . 2 1 1 A 44 44 VAL CB C 44 36.378 35.599 0.779 1
1 579 . 2 1 1 A 44 44 VAL C C 44 173.234 173.635 -0.401 1
1 580 . 2 1 1 A 45 45 GLU N N 45 118.425 122.392 -3.967 1
1 581 . 2 1 1 A 45 45 GLU H H 45 8.757 9.182 -0.425 1
1 582 . 2 1 1 A 45 45 GLU CA C 45 54.139 55.279 -1.140 1
1 583 . 2 1 1 A 45 45 GLU HA H 45 5.423 5.331 0.092 1
1 584 . 2 1 1 A 45 45 GLU CB C 45 32.891 31.974 0.917 1
1 590 . 2 1 1 A 45 45 GLU C C 45 174.621 176.017 -1.396 1
1 591 . 2 1 1 A 46 46 VAL N N 46 123.694 120.099 3.595 1
1 592 . 2 1 1 A 46 46 VAL H H 46 9.089 9.075 0.014 1
1 593 . 2 1 1 A 46 46 VAL CA C 46 59.627 59.325 0.302 1
1 594 . 2 1 1 A 46 46 VAL HA H 46 4.669 5.093 -0.424 1
1 595 . 2 1 1 A 46 46 VAL CB C 46 35.290 35.806 -0.516 1
1 604 . 2 1 1 A 46 46 VAL C C 46 173.234 173.485 -0.251 1
1 605 . 2 1 1 A 47 47 LYS N N 47 124.893 121.627 3.266 1
1 606 . 2 1 1 A 47 47 LYS H H 47 8.455 8.667 -0.212 1
1 607 . 2 1 1 A 47 47 LYS CA C 47 55.404 54.662 0.742 1
1 608 . 2 1 1 A 47 47 LYS HA H 47 5.022 5.263 -0.241 1
1 609 . 2 1 1 A 47 47 LYS CB C 47 33.959 35.156 -1.197 1
1 619 . 2 1 1 A 47 47 LYS C C 47 175.899 175.039 0.860 1
1 620 . 2 1 1 A 48 48 ILE N N 48 124.447 128.322 -3.875 1
1 621 . 2 1 1 A 48 48 ILE H H 48 8.989 9.215 -0.226 1
1 622 . 2 1 1 A 48 48 ILE CA C 48 59.646 60.036 -0.390 1
1 623 . 2 1 1 A 48 48 ILE HA H 48 4.529 4.868 -0.339 1
1 624 . 2 1 1 A 48 48 ILE CB C 48 41.170 39.334 1.836 1
1 637 . 2 1 1 A 48 48 ILE C C 48 174.144 174.670 -0.526 1
1 638 . 2 1 1 A 49 49 THR N N 49 121.012 123.070 -2.058 1
1 639 . 2 1 1 A 49 49 THR H H 49 8.570 8.953 -0.383 1
1 640 . 2 1 1 A 49 49 THR CA C 49 61.301 62.274 -0.973 1
1 641 . 2 1 1 A 49 49 THR HA H 49 5.272 5.053 0.219 1
1 642 . 2 1 1 A 49 49 THR CB C 49 69.853 69.335 0.518 1
1 648 . 2 1 1 A 49 49 THR C C 49 174.318 174.006 0.312 1
1 649 . 2 1 1 A 50 50 VAL N N 50 126.754 126.753 0.001 1
1 650 . 2 1 1 A 50 50 VAL H H 50 9.104 9.063 0.041 1
1 651 . 2 1 1 A 50 50 VAL CA C 50 61.070 61.451 -0.381 1
1 652 . 2 1 1 A 50 50 VAL HA H 50 4.292 4.561 -0.269 1
1 653 . 2 1 1 A 50 50 VAL CB C 50 34.452 34.405 0.047 1
1 663 . 2 1 1 A 50 50 VAL C C 50 175.899 176.417 -0.518 1
1 664 . 2 1 1 A 51 51 ASN N N 51 127.590 126.126 1.464 1
1 665 . 2 1 1 A 51 51 ASN H H 51 9.619 9.591 0.028 1
1 666 . 2 1 1 A 51 51 ASN CA C 51 54.177 54.403 -0.226 1
1 667 . 2 1 1 A 51 51 ASN HA H 51 4.390 4.408 -0.018 1
1 668 . 2 1 1 A 51 51 ASN CB C 51 37.413 37.531 -0.118 1
1 671 . 2 1 1 A 51 51 ASN C C 51 175.249 174.671 0.578 1
1 672 . 2 1 1 A 52 52 GLY N N 52 102.845 103.993 -1.148 1
1 673 . 2 1 1 A 52 52 GLY H H 52 8.535 8.667 -0.132 1
1 674 . 2 1 1 A 52 52 GLY CA C 52 45.443 45.689 -0.246 1
1 675 . 2 1 1 A 52 52 GLY HA2 H 52 3.555 3.867 -0.312 1
1 676 . 2 1 1 A 52 52 GLY HA3 H 52 4.120 3.868 0.252 1
1 677 . 2 1 1 A 52 52 GLY C C 52 176.398 173.819 2.579 1
1 678 . 2 1 1 A 53 53 LYS N N 53 121.989 120.544 1.445 1
1 679 . 2 1 1 A 53 53 LYS H H 53 7.849 8.061 -0.212 1
1 680 . 2 1 1 A 53 53 LYS CA C 53 54.807 54.622 0.185 1
1 681 . 2 1 1 A 53 53 LYS HA H 53 4.641 4.413 0.228 1
1 682 . 2 1 1 A 53 53 LYS CB C 53 34.440 34.445 -0.005 1
1 694 . 2 1 1 A 53 53 LYS C C 53 174.513 175.730 -1.217 1
1 695 . 2 1 1 A 54 54 THR N N 54 118.860 117.020 1.840 1
1 696 . 2 1 1 A 54 54 THR H H 54 8.445 8.550 -0.105 1
1 697 . 2 1 1 A 54 54 THR CA C 54 62.074 61.611 0.463 1
1 698 . 2 1 1 A 54 54 THR HA H 54 5.167 4.413 0.754 1
1 699 . 2 1 1 A 54 54 THR CB C 54 70.071 69.506 0.565 1
1 705 . 2 1 1 A 54 54 THR C C 54 173.689 173.701 -0.012 1
1 706 . 2 1 1 A 55 55 TYR N N 55 125.966 123.060 2.906 1
1 707 . 2 1 1 A 55 55 TYR H H 55 9.319 9.563 -0.244 1
1 708 . 2 1 1 A 55 55 TYR CA C 55 56.507 56.189 0.318 1
1 709 . 2 1 1 A 55 55 TYR HA H 55 4.767 5.146 -0.379 1
1 710 . 2 1 1 A 55 55 TYR CB C 55 40.591 41.963 -1.372 1
1 721 . 2 1 1 A 55 55 TYR C C 55 173.538 175.196 -1.658 1
1 722 . 2 1 1 A 56 56 GLU N N 56 119.827 121.344 -1.517 1
1 723 . 2 1 1 A 56 56 GLU H H 56 8.568 8.884 -0.316 1
1 724 . 2 1 1 A 56 56 GLU CA C 56 54.503 55.187 -0.684 1
1 725 . 2 1 1 A 56 56 GLU HA H 56 5.247 5.410 -0.163 1
1 726 . 2 1 1 A 56 56 GLU CB C 56 30.297 32.621 -2.324 1
1 732 . 2 1 1 A 56 56 GLU C C 56 175.726 175.299 0.427 1
1 733 . 2 1 1 A 57 57 ARG N N 57 123.399 121.798 1.601 1
1 734 . 2 1 1 A 57 57 ARG H H 57 8.971 8.408 0.563 1
1 735 . 2 1 1 A 57 57 ARG CA C 57 54.944 54.715 0.229 1
1 736 . 2 1 1 A 57 57 ARG HA H 57 4.710 5.129 -0.419 1
1 737 . 2 1 1 A 57 57 ARG CB C 57 33.362 34.117 -0.755 1
1 746 . 2 1 1 A 57 57 ARG C C 57 174.166 174.661 -0.495 1
1 747 . 2 1 1 A 58 58 GLN N N 58 120.188 119.673 0.515 1
1 748 . 2 1 1 A 58 58 GLN H H 58 8.634 8.659 -0.025 1
1 749 . 2 1 1 A 58 58 GLN CA C 58 53.251 54.745 -1.494 1
1 750 . 2 1 1 A 58 58 GLN HA H 58 5.602 5.347 0.255 1
1 751 . 2 1 1 A 58 58 GLN CB C 58 31.229 31.224 0.005 1
1 760 . 2 1 1 A 58 58 GLN C C 58 175.726 174.572 1.154 1
1 761 . 2 1 1 A 59 59 GLY N N 59 107.196 108.916 -1.720 1
1 762 . 2 1 1 A 59 59 GLY H H 59 8.644 8.954 -0.310 1
1 763 . 2 1 1 A 59 59 GLY CA C 59 45.583 44.308 1.275 1
1 764 . 2 1 1 A 59 59 GLY HA2 H 59 3.947 4.248 -0.301 1
1 765 . 2 1 1 A 59 59 GLY HA3 H 59 3.947 4.410 -0.463 1
1 766 . 2 1 1 A 59 59 GLY C C 59 170.223 172.016 -1.793 1
1 767 . 2 1 1 A 60 60 PHE N N 60 119.079 119.173 -0.094 1
1 768 . 2 1 1 A 60 60 PHE H H 60 9.178 8.813 0.365 1
1 769 . 2 1 1 A 60 60 PHE CA C 60 58.544 58.155 0.389 1
1 770 . 2 1 1 A 60 60 PHE HA H 60 5.668 5.205 0.463 1
1 771 . 2 1 1 A 60 60 PHE CB C 60 42.484 40.932 1.552 1
1 784 . 2 1 1 A 60 60 PHE C C 60 175.423 175.786 -0.363 1
1 785 . 2 1 1 A 61 61 VAL N N 61 111.060 116.473 -5.413 1
1 786 . 2 1 1 A 61 61 VAL H H 61 9.089 9.031 0.058 1
1 787 . 2 1 1 A 61 61 VAL CA C 61 58.189 58.558 -0.369 1
1 788 . 2 1 1 A 61 61 VAL HA H 61 4.833 4.884 -0.051 1
1 789 . 2 1 1 A 61 61 VAL CB C 61 33.744 35.183 -1.439 1
1 800 . 2 1 1 A 62 62 PRO CA C 62 61.852 62.152 -0.300 1
1 801 . 2 1 1 A 62 62 PRO HA H 62 3.572 4.206 -0.634 1
1 802 . 2 1 1 A 62 62 PRO CB C 62 29.704 30.911 -1.207 1
1 810 . 2 1 1 A 62 62 PRO C C 62 177.719 177.397 0.322 1
1 811 . 2 1 1 A 63 63 ALA N N 63 129.142 128.286 0.856 1
1 812 . 2 1 1 A 63 63 ALA H H 63 7.477 8.408 -0.931 1
1 813 . 2 1 1 A 63 63 ALA CA C 63 54.472 54.449 0.023 1
1 814 . 2 1 1 A 63 63 ALA HA H 63 2.655 3.683 -1.028 1
1 818 . 2 1 1 A 63 63 ALA CB C 63 15.740 17.023 -1.283 1
1 819 . 2 1 1 A 63 63 ALA C C 63 178.434 179.544 -1.110 1
1 820 . 2 1 1 A 64 64 ALA N N 64 113.410 119.390 -5.980 1
1 821 . 2 1 1 A 64 64 ALA H H 64 7.857 8.096 -0.239 1
1 822 . 2 1 1 A 64 64 ALA CA C 64 52.991 54.227 -1.236 1
1 823 . 2 1 1 A 64 64 ALA HA H 64 4.006 4.037 -0.031 1
1 827 . 2 1 1 A 64 64 ALA CB C 64 17.605 18.266 -0.661 1
1 828 . 2 1 1 A 64 64 ALA C C 64 178.109 178.174 -0.065 1
1 829 . 2 1 1 A 65 65 TYR N N 65 116.059 116.613 -0.554 1
1 830 . 2 1 1 A 65 65 TYR H H 65 7.705 7.946 -0.241 1
1 831 . 2 1 1 A 65 65 TYR CA C 65 56.477 58.367 -1.890 1
1 832 . 2 1 1 A 65 65 TYR HA H 65 4.758 4.742 0.016 1
1 833 . 2 1 1 A 65 65 TYR CB C 65 37.765 39.203 -1.438 1
1 844 . 2 1 1 A 65 65 TYR C C 65 174.361 175.611 -1.250 1
1 845 . 2 1 1 A 66 66 VAL N N 66 111.003 115.111 -4.108 1
1 846 . 2 1 1 A 66 66 VAL H H 66 7.422 7.640 -0.218 1
1 847 . 2 1 1 A 66 66 VAL CA C 66 58.268 59.049 -0.781 1
1 848 . 2 1 1 A 66 66 VAL HA H 66 5.547 5.025 0.522 1
1 849 . 2 1 1 A 66 66 VAL CB C 66 35.809 36.772 -0.963 1
1 859 . 2 1 1 A 66 66 VAL C C 66 173.538 173.815 -0.277 1
1 860 . 2 1 1 A 67 67 LYS N N 67 118.514 119.041 -0.527 1
1 861 . 2 1 1 A 67 67 LYS H H 67 8.636 8.964 -0.328 1
1 862 . 2 1 1 A 67 67 LYS CA C 67 53.828 54.594 -0.766 1
1 863 . 2 1 1 A 67 67 LYS HA H 67 4.840 5.044 -0.204 1
1 864 . 2 1 1 A 67 67 LYS CB C 67 36.636 35.574 1.062 1
1 876 . 2 1 1 A 67 67 LYS C C 67 176.029 175.338 0.691 1
1 877 . 2 1 1 A 68 68 LYS N N 68 125.817 121.351 4.466 1
1 878 . 2 1 1 A 68 68 LYS H H 68 9.246 8.765 0.481 1
1 879 . 2 1 1 A 68 68 LYS CA C 68 58.514 57.158 1.356 1
1 880 . 2 1 1 A 68 68 LYS HA H 68 4.494 4.426 0.068 1
1 881 . 2 1 1 A 68 68 LYS CB C 68 32.893 32.581 0.312 1
1 891 . 2 1 1 A 68 68 LYS C C 68 176.679 177.611 -0.932 1
1 892 . 2 1 1 A 69 69 LEU N N 69 125.294 125.977 -0.683 1
1 893 . 2 1 1 A 69 69 LEU H H 69 8.506 8.817 -0.311 1
1 894 . 2 1 1 A 69 69 LEU CA C 69 54.873 58.332 -3.459 1
1 895 . 2 1 1 A 69 69 LEU HA H 69 4.429 4.143 0.286 1
1 896 . 2 1 1 A 69 69 LEU CB C 69 42.631 41.349 1.282 1
1 909 . 2 1 1 A 69 69 LEU C C 69 176.203 177.473 -1.270 1
1 10 . 3 1 1 A 2 2 ASP N N 2 123.392 119.300 4.092 1
1 11 . 3 1 1 A 2 2 ASP H H 2 8.830 8.715 0.115 1
1 12 . 3 1 1 A 2 2 ASP CA C 2 54.029 53.270 0.759 1
1 13 . 3 1 1 A 2 2 ASP HA H 2 4.699 4.853 -0.154 1
1 14 . 3 1 1 A 2 2 ASP CB C 2 40.198 40.406 -0.208 1
1 17 . 3 1 1 A 2 2 ASP C C 2 175.639 175.380 0.259 1
1 18 . 3 1 1 A 3 3 GLU N N 3 121.824 120.528 1.296 1
1 19 . 3 1 1 A 3 3 GLU H H 3 8.663 7.724 0.939 1
1 20 . 3 1 1 A 3 3 GLU CA C 3 56.162 55.447 0.715 1
1 21 . 3 1 1 A 3 3 GLU HA H 3 4.406 4.588 -0.182 1
1 22 . 3 1 1 A 3 3 GLU CB C 3 28.702 29.860 -1.158 1
1 28 . 3 1 1 A 3 3 GLU C C 3 176.354 176.056 0.298 1
1 29 . 3 1 1 A 4 4 THR N N 4 114.607 118.106 -3.499 1
1 30 . 3 1 1 A 4 4 THR H H 4 8.285 7.828 0.457 1
1 31 . 3 1 1 A 4 4 THR CA C 4 62.425 63.461 -1.036 1
1 32 . 3 1 1 A 4 4 THR HA H 4 4.267 4.199 0.068 1
1 33 . 3 1 1 A 4 4 THR CB C 4 69.672 70.034 -0.362 1
1 39 . 3 1 1 A 4 4 THR C C 4 175.271 175.119 0.152 1
1 40 . 3 1 1 A 5 5 GLY N N 5 111.345 109.593 1.752 1
1 41 . 3 1 1 A 5 5 GLY H H 5 8.436 7.610 0.826 1
1 42 . 3 1 1 A 5 5 GLY CA C 5 45.297 45.582 -0.285 1
1 43 . 3 1 1 A 5 5 GLY HA2 H 5 3.942 4.018 -0.076 1
1 44 . 3 1 1 A 5 5 GLY HA3 H 5 3.942 4.018 -0.076 1
1 45 . 3 1 1 A 5 5 GLY C C 5 173.668 174.581 -0.913 1
1 46 . 3 1 1 A 6 6 LYS N N 6 119.783 118.748 1.035 1
1 47 . 3 1 1 A 6 6 LYS H H 6 8.017 8.331 -0.314 1
1 48 . 3 1 1 A 6 6 LYS CA C 6 55.538 57.038 -1.500 1
1 49 . 3 1 1 A 6 6 LYS HA H 6 4.387 4.481 -0.094 1
1 50 . 3 1 1 A 6 6 LYS CB C 6 33.257 34.637 -1.380 1
1 62 . 3 1 1 A 6 6 LYS C C 6 176.029 176.152 -0.123 1
1 63 . 3 1 1 A 7 7 GLU N N 7 122.414 116.409 6.005 1
1 64 . 3 1 1 A 7 7 GLU H H 7 8.584 7.763 0.821 1
1 65 . 3 1 1 A 7 7 GLU CA C 7 55.404 55.654 -0.250 1
1 66 . 3 1 1 A 7 7 GLU HA H 7 4.495 4.636 -0.141 1
1 67 . 3 1 1 A 7 7 GLU CB C 7 30.382 30.581 -0.199 1
1 73 . 3 1 1 A 7 7 GLU C C 7 174.014 174.724 -0.710 1
1 74 . 3 1 1 A 8 8 LEU N N 8 122.989 125.830 -2.841 1
1 75 . 3 1 1 A 8 8 LEU H H 8 8.414 8.798 -0.384 1
1 76 . 3 1 1 A 8 8 LEU CA C 8 53.188 54.275 -1.087 1
1 77 . 3 1 1 A 8 8 LEU HA H 8 5.381 4.942 0.439 1
1 78 . 3 1 1 A 8 8 LEU CB C 8 45.173 42.853 2.320 1
1 90 . 3 1 1 A 8 8 LEU C C 8 177.329 176.336 0.993 1
1 91 . 3 1 1 A 9 9 VAL N N 9 111.709 118.497 -6.788 1
1 92 . 3 1 1 A 9 9 VAL H H 9 9.125 9.122 0.003 1
1 93 . 3 1 1 A 9 9 VAL CA C 9 57.854 59.492 -1.638 1
1 94 . 3 1 1 A 9 9 VAL HA H 9 5.232 4.905 0.327 1
1 95 . 3 1 1 A 9 9 VAL CB C 9 35.864 35.519 0.345 1
1 105 . 3 1 1 A 9 9 VAL C C 9 172.368 173.937 -1.569 1
1 106 . 3 1 1 A 10 10 LEU N N 10 123.520 127.327 -3.807 1
1 107 . 3 1 1 A 10 10 LEU H H 10 8.989 9.104 -0.115 1
1 108 . 3 1 1 A 10 10 LEU CA C 10 52.445 53.231 -0.786 1
1 109 . 3 1 1 A 10 10 LEU HA H 10 5.113 5.325 -0.212 1
1 110 . 3 1 1 A 10 10 LEU CB C 10 46.776 45.031 1.745 1
1 123 . 3 1 1 A 10 10 LEU C C 10 176.549 175.089 1.460 1
1 124 . 3 1 1 A 11 11 ALA N N 11 127.272 128.398 -1.126 1
1 125 . 3 1 1 A 11 11 ALA H H 11 9.163 9.008 0.155 1
1 126 . 3 1 1 A 11 11 ALA CA C 11 52.416 51.338 1.078 1
1 127 . 3 1 1 A 11 11 ALA HA H 11 4.602 4.584 0.018 1
1 131 . 3 1 1 A 11 11 ALA CB C 11 19.274 19.738 -0.464 1
1 132 . 3 1 1 A 11 11 ALA C C 11 178.282 176.864 1.418 1
1 133 . 3 1 1 A 12 12 LEU N N 12 127.769 124.690 3.079 1
1 134 . 3 1 1 A 12 12 LEU H H 12 9.257 9.318 -0.061 1
1 135 . 3 1 1 A 12 12 LEU CA C 12 55.442 55.970 -0.528 1
1 136 . 3 1 1 A 12 12 LEU HA H 12 3.898 4.324 -0.426 1
1 137 . 3 1 1 A 12 12 LEU CB C 12 43.110 42.579 0.531 1
1 150 . 3 1 1 A 12 12 LEU C C 12 174.946 176.340 -1.394 1
1 151 . 3 1 1 A 13 13 TYR N N 13 111.673 115.651 -3.978 1
1 152 . 3 1 1 A 13 13 TYR H H 13 7.129 8.163 -1.034 1
1 153 . 3 1 1 A 13 13 TYR CA C 13 54.720 56.851 -2.131 1
1 154 . 3 1 1 A 13 13 TYR HA H 13 4.633 5.029 -0.396 1
1 155 . 3 1 1 A 13 13 TYR CB C 13 43.043 42.183 0.860 1
1 166 . 3 1 1 A 13 13 TYR C C 13 173.668 174.740 -1.072 1
1 167 . 3 1 1 A 14 14 ASP N N 14 117.814 119.915 -2.101 1
1 168 . 3 1 1 A 14 14 ASP H H 14 8.347 8.926 -0.579 1
1 169 . 3 1 1 A 14 14 ASP CA C 14 54.571 53.012 1.559 1
1 170 . 3 1 1 A 14 14 ASP HA H 14 4.633 5.622 -0.989 1
1 171 . 3 1 1 A 14 14 ASP CB C 14 41.136 42.736 -1.600 1
1 174 . 3 1 1 A 14 14 ASP C C 14 176.051 174.815 1.236 1
1 175 . 3 1 1 A 15 15 TYR N N 15 120.213 123.988 -3.775 1
1 176 . 3 1 1 A 15 15 TYR H H 15 8.748 9.109 -0.361 1
1 177 . 3 1 1 A 15 15 TYR CA C 15 59.454 56.526 2.928 1
1 178 . 3 1 1 A 15 15 TYR HA H 15 4.654 5.407 -0.753 1
1 179 . 3 1 1 A 15 15 TYR CB C 15 43.400 42.455 0.945 1
1 190 . 3 1 1 A 15 15 TYR C C 15 172.758 173.811 -1.053 1
1 191 . 3 1 1 A 16 16 GLN N N 16 126.986 123.114 3.872 1
1 192 . 3 1 1 A 16 16 GLN H H 16 7.558 7.855 -0.297 1
1 193 . 3 1 1 A 16 16 GLN CA C 16 53.534 53.383 0.151 1
1 194 . 3 1 1 A 16 16 GLN HA H 16 4.500 4.913 -0.413 1
1 195 . 3 1 1 A 16 16 GLN CB C 16 29.071 32.471 -3.400 1
1 204 . 3 1 1 A 16 16 GLN C C 16 173.863 174.124 -0.261 1
1 205 . 3 1 1 A 17 17 GLU N N 17 123.063 120.419 2.644 1
1 206 . 3 1 1 A 17 17 GLU H H 17 7.979 8.101 -0.122 1
1 207 . 3 1 1 A 17 17 GLU CA C 17 55.935 55.442 0.493 1
1 208 . 3 1 1 A 17 17 GLU HA H 17 4.182 4.754 -0.572 1
1 209 . 3 1 1 A 17 17 GLU CB C 17 28.948 31.111 -2.163 1
1 215 . 3 1 1 A 17 17 GLU C C 17 175.899 176.618 -0.719 1
1 216 . 3 1 1 A 18 18 LYS N N 18 120.853 119.837 1.016 1
1 217 . 3 1 1 A 18 18 LYS H H 18 8.771 8.805 -0.034 1
1 218 . 3 1 1 A 18 18 LYS CA C 18 55.393 56.508 -1.115 1
1 219 . 3 1 1 A 18 18 LYS HA H 18 4.390 4.599 -0.209 1
1 220 . 3 1 1 A 18 18 LYS CB C 18 33.393 34.210 -0.817 1
1 232 . 3 1 1 A 18 18 LYS C C 18 176.138 176.339 -0.201 1
1 233 . 3 1 1 A 19 19 SER N N 19 115.089 115.313 -0.224 1
1 234 . 3 1 1 A 19 19 SER H H 19 7.658 8.016 -0.358 1
1 235 . 3 1 1 A 19 19 SER CA C 19 56.821 55.928 0.893 1
1 236 . 3 1 1 A 19 19 SER HA H 19 4.863 4.857 0.006 1
1 237 . 3 1 1 A 19 19 SER CB C 19 64.208 64.608 -0.400 1
1 241 . 3 1 1 A 20 20 PRO CA C 20 64.803 64.330 0.473 1
1 242 . 3 1 1 A 20 20 PRO HA H 20 4.521 4.515 0.006 1
1 243 . 3 1 1 A 20 20 PRO CB C 20 31.657 31.724 -0.067 1
1 251 . 3 1 1 A 20 20 PRO C C 20 176.657 177.878 -1.221 1
1 252 . 3 1 1 A 21 21 ARG N N 21 113.827 117.268 -3.441 1
1 253 . 3 1 1 A 21 21 ARG H H 21 7.694 8.227 -0.533 1
1 254 . 3 1 1 A 21 21 ARG CA C 21 56.119 58.304 -2.185 1
1 255 . 3 1 1 A 21 21 ARG HA H 21 4.593 4.370 0.223 1
1 256 . 3 1 1 A 21 21 ARG CB C 21 30.299 30.592 -0.293 1
1 265 . 3 1 1 A 21 21 ARG C C 21 173.386 177.086 -3.700 1
1 266 . 3 1 1 A 22 22 GLU N N 22 121.389 118.545 2.844 1
1 267 . 3 1 1 A 22 22 GLU H H 22 7.850 7.738 0.112 1
1 268 . 3 1 1 A 22 22 GLU CA C 22 54.951 55.819 -0.868 1
1 269 . 3 1 1 A 22 22 GLU HA H 22 5.487 4.744 0.743 1
1 270 . 3 1 1 A 22 22 GLU CB C 22 33.588 31.048 2.540 1
1 276 . 3 1 1 A 22 22 GLU C C 22 174.491 175.916 -1.425 1
1 277 . 3 1 1 A 23 23 VAL N N 23 113.069 118.195 -5.126 1
1 278 . 3 1 1 A 23 23 VAL H H 23 7.410 8.772 -1.362 1
1 279 . 3 1 1 A 23 23 VAL CA C 23 59.793 59.618 0.175 1
1 280 . 3 1 1 A 23 23 VAL HA H 23 4.531 4.832 -0.301 1
1 281 . 3 1 1 A 23 23 VAL CB C 23 34.667 35.396 -0.729 1
1 291 . 3 1 1 A 23 23 VAL C C 23 172.541 174.326 -1.785 1
1 292 . 3 1 1 A 24 24 THR N N 24 118.283 120.357 -2.074 1
1 293 . 3 1 1 A 24 24 THR H H 24 7.362 8.781 -1.419 1
1 294 . 3 1 1 A 24 24 THR CA C 24 61.708 62.810 -1.102 1
1 295 . 3 1 1 A 24 24 THR HA H 24 5.085 4.678 0.407 1
1 296 . 3 1 1 A 24 24 THR CB C 24 70.934 69.126 1.808 1
1 302 . 3 1 1 A 24 24 THR C C 24 174.274 174.461 -0.187 1
1 303 . 3 1 1 A 25 25 MET N N 25 121.971 123.823 -1.852 1
1 304 . 3 1 1 A 25 25 MET H H 25 9.523 9.294 0.229 1
1 305 . 3 1 1 A 25 25 MET CA C 25 54.328 53.091 1.237 1
1 306 . 3 1 1 A 25 25 MET HA H 25 4.929 5.561 -0.632 1
1 307 . 3 1 1 A 25 25 MET CB C 25 36.287 36.150 0.137 1
1 317 . 3 1 1 A 25 25 MET C C 25 173.841 174.809 -0.968 1
1 318 . 3 1 1 A 26 26 LYS N N 26 124.399 117.976 6.423 1
1 319 . 3 1 1 A 26 26 LYS H H 26 8.820 8.990 -0.170 1
1 320 . 3 1 1 A 26 26 LYS CA C 26 53.699 54.407 -0.708 1
1 321 . 3 1 1 A 26 26 LYS HA H 26 4.879 5.075 -0.196 1
1 322 . 3 1 1 A 26 26 LYS CB C 26 34.097 36.273 -2.176 1
1 332 . 3 1 1 A 26 26 LYS C C 26 174.968 175.328 -0.360 1
1 333 . 3 1 1 A 27 27 LYS N N 27 122.619 119.416 3.203 1
1 334 . 3 1 1 A 27 27 LYS H H 27 9.013 8.600 0.413 1
1 335 . 3 1 1 A 27 27 LYS CA C 27 58.078 57.085 0.993 1
1 336 . 3 1 1 A 27 27 LYS HA H 27 4.837 4.431 0.406 1
1 337 . 3 1 1 A 27 27 LYS CB C 27 32.269 31.972 0.297 1
1 349 . 3 1 1 A 27 27 LYS C C 27 177.307 177.018 0.289 1
1 350 . 3 1 1 A 28 28 GLY N N 28 115.785 113.317 2.468 1
1 351 . 3 1 1 A 28 28 GLY H H 28 8.902 9.047 -0.145 1
1 352 . 3 1 1 A 28 28 GLY CA C 28 44.564 45.118 -0.554 1
1 353 . 3 1 1 A 28 28 GLY HA2 H 28 3.538 4.037 -0.499 1
1 354 . 3 1 1 A 28 28 GLY HA3 H 28 4.481 4.040 0.441 1
1 355 . 3 1 1 A 28 28 GLY C C 28 174.014 174.076 -0.062 1
1 356 . 3 1 1 A 29 29 ASP N N 29 122.243 121.330 0.913 1
1 357 . 3 1 1 A 29 29 ASP H H 29 8.511 8.338 0.173 1
1 358 . 3 1 1 A 29 29 ASP CA C 29 55.353 54.246 1.107 1
1 359 . 3 1 1 A 29 29 ASP HA H 29 4.523 4.721 -0.198 1
1 360 . 3 1 1 A 29 29 ASP CB C 29 41.146 42.439 -1.293 1
1 363 . 3 1 1 A 29 29 ASP C C 29 174.274 175.942 -1.668 1
1 364 . 3 1 1 A 30 30 ILE N N 30 120.587 122.959 -2.372 1
1 365 . 3 1 1 A 30 30 ILE H H 30 8.227 8.405 -0.178 1
1 366 . 3 1 1 A 30 30 ILE CA C 30 60.366 60.486 -0.120 1
1 367 . 3 1 1 A 30 30 ILE HA H 30 5.036 5.261 -0.225 1
1 368 . 3 1 1 A 30 30 ILE CB C 30 38.210 41.813 -3.603 1
1 381 . 3 1 1 A 30 30 ILE C C 30 176.246 174.669 1.577 1
1 382 . 3 1 1 A 31 31 LEU N N 31 128.265 126.679 1.586 1
1 383 . 3 1 1 A 31 31 LEU H H 31 9.353 8.914 0.439 1
1 384 . 3 1 1 A 31 31 LEU CA C 31 53.414 53.302 0.112 1
1 385 . 3 1 1 A 31 31 LEU HA H 31 5.010 4.982 0.028 1
1 386 . 3 1 1 A 31 31 LEU CB C 31 43.893 45.551 -1.658 1
1 397 . 3 1 1 A 31 31 LEU C C 31 175.596 175.519 0.077 1
1 398 . 3 1 1 A 32 32 THR N N 32 117.027 117.825 -0.798 1
1 399 . 3 1 1 A 32 32 THR H H 32 8.146 8.597 -0.451 1
1 400 . 3 1 1 A 32 32 THR CA C 32 63.046 62.026 1.020 1
1 401 . 3 1 1 A 32 32 THR HA H 32 4.629 4.722 -0.093 1
1 402 . 3 1 1 A 32 32 THR CB C 32 69.576 69.089 0.487 1
1 408 . 3 1 1 A 32 32 THR C C 32 173.559 174.832 -1.273 1
1 409 . 3 1 1 A 33 33 LEU N N 33 129.212 129.142 0.070 1
1 410 . 3 1 1 A 33 33 LEU H H 33 9.070 8.378 0.692 1
1 411 . 3 1 1 A 33 33 LEU CA C 33 54.894 56.237 -1.343 1
1 412 . 3 1 1 A 33 33 LEU HA H 33 4.351 4.311 0.040 1
1 413 . 3 1 1 A 33 33 LEU CB C 33 43.191 42.013 1.178 1
1 426 . 3 1 1 A 33 33 LEU C C 33 174.513 176.673 -2.160 1
1 427 . 3 1 1 A 34 34 LEU N N 34 125.818 129.924 -4.106 1
1 428 . 3 1 1 A 34 34 LEU H H 34 9.060 9.166 -0.106 1
1 429 . 3 1 1 A 34 34 LEU CA C 34 54.885 55.594 -0.709 1
1 430 . 3 1 1 A 34 34 LEU HA H 34 4.523 4.476 0.047 1
1 431 . 3 1 1 A 34 34 LEU CB C 34 42.990 43.160 -0.170 1
1 443 . 3 1 1 A 34 34 LEU C C 34 177.502 175.898 1.604 1
1 444 . 3 1 1 A 35 35 ASN N N 35 114.008 117.092 -3.084 1
1 445 . 3 1 1 A 35 35 ASN H H 35 7.617 8.195 -0.578 1
1 446 . 3 1 1 A 35 35 ASN CA C 35 54.502 53.015 1.487 1
1 447 . 3 1 1 A 35 35 ASN HA H 35 4.736 4.950 -0.214 1
1 448 . 3 1 1 A 35 35 ASN CB C 35 40.933 40.584 0.349 1
1 454 . 3 1 1 A 35 35 ASN C C 35 174.318 174.142 0.176 1
1 455 . 3 1 1 A 36 36 SER N N 36 123.608 117.811 5.797 1
1 456 . 3 1 1 A 36 36 SER H H 36 9.172 8.361 0.811 1
1 457 . 3 1 1 A 36 36 SER CA C 36 56.915 56.958 -0.043 1
1 458 . 3 1 1 A 36 36 SER HA H 36 3.940 4.448 -0.508 1
1 459 . 3 1 1 A 36 36 SER CB C 36 62.042 62.282 -0.240 1
1 462 . 3 1 1 A 36 36 SER C C 36 173.364 175.313 -1.949 1
1 463 . 3 1 1 A 37 37 THR N N 37 115.130 115.690 -0.560 1
1 464 . 3 1 1 A 37 37 THR H H 37 8.184 7.687 0.497 1
1 465 . 3 1 1 A 37 37 THR CA C 37 65.381 65.285 0.096 1
1 466 . 3 1 1 A 37 37 THR HA H 37 3.980 4.051 -0.071 1
1 467 . 3 1 1 A 37 37 THR CB C 37 69.489 68.960 0.529 1
1 473 . 3 1 1 A 37 37 THR C C 37 175.249 174.496 0.753 1
1 474 . 3 1 1 A 38 38 ASN N N 38 122.469 117.971 4.498 1
1 475 . 3 1 1 A 38 38 ASN H H 38 8.681 8.356 0.325 1
1 476 . 3 1 1 A 38 38 ASN CA C 38 53.337 51.981 1.356 1
1 477 . 3 1 1 A 38 38 ASN HA H 38 4.867 5.155 -0.288 1
1 478 . 3 1 1 A 38 38 ASN CB C 38 40.376 40.068 0.308 1
1 484 . 3 1 1 A 38 38 ASN C C 38 174.599 175.474 -0.875 1
1 485 . 3 1 1 A 39 39 LYS N N 39 120.915 119.647 1.268 1
1 486 . 3 1 1 A 39 39 LYS H H 39 8.516 8.587 -0.071 1
1 487 . 3 1 1 A 39 39 LYS CA C 39 58.333 57.489 0.844 1
1 488 . 3 1 1 A 39 39 LYS HA H 39 4.247 4.695 -0.448 1
1 489 . 3 1 1 A 39 39 LYS CB C 39 32.371 33.855 -1.484 1
1 499 . 3 1 1 A 39 39 LYS C C 39 176.268 177.624 -1.356 1
1 500 . 3 1 1 A 40 40 ASP N N 40 114.512 117.299 -2.787 1
1 501 . 3 1 1 A 40 40 ASP H H 40 8.210 7.810 0.400 1
1 502 . 3 1 1 A 40 40 ASP CA C 40 55.083 55.678 -0.595 1
1 503 . 3 1 1 A 40 40 ASP HA H 40 4.544 4.381 0.163 1
1 504 . 3 1 1 A 40 40 ASP CB C 40 43.014 42.175 0.839 1
1 507 . 3 1 1 A 40 40 ASP C C 40 176.852 175.446 1.406 1
1 508 . 3 1 1 A 41 41 TRP N N 41 122.703 116.329 6.374 1
1 509 . 3 1 1 A 41 41 TRP H H 41 8.212 8.052 0.160 1
1 510 . 3 1 1 A 41 41 TRP CA C 41 56.005 55.719 0.286 1
1 511 . 3 1 1 A 41 41 TRP HA H 41 5.078 5.215 -0.137 1
1 512 . 3 1 1 A 41 41 TRP CB C 41 32.019 30.859 1.160 1
1 527 . 3 1 1 A 41 41 TRP C C 41 174.166 175.671 -1.505 1
1 528 . 3 1 1 A 42 42 TRP N N 42 124.905 124.324 0.581 1
1 529 . 3 1 1 A 42 42 TRP H H 42 9.380 9.595 -0.215 1
1 530 . 3 1 1 A 42 42 TRP CA C 42 53.861 55.362 -1.501 1
1 531 . 3 1 1 A 42 42 TRP HA H 42 5.523 5.222 0.301 1
1 532 . 3 1 1 A 42 42 TRP CB C 42 31.543 31.943 -0.400 1
1 547 . 3 1 1 A 42 42 TRP C C 42 174.144 176.018 -1.874 1
1 548 . 3 1 1 A 43 43 LYS N N 43 124.120 123.719 0.401 1
1 549 . 3 1 1 A 43 43 LYS H H 43 8.896 9.363 -0.467 1
1 550 . 3 1 1 A 43 43 LYS CA C 43 55.231 55.722 -0.491 1
1 551 . 3 1 1 A 43 43 LYS HA H 43 4.396 4.570 -0.174 1
1 552 . 3 1 1 A 43 43 LYS CB C 43 34.366 32.866 1.500 1
1 564 . 3 1 1 A 43 43 LYS C C 43 175.423 176.018 -0.595 1
1 565 . 3 1 1 A 44 44 VAL N N 44 121.984 118.006 3.978 1
1 566 . 3 1 1 A 44 44 VAL H H 44 9.430 8.926 0.504 1
1 567 . 3 1 1 A 44 44 VAL CA C 44 58.751 58.704 0.047 1
1 568 . 3 1 1 A 44 44 VAL HA H 44 5.375 5.060 0.315 1
1 569 . 3 1 1 A 44 44 VAL CB C 44 36.378 35.180 1.198 1
1 579 . 3 1 1 A 44 44 VAL C C 44 173.234 173.464 -0.230 1
1 580 . 3 1 1 A 45 45 GLU N N 45 118.425 122.324 -3.899 1
1 581 . 3 1 1 A 45 45 GLU H H 45 8.757 9.163 -0.406 1
1 582 . 3 1 1 A 45 45 GLU CA C 45 54.139 54.872 -0.733 1
1 583 . 3 1 1 A 45 45 GLU HA H 45 5.423 5.402 0.021 1
1 584 . 3 1 1 A 45 45 GLU CB C 45 32.891 32.854 0.037 1
1 590 . 3 1 1 A 45 45 GLU C C 45 174.621 175.742 -1.121 1
1 591 . 3 1 1 A 46 46 VAL N N 46 123.694 121.103 2.591 1
1 592 . 3 1 1 A 46 46 VAL H H 46 9.089 9.031 0.058 1
1 593 . 3 1 1 A 46 46 VAL CA C 46 59.627 59.618 0.009 1
1 594 . 3 1 1 A 46 46 VAL HA H 46 4.669 5.081 -0.412 1
1 595 . 3 1 1 A 46 46 VAL CB C 46 35.290 35.034 0.256 1
1 604 . 3 1 1 A 46 46 VAL C C 46 173.234 173.750 -0.516 1
1 605 . 3 1 1 A 47 47 LYS N N 47 124.893 121.368 3.525 1
1 606 . 3 1 1 A 47 47 LYS H H 47 8.455 8.676 -0.221 1
1 607 . 3 1 1 A 47 47 LYS CA C 47 55.404 54.715 0.689 1
1 608 . 3 1 1 A 47 47 LYS HA H 47 5.022 5.484 -0.462 1
1 609 . 3 1 1 A 47 47 LYS CB C 47 33.959 35.638 -1.679 1
1 619 . 3 1 1 A 47 47 LYS C C 47 175.899 174.576 1.323 1
1 620 . 3 1 1 A 48 48 ILE N N 48 124.447 127.465 -3.018 1
1 621 . 3 1 1 A 48 48 ILE H H 48 8.989 9.538 -0.549 1
1 622 . 3 1 1 A 48 48 ILE CA C 48 59.646 60.057 -0.411 1
1 623 . 3 1 1 A 48 48 ILE HA H 48 4.529 4.957 -0.428 1
1 624 . 3 1 1 A 48 48 ILE CB C 48 41.170 40.101 1.069 1
1 637 . 3 1 1 A 48 48 ILE C C 48 174.144 174.749 -0.605 1
1 638 . 3 1 1 A 49 49 THR N N 49 121.012 123.150 -2.138 1
1 639 . 3 1 1 A 49 49 THR H H 49 8.570 8.939 -0.369 1
1 640 . 3 1 1 A 49 49 THR CA C 49 61.301 62.270 -0.969 1
1 641 . 3 1 1 A 49 49 THR HA H 49 5.272 4.996 0.276 1
1 642 . 3 1 1 A 49 49 THR CB C 49 69.853 69.185 0.668 1
1 648 . 3 1 1 A 49 49 THR C C 49 174.318 174.173 0.145 1
1 649 . 3 1 1 A 50 50 VAL N N 50 126.754 126.965 -0.211 1
1 650 . 3 1 1 A 50 50 VAL H H 50 9.104 9.327 -0.223 1
1 651 . 3 1 1 A 50 50 VAL CA C 50 61.070 61.441 -0.371 1
1 652 . 3 1 1 A 50 50 VAL HA H 50 4.292 4.525 -0.233 1
1 653 . 3 1 1 A 50 50 VAL CB C 50 34.452 34.649 -0.197 1
1 663 . 3 1 1 A 50 50 VAL C C 50 175.899 176.218 -0.319 1
1 664 . 3 1 1 A 51 51 ASN N N 51 127.590 127.345 0.245 1
1 665 . 3 1 1 A 51 51 ASN H H 51 9.619 9.472 0.147 1
1 666 . 3 1 1 A 51 51 ASN CA C 51 54.177 54.826 -0.649 1
1 667 . 3 1 1 A 51 51 ASN HA H 51 4.390 4.493 -0.103 1
1 668 . 3 1 1 A 51 51 ASN CB C 51 37.413 37.346 0.067 1
1 671 . 3 1 1 A 51 51 ASN C C 51 175.249 175.628 -0.379 1
1 672 . 3 1 1 A 52 52 GLY N N 52 102.845 103.699 -0.854 1
1 673 . 3 1 1 A 52 52 GLY H H 52 8.535 8.664 -0.129 1
1 674 . 3 1 1 A 52 52 GLY CA C 52 45.443 45.600 -0.157 1
1 675 . 3 1 1 A 52 52 GLY HA2 H 52 3.555 3.883 -0.328 1
1 676 . 3 1 1 A 52 52 GLY HA3 H 52 4.120 3.885 0.235 1
1 677 . 3 1 1 A 52 52 GLY C C 52 176.398 173.806 2.592 1
1 678 . 3 1 1 A 53 53 LYS N N 53 121.989 120.489 1.500 1
1 679 . 3 1 1 A 53 53 LYS H H 53 7.849 8.012 -0.163 1
1 680 . 3 1 1 A 53 53 LYS CA C 53 54.807 54.654 0.153 1
1 681 . 3 1 1 A 53 53 LYS HA H 53 4.641 4.462 0.179 1
1 682 . 3 1 1 A 53 53 LYS CB C 53 34.440 34.508 -0.068 1
1 694 . 3 1 1 A 53 53 LYS C C 53 174.513 175.659 -1.146 1
1 695 . 3 1 1 A 54 54 THR N N 54 118.860 117.266 1.594 1
1 696 . 3 1 1 A 54 54 THR H H 54 8.445 8.558 -0.113 1
1 697 . 3 1 1 A 54 54 THR CA C 54 62.074 61.591 0.483 1
1 698 . 3 1 1 A 54 54 THR HA H 54 5.167 4.433 0.734 1
1 699 . 3 1 1 A 54 54 THR CB C 54 70.071 69.666 0.405 1
1 705 . 3 1 1 A 54 54 THR C C 54 173.689 173.614 0.075 1
1 706 . 3 1 1 A 55 55 TYR N N 55 125.966 122.033 3.933 1
1 707 . 3 1 1 A 55 55 TYR H H 55 9.319 9.419 -0.100 1
1 708 . 3 1 1 A 55 55 TYR CA C 55 56.507 56.107 0.400 1
1 709 . 3 1 1 A 55 55 TYR HA H 55 4.767 5.085 -0.318 1
1 710 . 3 1 1 A 55 55 TYR CB C 55 40.591 42.441 -1.850 1
1 721 . 3 1 1 A 55 55 TYR C C 55 173.538 175.113 -1.575 1
1 722 . 3 1 1 A 56 56 GLU N N 56 119.827 121.374 -1.547 1
1 723 . 3 1 1 A 56 56 GLU H H 56 8.568 8.930 -0.362 1
1 724 . 3 1 1 A 56 56 GLU CA C 56 54.503 55.193 -0.690 1
1 725 . 3 1 1 A 56 56 GLU HA H 56 5.247 5.596 -0.349 1
1 726 . 3 1 1 A 56 56 GLU CB C 56 30.297 32.721 -2.424 1
1 732 . 3 1 1 A 56 56 GLU C C 56 175.726 176.045 -0.319 1
1 733 . 3 1 1 A 57 57 ARG N N 57 123.399 121.579 1.820 1
1 734 . 3 1 1 A 57 57 ARG H H 57 8.971 8.568 0.403 1
1 735 . 3 1 1 A 57 57 ARG CA C 57 54.944 54.089 0.855 1
1 736 . 3 1 1 A 57 57 ARG HA H 57 4.710 5.014 -0.304 1
1 737 . 3 1 1 A 57 57 ARG CB C 57 33.362 33.855 -0.493 1
1 746 . 3 1 1 A 57 57 ARG C C 57 174.166 174.585 -0.419 1
1 747 . 3 1 1 A 58 58 GLN N N 58 120.188 120.092 0.096 1
1 748 . 3 1 1 A 58 58 GLN H H 58 8.634 8.423 0.211 1
1 749 . 3 1 1 A 58 58 GLN CA C 58 53.251 54.891 -1.640 1
1 750 . 3 1 1 A 58 58 GLN HA H 58 5.602 4.898 0.704 1
1 751 . 3 1 1 A 58 58 GLN CB C 58 31.229 30.490 0.739 1
1 760 . 3 1 1 A 58 58 GLN C C 58 175.726 175.312 0.414 1
1 761 . 3 1 1 A 59 59 GLY N N 59 107.196 109.261 -2.065 1
1 762 . 3 1 1 A 59 59 GLY H H 59 8.644 8.908 -0.264 1
1 763 . 3 1 1 A 59 59 GLY CA C 59 45.583 44.372 1.211 1
1 764 . 3 1 1 A 59 59 GLY HA2 H 59 3.947 4.328 -0.381 1
1 765 . 3 1 1 A 59 59 GLY HA3 H 59 3.947 4.364 -0.417 1
1 766 . 3 1 1 A 59 59 GLY C C 59 170.223 171.845 -1.622 1
1 767 . 3 1 1 A 60 60 PHE N N 60 119.079 122.980 -3.901 1
1 768 . 3 1 1 A 60 60 PHE H H 60 9.178 8.685 0.493 1
1 769 . 3 1 1 A 60 60 PHE CA C 60 58.544 57.904 0.640 1
1 770 . 3 1 1 A 60 60 PHE HA H 60 5.668 5.212 0.456 1
1 771 . 3 1 1 A 60 60 PHE CB C 60 42.484 40.376 2.108 1
1 784 . 3 1 1 A 60 60 PHE C C 60 175.423 175.949 -0.526 1
1 785 . 3 1 1 A 61 61 VAL N N 61 111.060 117.498 -6.438 1
1 786 . 3 1 1 A 61 61 VAL H H 61 9.089 8.923 0.166 1
1 787 . 3 1 1 A 61 61 VAL CA C 61 58.189 58.187 0.002 1
1 788 . 3 1 1 A 61 61 VAL HA H 61 4.833 4.942 -0.109 1
1 789 . 3 1 1 A 61 61 VAL CB C 61 33.744 34.472 -0.728 1
1 800 . 3 1 1 A 62 62 PRO CA C 62 61.852 62.113 -0.261 1
1 801 . 3 1 1 A 62 62 PRO HA H 62 3.572 4.506 -0.934 1
1 802 . 3 1 1 A 62 62 PRO CB C 62 29.704 30.915 -1.211 1
1 810 . 3 1 1 A 62 62 PRO C C 62 177.719 177.446 0.273 1
1 811 . 3 1 1 A 63 63 ALA N N 63 129.142 128.689 0.453 1
1 812 . 3 1 1 A 63 63 ALA H H 63 7.477 8.405 -0.928 1
1 813 . 3 1 1 A 63 63 ALA CA C 63 54.472 54.541 -0.069 1
1 814 . 3 1 1 A 63 63 ALA HA H 63 2.655 3.588 -0.933 1
1 818 . 3 1 1 A 63 63 ALA CB C 63 15.740 16.685 -0.945 1
1 819 . 3 1 1 A 63 63 ALA C C 63 178.434 179.797 -1.363 1
1 820 . 3 1 1 A 64 64 ALA N N 64 113.410 119.337 -5.927 1
1 821 . 3 1 1 A 64 64 ALA H H 64 7.857 8.156 -0.299 1
1 822 . 3 1 1 A 64 64 ALA CA C 64 52.991 54.338 -1.347 1
1 823 . 3 1 1 A 64 64 ALA HA H 64 4.006 3.961 0.045 1
1 827 . 3 1 1 A 64 64 ALA CB C 64 17.605 18.181 -0.576 1
1 828 . 3 1 1 A 64 64 ALA C C 64 178.109 178.087 0.022 1
1 829 . 3 1 1 A 65 65 TYR N N 65 116.059 116.460 -0.401 1
1 830 . 3 1 1 A 65 65 TYR H H 65 7.705 7.812 -0.107 1
1 831 . 3 1 1 A 65 65 TYR CA C 65 56.477 58.965 -2.488 1
1 832 . 3 1 1 A 65 65 TYR HA H 65 4.758 4.513 0.245 1
1 833 . 3 1 1 A 65 65 TYR CB C 65 37.765 39.024 -1.259 1
1 844 . 3 1 1 A 65 65 TYR C C 65 174.361 175.688 -1.327 1
1 845 . 3 1 1 A 66 66 VAL N N 66 111.003 114.621 -3.618 1
1 846 . 3 1 1 A 66 66 VAL H H 66 7.422 7.447 -0.025 1
1 847 . 3 1 1 A 66 66 VAL CA C 66 58.268 59.271 -1.003 1
1 848 . 3 1 1 A 66 66 VAL HA H 66 5.547 4.903 0.644 1
1 849 . 3 1 1 A 66 66 VAL CB C 66 35.809 35.612 0.197 1
1 859 . 3 1 1 A 66 66 VAL C C 66 173.538 174.170 -0.632 1
1 860 . 3 1 1 A 67 67 LYS N N 67 118.514 118.417 0.097 1
1 861 . 3 1 1 A 67 67 LYS H H 67 8.636 8.985 -0.349 1
1 862 . 3 1 1 A 67 67 LYS CA C 67 53.828 54.702 -0.874 1
1 863 . 3 1 1 A 67 67 LYS HA H 67 4.840 5.092 -0.252 1
1 864 . 3 1 1 A 67 67 LYS CB C 67 36.636 35.910 0.726 1
1 876 . 3 1 1 A 67 67 LYS C C 67 176.029 174.465 1.564 1
1 877 . 3 1 1 A 68 68 LYS N N 68 125.817 123.603 2.214 1
1 878 . 3 1 1 A 68 68 LYS H H 68 9.246 8.714 0.532 1
1 879 . 3 1 1 A 68 68 LYS CA C 68 58.514 57.066 1.448 1
1 880 . 3 1 1 A 68 68 LYS HA H 68 4.494 4.280 0.214 1
1 881 . 3 1 1 A 68 68 LYS CB C 68 32.893 32.927 -0.034 1
1 891 . 3 1 1 A 68 68 LYS C C 68 176.679 177.822 -1.143 1
1 892 . 3 1 1 A 69 69 LEU N N 69 125.294 129.125 -3.831 1
1 893 . 3 1 1 A 69 69 LEU H H 69 8.506 8.689 -0.183 1
1 894 . 3 1 1 A 69 69 LEU CA C 69 54.873 57.690 -2.817 1
1 895 . 3 1 1 A 69 69 LEU HA H 69 4.429 4.112 0.317 1
1 896 . 3 1 1 A 69 69 LEU CB C 69 42.631 42.328 0.303 1
1 909 . 3 1 1 A 69 69 LEU C C 69 176.203 176.171 0.032 1
1 10 . 4 1 1 A 2 2 ASP N N 2 123.392 118.805 4.587 1
1 11 . 4 1 1 A 2 2 ASP H H 2 8.830 7.892 0.938 1
1 12 . 4 1 1 A 2 2 ASP CA C 2 54.029 52.337 1.692 1
1 13 . 4 1 1 A 2 2 ASP HA H 2 4.699 4.909 -0.210 1
1 14 . 4 1 1 A 2 2 ASP CB C 2 40.198 41.342 -1.144 1
1 17 . 4 1 1 A 2 2 ASP C C 2 175.639 176.728 -1.089 1
1 18 . 4 1 1 A 3 3 GLU N N 3 121.824 124.227 -2.403 1
1 19 . 4 1 1 A 3 3 GLU H H 3 8.663 8.330 0.333 1
1 20 . 4 1 1 A 3 3 GLU CA C 3 56.162 59.280 -3.118 1
1 21 . 4 1 1 A 3 3 GLU HA H 3 4.406 4.009 0.397 1
1 22 . 4 1 1 A 3 3 GLU CB C 3 28.702 29.408 -0.706 1
1 28 . 4 1 1 A 3 3 GLU C C 3 176.354 178.231 -1.877 1
1 29 . 4 1 1 A 4 4 THR N N 4 114.607 107.593 7.014 1
1 30 . 4 1 1 A 4 4 THR H H 4 8.285 7.756 0.529 1
1 31 . 4 1 1 A 4 4 THR CA C 4 62.425 62.228 0.197 1
1 32 . 4 1 1 A 4 4 THR HA H 4 4.267 4.528 -0.261 1
1 33 . 4 1 1 A 4 4 THR CB C 4 69.672 71.623 -1.951 1
1 39 . 4 1 1 A 4 4 THR C C 4 175.271 175.945 -0.674 1
1 40 . 4 1 1 A 5 5 GLY N N 5 111.345 110.699 0.646 1
1 41 . 4 1 1 A 5 5 GLY H H 5 8.436 8.043 0.393 1
1 42 . 4 1 1 A 5 5 GLY CA C 5 45.297 46.642 -1.345 1
1 43 . 4 1 1 A 5 5 GLY HA2 H 5 3.942 3.909 0.033 1
1 44 . 4 1 1 A 5 5 GLY HA3 H 5 3.942 3.910 0.032 1
1 45 . 4 1 1 A 5 5 GLY C C 5 173.668 174.311 -0.643 1
1 46 . 4 1 1 A 6 6 LYS N N 6 119.783 117.246 2.537 1
1 47 . 4 1 1 A 6 6 LYS H H 6 8.017 7.652 0.365 1
1 48 . 4 1 1 A 6 6 LYS CA C 6 55.538 57.188 -1.650 1
1 49 . 4 1 1 A 6 6 LYS HA H 6 4.387 4.411 -0.024 1
1 50 . 4 1 1 A 6 6 LYS CB C 6 33.257 34.843 -1.586 1
1 62 . 4 1 1 A 6 6 LYS C C 6 176.029 176.191 -0.162 1
1 63 . 4 1 1 A 7 7 GLU N N 7 122.414 117.181 5.233 1
1 64 . 4 1 1 A 7 7 GLU H H 7 8.584 7.866 0.718 1
1 65 . 4 1 1 A 7 7 GLU CA C 7 55.404 55.357 0.047 1
1 66 . 4 1 1 A 7 7 GLU HA H 7 4.495 4.733 -0.238 1
1 67 . 4 1 1 A 7 7 GLU CB C 7 30.382 30.515 -0.133 1
1 73 . 4 1 1 A 7 7 GLU C C 7 174.014 174.866 -0.852 1
1 74 . 4 1 1 A 8 8 LEU N N 8 122.989 125.965 -2.976 1
1 75 . 4 1 1 A 8 8 LEU H H 8 8.414 8.812 -0.398 1
1 76 . 4 1 1 A 8 8 LEU CA C 8 53.188 53.810 -0.622 1
1 77 . 4 1 1 A 8 8 LEU HA H 8 5.381 5.025 0.356 1
1 78 . 4 1 1 A 8 8 LEU CB C 8 45.173 43.143 2.030 1
1 90 . 4 1 1 A 8 8 LEU C C 8 177.329 176.326 1.003 1
1 91 . 4 1 1 A 9 9 VAL N N 9 111.709 118.204 -6.495 1
1 92 . 4 1 1 A 9 9 VAL H H 9 9.125 9.071 0.054 1
1 93 . 4 1 1 A 9 9 VAL CA C 9 57.854 59.428 -1.574 1
1 94 . 4 1 1 A 9 9 VAL HA H 9 5.232 4.963 0.269 1
1 95 . 4 1 1 A 9 9 VAL CB C 9 35.864 35.631 0.233 1
1 105 . 4 1 1 A 9 9 VAL C C 9 172.368 173.877 -1.509 1
1 106 . 4 1 1 A 10 10 LEU N N 10 123.520 127.268 -3.748 1
1 107 . 4 1 1 A 10 10 LEU H H 10 8.989 9.064 -0.075 1
1 108 . 4 1 1 A 10 10 LEU CA C 10 52.445 53.328 -0.883 1
1 109 . 4 1 1 A 10 10 LEU HA H 10 5.113 5.246 -0.133 1
1 110 . 4 1 1 A 10 10 LEU CB C 10 46.776 44.932 1.844 1
1 123 . 4 1 1 A 10 10 LEU C C 10 176.549 174.991 1.558 1
1 124 . 4 1 1 A 11 11 ALA N N 11 127.272 128.304 -1.032 1
1 125 . 4 1 1 A 11 11 ALA H H 11 9.163 9.100 0.063 1
1 126 . 4 1 1 A 11 11 ALA CA C 11 52.416 51.254 1.162 1
1 127 . 4 1 1 A 11 11 ALA HA H 11 4.602 4.603 -0.001 1
1 131 . 4 1 1 A 11 11 ALA CB C 11 19.274 20.021 -0.747 1
1 132 . 4 1 1 A 11 11 ALA C C 11 178.282 176.980 1.302 1
1 133 . 4 1 1 A 12 12 LEU N N 12 127.769 125.134 2.635 1
1 134 . 4 1 1 A 12 12 LEU H H 12 9.257 9.148 0.109 1
1 135 . 4 1 1 A 12 12 LEU CA C 12 55.442 55.932 -0.490 1
1 136 . 4 1 1 A 12 12 LEU HA H 12 3.898 4.239 -0.341 1
1 137 . 4 1 1 A 12 12 LEU CB C 12 43.110 42.454 0.656 1
1 150 . 4 1 1 A 12 12 LEU C C 12 174.946 176.562 -1.616 1
1 151 . 4 1 1 A 13 13 TYR N N 13 111.673 115.484 -3.811 1
1 152 . 4 1 1 A 13 13 TYR H H 13 7.129 8.073 -0.944 1
1 153 . 4 1 1 A 13 13 TYR CA C 13 54.720 56.598 -1.878 1
1 154 . 4 1 1 A 13 13 TYR HA H 13 4.633 5.014 -0.381 1
1 155 . 4 1 1 A 13 13 TYR CB C 13 43.043 41.099 1.944 1
1 166 . 4 1 1 A 13 13 TYR C C 13 173.668 175.526 -1.858 1
1 167 . 4 1 1 A 14 14 ASP N N 14 117.814 121.784 -3.970 1
1 168 . 4 1 1 A 14 14 ASP H H 14 8.347 8.822 -0.475 1
1 169 . 4 1 1 A 14 14 ASP CA C 14 54.571 53.914 0.657 1
1 170 . 4 1 1 A 14 14 ASP HA H 14 4.633 4.896 -0.263 1
1 171 . 4 1 1 A 14 14 ASP CB C 14 41.136 41.600 -0.464 1
1 174 . 4 1 1 A 14 14 ASP C C 14 176.051 175.230 0.821 1
1 175 . 4 1 1 A 15 15 TYR N N 15 120.213 122.627 -2.414 1
1 176 . 4 1 1 A 15 15 TYR H H 15 8.748 9.081 -0.333 1
1 177 . 4 1 1 A 15 15 TYR CA C 15 59.454 57.598 1.856 1
1 178 . 4 1 1 A 15 15 TYR HA H 15 4.654 5.167 -0.513 1
1 179 . 4 1 1 A 15 15 TYR CB C 15 43.400 42.468 0.932 1
1 190 . 4 1 1 A 15 15 TYR C C 15 172.758 173.779 -1.021 1
1 191 . 4 1 1 A 16 16 GLN N N 16 126.986 124.043 2.943 1
1 192 . 4 1 1 A 16 16 GLN H H 16 7.558 8.143 -0.585 1
1 193 . 4 1 1 A 16 16 GLN CA C 16 53.534 53.712 -0.178 1
1 194 . 4 1 1 A 16 16 GLN HA H 16 4.500 5.024 -0.524 1
1 195 . 4 1 1 A 16 16 GLN CB C 16 29.071 32.343 -3.272 1
1 204 . 4 1 1 A 16 16 GLN C C 16 173.863 174.115 -0.252 1
1 205 . 4 1 1 A 17 17 GLU N N 17 123.063 120.597 2.466 1
1 206 . 4 1 1 A 17 17 GLU H H 17 7.979 8.283 -0.304 1
1 207 . 4 1 1 A 17 17 GLU CA C 17 55.935 55.736 0.199 1
1 208 . 4 1 1 A 17 17 GLU HA H 17 4.182 4.761 -0.579 1
1 209 . 4 1 1 A 17 17 GLU CB C 17 28.948 30.694 -1.746 1
1 215 . 4 1 1 A 17 17 GLU C C 17 175.899 176.634 -0.735 1
1 216 . 4 1 1 A 18 18 LYS N N 18 120.853 119.654 1.199 1
1 217 . 4 1 1 A 18 18 LYS H H 18 8.771 8.833 -0.062 1
1 218 . 4 1 1 A 18 18 LYS CA C 18 55.393 56.409 -1.016 1
1 219 . 4 1 1 A 18 18 LYS HA H 18 4.390 4.628 -0.238 1
1 220 . 4 1 1 A 18 18 LYS CB C 18 33.393 34.511 -1.118 1
1 232 . 4 1 1 A 18 18 LYS C C 18 176.138 176.197 -0.059 1
1 233 . 4 1 1 A 19 19 SER N N 19 115.089 115.604 -0.515 1
1 234 . 4 1 1 A 19 19 SER H H 19 7.658 7.978 -0.320 1
1 235 . 4 1 1 A 19 19 SER CA C 19 56.821 55.854 0.967 1
1 236 . 4 1 1 A 19 19 SER HA H 19 4.863 4.878 -0.015 1
1 237 . 4 1 1 A 19 19 SER CB C 19 64.208 64.901 -0.693 1
1 241 . 4 1 1 A 20 20 PRO CA C 20 64.803 64.323 0.480 1
1 242 . 4 1 1 A 20 20 PRO HA H 20 4.521 4.511 0.010 1
1 243 . 4 1 1 A 20 20 PRO CB C 20 31.657 31.730 -0.073 1
1 251 . 4 1 1 A 20 20 PRO C C 20 176.657 177.459 -0.802 1
1 252 . 4 1 1 A 21 21 ARG N N 21 113.827 116.836 -3.009 1
1 253 . 4 1 1 A 21 21 ARG H H 21 7.694 8.346 -0.652 1
1 254 . 4 1 1 A 21 21 ARG CA C 21 56.119 57.279 -1.160 1
1 255 . 4 1 1 A 21 21 ARG HA H 21 4.593 4.342 0.251 1
1 256 . 4 1 1 A 21 21 ARG CB C 21 30.299 31.311 -1.012 1
1 265 . 4 1 1 A 21 21 ARG C C 21 173.386 176.666 -3.280 1
1 266 . 4 1 1 A 22 22 GLU N N 22 121.389 117.930 3.459 1
1 267 . 4 1 1 A 22 22 GLU H H 22 7.850 7.548 0.302 1
1 268 . 4 1 1 A 22 22 GLU CA C 22 54.951 55.031 -0.080 1
1 269 . 4 1 1 A 22 22 GLU HA H 22 5.487 4.857 0.630 1
1 270 . 4 1 1 A 22 22 GLU CB C 22 33.588 31.404 2.184 1
1 276 . 4 1 1 A 22 22 GLU C C 22 174.491 175.880 -1.389 1
1 277 . 4 1 1 A 23 23 VAL N N 23 113.069 118.979 -5.910 1
1 278 . 4 1 1 A 23 23 VAL H H 23 7.410 8.838 -1.428 1
1 279 . 4 1 1 A 23 23 VAL CA C 23 59.793 60.163 -0.370 1
1 280 . 4 1 1 A 23 23 VAL HA H 23 4.531 5.126 -0.595 1
1 281 . 4 1 1 A 23 23 VAL CB C 23 34.667 34.608 0.059 1
1 291 . 4 1 1 A 23 23 VAL C C 23 172.541 174.727 -2.186 1
1 292 . 4 1 1 A 24 24 THR N N 24 118.283 116.860 1.423 1
1 293 . 4 1 1 A 24 24 THR H H 24 7.362 8.437 -1.075 1
1 294 . 4 1 1 A 24 24 THR CA C 24 61.708 61.781 -0.073 1
1 295 . 4 1 1 A 24 24 THR HA H 24 5.085 5.203 -0.118 1
1 296 . 4 1 1 A 24 24 THR CB C 24 70.934 70.223 0.711 1
1 302 . 4 1 1 A 24 24 THR C C 24 174.274 173.844 0.430 1
1 303 . 4 1 1 A 25 25 MET N N 25 121.971 124.069 -2.098 1
1 304 . 4 1 1 A 25 25 MET H H 25 9.523 9.433 0.090 1
1 305 . 4 1 1 A 25 25 MET CA C 25 54.328 53.441 0.887 1
1 306 . 4 1 1 A 25 25 MET HA H 25 4.929 5.714 -0.785 1
1 307 . 4 1 1 A 25 25 MET CB C 25 36.287 35.934 0.353 1
1 317 . 4 1 1 A 25 25 MET C C 25 173.841 174.730 -0.889 1
1 318 . 4 1 1 A 26 26 LYS N N 26 124.399 118.990 5.409 1
1 319 . 4 1 1 A 26 26 LYS H H 26 8.820 8.905 -0.085 1
1 320 . 4 1 1 A 26 26 LYS CA C 26 53.699 53.908 -0.209 1
1 321 . 4 1 1 A 26 26 LYS HA H 26 4.879 5.071 -0.192 1
1 322 . 4 1 1 A 26 26 LYS CB C 26 34.097 36.247 -2.150 1
1 332 . 4 1 1 A 26 26 LYS C C 26 174.968 175.350 -0.382 1
1 333 . 4 1 1 A 27 27 LYS N N 27 122.619 121.024 1.595 1
1 334 . 4 1 1 A 27 27 LYS H H 27 9.013 8.735 0.278 1
1 335 . 4 1 1 A 27 27 LYS CA C 27 58.078 59.034 -0.956 1
1 336 . 4 1 1 A 27 27 LYS HA H 27 4.837 3.768 1.069 1
1 337 . 4 1 1 A 27 27 LYS CB C 27 32.269 32.135 0.134 1
1 349 . 4 1 1 A 27 27 LYS C C 27 177.307 177.381 -0.074 1
1 350 . 4 1 1 A 28 28 GLY N N 28 115.785 112.531 3.254 1
1 351 . 4 1 1 A 28 28 GLY H H 28 8.902 9.233 -0.331 1
1 352 . 4 1 1 A 28 28 GLY CA C 28 44.564 45.030 -0.466 1
1 353 . 4 1 1 A 28 28 GLY HA2 H 28 3.538 4.001 -0.463 1
1 354 . 4 1 1 A 28 28 GLY HA3 H 28 4.481 4.004 0.477 1
1 355 . 4 1 1 A 28 28 GLY C C 28 174.014 174.015 -0.001 1
1 356 . 4 1 1 A 29 29 ASP N N 29 122.243 121.476 0.767 1
1 357 . 4 1 1 A 29 29 ASP H H 29 8.511 8.285 0.226 1
1 358 . 4 1 1 A 29 29 ASP CA C 29 55.353 54.459 0.894 1
1 359 . 4 1 1 A 29 29 ASP HA H 29 4.523 4.614 -0.091 1
1 360 . 4 1 1 A 29 29 ASP CB C 29 41.146 42.091 -0.945 1
1 363 . 4 1 1 A 29 29 ASP C C 29 174.274 175.678 -1.404 1
1 364 . 4 1 1 A 30 30 ILE N N 30 120.587 126.379 -5.792 1
1 365 . 4 1 1 A 30 30 ILE H H 30 8.227 8.595 -0.368 1
1 366 . 4 1 1 A 30 30 ILE CA C 30 60.366 60.259 0.107 1
1 367 . 4 1 1 A 30 30 ILE HA H 30 5.036 5.293 -0.257 1
1 368 . 4 1 1 A 30 30 ILE CB C 30 38.210 41.327 -3.117 1
1 381 . 4 1 1 A 30 30 ILE C C 30 176.246 174.621 1.625 1
1 382 . 4 1 1 A 31 31 LEU N N 31 128.265 126.897 1.368 1
1 383 . 4 1 1 A 31 31 LEU H H 31 9.353 9.028 0.325 1
1 384 . 4 1 1 A 31 31 LEU CA C 31 53.414 53.162 0.252 1
1 385 . 4 1 1 A 31 31 LEU HA H 31 5.010 5.003 0.007 1
1 386 . 4 1 1 A 31 31 LEU CB C 31 43.893 45.335 -1.442 1
1 397 . 4 1 1 A 31 31 LEU C C 31 175.596 175.609 -0.013 1
1 398 . 4 1 1 A 32 32 THR N N 32 117.027 117.712 -0.685 1
1 399 . 4 1 1 A 32 32 THR H H 32 8.146 8.583 -0.437 1
1 400 . 4 1 1 A 32 32 THR CA C 32 63.046 62.093 0.953 1
1 401 . 4 1 1 A 32 32 THR HA H 32 4.629 4.760 -0.131 1
1 402 . 4 1 1 A 32 32 THR CB C 32 69.576 69.113 0.463 1
1 408 . 4 1 1 A 32 32 THR C C 32 173.559 174.813 -1.254 1
1 409 . 4 1 1 A 33 33 LEU N N 33 129.212 128.930 0.282 1
1 410 . 4 1 1 A 33 33 LEU H H 33 9.070 8.449 0.621 1
1 411 . 4 1 1 A 33 33 LEU CA C 33 54.894 56.130 -1.236 1
1 412 . 4 1 1 A 33 33 LEU HA H 33 4.351 4.322 0.029 1
1 413 . 4 1 1 A 33 33 LEU CB C 33 43.191 42.291 0.900 1
1 426 . 4 1 1 A 33 33 LEU C C 33 174.513 176.565 -2.052 1
1 427 . 4 1 1 A 34 34 LEU N N 34 125.818 130.471 -4.653 1
1 428 . 4 1 1 A 34 34 LEU H H 34 9.060 9.036 0.024 1
1 429 . 4 1 1 A 34 34 LEU CA C 34 54.885 55.970 -1.085 1
1 430 . 4 1 1 A 34 34 LEU HA H 34 4.523 4.415 0.108 1
1 431 . 4 1 1 A 34 34 LEU CB C 34 42.990 43.196 -0.206 1
1 443 . 4 1 1 A 34 34 LEU C C 34 177.502 175.939 1.563 1
1 444 . 4 1 1 A 35 35 ASN N N 35 114.008 117.220 -3.212 1
1 445 . 4 1 1 A 35 35 ASN H H 35 7.617 7.977 -0.360 1
1 446 . 4 1 1 A 35 35 ASN CA C 35 54.502 52.409 2.093 1
1 447 . 4 1 1 A 35 35 ASN HA H 35 4.736 5.008 -0.272 1
1 448 . 4 1 1 A 35 35 ASN CB C 35 40.933 40.898 0.035 1
1 454 . 4 1 1 A 35 35 ASN C C 35 174.318 174.666 -0.348 1
1 455 . 4 1 1 A 36 36 SER N N 36 123.608 117.567 6.041 1
1 456 . 4 1 1 A 36 36 SER H H 36 9.172 8.366 0.806 1
1 457 . 4 1 1 A 36 36 SER CA C 36 56.915 57.004 -0.089 1
1 458 . 4 1 1 A 36 36 SER HA H 36 3.940 4.514 -0.574 1
1 459 . 4 1 1 A 36 36 SER CB C 36 62.042 62.372 -0.330 1
1 462 . 4 1 1 A 36 36 SER C C 36 173.364 175.349 -1.985 1
1 463 . 4 1 1 A 37 37 THR N N 37 115.130 115.743 -0.613 1
1 464 . 4 1 1 A 37 37 THR H H 37 8.184 7.697 0.487 1
1 465 . 4 1 1 A 37 37 THR CA C 37 65.381 65.495 -0.114 1
1 466 . 4 1 1 A 37 37 THR HA H 37 3.980 4.008 -0.028 1
1 467 . 4 1 1 A 37 37 THR CB C 37 69.489 69.197 0.292 1
1 473 . 4 1 1 A 37 37 THR C C 37 175.249 175.048 0.201 1
1 474 . 4 1 1 A 38 38 ASN N N 38 122.469 119.209 3.260 1
1 475 . 4 1 1 A 38 38 ASN H H 38 8.681 7.929 0.752 1
1 476 . 4 1 1 A 38 38 ASN CA C 38 53.337 52.725 0.612 1
1 477 . 4 1 1 A 38 38 ASN HA H 38 4.867 4.949 -0.082 1
1 478 . 4 1 1 A 38 38 ASN CB C 38 40.376 40.250 0.126 1
1 484 . 4 1 1 A 38 38 ASN C C 38 174.599 175.995 -1.396 1
1 485 . 4 1 1 A 39 39 LYS N N 39 120.915 121.144 -0.229 1
1 486 . 4 1 1 A 39 39 LYS H H 39 8.516 8.550 -0.034 1
1 487 . 4 1 1 A 39 39 LYS CA C 39 58.333 57.141 1.192 1
1 488 . 4 1 1 A 39 39 LYS HA H 39 4.247 4.779 -0.532 1
1 489 . 4 1 1 A 39 39 LYS CB C 39 32.371 34.190 -1.819 1
1 499 . 4 1 1 A 39 39 LYS C C 39 176.268 177.421 -1.153 1
1 500 . 4 1 1 A 40 40 ASP N N 40 114.512 117.475 -2.963 1
1 501 . 4 1 1 A 40 40 ASP H H 40 8.210 7.885 0.325 1
1 502 . 4 1 1 A 40 40 ASP CA C 40 55.083 55.653 -0.570 1
1 503 . 4 1 1 A 40 40 ASP HA H 40 4.544 4.396 0.148 1
1 504 . 4 1 1 A 40 40 ASP CB C 40 43.014 42.304 0.710 1
1 507 . 4 1 1 A 40 40 ASP C C 40 176.852 175.708 1.144 1
1 508 . 4 1 1 A 41 41 TRP N N 41 122.703 116.368 6.335 1
1 509 . 4 1 1 A 41 41 TRP H H 41 8.212 8.008 0.204 1
1 510 . 4 1 1 A 41 41 TRP CA C 41 56.005 56.092 -0.087 1
1 511 . 4 1 1 A 41 41 TRP HA H 41 5.078 5.242 -0.164 1
1 512 . 4 1 1 A 41 41 TRP CB C 41 32.019 30.196 1.823 1
1 527 . 4 1 1 A 41 41 TRP C C 41 174.166 175.730 -1.564 1
1 528 . 4 1 1 A 42 42 TRP N N 42 124.905 124.832 0.073 1
1 529 . 4 1 1 A 42 42 TRP H H 42 9.380 9.405 -0.025 1
1 530 . 4 1 1 A 42 42 TRP CA C 42 53.861 55.880 -2.019 1
1 531 . 4 1 1 A 42 42 TRP HA H 42 5.523 5.195 0.328 1
1 532 . 4 1 1 A 42 42 TRP CB C 42 31.543 31.109 0.434 1
1 547 . 4 1 1 A 42 42 TRP C C 42 174.144 176.083 -1.939 1
1 548 . 4 1 1 A 43 43 LYS N N 43 124.120 123.628 0.492 1
1 549 . 4 1 1 A 43 43 LYS H H 43 8.896 9.296 -0.400 1
1 550 . 4 1 1 A 43 43 LYS CA C 43 55.231 55.908 -0.677 1
1 551 . 4 1 1 A 43 43 LYS HA H 43 4.396 4.768 -0.372 1
1 552 . 4 1 1 A 43 43 LYS CB C 43 34.366 33.328 1.038 1
1 564 . 4 1 1 A 43 43 LYS C C 43 175.423 176.227 -0.804 1
1 565 . 4 1 1 A 44 44 VAL N N 44 121.984 117.713 4.271 1
1 566 . 4 1 1 A 44 44 VAL H H 44 9.430 8.891 0.539 1
1 567 . 4 1 1 A 44 44 VAL CA C 44 58.751 58.719 0.032 1
1 568 . 4 1 1 A 44 44 VAL HA H 44 5.375 5.085 0.290 1
1 569 . 4 1 1 A 44 44 VAL CB C 44 36.378 35.635 0.743 1
1 579 . 4 1 1 A 44 44 VAL C C 44 173.234 173.394 -0.160 1
1 580 . 4 1 1 A 45 45 GLU N N 45 118.425 122.493 -4.068 1
1 581 . 4 1 1 A 45 45 GLU H H 45 8.757 9.310 -0.553 1
1 582 . 4 1 1 A 45 45 GLU CA C 45 54.139 54.822 -0.683 1
1 583 . 4 1 1 A 45 45 GLU HA H 45 5.423 5.324 0.099 1
1 584 . 4 1 1 A 45 45 GLU CB C 45 32.891 32.734 0.157 1
1 590 . 4 1 1 A 45 45 GLU C C 45 174.621 175.553 -0.932 1
1 591 . 4 1 1 A 46 46 VAL N N 46 123.694 120.724 2.970 1
1 592 . 4 1 1 A 46 46 VAL H H 46 9.089 9.089 0.000 1
1 593 . 4 1 1 A 46 46 VAL CA C 46 59.627 58.935 0.692 1
1 594 . 4 1 1 A 46 46 VAL HA H 46 4.669 5.107 -0.438 1
1 595 . 4 1 1 A 46 46 VAL CB C 46 35.290 35.625 -0.335 1
1 604 . 4 1 1 A 46 46 VAL C C 46 173.234 173.476 -0.242 1
1 605 . 4 1 1 A 47 47 LYS N N 47 124.893 121.869 3.024 1
1 606 . 4 1 1 A 47 47 LYS H H 47 8.455 8.790 -0.335 1
1 607 . 4 1 1 A 47 47 LYS CA C 47 55.404 54.623 0.781 1
1 608 . 4 1 1 A 47 47 LYS HA H 47 5.022 5.296 -0.274 1
1 609 . 4 1 1 A 47 47 LYS CB C 47 33.959 35.355 -1.396 1
1 619 . 4 1 1 A 47 47 LYS C C 47 175.899 174.947 0.952 1
1 620 . 4 1 1 A 48 48 ILE N N 48 124.447 127.442 -2.995 1
1 621 . 4 1 1 A 48 48 ILE H H 48 8.989 9.134 -0.145 1
1 622 . 4 1 1 A 48 48 ILE CA C 48 59.646 59.973 -0.327 1
1 623 . 4 1 1 A 48 48 ILE HA H 48 4.529 4.794 -0.265 1
1 624 . 4 1 1 A 48 48 ILE CB C 48 41.170 39.712 1.458 1
1 637 . 4 1 1 A 48 48 ILE C C 48 174.144 174.623 -0.479 1
1 638 . 4 1 1 A 49 49 THR N N 49 121.012 122.838 -1.826 1
1 639 . 4 1 1 A 49 49 THR H H 49 8.570 8.896 -0.326 1
1 640 . 4 1 1 A 49 49 THR CA C 49 61.301 62.260 -0.959 1
1 641 . 4 1 1 A 49 49 THR HA H 49 5.272 4.818 0.454 1
1 642 . 4 1 1 A 49 49 THR CB C 49 69.853 68.951 0.902 1
1 648 . 4 1 1 A 49 49 THR C C 49 174.318 174.068 0.250 1
1 649 . 4 1 1 A 50 50 VAL N N 50 126.754 126.813 -0.059 1
1 650 . 4 1 1 A 50 50 VAL H H 50 9.104 9.244 -0.140 1
1 651 . 4 1 1 A 50 50 VAL CA C 50 61.070 61.422 -0.352 1
1 652 . 4 1 1 A 50 50 VAL HA H 50 4.292 4.552 -0.260 1
1 653 . 4 1 1 A 50 50 VAL CB C 50 34.452 34.036 0.416 1
1 663 . 4 1 1 A 50 50 VAL C C 50 175.899 176.161 -0.262 1
1 664 . 4 1 1 A 51 51 ASN N N 51 127.590 127.765 -0.175 1
1 665 . 4 1 1 A 51 51 ASN H H 51 9.619 9.535 0.084 1
1 666 . 4 1 1 A 51 51 ASN CA C 51 54.177 54.644 -0.467 1
1 667 . 4 1 1 A 51 51 ASN HA H 51 4.390 4.487 -0.097 1
1 668 . 4 1 1 A 51 51 ASN CB C 51 37.413 37.486 -0.073 1
1 671 . 4 1 1 A 51 51 ASN C C 51 175.249 175.627 -0.378 1
1 672 . 4 1 1 A 52 52 GLY N N 52 102.845 103.456 -0.611 1
1 673 . 4 1 1 A 52 52 GLY H H 52 8.535 8.641 -0.106 1
1 674 . 4 1 1 A 52 52 GLY CA C 52 45.443 45.826 -0.383 1
1 675 . 4 1 1 A 52 52 GLY HA2 H 52 3.555 3.863 -0.308 1
1 676 . 4 1 1 A 52 52 GLY HA3 H 52 4.120 3.865 0.255 1
1 677 . 4 1 1 A 52 52 GLY C C 52 176.398 173.859 2.539 1
1 678 . 4 1 1 A 53 53 LYS N N 53 121.989 120.561 1.428 1
1 679 . 4 1 1 A 53 53 LYS H H 53 7.849 8.050 -0.201 1
1 680 . 4 1 1 A 53 53 LYS CA C 53 54.807 54.917 -0.110 1
1 681 . 4 1 1 A 53 53 LYS HA H 53 4.641 4.445 0.196 1
1 682 . 4 1 1 A 53 53 LYS CB C 53 34.440 34.226 0.214 1
1 694 . 4 1 1 A 53 53 LYS C C 53 174.513 175.707 -1.194 1
1 695 . 4 1 1 A 54 54 THR N N 54 118.860 117.376 1.484 1
1 696 . 4 1 1 A 54 54 THR H H 54 8.445 8.560 -0.115 1
1 697 . 4 1 1 A 54 54 THR CA C 54 62.074 61.680 0.394 1
1 698 . 4 1 1 A 54 54 THR HA H 54 5.167 4.496 0.671 1
1 699 . 4 1 1 A 54 54 THR CB C 54 70.071 69.605 0.466 1
1 705 . 4 1 1 A 54 54 THR C C 54 173.689 173.843 -0.154 1
1 706 . 4 1 1 A 55 55 TYR N N 55 125.966 123.175 2.791 1
1 707 . 4 1 1 A 55 55 TYR H H 55 9.319 9.628 -0.309 1
1 708 . 4 1 1 A 55 55 TYR CA C 55 56.507 56.190 0.317 1
1 709 . 4 1 1 A 55 55 TYR HA H 55 4.767 5.188 -0.421 1
1 710 . 4 1 1 A 55 55 TYR CB C 55 40.591 41.753 -1.162 1
1 721 . 4 1 1 A 55 55 TYR C C 55 173.538 175.382 -1.844 1
1 722 . 4 1 1 A 56 56 GLU N N 56 119.827 121.148 -1.321 1
1 723 . 4 1 1 A 56 56 GLU H H 56 8.568 8.780 -0.212 1
1 724 . 4 1 1 A 56 56 GLU CA C 56 54.503 55.209 -0.706 1
1 725 . 4 1 1 A 56 56 GLU HA H 56 5.247 5.348 -0.101 1
1 726 . 4 1 1 A 56 56 GLU CB C 56 30.297 33.051 -2.754 1
1 732 . 4 1 1 A 56 56 GLU C C 56 175.726 175.433 0.293 1
1 733 . 4 1 1 A 57 57 ARG N N 57 123.399 120.005 3.394 1
1 734 . 4 1 1 A 57 57 ARG H H 57 8.971 8.416 0.555 1
1 735 . 4 1 1 A 57 57 ARG CA C 57 54.944 55.060 -0.116 1
1 736 . 4 1 1 A 57 57 ARG HA H 57 4.710 5.068 -0.358 1
1 737 . 4 1 1 A 57 57 ARG CB C 57 33.362 34.030 -0.668 1
1 746 . 4 1 1 A 57 57 ARG C C 57 174.166 174.116 0.050 1
1 747 . 4 1 1 A 58 58 GLN N N 58 120.188 119.768 0.420 1
1 748 . 4 1 1 A 58 58 GLN H H 58 8.634 8.623 0.011 1
1 749 . 4 1 1 A 58 58 GLN CA C 58 53.251 54.746 -1.495 1
1 750 . 4 1 1 A 58 58 GLN HA H 58 5.602 5.402 0.200 1
1 751 . 4 1 1 A 58 58 GLN CB C 58 31.229 31.360 -0.131 1
1 760 . 4 1 1 A 58 58 GLN C C 58 175.726 174.576 1.150 1
1 761 . 4 1 1 A 59 59 GLY N N 59 107.196 108.562 -1.366 1
1 762 . 4 1 1 A 59 59 GLY H H 59 8.644 8.979 -0.335 1
1 763 . 4 1 1 A 59 59 GLY CA C 59 45.583 44.392 1.191 1
1 764 . 4 1 1 A 59 59 GLY HA2 H 59 3.947 4.195 -0.248 1
1 765 . 4 1 1 A 59 59 GLY HA3 H 59 3.947 4.371 -0.424 1
1 766 . 4 1 1 A 59 59 GLY C C 59 170.223 171.752 -1.529 1
1 767 . 4 1 1 A 60 60 PHE N N 60 119.079 119.216 -0.137 1
1 768 . 4 1 1 A 60 60 PHE H H 60 9.178 8.722 0.456 1
1 769 . 4 1 1 A 60 60 PHE CA C 60 58.544 58.026 0.518 1
1 770 . 4 1 1 A 60 60 PHE HA H 60 5.668 5.131 0.537 1
1 771 . 4 1 1 A 60 60 PHE CB C 60 42.484 40.820 1.664 1
1 784 . 4 1 1 A 60 60 PHE C C 60 175.423 175.804 -0.381 1
1 785 . 4 1 1 A 61 61 VAL N N 61 111.060 117.034 -5.974 1
1 786 . 4 1 1 A 61 61 VAL H H 61 9.089 8.999 0.090 1
1 787 . 4 1 1 A 61 61 VAL CA C 61 58.189 58.319 -0.130 1
1 788 . 4 1 1 A 61 61 VAL HA H 61 4.833 4.921 -0.088 1
1 789 . 4 1 1 A 61 61 VAL CB C 61 33.744 34.832 -1.088 1
1 800 . 4 1 1 A 62 62 PRO CA C 62 61.852 62.166 -0.314 1
1 801 . 4 1 1 A 62 62 PRO HA H 62 3.572 4.314 -0.742 1
1 802 . 4 1 1 A 62 62 PRO CB C 62 29.704 30.930 -1.226 1
1 810 . 4 1 1 A 62 62 PRO C C 62 177.719 177.354 0.365 1
1 811 . 4 1 1 A 63 63 ALA N N 63 129.142 128.265 0.877 1
1 812 . 4 1 1 A 63 63 ALA H H 63 7.477 8.389 -0.912 1
1 813 . 4 1 1 A 63 63 ALA CA C 63 54.472 54.400 0.072 1
1 814 . 4 1 1 A 63 63 ALA HA H 63 2.655 3.660 -1.005 1
1 818 . 4 1 1 A 63 63 ALA CB C 63 15.740 16.843 -1.103 1
1 819 . 4 1 1 A 63 63 ALA C C 63 178.434 179.513 -1.079 1
1 820 . 4 1 1 A 64 64 ALA N N 64 113.410 119.369 -5.959 1
1 821 . 4 1 1 A 64 64 ALA H H 64 7.857 8.076 -0.219 1
1 822 . 4 1 1 A 64 64 ALA CA C 64 52.991 54.206 -1.215 1
1 823 . 4 1 1 A 64 64 ALA HA H 64 4.006 4.019 -0.013 1
1 827 . 4 1 1 A 64 64 ALA CB C 64 17.605 18.268 -0.663 1
1 828 . 4 1 1 A 64 64 ALA C C 64 178.109 178.159 -0.050 1
1 829 . 4 1 1 A 65 65 TYR N N 65 116.059 116.576 -0.517 1
1 830 . 4 1 1 A 65 65 TYR H H 65 7.705 7.920 -0.215 1
1 831 . 4 1 1 A 65 65 TYR CA C 65 56.477 58.369 -1.892 1
1 832 . 4 1 1 A 65 65 TYR HA H 65 4.758 4.688 0.070 1
1 833 . 4 1 1 A 65 65 TYR CB C 65 37.765 39.084 -1.319 1
1 844 . 4 1 1 A 65 65 TYR C C 65 174.361 175.660 -1.299 1
1 845 . 4 1 1 A 66 66 VAL N N 66 111.003 115.430 -4.427 1
1 846 . 4 1 1 A 66 66 VAL H H 66 7.422 7.516 -0.094 1
1 847 . 4 1 1 A 66 66 VAL CA C 66 58.268 59.016 -0.748 1
1 848 . 4 1 1 A 66 66 VAL HA H 66 5.547 5.014 0.533 1
1 849 . 4 1 1 A 66 66 VAL CB C 66 35.809 36.385 -0.576 1
1 859 . 4 1 1 A 66 66 VAL C C 66 173.538 174.620 -1.082 1
1 860 . 4 1 1 A 67 67 LYS N N 67 118.514 120.202 -1.688 1
1 861 . 4 1 1 A 67 67 LYS H H 67 8.636 8.964 -0.328 1
1 862 . 4 1 1 A 67 67 LYS CA C 67 53.828 54.710 -0.882 1
1 863 . 4 1 1 A 67 67 LYS HA H 67 4.840 5.013 -0.173 1
1 864 . 4 1 1 A 67 67 LYS CB C 67 36.636 36.583 0.053 1
1 876 . 4 1 1 A 67 67 LYS C C 67 176.029 174.649 1.380 1
1 877 . 4 1 1 A 68 68 LYS N N 68 125.817 125.015 0.802 1
1 878 . 4 1 1 A 68 68 LYS H H 68 9.246 8.994 0.252 1
1 879 . 4 1 1 A 68 68 LYS CA C 68 58.514 56.616 1.898 1
1 880 . 4 1 1 A 68 68 LYS HA H 68 4.494 4.592 -0.098 1
1 881 . 4 1 1 A 68 68 LYS CB C 68 32.893 33.499 -0.606 1
1 891 . 4 1 1 A 68 68 LYS C C 68 176.679 176.412 0.267 1
1 892 . 4 1 1 A 69 69 LEU N N 69 125.294 128.921 -3.627 1
1 893 . 4 1 1 A 69 69 LEU H H 69 8.506 8.863 -0.357 1
1 894 . 4 1 1 A 69 69 LEU CA C 69 54.873 57.384 -2.511 1
1 895 . 4 1 1 A 69 69 LEU HA H 69 4.429 4.273 0.156 1
1 896 . 4 1 1 A 69 69 LEU CB C 69 42.631 42.647 -0.016 1
1 909 . 4 1 1 A 69 69 LEU C C 69 176.203 176.157 0.046 1
1 10 . 5 1 1 A 2 2 ASP N N 2 123.392 121.217 2.175 1
1 11 . 5 1 1 A 2 2 ASP H H 2 8.830 7.927 0.903 1
1 12 . 5 1 1 A 2 2 ASP CA C 2 54.029 52.611 1.418 1
1 13 . 5 1 1 A 2 2 ASP HA H 2 4.699 4.919 -0.220 1
1 14 . 5 1 1 A 2 2 ASP CB C 2 40.198 41.423 -1.225 1
1 17 . 5 1 1 A 2 2 ASP C C 2 175.639 176.183 -0.544 1
1 18 . 5 1 1 A 3 3 GLU N N 3 121.824 120.873 0.951 1
1 19 . 5 1 1 A 3 3 GLU H H 3 8.663 7.923 0.740 1
1 20 . 5 1 1 A 3 3 GLU CA C 3 56.162 56.089 0.073 1
1 21 . 5 1 1 A 3 3 GLU HA H 3 4.406 4.446 -0.040 1
1 22 . 5 1 1 A 3 3 GLU CB C 3 28.702 29.271 -0.569 1
1 28 . 5 1 1 A 3 3 GLU C C 3 176.354 176.524 -0.170 1
1 29 . 5 1 1 A 4 4 THR N N 4 114.607 114.225 0.382 1
1 30 . 5 1 1 A 4 4 THR H H 4 8.285 8.198 0.087 1
1 31 . 5 1 1 A 4 4 THR CA C 4 62.425 62.122 0.303 1
1 32 . 5 1 1 A 4 4 THR HA H 4 4.267 4.576 -0.309 1
1 33 . 5 1 1 A 4 4 THR CB C 4 69.672 70.899 -1.227 1
1 39 . 5 1 1 A 4 4 THR C C 4 175.271 175.752 -0.481 1
1 40 . 5 1 1 A 5 5 GLY N N 5 111.345 108.430 2.915 1
1 41 . 5 1 1 A 5 5 GLY H H 5 8.436 8.142 0.294 1
1 42 . 5 1 1 A 5 5 GLY CA C 5 45.297 45.688 -0.391 1
1 43 . 5 1 1 A 5 5 GLY HA2 H 5 3.942 3.973 -0.031 1
1 44 . 5 1 1 A 5 5 GLY HA3 H 5 3.942 3.975 -0.033 1
1 45 . 5 1 1 A 5 5 GLY C C 5 173.668 174.544 -0.876 1
1 46 . 5 1 1 A 6 6 LYS N N 6 119.783 117.583 2.200 1
1 47 . 5 1 1 A 6 6 LYS H H 6 8.017 7.606 0.411 1
1 48 . 5 1 1 A 6 6 LYS CA C 6 55.538 57.739 -2.201 1
1 49 . 5 1 1 A 6 6 LYS HA H 6 4.387 4.327 0.060 1
1 50 . 5 1 1 A 6 6 LYS CB C 6 33.257 33.195 0.062 1
1 62 . 5 1 1 A 6 6 LYS C C 6 176.029 176.607 -0.578 1
1 63 . 5 1 1 A 7 7 GLU N N 7 122.414 113.968 8.446 1
1 64 . 5 1 1 A 7 7 GLU H H 7 8.584 7.975 0.609 1
1 65 . 5 1 1 A 7 7 GLU CA C 7 55.404 54.921 0.483 1
1 66 . 5 1 1 A 7 7 GLU HA H 7 4.495 4.817 -0.322 1
1 67 . 5 1 1 A 7 7 GLU CB C 7 30.382 31.215 -0.833 1
1 73 . 5 1 1 A 7 7 GLU C C 7 174.014 174.661 -0.647 1
1 74 . 5 1 1 A 8 8 LEU N N 8 122.989 127.217 -4.228 1
1 75 . 5 1 1 A 8 8 LEU H H 8 8.414 8.863 -0.449 1
1 76 . 5 1 1 A 8 8 LEU CA C 8 53.188 53.338 -0.150 1
1 77 . 5 1 1 A 8 8 LEU HA H 8 5.381 5.431 -0.050 1
1 78 . 5 1 1 A 8 8 LEU CB C 8 45.173 44.576 0.597 1
1 90 . 5 1 1 A 8 8 LEU C C 8 177.329 176.188 1.141 1
1 91 . 5 1 1 A 9 9 VAL N N 9 111.709 119.345 -7.636 1
1 92 . 5 1 1 A 9 9 VAL H H 9 9.125 9.608 -0.483 1
1 93 . 5 1 1 A 9 9 VAL CA C 9 57.854 59.728 -1.874 1
1 94 . 5 1 1 A 9 9 VAL HA H 9 5.232 5.076 0.156 1
1 95 . 5 1 1 A 9 9 VAL CB C 9 35.864 34.629 1.235 1
1 105 . 5 1 1 A 9 9 VAL C C 9 172.368 174.007 -1.639 1
1 106 . 5 1 1 A 10 10 LEU N N 10 123.520 127.889 -4.369 1
1 107 . 5 1 1 A 10 10 LEU H H 10 8.989 8.971 0.018 1
1 108 . 5 1 1 A 10 10 LEU CA C 10 52.445 53.447 -1.002 1
1 109 . 5 1 1 A 10 10 LEU HA H 10 5.113 5.353 -0.240 1
1 110 . 5 1 1 A 10 10 LEU CB C 10 46.776 44.722 2.054 1
1 123 . 5 1 1 A 10 10 LEU C C 10 176.549 175.671 0.878 1
1 124 . 5 1 1 A 11 11 ALA N N 11 127.272 128.905 -1.633 1
1 125 . 5 1 1 A 11 11 ALA H H 11 9.163 8.900 0.263 1
1 126 . 5 1 1 A 11 11 ALA CA C 11 52.416 51.595 0.821 1
1 127 . 5 1 1 A 11 11 ALA HA H 11 4.602 4.589 0.013 1
1 131 . 5 1 1 A 11 11 ALA CB C 11 19.274 19.433 -0.159 1
1 132 . 5 1 1 A 11 11 ALA C C 11 178.282 177.651 0.631 1
1 133 . 5 1 1 A 12 12 LEU N N 12 127.769 125.590 2.179 1
1 134 . 5 1 1 A 12 12 LEU H H 12 9.257 8.996 0.261 1
1 135 . 5 1 1 A 12 12 LEU CA C 12 55.442 55.979 -0.537 1
1 136 . 5 1 1 A 12 12 LEU HA H 12 3.898 4.168 -0.270 1
1 137 . 5 1 1 A 12 12 LEU CB C 12 43.110 42.669 0.441 1
1 150 . 5 1 1 A 12 12 LEU C C 12 174.946 176.526 -1.580 1
1 151 . 5 1 1 A 13 13 TYR N N 13 111.673 115.760 -4.087 1
1 152 . 5 1 1 A 13 13 TYR H H 13 7.129 8.103 -0.974 1
1 153 . 5 1 1 A 13 13 TYR CA C 13 54.720 56.894 -2.174 1
1 154 . 5 1 1 A 13 13 TYR HA H 13 4.633 5.097 -0.464 1
1 155 . 5 1 1 A 13 13 TYR CB C 13 43.043 41.866 1.177 1
1 166 . 5 1 1 A 13 13 TYR C C 13 173.668 175.178 -1.510 1
1 167 . 5 1 1 A 14 14 ASP N N 14 117.814 121.390 -3.576 1
1 168 . 5 1 1 A 14 14 ASP H H 14 8.347 8.866 -0.519 1
1 169 . 5 1 1 A 14 14 ASP CA C 14 54.571 53.680 0.891 1
1 170 . 5 1 1 A 14 14 ASP HA H 14 4.633 5.249 -0.616 1
1 171 . 5 1 1 A 14 14 ASP CB C 14 41.136 42.129 -0.993 1
1 174 . 5 1 1 A 14 14 ASP C C 14 176.051 175.150 0.901 1
1 175 . 5 1 1 A 15 15 TYR N N 15 120.213 123.418 -3.205 1
1 176 . 5 1 1 A 15 15 TYR H H 15 8.748 9.204 -0.456 1
1 177 . 5 1 1 A 15 15 TYR CA C 15 59.454 57.170 2.284 1
1 178 . 5 1 1 A 15 15 TYR HA H 15 4.654 5.285 -0.631 1
1 179 . 5 1 1 A 15 15 TYR CB C 15 43.400 42.510 0.890 1
1 190 . 5 1 1 A 15 15 TYR C C 15 172.758 173.782 -1.024 1
1 191 . 5 1 1 A 16 16 GLN N N 16 126.986 122.657 4.329 1
1 192 . 5 1 1 A 16 16 GLN H H 16 7.558 7.763 -0.205 1
1 193 . 5 1 1 A 16 16 GLN CA C 16 53.534 53.489 0.045 1
1 194 . 5 1 1 A 16 16 GLN HA H 16 4.500 4.866 -0.366 1
1 195 . 5 1 1 A 16 16 GLN CB C 16 29.071 32.356 -3.285 1
1 204 . 5 1 1 A 16 16 GLN C C 16 173.863 173.969 -0.106 1
1 205 . 5 1 1 A 17 17 GLU N N 17 123.063 120.881 2.182 1
1 206 . 5 1 1 A 17 17 GLU H H 17 7.979 8.482 -0.503 1
1 207 . 5 1 1 A 17 17 GLU CA C 17 55.935 56.137 -0.202 1
1 208 . 5 1 1 A 17 17 GLU HA H 17 4.182 4.330 -0.148 1
1 209 . 5 1 1 A 17 17 GLU CB C 17 28.948 30.301 -1.353 1
1 215 . 5 1 1 A 17 17 GLU C C 17 175.899 176.832 -0.933 1
1 216 . 5 1 1 A 18 18 LYS N N 18 120.853 119.864 0.989 1
1 217 . 5 1 1 A 18 18 LYS H H 18 8.771 8.824 -0.053 1
1 218 . 5 1 1 A 18 18 LYS CA C 18 55.393 56.513 -1.120 1
1 219 . 5 1 1 A 18 18 LYS HA H 18 4.390 4.610 -0.220 1
1 220 . 5 1 1 A 18 18 LYS CB C 18 33.393 34.288 -0.895 1
1 232 . 5 1 1 A 18 18 LYS C C 18 176.138 176.003 0.135 1
1 233 . 5 1 1 A 19 19 SER N N 19 115.089 115.490 -0.401 1
1 234 . 5 1 1 A 19 19 SER H H 19 7.658 7.957 -0.299 1
1 235 . 5 1 1 A 19 19 SER CA C 19 56.821 55.824 0.997 1
1 236 . 5 1 1 A 19 19 SER HA H 19 4.863 4.845 0.018 1
1 237 . 5 1 1 A 19 19 SER CB C 19 64.208 64.877 -0.669 1
1 241 . 5 1 1 A 20 20 PRO CA C 20 64.803 64.321 0.482 1
1 242 . 5 1 1 A 20 20 PRO HA H 20 4.521 4.500 0.021 1
1 243 . 5 1 1 A 20 20 PRO CB C 20 31.657 31.721 -0.064 1
1 251 . 5 1 1 A 20 20 PRO C C 20 176.657 177.301 -0.644 1
1 252 . 5 1 1 A 21 21 ARG N N 21 113.827 116.609 -2.782 1
1 253 . 5 1 1 A 21 21 ARG H H 21 7.694 8.242 -0.548 1
1 254 . 5 1 1 A 21 21 ARG CA C 21 56.119 57.105 -0.986 1
1 255 . 5 1 1 A 21 21 ARG HA H 21 4.593 4.371 0.222 1
1 256 . 5 1 1 A 21 21 ARG CB C 21 30.299 31.127 -0.828 1
1 265 . 5 1 1 A 21 21 ARG C C 21 173.386 176.805 -3.419 1
1 266 . 5 1 1 A 22 22 GLU N N 22 121.389 117.961 3.428 1
1 267 . 5 1 1 A 22 22 GLU H H 22 7.850 7.901 -0.051 1
1 268 . 5 1 1 A 22 22 GLU CA C 22 54.951 55.305 -0.354 1
1 269 . 5 1 1 A 22 22 GLU HA H 22 5.487 4.753 0.734 1
1 270 . 5 1 1 A 22 22 GLU CB C 22 33.588 30.907 2.681 1
1 276 . 5 1 1 A 22 22 GLU C C 22 174.491 175.946 -1.455 1
1 277 . 5 1 1 A 23 23 VAL N N 23 113.069 119.042 -5.973 1
1 278 . 5 1 1 A 23 23 VAL H H 23 7.410 8.845 -1.435 1
1 279 . 5 1 1 A 23 23 VAL CA C 23 59.793 60.101 -0.308 1
1 280 . 5 1 1 A 23 23 VAL HA H 23 4.531 4.861 -0.330 1
1 281 . 5 1 1 A 23 23 VAL CB C 23 34.667 34.658 0.009 1
1 291 . 5 1 1 A 23 23 VAL C C 23 172.541 174.752 -2.211 1
1 292 . 5 1 1 A 24 24 THR N N 24 118.283 119.427 -1.144 1
1 293 . 5 1 1 A 24 24 THR H H 24 7.362 8.708 -1.346 1
1 294 . 5 1 1 A 24 24 THR CA C 24 61.708 62.596 -0.888 1
1 295 . 5 1 1 A 24 24 THR HA H 24 5.085 4.908 0.177 1
1 296 . 5 1 1 A 24 24 THR CB C 24 70.934 70.151 0.783 1
1 302 . 5 1 1 A 24 24 THR C C 24 174.274 174.409 -0.135 1
1 303 . 5 1 1 A 25 25 MET N N 25 121.971 123.954 -1.983 1
1 304 . 5 1 1 A 25 25 MET H H 25 9.523 9.212 0.311 1
1 305 . 5 1 1 A 25 25 MET CA C 25 54.328 53.313 1.015 1
1 306 . 5 1 1 A 25 25 MET HA H 25 4.929 5.438 -0.509 1
1 307 . 5 1 1 A 25 25 MET CB C 25 36.287 36.204 0.083 1
1 317 . 5 1 1 A 25 25 MET C C 25 173.841 174.660 -0.819 1
1 318 . 5 1 1 A 26 26 LYS N N 26 124.399 119.439 4.960 1
1 319 . 5 1 1 A 26 26 LYS H H 26 8.820 8.745 0.075 1
1 320 . 5 1 1 A 26 26 LYS CA C 26 53.699 54.379 -0.680 1
1 321 . 5 1 1 A 26 26 LYS HA H 26 4.879 4.960 -0.081 1
1 322 . 5 1 1 A 26 26 LYS CB C 26 34.097 36.443 -2.346 1
1 332 . 5 1 1 A 26 26 LYS C C 26 174.968 176.519 -1.551 1
1 333 . 5 1 1 A 27 27 LYS N N 27 122.619 121.268 1.351 1
1 334 . 5 1 1 A 27 27 LYS H H 27 9.013 8.708 0.305 1
1 335 . 5 1 1 A 27 27 LYS CA C 27 58.078 58.772 -0.694 1
1 336 . 5 1 1 A 27 27 LYS HA H 27 4.837 4.026 0.811 1
1 337 . 5 1 1 A 27 27 LYS CB C 27 32.269 32.057 0.212 1
1 349 . 5 1 1 A 27 27 LYS C C 27 177.307 177.323 -0.016 1
1 350 . 5 1 1 A 28 28 GLY N N 28 115.785 112.597 3.188 1
1 351 . 5 1 1 A 28 28 GLY H H 28 8.902 9.209 -0.307 1
1 352 . 5 1 1 A 28 28 GLY CA C 28 44.564 45.018 -0.454 1
1 353 . 5 1 1 A 28 28 GLY HA2 H 28 3.538 4.016 -0.478 1
1 354 . 5 1 1 A 28 28 GLY HA3 H 28 4.481 4.020 0.461 1
1 355 . 5 1 1 A 28 28 GLY C C 28 174.014 174.005 0.009 1
1 356 . 5 1 1 A 29 29 ASP N N 29 122.243 121.451 0.792 1
1 357 . 5 1 1 A 29 29 ASP H H 29 8.511 8.385 0.126 1
1 358 . 5 1 1 A 29 29 ASP CA C 29 55.353 54.459 0.894 1
1 359 . 5 1 1 A 29 29 ASP HA H 29 4.523 4.621 -0.098 1
1 360 . 5 1 1 A 29 29 ASP CB C 29 41.146 41.980 -0.834 1
1 363 . 5 1 1 A 29 29 ASP C C 29 174.274 175.740 -1.466 1
1 364 . 5 1 1 A 30 30 ILE N N 30 120.587 126.125 -5.538 1
1 365 . 5 1 1 A 30 30 ILE H H 30 8.227 8.622 -0.395 1
1 366 . 5 1 1 A 30 30 ILE CA C 30 60.366 60.344 0.022 1
1 367 . 5 1 1 A 30 30 ILE HA H 30 5.036 4.943 0.093 1
1 368 . 5 1 1 A 30 30 ILE CB C 30 38.210 40.602 -2.392 1
1 381 . 5 1 1 A 30 30 ILE C C 30 176.246 174.959 1.287 1
1 382 . 5 1 1 A 31 31 LEU N N 31 128.265 127.727 0.538 1
1 383 . 5 1 1 A 31 31 LEU H H 31 9.353 9.129 0.224 1
1 384 . 5 1 1 A 31 31 LEU CA C 31 53.414 53.291 0.123 1
1 385 . 5 1 1 A 31 31 LEU HA H 31 5.010 5.080 -0.070 1
1 386 . 5 1 1 A 31 31 LEU CB C 31 43.893 45.400 -1.507 1
1 397 . 5 1 1 A 31 31 LEU C C 31 175.596 175.586 0.010 1
1 398 . 5 1 1 A 32 32 THR N N 32 117.027 118.028 -1.001 1
1 399 . 5 1 1 A 32 32 THR H H 32 8.146 8.570 -0.424 1
1 400 . 5 1 1 A 32 32 THR CA C 32 63.046 62.315 0.731 1
1 401 . 5 1 1 A 32 32 THR HA H 32 4.629 4.908 -0.279 1
1 402 . 5 1 1 A 32 32 THR CB C 32 69.576 69.631 -0.055 1
1 408 . 5 1 1 A 32 32 THR C C 32 173.559 174.909 -1.350 1
1 409 . 5 1 1 A 33 33 LEU N N 33 129.212 129.022 0.190 1
1 410 . 5 1 1 A 33 33 LEU H H 33 9.070 8.514 0.556 1
1 411 . 5 1 1 A 33 33 LEU CA C 33 54.894 56.235 -1.341 1
1 412 . 5 1 1 A 33 33 LEU HA H 33 4.351 4.353 -0.002 1
1 413 . 5 1 1 A 33 33 LEU CB C 33 43.191 41.981 1.210 1
1 426 . 5 1 1 A 33 33 LEU C C 33 174.513 176.240 -1.727 1
1 427 . 5 1 1 A 34 34 LEU N N 34 125.818 130.144 -4.326 1
1 428 . 5 1 1 A 34 34 LEU H H 34 9.060 9.179 -0.119 1
1 429 . 5 1 1 A 34 34 LEU CA C 34 54.885 55.667 -0.782 1
1 430 . 5 1 1 A 34 34 LEU HA H 34 4.523 4.579 -0.056 1
1 431 . 5 1 1 A 34 34 LEU CB C 34 42.990 43.349 -0.359 1
1 443 . 5 1 1 A 34 34 LEU C C 34 177.502 175.798 1.704 1
1 444 . 5 1 1 A 35 35 ASN N N 35 114.008 117.691 -3.683 1
1 445 . 5 1 1 A 35 35 ASN H H 35 7.617 7.991 -0.374 1
1 446 . 5 1 1 A 35 35 ASN CA C 35 54.502 52.741 1.761 1
1 447 . 5 1 1 A 35 35 ASN HA H 35 4.736 5.009 -0.273 1
1 448 . 5 1 1 A 35 35 ASN CB C 35 40.933 40.538 0.395 1
1 454 . 5 1 1 A 35 35 ASN C C 35 174.318 174.534 -0.216 1
1 455 . 5 1 1 A 36 36 SER N N 36 123.608 117.963 5.645 1
1 456 . 5 1 1 A 36 36 SER H H 36 9.172 8.388 0.784 1
1 457 . 5 1 1 A 36 36 SER CA C 36 56.915 57.000 -0.085 1
1 458 . 5 1 1 A 36 36 SER HA H 36 3.940 4.414 -0.474 1
1 459 . 5 1 1 A 36 36 SER CB C 36 62.042 62.338 -0.296 1
1 462 . 5 1 1 A 36 36 SER C C 36 173.364 175.314 -1.950 1
1 463 . 5 1 1 A 37 37 THR N N 37 115.130 115.689 -0.559 1
1 464 . 5 1 1 A 37 37 THR H H 37 8.184 7.638 0.546 1
1 465 . 5 1 1 A 37 37 THR CA C 37 65.381 65.475 -0.094 1
1 466 . 5 1 1 A 37 37 THR HA H 37 3.980 3.975 0.005 1
1 467 . 5 1 1 A 37 37 THR CB C 37 69.489 69.147 0.342 1
1 473 . 5 1 1 A 37 37 THR C C 37 175.249 174.786 0.463 1
1 474 . 5 1 1 A 38 38 ASN N N 38 122.469 118.928 3.541 1
1 475 . 5 1 1 A 38 38 ASN H H 38 8.681 8.037 0.644 1
1 476 . 5 1 1 A 38 38 ASN CA C 38 53.337 52.634 0.703 1
1 477 . 5 1 1 A 38 38 ASN HA H 38 4.867 4.960 -0.093 1
1 478 . 5 1 1 A 38 38 ASN CB C 38 40.376 40.273 0.103 1
1 484 . 5 1 1 A 38 38 ASN C C 38 174.599 175.928 -1.329 1
1 485 . 5 1 1 A 39 39 LYS N N 39 120.915 121.189 -0.274 1
1 486 . 5 1 1 A 39 39 LYS H H 39 8.516 8.610 -0.094 1
1 487 . 5 1 1 A 39 39 LYS CA C 39 58.333 57.189 1.144 1
1 488 . 5 1 1 A 39 39 LYS HA H 39 4.247 4.752 -0.505 1
1 489 . 5 1 1 A 39 39 LYS CB C 39 32.371 33.999 -1.628 1
1 499 . 5 1 1 A 39 39 LYS C C 39 176.268 177.779 -1.511 1
1 500 . 5 1 1 A 40 40 ASP N N 40 114.512 117.465 -2.953 1
1 501 . 5 1 1 A 40 40 ASP H H 40 8.210 7.885 0.325 1
1 502 . 5 1 1 A 40 40 ASP CA C 40 55.083 55.684 -0.601 1
1 503 . 5 1 1 A 40 40 ASP HA H 40 4.544 4.386 0.158 1
1 504 . 5 1 1 A 40 40 ASP CB C 40 43.014 42.142 0.872 1
1 507 . 5 1 1 A 40 40 ASP C C 40 176.852 175.722 1.130 1
1 508 . 5 1 1 A 41 41 TRP N N 41 122.703 116.403 6.300 1
1 509 . 5 1 1 A 41 41 TRP H H 41 8.212 8.069 0.143 1
1 510 . 5 1 1 A 41 41 TRP CA C 41 56.005 56.127 -0.122 1
1 511 . 5 1 1 A 41 41 TRP HA H 41 5.078 5.326 -0.248 1
1 512 . 5 1 1 A 41 41 TRP CB C 41 32.019 30.232 1.787 1
1 527 . 5 1 1 A 41 41 TRP C C 41 174.166 175.830 -1.664 1
1 528 . 5 1 1 A 42 42 TRP N N 42 124.905 124.832 0.073 1
1 529 . 5 1 1 A 42 42 TRP H H 42 9.380 9.491 -0.111 1
1 530 . 5 1 1 A 42 42 TRP CA C 42 53.861 55.796 -1.935 1
1 531 . 5 1 1 A 42 42 TRP HA H 42 5.523 5.174 0.349 1
1 532 . 5 1 1 A 42 42 TRP CB C 42 31.543 30.930 0.613 1
1 547 . 5 1 1 A 42 42 TRP C C 42 174.144 176.074 -1.930 1
1 548 . 5 1 1 A 43 43 LYS N N 43 124.120 123.074 1.046 1
1 549 . 5 1 1 A 43 43 LYS H H 43 8.896 9.117 -0.221 1
1 550 . 5 1 1 A 43 43 LYS CA C 43 55.231 55.676 -0.445 1
1 551 . 5 1 1 A 43 43 LYS HA H 43 4.396 4.888 -0.492 1
1 552 . 5 1 1 A 43 43 LYS CB C 43 34.366 33.161 1.205 1
1 564 . 5 1 1 A 43 43 LYS C C 43 175.423 175.953 -0.530 1
1 565 . 5 1 1 A 44 44 VAL N N 44 121.984 117.798 4.186 1
1 566 . 5 1 1 A 44 44 VAL H H 44 9.430 8.942 0.488 1
1 567 . 5 1 1 A 44 44 VAL CA C 44 58.751 58.717 0.034 1
1 568 . 5 1 1 A 44 44 VAL HA H 44 5.375 5.160 0.215 1
1 569 . 5 1 1 A 44 44 VAL CB C 44 36.378 35.583 0.795 1
1 579 . 5 1 1 A 44 44 VAL C C 44 173.234 173.426 -0.192 1
1 580 . 5 1 1 A 45 45 GLU N N 45 118.425 122.483 -4.058 1
1 581 . 5 1 1 A 45 45 GLU H H 45 8.757 9.308 -0.551 1
1 582 . 5 1 1 A 45 45 GLU CA C 45 54.139 54.996 -0.857 1
1 583 . 5 1 1 A 45 45 GLU HA H 45 5.423 5.376 0.047 1
1 584 . 5 1 1 A 45 45 GLU CB C 45 32.891 32.383 0.508 1
1 590 . 5 1 1 A 45 45 GLU C C 45 174.621 175.885 -1.264 1
1 591 . 5 1 1 A 46 46 VAL N N 46 123.694 120.035 3.659 1
1 592 . 5 1 1 A 46 46 VAL H H 46 9.089 9.082 0.007 1
1 593 . 5 1 1 A 46 46 VAL CA C 46 59.627 59.297 0.330 1
1 594 . 5 1 1 A 46 46 VAL HA H 46 4.669 5.083 -0.414 1
1 595 . 5 1 1 A 46 46 VAL CB C 46 35.290 35.872 -0.582 1
1 604 . 5 1 1 A 46 46 VAL C C 46 173.234 173.552 -0.318 1
1 605 . 5 1 1 A 47 47 LYS N N 47 124.893 121.625 3.268 1
1 606 . 5 1 1 A 47 47 LYS H H 47 8.455 8.714 -0.259 1
1 607 . 5 1 1 A 47 47 LYS CA C 47 55.404 54.651 0.753 1
1 608 . 5 1 1 A 47 47 LYS HA H 47 5.022 5.258 -0.236 1
1 609 . 5 1 1 A 47 47 LYS CB C 47 33.959 35.350 -1.391 1
1 619 . 5 1 1 A 47 47 LYS C C 47 175.899 174.683 1.216 1
1 620 . 5 1 1 A 48 48 ILE N N 48 124.447 128.187 -3.740 1
1 621 . 5 1 1 A 48 48 ILE H H 48 8.989 9.164 -0.175 1
1 622 . 5 1 1 A 48 48 ILE CA C 48 59.646 60.133 -0.487 1
1 623 . 5 1 1 A 48 48 ILE HA H 48 4.529 4.921 -0.392 1
1 624 . 5 1 1 A 48 48 ILE CB C 48 41.170 40.493 0.677 1
1 637 . 5 1 1 A 48 48 ILE C C 48 174.144 175.531 -1.387 1
1 638 . 5 1 1 A 49 49 THR N N 49 121.012 123.402 -2.390 1
1 639 . 5 1 1 A 49 49 THR H H 49 8.570 8.841 -0.271 1
1 640 . 5 1 1 A 49 49 THR CA C 49 61.301 62.104 -0.803 1
1 641 . 5 1 1 A 49 49 THR HA H 49 5.272 5.304 -0.032 1
1 642 . 5 1 1 A 49 49 THR CB C 49 69.853 70.239 -0.386 1
1 648 . 5 1 1 A 49 49 THR C C 49 174.318 173.810 0.508 1
1 649 . 5 1 1 A 50 50 VAL N N 50 126.754 126.282 0.472 1
1 650 . 5 1 1 A 50 50 VAL H H 50 9.104 9.043 0.061 1
1 651 . 5 1 1 A 50 50 VAL CA C 50 61.070 61.444 -0.374 1
1 652 . 5 1 1 A 50 50 VAL HA H 50 4.292 4.540 -0.248 1
1 653 . 5 1 1 A 50 50 VAL CB C 50 34.452 34.682 -0.230 1
1 663 . 5 1 1 A 50 50 VAL C C 50 175.899 176.171 -0.272 1
1 664 . 5 1 1 A 51 51 ASN N N 51 127.590 127.423 0.167 1
1 665 . 5 1 1 A 51 51 ASN H H 51 9.619 9.488 0.131 1
1 666 . 5 1 1 A 51 51 ASN CA C 51 54.177 54.705 -0.528 1
1 667 . 5 1 1 A 51 51 ASN HA H 51 4.390 4.484 -0.094 1
1 668 . 5 1 1 A 51 51 ASN CB C 51 37.413 37.317 0.096 1
1 671 . 5 1 1 A 51 51 ASN C C 51 175.249 175.615 -0.366 1
1 672 . 5 1 1 A 52 52 GLY N N 52 102.845 104.709 -1.864 1
1 673 . 5 1 1 A 52 52 GLY H H 52 8.535 8.754 -0.219 1
1 674 . 5 1 1 A 52 52 GLY CA C 52 45.443 45.465 -0.022 1
1 675 . 5 1 1 A 52 52 GLY HA2 H 52 3.555 3.888 -0.333 1
1 676 . 5 1 1 A 52 52 GLY HA3 H 52 4.120 3.890 0.230 1
1 677 . 5 1 1 A 52 52 GLY C C 52 176.398 173.734 2.664 1
1 678 . 5 1 1 A 53 53 LYS N N 53 121.989 120.639 1.350 1
1 679 . 5 1 1 A 53 53 LYS H H 53 7.849 8.179 -0.330 1
1 680 . 5 1 1 A 53 53 LYS CA C 53 54.807 54.362 0.445 1
1 681 . 5 1 1 A 53 53 LYS HA H 53 4.641 4.482 0.159 1
1 682 . 5 1 1 A 53 53 LYS CB C 53 34.440 34.561 -0.121 1
1 694 . 5 1 1 A 53 53 LYS C C 53 174.513 175.934 -1.421 1
1 695 . 5 1 1 A 54 54 THR N N 54 118.860 115.945 2.915 1
1 696 . 5 1 1 A 54 54 THR H H 54 8.445 8.462 -0.017 1
1 697 . 5 1 1 A 54 54 THR CA C 54 62.074 61.119 0.955 1
1 698 . 5 1 1 A 54 54 THR HA H 54 5.167 4.871 0.296 1
1 699 . 5 1 1 A 54 54 THR CB C 54 70.071 69.791 0.280 1
1 705 . 5 1 1 A 54 54 THR C C 54 173.689 173.625 0.064 1
1 706 . 5 1 1 A 55 55 TYR N N 55 125.966 122.615 3.351 1
1 707 . 5 1 1 A 55 55 TYR H H 55 9.319 9.633 -0.314 1
1 708 . 5 1 1 A 55 55 TYR CA C 55 56.507 56.134 0.373 1
1 709 . 5 1 1 A 55 55 TYR HA H 55 4.767 5.082 -0.315 1
1 710 . 5 1 1 A 55 55 TYR CB C 55 40.591 42.549 -1.958 1
1 721 . 5 1 1 A 55 55 TYR C C 55 173.538 175.355 -1.817 1
1 722 . 5 1 1 A 56 56 GLU N N 56 119.827 121.333 -1.506 1
1 723 . 5 1 1 A 56 56 GLU H H 56 8.568 8.870 -0.302 1
1 724 . 5 1 1 A 56 56 GLU CA C 56 54.503 55.150 -0.647 1
1 725 . 5 1 1 A 56 56 GLU HA H 56 5.247 5.356 -0.109 1
1 726 . 5 1 1 A 56 56 GLU CB C 56 30.297 33.186 -2.889 1
1 732 . 5 1 1 A 56 56 GLU C C 56 175.726 175.411 0.315 1
1 733 . 5 1 1 A 57 57 ARG N N 57 123.399 119.884 3.515 1
1 734 . 5 1 1 A 57 57 ARG H H 57 8.971 8.345 0.626 1
1 735 . 5 1 1 A 57 57 ARG CA C 57 54.944 54.973 -0.029 1
1 736 . 5 1 1 A 57 57 ARG HA H 57 4.710 5.082 -0.372 1
1 737 . 5 1 1 A 57 57 ARG CB C 57 33.362 34.126 -0.764 1
1 746 . 5 1 1 A 57 57 ARG C C 57 174.166 174.179 -0.013 1
1 747 . 5 1 1 A 58 58 GLN N N 58 120.188 119.948 0.240 1
1 748 . 5 1 1 A 58 58 GLN H H 58 8.634 8.670 -0.036 1
1 749 . 5 1 1 A 58 58 GLN CA C 58 53.251 54.433 -1.182 1
1 750 . 5 1 1 A 58 58 GLN HA H 58 5.602 5.380 0.222 1
1 751 . 5 1 1 A 58 58 GLN CB C 58 31.229 31.457 -0.228 1
1 760 . 5 1 1 A 58 58 GLN C C 58 175.726 174.659 1.067 1
1 761 . 5 1 1 A 59 59 GLY N N 59 107.196 108.381 -1.185 1
1 762 . 5 1 1 A 59 59 GLY H H 59 8.644 8.753 -0.109 1
1 763 . 5 1 1 A 59 59 GLY CA C 59 45.583 44.716 0.867 1
1 764 . 5 1 1 A 59 59 GLY HA2 H 59 3.947 4.280 -0.333 1
1 765 . 5 1 1 A 59 59 GLY HA3 H 59 3.947 4.425 -0.478 1
1 766 . 5 1 1 A 59 59 GLY C C 59 170.223 171.987 -1.764 1
1 767 . 5 1 1 A 60 60 PHE N N 60 119.079 119.119 -0.040 1
1 768 . 5 1 1 A 60 60 PHE H H 60 9.178 8.916 0.262 1
1 769 . 5 1 1 A 60 60 PHE CA C 60 58.544 58.136 0.408 1
1 770 . 5 1 1 A 60 60 PHE HA H 60 5.668 5.213 0.455 1
1 771 . 5 1 1 A 60 60 PHE CB C 60 42.484 41.154 1.330 1
1 784 . 5 1 1 A 60 60 PHE C C 60 175.423 175.792 -0.369 1
1 785 . 5 1 1 A 61 61 VAL N N 61 111.060 116.030 -4.970 1
1 786 . 5 1 1 A 61 61 VAL H H 61 9.089 9.132 -0.043 1
1 787 . 5 1 1 A 61 61 VAL CA C 61 58.189 58.630 -0.441 1
1 788 . 5 1 1 A 61 61 VAL HA H 61 4.833 4.930 -0.097 1
1 789 . 5 1 1 A 61 61 VAL CB C 61 33.744 35.099 -1.355 1
1 800 . 5 1 1 A 62 62 PRO CA C 62 61.852 62.128 -0.276 1
1 801 . 5 1 1 A 62 62 PRO HA H 62 3.572 4.243 -0.671 1
1 802 . 5 1 1 A 62 62 PRO CB C 62 29.704 30.884 -1.180 1
1 810 . 5 1 1 A 62 62 PRO C C 62 177.719 177.388 0.331 1
1 811 . 5 1 1 A 63 63 ALA N N 63 129.142 128.291 0.851 1
1 812 . 5 1 1 A 63 63 ALA H H 63 7.477 8.427 -0.950 1
1 813 . 5 1 1 A 63 63 ALA CA C 63 54.472 54.574 -0.102 1
1 814 . 5 1 1 A 63 63 ALA HA H 63 2.655 3.694 -1.039 1
1 818 . 5 1 1 A 63 63 ALA CB C 63 15.740 17.052 -1.312 1
1 819 . 5 1 1 A 63 63 ALA C C 63 178.434 179.706 -1.272 1
1 820 . 5 1 1 A 64 64 ALA N N 64 113.410 119.298 -5.888 1
1 821 . 5 1 1 A 64 64 ALA H H 64 7.857 8.182 -0.325 1
1 822 . 5 1 1 A 64 64 ALA CA C 64 52.991 54.184 -1.193 1
1 823 . 5 1 1 A 64 64 ALA HA H 64 4.006 4.005 0.001 1
1 827 . 5 1 1 A 64 64 ALA CB C 64 17.605 18.277 -0.672 1
1 828 . 5 1 1 A 64 64 ALA C C 64 178.109 178.014 0.095 1
1 829 . 5 1 1 A 65 65 TYR N N 65 116.059 116.622 -0.563 1
1 830 . 5 1 1 A 65 65 TYR H H 65 7.705 7.930 -0.225 1
1 831 . 5 1 1 A 65 65 TYR CA C 65 56.477 58.561 -2.084 1
1 832 . 5 1 1 A 65 65 TYR HA H 65 4.758 4.729 0.029 1
1 833 . 5 1 1 A 65 65 TYR CB C 65 37.765 39.079 -1.314 1
1 844 . 5 1 1 A 65 65 TYR C C 65 174.361 175.671 -1.310 1
1 845 . 5 1 1 A 66 66 VAL N N 66 111.003 115.394 -4.391 1
1 846 . 5 1 1 A 66 66 VAL H H 66 7.422 7.536 -0.114 1
1 847 . 5 1 1 A 66 66 VAL CA C 66 58.268 58.993 -0.725 1
1 848 . 5 1 1 A 66 66 VAL HA H 66 5.547 4.969 0.578 1
1 849 . 5 1 1 A 66 66 VAL CB C 66 35.809 36.608 -0.799 1
1 859 . 5 1 1 A 66 66 VAL C C 66 173.538 173.768 -0.230 1
1 860 . 5 1 1 A 67 67 LYS N N 67 118.514 119.161 -0.647 1
1 861 . 5 1 1 A 67 67 LYS H H 67 8.636 8.955 -0.319 1
1 862 . 5 1 1 A 67 67 LYS CA C 67 53.828 54.806 -0.978 1
1 863 . 5 1 1 A 67 67 LYS HA H 67 4.840 5.047 -0.207 1
1 864 . 5 1 1 A 67 67 LYS CB C 67 36.636 35.920 0.716 1
1 876 . 5 1 1 A 67 67 LYS C C 67 176.029 174.548 1.481 1
1 877 . 5 1 1 A 68 68 LYS N N 68 125.817 123.579 2.238 1
1 878 . 5 1 1 A 68 68 LYS H H 68 9.246 8.788 0.458 1
1 879 . 5 1 1 A 68 68 LYS CA C 68 58.514 57.245 1.269 1
1 880 . 5 1 1 A 68 68 LYS HA H 68 4.494 4.311 0.183 1
1 881 . 5 1 1 A 68 68 LYS CB C 68 32.893 33.259 -0.366 1
1 891 . 5 1 1 A 68 68 LYS C C 68 176.679 177.486 -0.807 1
1 892 . 5 1 1 A 69 69 LEU N N 69 125.294 129.159 -3.865 1
1 893 . 5 1 1 A 69 69 LEU H H 69 8.506 8.715 -0.209 1
1 894 . 5 1 1 A 69 69 LEU CA C 69 54.873 58.674 -3.801 1
1 895 . 5 1 1 A 69 69 LEU HA H 69 4.429 4.012 0.417 1
1 896 . 5 1 1 A 69 69 LEU CB C 69 42.631 41.910 0.721 1
1 909 . 5 1 1 A 69 69 LEU C C 69 176.203 176.314 -0.111 1
1 10 . 6 1 1 A 2 2 ASP N N 2 123.392 118.964 4.428 1
1 11 . 6 1 1 A 2 2 ASP H H 2 8.830 7.732 1.098 1
1 12 . 6 1 1 A 2 2 ASP CA C 2 54.029 53.505 0.524 1
1 13 . 6 1 1 A 2 2 ASP HA H 2 4.699 4.969 -0.270 1
1 14 . 6 1 1 A 2 2 ASP CB C 2 40.198 41.060 -0.862 1
1 17 . 6 1 1 A 2 2 ASP C C 2 175.639 176.500 -0.861 1
1 18 . 6 1 1 A 3 3 GLU N N 3 121.824 119.476 2.348 1
1 19 . 6 1 1 A 3 3 GLU H H 3 8.663 8.456 0.207 1
1 20 . 6 1 1 A 3 3 GLU CA C 3 56.162 57.861 -1.699 1
1 21 . 6 1 1 A 3 3 GLU HA H 3 4.406 4.587 -0.181 1
1 22 . 6 1 1 A 3 3 GLU CB C 3 28.702 32.244 -3.542 1
1 28 . 6 1 1 A 3 3 GLU C C 3 176.354 177.381 -1.027 1
1 29 . 6 1 1 A 4 4 THR N N 4 114.607 107.141 7.466 1
1 30 . 6 1 1 A 4 4 THR H H 4 8.285 7.571 0.714 1
1 31 . 6 1 1 A 4 4 THR CA C 4 62.425 60.840 1.585 1
1 32 . 6 1 1 A 4 4 THR HA H 4 4.267 4.613 -0.346 1
1 33 . 6 1 1 A 4 4 THR CB C 4 69.672 69.386 0.286 1
1 39 . 6 1 1 A 4 4 THR C C 4 175.271 175.269 0.002 1
1 40 . 6 1 1 A 5 5 GLY N N 5 111.345 110.264 1.081 1
1 41 . 6 1 1 A 5 5 GLY H H 5 8.436 8.030 0.406 1
1 42 . 6 1 1 A 5 5 GLY CA C 5 45.297 45.623 -0.326 1
1 43 . 6 1 1 A 5 5 GLY HA2 H 5 3.942 4.021 -0.079 1
1 44 . 6 1 1 A 5 5 GLY HA3 H 5 3.942 4.021 -0.079 1
1 45 . 6 1 1 A 5 5 GLY C C 5 173.668 174.836 -1.168 1
1 46 . 6 1 1 A 6 6 LYS N N 6 119.783 118.562 1.221 1
1 47 . 6 1 1 A 6 6 LYS H H 6 8.017 7.682 0.335 1
1 48 . 6 1 1 A 6 6 LYS CA C 6 55.538 58.663 -3.125 1
1 49 . 6 1 1 A 6 6 LYS HA H 6 4.387 4.170 0.217 1
1 50 . 6 1 1 A 6 6 LYS CB C 6 33.257 33.292 -0.035 1
1 62 . 6 1 1 A 6 6 LYS C C 6 176.029 176.666 -0.637 1
1 63 . 6 1 1 A 7 7 GLU N N 7 122.414 117.782 4.632 1
1 64 . 6 1 1 A 7 7 GLU H H 7 8.584 7.902 0.682 1
1 65 . 6 1 1 A 7 7 GLU CA C 7 55.404 55.180 0.224 1
1 66 . 6 1 1 A 7 7 GLU HA H 7 4.495 4.595 -0.100 1
1 67 . 6 1 1 A 7 7 GLU CB C 7 30.382 30.343 0.039 1
1 73 . 6 1 1 A 7 7 GLU C C 7 174.014 175.074 -1.060 1
1 74 . 6 1 1 A 8 8 LEU N N 8 122.989 127.173 -4.184 1
1 75 . 6 1 1 A 8 8 LEU H H 8 8.414 8.743 -0.329 1
1 76 . 6 1 1 A 8 8 LEU CA C 8 53.188 54.552 -1.364 1
1 77 . 6 1 1 A 8 8 LEU HA H 8 5.381 4.865 0.516 1
1 78 . 6 1 1 A 8 8 LEU CB C 8 45.173 44.127 1.046 1
1 90 . 6 1 1 A 8 8 LEU C C 8 177.329 175.584 1.745 1
1 91 . 6 1 1 A 9 9 VAL N N 9 111.709 119.263 -7.554 1
1 92 . 6 1 1 A 9 9 VAL H H 9 9.125 9.071 0.054 1
1 93 . 6 1 1 A 9 9 VAL CA C 9 57.854 59.385 -1.531 1
1 94 . 6 1 1 A 9 9 VAL HA H 9 5.232 4.891 0.341 1
1 95 . 6 1 1 A 9 9 VAL CB C 9 35.864 35.667 0.197 1
1 105 . 6 1 1 A 9 9 VAL C C 9 172.368 173.902 -1.534 1
1 106 . 6 1 1 A 10 10 LEU N N 10 123.520 126.513 -2.993 1
1 107 . 6 1 1 A 10 10 LEU H H 10 8.989 9.064 -0.075 1
1 108 . 6 1 1 A 10 10 LEU CA C 10 52.445 53.146 -0.701 1
1 109 . 6 1 1 A 10 10 LEU HA H 10 5.113 5.593 -0.480 1
1 110 . 6 1 1 A 10 10 LEU CB C 10 46.776 45.231 1.545 1
1 123 . 6 1 1 A 10 10 LEU C C 10 176.549 175.954 0.595 1
1 124 . 6 1 1 A 11 11 ALA N N 11 127.272 127.941 -0.669 1
1 125 . 6 1 1 A 11 11 ALA H H 11 9.163 9.093 0.070 1
1 126 . 6 1 1 A 11 11 ALA CA C 11 52.416 52.445 -0.029 1
1 127 . 6 1 1 A 11 11 ALA HA H 11 4.602 4.491 0.111 1
1 131 . 6 1 1 A 11 11 ALA CB C 11 19.274 19.107 0.167 1
1 132 . 6 1 1 A 11 11 ALA C C 11 178.282 176.888 1.394 1
1 133 . 6 1 1 A 12 12 LEU N N 12 127.769 124.234 3.535 1
1 134 . 6 1 1 A 12 12 LEU H H 12 9.257 9.589 -0.332 1
1 135 . 6 1 1 A 12 12 LEU CA C 12 55.442 55.807 -0.365 1
1 136 . 6 1 1 A 12 12 LEU HA H 12 3.898 4.367 -0.469 1
1 137 . 6 1 1 A 12 12 LEU CB C 12 43.110 42.985 0.125 1
1 150 . 6 1 1 A 12 12 LEU C C 12 174.946 176.240 -1.294 1
1 151 . 6 1 1 A 13 13 TYR N N 13 111.673 115.934 -4.261 1
1 152 . 6 1 1 A 13 13 TYR H H 13 7.129 8.084 -0.955 1
1 153 . 6 1 1 A 13 13 TYR CA C 13 54.720 56.626 -1.906 1
1 154 . 6 1 1 A 13 13 TYR HA H 13 4.633 4.998 -0.365 1
1 155 . 6 1 1 A 13 13 TYR CB C 13 43.043 41.916 1.127 1
1 166 . 6 1 1 A 13 13 TYR C C 13 173.668 174.775 -1.107 1
1 167 . 6 1 1 A 14 14 ASP N N 14 117.814 120.688 -2.874 1
1 168 . 6 1 1 A 14 14 ASP H H 14 8.347 8.807 -0.460 1
1 169 . 6 1 1 A 14 14 ASP CA C 14 54.571 53.161 1.410 1
1 170 . 6 1 1 A 14 14 ASP HA H 14 4.633 5.432 -0.799 1
1 171 . 6 1 1 A 14 14 ASP CB C 14 41.136 42.432 -1.296 1
1 174 . 6 1 1 A 14 14 ASP C C 14 176.051 175.089 0.962 1
1 175 . 6 1 1 A 15 15 TYR N N 15 120.213 124.335 -4.122 1
1 176 . 6 1 1 A 15 15 TYR H H 15 8.748 9.114 -0.366 1
1 177 . 6 1 1 A 15 15 TYR CA C 15 59.454 56.541 2.913 1
1 178 . 6 1 1 A 15 15 TYR HA H 15 4.654 5.419 -0.765 1
1 179 . 6 1 1 A 15 15 TYR CB C 15 43.400 42.542 0.858 1
1 190 . 6 1 1 A 15 15 TYR C C 15 172.758 173.934 -1.176 1
1 191 . 6 1 1 A 16 16 GLN N N 16 126.986 123.595 3.391 1
1 192 . 6 1 1 A 16 16 GLN H H 16 7.558 8.119 -0.561 1
1 193 . 6 1 1 A 16 16 GLN CA C 16 53.534 53.626 -0.092 1
1 194 . 6 1 1 A 16 16 GLN HA H 16 4.500 4.866 -0.366 1
1 195 . 6 1 1 A 16 16 GLN CB C 16 29.071 32.027 -2.956 1
1 204 . 6 1 1 A 16 16 GLN C C 16 173.863 174.143 -0.280 1
1 205 . 6 1 1 A 17 17 GLU N N 17 123.063 121.008 2.055 1
1 206 . 6 1 1 A 17 17 GLU H H 17 7.979 8.111 -0.132 1
1 207 . 6 1 1 A 17 17 GLU CA C 17 55.935 56.089 -0.154 1
1 208 . 6 1 1 A 17 17 GLU HA H 17 4.182 4.316 -0.134 1
1 209 . 6 1 1 A 17 17 GLU CB C 17 28.948 30.435 -1.487 1
1 215 . 6 1 1 A 17 17 GLU C C 17 175.899 176.750 -0.851 1
1 216 . 6 1 1 A 18 18 LYS N N 18 120.853 120.411 0.442 1
1 217 . 6 1 1 A 18 18 LYS H H 18 8.771 8.869 -0.098 1
1 218 . 6 1 1 A 18 18 LYS CA C 18 55.393 56.660 -1.267 1
1 219 . 6 1 1 A 18 18 LYS HA H 18 4.390 4.554 -0.164 1
1 220 . 6 1 1 A 18 18 LYS CB C 18 33.393 34.030 -0.637 1
1 232 . 6 1 1 A 18 18 LYS C C 18 176.138 176.469 -0.331 1
1 233 . 6 1 1 A 19 19 SER N N 19 115.089 114.948 0.141 1
1 234 . 6 1 1 A 19 19 SER H H 19 7.658 8.017 -0.359 1
1 235 . 6 1 1 A 19 19 SER CA C 19 56.821 55.758 1.063 1
1 236 . 6 1 1 A 19 19 SER HA H 19 4.863 4.878 -0.015 1
1 237 . 6 1 1 A 19 19 SER CB C 19 64.208 64.918 -0.710 1
1 241 . 6 1 1 A 20 20 PRO CA C 20 64.803 64.331 0.472 1
1 242 . 6 1 1 A 20 20 PRO HA H 20 4.521 4.507 0.014 1
1 243 . 6 1 1 A 20 20 PRO CB C 20 31.657 31.706 -0.049 1
1 251 . 6 1 1 A 20 20 PRO C C 20 176.657 177.940 -1.283 1
1 252 . 6 1 1 A 21 21 ARG N N 21 113.827 117.519 -3.692 1
1 253 . 6 1 1 A 21 21 ARG H H 21 7.694 8.261 -0.567 1
1 254 . 6 1 1 A 21 21 ARG CA C 21 56.119 58.641 -2.522 1
1 255 . 6 1 1 A 21 21 ARG HA H 21 4.593 4.221 0.372 1
1 256 . 6 1 1 A 21 21 ARG CB C 21 30.299 30.571 -0.272 1
1 265 . 6 1 1 A 21 21 ARG C C 21 173.386 176.792 -3.406 1
1 266 . 6 1 1 A 22 22 GLU N N 22 121.389 118.531 2.858 1
1 267 . 6 1 1 A 22 22 GLU H H 22 7.850 8.041 -0.191 1
1 268 . 6 1 1 A 22 22 GLU CA C 22 54.951 55.977 -1.026 1
1 269 . 6 1 1 A 22 22 GLU HA H 22 5.487 4.697 0.790 1
1 270 . 6 1 1 A 22 22 GLU CB C 22 33.588 31.035 2.553 1
1 276 . 6 1 1 A 22 22 GLU C C 22 174.491 175.985 -1.494 1
1 277 . 6 1 1 A 23 23 VAL N N 23 113.069 118.496 -5.427 1
1 278 . 6 1 1 A 23 23 VAL H H 23 7.410 8.818 -1.408 1
1 279 . 6 1 1 A 23 23 VAL CA C 23 59.793 59.583 0.210 1
1 280 . 6 1 1 A 23 23 VAL HA H 23 4.531 4.997 -0.466 1
1 281 . 6 1 1 A 23 23 VAL CB C 23 34.667 35.248 -0.581 1
1 291 . 6 1 1 A 23 23 VAL C C 23 172.541 174.497 -1.956 1
1 292 . 6 1 1 A 24 24 THR N N 24 118.283 119.642 -1.359 1
1 293 . 6 1 1 A 24 24 THR H H 24 7.362 8.520 -1.158 1
1 294 . 6 1 1 A 24 24 THR CA C 24 61.708 62.637 -0.929 1
1 295 . 6 1 1 A 24 24 THR HA H 24 5.085 4.782 0.303 1
1 296 . 6 1 1 A 24 24 THR CB C 24 70.934 69.640 1.294 1
1 302 . 6 1 1 A 24 24 THR C C 24 174.274 174.485 -0.211 1
1 303 . 6 1 1 A 25 25 MET N N 25 121.971 124.287 -2.316 1
1 304 . 6 1 1 A 25 25 MET H H 25 9.523 9.289 0.234 1
1 305 . 6 1 1 A 25 25 MET CA C 25 54.328 53.289 1.039 1
1 306 . 6 1 1 A 25 25 MET HA H 25 4.929 5.476 -0.547 1
1 307 . 6 1 1 A 25 25 MET CB C 25 36.287 36.532 -0.245 1
1 317 . 6 1 1 A 25 25 MET C C 25 173.841 174.430 -0.589 1
1 318 . 6 1 1 A 26 26 LYS N N 26 124.399 118.595 5.804 1
1 319 . 6 1 1 A 26 26 LYS H H 26 8.820 8.793 0.027 1
1 320 . 6 1 1 A 26 26 LYS CA C 26 53.699 54.483 -0.784 1
1 321 . 6 1 1 A 26 26 LYS HA H 26 4.879 4.930 -0.051 1
1 322 . 6 1 1 A 26 26 LYS CB C 26 34.097 36.416 -2.319 1
1 332 . 6 1 1 A 26 26 LYS C C 26 174.968 176.474 -1.506 1
1 333 . 6 1 1 A 27 27 LYS N N 27 122.619 121.782 0.837 1
1 334 . 6 1 1 A 27 27 LYS H H 27 9.013 8.494 0.519 1
1 335 . 6 1 1 A 27 27 LYS CA C 27 58.078 57.069 1.009 1
1 336 . 6 1 1 A 27 27 LYS HA H 27 4.837 4.106 0.731 1
1 337 . 6 1 1 A 27 27 LYS CB C 27 32.269 31.944 0.325 1
1 349 . 6 1 1 A 27 27 LYS C C 27 177.307 177.002 0.305 1
1 350 . 6 1 1 A 28 28 GLY N N 28 115.785 113.297 2.488 1
1 351 . 6 1 1 A 28 28 GLY H H 28 8.902 9.030 -0.128 1
1 352 . 6 1 1 A 28 28 GLY CA C 28 44.564 45.017 -0.453 1
1 353 . 6 1 1 A 28 28 GLY HA2 H 28 3.538 4.027 -0.489 1
1 354 . 6 1 1 A 28 28 GLY HA3 H 28 4.481 4.031 0.450 1
1 355 . 6 1 1 A 28 28 GLY C C 28 174.014 174.625 -0.611 1
1 356 . 6 1 1 A 29 29 ASP N N 29 122.243 121.464 0.779 1
1 357 . 6 1 1 A 29 29 ASP H H 29 8.511 8.530 -0.019 1
1 358 . 6 1 1 A 29 29 ASP CA C 29 55.353 54.848 0.505 1
1 359 . 6 1 1 A 29 29 ASP HA H 29 4.523 4.676 -0.153 1
1 360 . 6 1 1 A 29 29 ASP CB C 29 41.146 42.013 -0.867 1
1 363 . 6 1 1 A 29 29 ASP C C 29 174.274 174.650 -0.376 1
1 364 . 6 1 1 A 30 30 ILE N N 30 120.587 119.822 0.765 1
1 365 . 6 1 1 A 30 30 ILE H H 30 8.227 8.391 -0.164 1
1 366 . 6 1 1 A 30 30 ILE CA C 30 60.366 60.685 -0.319 1
1 367 . 6 1 1 A 30 30 ILE HA H 30 5.036 5.118 -0.082 1
1 368 . 6 1 1 A 30 30 ILE CB C 30 38.210 40.868 -2.658 1
1 381 . 6 1 1 A 30 30 ILE C C 30 176.246 174.709 1.537 1
1 382 . 6 1 1 A 31 31 LEU N N 31 128.265 127.638 0.627 1
1 383 . 6 1 1 A 31 31 LEU H H 31 9.353 9.134 0.219 1
1 384 . 6 1 1 A 31 31 LEU CA C 31 53.414 53.197 0.217 1
1 385 . 6 1 1 A 31 31 LEU HA H 31 5.010 5.020 -0.010 1
1 386 . 6 1 1 A 31 31 LEU CB C 31 43.893 45.371 -1.478 1
1 397 . 6 1 1 A 31 31 LEU C C 31 175.596 175.607 -0.011 1
1 398 . 6 1 1 A 32 32 THR N N 32 117.027 117.685 -0.658 1
1 399 . 6 1 1 A 32 32 THR H H 32 8.146 8.565 -0.419 1
1 400 . 6 1 1 A 32 32 THR CA C 32 63.046 62.103 0.943 1
1 401 . 6 1 1 A 32 32 THR HA H 32 4.629 4.801 -0.172 1
1 402 . 6 1 1 A 32 32 THR CB C 32 69.576 69.165 0.411 1
1 408 . 6 1 1 A 32 32 THR C C 32 173.559 174.812 -1.253 1
1 409 . 6 1 1 A 33 33 LEU N N 33 129.212 128.893 0.319 1
1 410 . 6 1 1 A 33 33 LEU H H 33 9.070 8.371 0.699 1
1 411 . 6 1 1 A 33 33 LEU CA C 33 54.894 56.053 -1.159 1
1 412 . 6 1 1 A 33 33 LEU HA H 33 4.351 4.334 0.017 1
1 413 . 6 1 1 A 33 33 LEU CB C 33 43.191 42.234 0.957 1
1 426 . 6 1 1 A 33 33 LEU C C 33 174.513 176.529 -2.016 1
1 427 . 6 1 1 A 34 34 LEU N N 34 125.818 130.171 -4.353 1
1 428 . 6 1 1 A 34 34 LEU H H 34 9.060 9.064 -0.004 1
1 429 . 6 1 1 A 34 34 LEU CA C 34 54.885 56.009 -1.124 1
1 430 . 6 1 1 A 34 34 LEU HA H 34 4.523 4.419 0.104 1
1 431 . 6 1 1 A 34 34 LEU CB C 34 42.990 43.247 -0.257 1
1 443 . 6 1 1 A 34 34 LEU C C 34 177.502 175.935 1.567 1
1 444 . 6 1 1 A 35 35 ASN N N 35 114.008 117.219 -3.211 1
1 445 . 6 1 1 A 35 35 ASN H H 35 7.617 7.954 -0.337 1
1 446 . 6 1 1 A 35 35 ASN CA C 35 54.502 52.394 2.108 1
1 447 . 6 1 1 A 35 35 ASN HA H 35 4.736 5.012 -0.276 1
1 448 . 6 1 1 A 35 35 ASN CB C 35 40.933 40.802 0.131 1
1 454 . 6 1 1 A 35 35 ASN C C 35 174.318 174.665 -0.347 1
1 455 . 6 1 1 A 36 36 SER N N 36 123.608 118.246 5.362 1
1 456 . 6 1 1 A 36 36 SER H H 36 9.172 8.386 0.786 1
1 457 . 6 1 1 A 36 36 SER CA C 36 56.915 57.165 -0.250 1
1 458 . 6 1 1 A 36 36 SER HA H 36 3.940 4.426 -0.486 1
1 459 . 6 1 1 A 36 36 SER CB C 36 62.042 62.455 -0.413 1
1 462 . 6 1 1 A 36 36 SER C C 36 173.364 175.345 -1.981 1
1 463 . 6 1 1 A 37 37 THR N N 37 115.130 115.692 -0.562 1
1 464 . 6 1 1 A 37 37 THR H H 37 8.184 7.671 0.513 1
1 465 . 6 1 1 A 37 37 THR CA C 37 65.381 65.222 0.159 1
1 466 . 6 1 1 A 37 37 THR HA H 37 3.980 4.004 -0.024 1
1 467 . 6 1 1 A 37 37 THR CB C 37 69.489 69.010 0.479 1
1 473 . 6 1 1 A 37 37 THR C C 37 175.249 174.549 0.700 1
1 474 . 6 1 1 A 38 38 ASN N N 38 122.469 117.593 4.876 1
1 475 . 6 1 1 A 38 38 ASN H H 38 8.681 8.331 0.350 1
1 476 . 6 1 1 A 38 38 ASN CA C 38 53.337 52.445 0.892 1
1 477 . 6 1 1 A 38 38 ASN HA H 38 4.867 5.059 -0.192 1
1 478 . 6 1 1 A 38 38 ASN CB C 38 40.376 40.140 0.236 1
1 484 . 6 1 1 A 38 38 ASN C C 38 174.599 174.859 -0.260 1
1 485 . 6 1 1 A 39 39 LYS N N 39 120.915 120.644 0.271 1
1 486 . 6 1 1 A 39 39 LYS H H 39 8.516 8.932 -0.416 1
1 487 . 6 1 1 A 39 39 LYS CA C 39 58.333 56.773 1.560 1
1 488 . 6 1 1 A 39 39 LYS HA H 39 4.247 4.658 -0.411 1
1 489 . 6 1 1 A 39 39 LYS CB C 39 32.371 33.330 -0.959 1
1 499 . 6 1 1 A 39 39 LYS C C 39 176.268 177.670 -1.402 1
1 500 . 6 1 1 A 40 40 ASP N N 40 114.512 117.350 -2.838 1
1 501 . 6 1 1 A 40 40 ASP H H 40 8.210 7.830 0.380 1
1 502 . 6 1 1 A 40 40 ASP CA C 40 55.083 55.805 -0.722 1
1 503 . 6 1 1 A 40 40 ASP HA H 40 4.544 4.333 0.211 1
1 504 . 6 1 1 A 40 40 ASP CB C 40 43.014 41.928 1.086 1
1 507 . 6 1 1 A 40 40 ASP C C 40 176.852 175.669 1.183 1
1 508 . 6 1 1 A 41 41 TRP N N 41 122.703 116.326 6.377 1
1 509 . 6 1 1 A 41 41 TRP H H 41 8.212 8.065 0.147 1
1 510 . 6 1 1 A 41 41 TRP CA C 41 56.005 56.016 -0.011 1
1 511 . 6 1 1 A 41 41 TRP HA H 41 5.078 5.246 -0.168 1
1 512 . 6 1 1 A 41 41 TRP CB C 41 32.019 30.259 1.760 1
1 527 . 6 1 1 A 41 41 TRP C C 41 174.166 175.807 -1.641 1
1 528 . 6 1 1 A 42 42 TRP N N 42 124.905 124.625 0.280 1
1 529 . 6 1 1 A 42 42 TRP H H 42 9.380 9.438 -0.058 1
1 530 . 6 1 1 A 42 42 TRP CA C 42 53.861 55.821 -1.960 1
1 531 . 6 1 1 A 42 42 TRP HA H 42 5.523 5.157 0.366 1
1 532 . 6 1 1 A 42 42 TRP CB C 42 31.543 31.298 0.245 1
1 547 . 6 1 1 A 42 42 TRP C C 42 174.144 176.082 -1.938 1
1 548 . 6 1 1 A 43 43 LYS N N 43 124.120 123.553 0.567 1
1 549 . 6 1 1 A 43 43 LYS H H 43 8.896 9.178 -0.282 1
1 550 . 6 1 1 A 43 43 LYS CA C 43 55.231 55.956 -0.725 1
1 551 . 6 1 1 A 43 43 LYS HA H 43 4.396 4.978 -0.582 1
1 552 . 6 1 1 A 43 43 LYS CB C 43 34.366 33.389 0.977 1
1 564 . 6 1 1 A 43 43 LYS C C 43 175.423 176.036 -0.613 1
1 565 . 6 1 1 A 44 44 VAL N N 44 121.984 117.837 4.147 1
1 566 . 6 1 1 A 44 44 VAL H H 44 9.430 8.893 0.537 1
1 567 . 6 1 1 A 44 44 VAL CA C 44 58.751 58.666 0.085 1
1 568 . 6 1 1 A 44 44 VAL HA H 44 5.375 5.121 0.254 1
1 569 . 6 1 1 A 44 44 VAL CB C 44 36.378 35.615 0.763 1
1 579 . 6 1 1 A 44 44 VAL C C 44 173.234 173.422 -0.188 1
1 580 . 6 1 1 A 45 45 GLU N N 45 118.425 122.396 -3.971 1
1 581 . 6 1 1 A 45 45 GLU H H 45 8.757 9.153 -0.396 1
1 582 . 6 1 1 A 45 45 GLU CA C 45 54.139 54.856 -0.717 1
1 583 . 6 1 1 A 45 45 GLU HA H 45 5.423 5.502 -0.079 1
1 584 . 6 1 1 A 45 45 GLU CB C 45 32.891 32.944 -0.053 1
1 590 . 6 1 1 A 45 45 GLU C C 45 174.621 175.450 -0.829 1
1 591 . 6 1 1 A 46 46 VAL N N 46 123.694 119.699 3.995 1
1 592 . 6 1 1 A 46 46 VAL H H 46 9.089 8.952 0.137 1
1 593 . 6 1 1 A 46 46 VAL CA C 46 59.627 59.096 0.531 1
1 594 . 6 1 1 A 46 46 VAL HA H 46 4.669 5.099 -0.430 1
1 595 . 6 1 1 A 46 46 VAL CB C 46 35.290 36.265 -0.975 1
1 604 . 6 1 1 A 46 46 VAL C C 46 173.234 173.592 -0.358 1
1 605 . 6 1 1 A 47 47 LYS N N 47 124.893 121.244 3.649 1
1 606 . 6 1 1 A 47 47 LYS H H 47 8.455 8.593 -0.138 1
1 607 . 6 1 1 A 47 47 LYS CA C 47 55.404 54.814 0.590 1
1 608 . 6 1 1 A 47 47 LYS HA H 47 5.022 5.572 -0.550 1
1 609 . 6 1 1 A 47 47 LYS CB C 47 33.959 36.214 -2.255 1
1 619 . 6 1 1 A 47 47 LYS C C 47 175.899 174.852 1.047 1
1 620 . 6 1 1 A 48 48 ILE N N 48 124.447 126.199 -1.752 1
1 621 . 6 1 1 A 48 48 ILE H H 48 8.989 9.058 -0.069 1
1 622 . 6 1 1 A 48 48 ILE CA C 48 59.646 60.158 -0.512 1
1 623 . 6 1 1 A 48 48 ILE HA H 48 4.529 4.926 -0.397 1
1 624 . 6 1 1 A 48 48 ILE CB C 48 41.170 41.477 -0.307 1
1 637 . 6 1 1 A 48 48 ILE C C 48 174.144 174.913 -0.769 1
1 638 . 6 1 1 A 49 49 THR N N 49 121.012 123.479 -2.467 1
1 639 . 6 1 1 A 49 49 THR H H 49 8.570 8.909 -0.339 1
1 640 . 6 1 1 A 49 49 THR CA C 49 61.301 62.160 -0.859 1
1 641 . 6 1 1 A 49 49 THR HA H 49 5.272 4.876 0.396 1
1 642 . 6 1 1 A 49 49 THR CB C 49 69.853 69.169 0.684 1
1 648 . 6 1 1 A 49 49 THR C C 49 174.318 174.123 0.195 1
1 649 . 6 1 1 A 50 50 VAL N N 50 126.754 126.883 -0.129 1
1 650 . 6 1 1 A 50 50 VAL H H 50 9.104 9.055 0.049 1
1 651 . 6 1 1 A 50 50 VAL CA C 50 61.070 61.365 -0.295 1
1 652 . 6 1 1 A 50 50 VAL HA H 50 4.292 4.455 -0.163 1
1 653 . 6 1 1 A 50 50 VAL CB C 50 34.452 34.489 -0.037 1
1 663 . 6 1 1 A 50 50 VAL C C 50 175.899 176.203 -0.304 1
1 664 . 6 1 1 A 51 51 ASN N N 51 127.590 126.079 1.511 1
1 665 . 6 1 1 A 51 51 ASN H H 51 9.619 9.573 0.046 1
1 666 . 6 1 1 A 51 51 ASN CA C 51 54.177 54.347 -0.170 1
1 667 . 6 1 1 A 51 51 ASN HA H 51 4.390 4.411 -0.021 1
1 668 . 6 1 1 A 51 51 ASN CB C 51 37.413 37.476 -0.063 1
1 671 . 6 1 1 A 51 51 ASN C C 51 175.249 174.608 0.641 1
1 672 . 6 1 1 A 52 52 GLY N N 52 102.845 104.095 -1.250 1
1 673 . 6 1 1 A 52 52 GLY H H 52 8.535 8.693 -0.158 1
1 674 . 6 1 1 A 52 52 GLY CA C 52 45.443 45.328 0.115 1
1 675 . 6 1 1 A 52 52 GLY HA2 H 52 3.555 3.880 -0.325 1
1 676 . 6 1 1 A 52 52 GLY HA3 H 52 4.120 3.883 0.237 1
1 677 . 6 1 1 A 52 52 GLY C C 52 176.398 173.725 2.673 1
1 678 . 6 1 1 A 53 53 LYS N N 53 121.989 120.961 1.028 1
1 679 . 6 1 1 A 53 53 LYS H H 53 7.849 8.182 -0.333 1
1 680 . 6 1 1 A 53 53 LYS CA C 53 54.807 55.087 -0.280 1
1 681 . 6 1 1 A 53 53 LYS HA H 53 4.641 4.395 0.246 1
1 682 . 6 1 1 A 53 53 LYS CB C 53 34.440 33.705 0.735 1
1 694 . 6 1 1 A 53 53 LYS C C 53 174.513 176.052 -1.539 1
1 695 . 6 1 1 A 54 54 THR N N 54 118.860 117.551 1.309 1
1 696 . 6 1 1 A 54 54 THR H H 54 8.445 8.439 0.006 1
1 697 . 6 1 1 A 54 54 THR CA C 54 62.074 61.830 0.244 1
1 698 . 6 1 1 A 54 54 THR HA H 54 5.167 4.463 0.704 1
1 699 . 6 1 1 A 54 54 THR CB C 54 70.071 69.588 0.483 1
1 705 . 6 1 1 A 54 54 THR C C 54 173.689 173.958 -0.269 1
1 706 . 6 1 1 A 55 55 TYR N N 55 125.966 123.607 2.359 1
1 707 . 6 1 1 A 55 55 TYR H H 55 9.319 9.670 -0.351 1
1 708 . 6 1 1 A 55 55 TYR CA C 55 56.507 56.402 0.105 1
1 709 . 6 1 1 A 55 55 TYR HA H 55 4.767 5.235 -0.468 1
1 710 . 6 1 1 A 55 55 TYR CB C 55 40.591 42.657 -2.066 1
1 721 . 6 1 1 A 55 55 TYR C C 55 173.538 175.098 -1.560 1
1 722 . 6 1 1 A 56 56 GLU N N 56 119.827 120.131 -0.304 1
1 723 . 6 1 1 A 56 56 GLU H H 56 8.568 8.823 -0.255 1
1 724 . 6 1 1 A 56 56 GLU CA C 56 54.503 55.312 -0.809 1
1 725 . 6 1 1 A 56 56 GLU HA H 56 5.247 5.404 -0.157 1
1 726 . 6 1 1 A 56 56 GLU CB C 56 30.297 33.479 -3.182 1
1 732 . 6 1 1 A 56 56 GLU C C 56 175.726 175.262 0.464 1
1 733 . 6 1 1 A 57 57 ARG N N 57 123.399 120.113 3.286 1
1 734 . 6 1 1 A 57 57 ARG H H 57 8.971 8.405 0.566 1
1 735 . 6 1 1 A 57 57 ARG CA C 57 54.944 54.861 0.083 1
1 736 . 6 1 1 A 57 57 ARG HA H 57 4.710 5.115 -0.405 1
1 737 . 6 1 1 A 57 57 ARG CB C 57 33.362 34.089 -0.727 1
1 746 . 6 1 1 A 57 57 ARG C C 57 174.166 174.062 0.104 1
1 747 . 6 1 1 A 58 58 GLN N N 58 120.188 119.643 0.545 1
1 748 . 6 1 1 A 58 58 GLN H H 58 8.634 8.595 0.039 1
1 749 . 6 1 1 A 58 58 GLN CA C 58 53.251 54.407 -1.156 1
1 750 . 6 1 1 A 58 58 GLN HA H 58 5.602 5.347 0.255 1
1 751 . 6 1 1 A 58 58 GLN CB C 58 31.229 31.529 -0.300 1
1 760 . 6 1 1 A 58 58 GLN C C 58 175.726 174.303 1.423 1
1 761 . 6 1 1 A 59 59 GLY N N 59 107.196 108.752 -1.556 1
1 762 . 6 1 1 A 59 59 GLY H H 59 8.644 8.952 -0.308 1
1 763 . 6 1 1 A 59 59 GLY CA C 59 45.583 44.457 1.126 1
1 764 . 6 1 1 A 59 59 GLY HA2 H 59 3.947 4.169 -0.222 1
1 765 . 6 1 1 A 59 59 GLY HA3 H 59 3.947 4.370 -0.423 1
1 766 . 6 1 1 A 59 59 GLY C C 59 170.223 171.775 -1.552 1
1 767 . 6 1 1 A 60 60 PHE N N 60 119.079 118.852 0.227 1
1 768 . 6 1 1 A 60 60 PHE H H 60 9.178 8.677 0.501 1
1 769 . 6 1 1 A 60 60 PHE CA C 60 58.544 57.132 1.412 1
1 770 . 6 1 1 A 60 60 PHE HA H 60 5.668 5.481 0.187 1
1 771 . 6 1 1 A 60 60 PHE CB C 60 42.484 41.425 1.059 1
1 784 . 6 1 1 A 60 60 PHE C C 60 175.423 175.891 -0.468 1
1 785 . 6 1 1 A 61 61 VAL N N 61 111.060 117.114 -6.054 1
1 786 . 6 1 1 A 61 61 VAL H H 61 9.089 9.057 0.032 1
1 787 . 6 1 1 A 61 61 VAL CA C 61 58.189 58.360 -0.171 1
1 788 . 6 1 1 A 61 61 VAL HA H 61 4.833 4.990 -0.157 1
1 789 . 6 1 1 A 61 61 VAL CB C 61 33.744 34.872 -1.128 1
1 800 . 6 1 1 A 62 62 PRO CA C 62 61.852 62.123 -0.271 1
1 801 . 6 1 1 A 62 62 PRO HA H 62 3.572 4.288 -0.716 1
1 802 . 6 1 1 A 62 62 PRO CB C 62 29.704 30.848 -1.144 1
1 810 . 6 1 1 A 62 62 PRO C C 62 177.719 177.506 0.213 1
1 811 . 6 1 1 A 63 63 ALA N N 63 129.142 128.366 0.776 1
1 812 . 6 1 1 A 63 63 ALA H H 63 7.477 8.390 -0.913 1
1 813 . 6 1 1 A 63 63 ALA CA C 63 54.472 54.401 0.071 1
1 814 . 6 1 1 A 63 63 ALA HA H 63 2.655 3.695 -1.040 1
1 818 . 6 1 1 A 63 63 ALA CB C 63 15.740 16.966 -1.226 1
1 819 . 6 1 1 A 63 63 ALA C C 63 178.434 179.441 -1.007 1
1 820 . 6 1 1 A 64 64 ALA N N 64 113.410 119.242 -5.832 1
1 821 . 6 1 1 A 64 64 ALA H H 64 7.857 8.050 -0.193 1
1 822 . 6 1 1 A 64 64 ALA CA C 64 52.991 54.145 -1.154 1
1 823 . 6 1 1 A 64 64 ALA HA H 64 4.006 3.995 0.011 1
1 827 . 6 1 1 A 64 64 ALA CB C 64 17.605 18.266 -0.661 1
1 828 . 6 1 1 A 64 64 ALA C C 64 178.109 178.220 -0.111 1
1 829 . 6 1 1 A 65 65 TYR N N 65 116.059 116.805 -0.746 1
1 830 . 6 1 1 A 65 65 TYR H H 65 7.705 7.973 -0.268 1
1 831 . 6 1 1 A 65 65 TYR CA C 65 56.477 58.028 -1.551 1
1 832 . 6 1 1 A 65 65 TYR HA H 65 4.758 4.794 -0.036 1
1 833 . 6 1 1 A 65 65 TYR CB C 65 37.765 39.147 -1.382 1
1 844 . 6 1 1 A 65 65 TYR C C 65 174.361 175.493 -1.132 1
1 845 . 6 1 1 A 66 66 VAL N N 66 111.003 115.443 -4.440 1
1 846 . 6 1 1 A 66 66 VAL H H 66 7.422 7.629 -0.207 1
1 847 . 6 1 1 A 66 66 VAL CA C 66 58.268 59.092 -0.824 1
1 848 . 6 1 1 A 66 66 VAL HA H 66 5.547 5.037 0.510 1
1 849 . 6 1 1 A 66 66 VAL CB C 66 35.809 36.613 -0.804 1
1 859 . 6 1 1 A 66 66 VAL C C 66 173.538 173.818 -0.280 1
1 860 . 6 1 1 A 67 67 LYS N N 67 118.514 119.892 -1.378 1
1 861 . 6 1 1 A 67 67 LYS H H 67 8.636 8.988 -0.352 1
1 862 . 6 1 1 A 67 67 LYS CA C 67 53.828 54.516 -0.688 1
1 863 . 6 1 1 A 67 67 LYS HA H 67 4.840 5.091 -0.251 1
1 864 . 6 1 1 A 67 67 LYS CB C 67 36.636 35.987 0.649 1
1 876 . 6 1 1 A 67 67 LYS C C 67 176.029 174.534 1.495 1
1 877 . 6 1 1 A 68 68 LYS N N 68 125.817 123.354 2.463 1
1 878 . 6 1 1 A 68 68 LYS H H 68 9.246 8.825 0.421 1
1 879 . 6 1 1 A 68 68 LYS CA C 68 58.514 57.014 1.500 1
1 880 . 6 1 1 A 68 68 LYS HA H 68 4.494 4.310 0.184 1
1 881 . 6 1 1 A 68 68 LYS CB C 68 32.893 33.857 -0.964 1
1 891 . 6 1 1 A 68 68 LYS C C 68 176.679 177.527 -0.848 1
1 892 . 6 1 1 A 69 69 LEU N N 69 125.294 129.042 -3.748 1
1 893 . 6 1 1 A 69 69 LEU H H 69 8.506 8.816 -0.310 1
1 894 . 6 1 1 A 69 69 LEU CA C 69 54.873 58.601 -3.728 1
1 895 . 6 1 1 A 69 69 LEU HA H 69 4.429 4.035 0.394 1
1 896 . 6 1 1 A 69 69 LEU CB C 69 42.631 41.257 1.374 1
1 909 . 6 1 1 A 69 69 LEU C C 69 176.203 177.888 -1.685 1
1 10 . 7 1 1 A 2 2 ASP N N 2 123.392 120.598 2.794 1
1 11 . 7 1 1 A 2 2 ASP H H 2 8.830 8.157 0.673 1
1 12 . 7 1 1 A 2 2 ASP CA C 2 54.029 53.145 0.884 1
1 13 . 7 1 1 A 2 2 ASP HA H 2 4.699 4.865 -0.166 1
1 14 . 7 1 1 A 2 2 ASP CB C 2 40.198 39.628 0.570 1
1 17 . 7 1 1 A 2 2 ASP C C 2 175.639 175.794 -0.155 1
1 18 . 7 1 1 A 3 3 GLU N N 3 121.824 121.373 0.451 1
1 19 . 7 1 1 A 3 3 GLU H H 3 8.663 7.966 0.697 1
1 20 . 7 1 1 A 3 3 GLU CA C 3 56.162 55.609 0.553 1
1 21 . 7 1 1 A 3 3 GLU HA H 3 4.406 4.700 -0.294 1
1 22 . 7 1 1 A 3 3 GLU CB C 3 28.702 30.239 -1.537 1
1 28 . 7 1 1 A 3 3 GLU C C 3 176.354 176.647 -0.293 1
1 29 . 7 1 1 A 4 4 THR N N 4 114.607 112.429 2.178 1
1 30 . 7 1 1 A 4 4 THR H H 4 8.285 8.297 -0.012 1
1 31 . 7 1 1 A 4 4 THR CA C 4 62.425 61.941 0.484 1
1 32 . 7 1 1 A 4 4 THR HA H 4 4.267 4.654 -0.387 1
1 33 . 7 1 1 A 4 4 THR CB C 4 69.672 70.830 -1.158 1
1 39 . 7 1 1 A 4 4 THR C C 4 175.271 174.905 0.366 1
1 40 . 7 1 1 A 5 5 GLY N N 5 111.345 109.151 2.194 1
1 41 . 7 1 1 A 5 5 GLY H H 5 8.436 7.662 0.774 1
1 42 . 7 1 1 A 5 5 GLY CA C 5 45.297 45.650 -0.353 1
1 43 . 7 1 1 A 5 5 GLY HA2 H 5 3.942 4.043 -0.101 1
1 44 . 7 1 1 A 5 5 GLY HA3 H 5 3.942 4.043 -0.101 1
1 45 . 7 1 1 A 5 5 GLY C C 5 173.668 174.412 -0.744 1
1 46 . 7 1 1 A 6 6 LYS N N 6 119.783 120.889 -1.106 1
1 47 . 7 1 1 A 6 6 LYS H H 6 8.017 8.427 -0.410 1
1 48 . 7 1 1 A 6 6 LYS CA C 6 55.538 57.095 -1.557 1
1 49 . 7 1 1 A 6 6 LYS HA H 6 4.387 4.495 -0.108 1
1 50 . 7 1 1 A 6 6 LYS CB C 6 33.257 35.019 -1.762 1
1 62 . 7 1 1 A 6 6 LYS C C 6 176.029 175.741 0.288 1
1 63 . 7 1 1 A 7 7 GLU N N 7 122.414 116.553 5.861 1
1 64 . 7 1 1 A 7 7 GLU H H 7 8.584 7.757 0.827 1
1 65 . 7 1 1 A 7 7 GLU CA C 7 55.404 55.399 0.005 1
1 66 . 7 1 1 A 7 7 GLU HA H 7 4.495 4.685 -0.190 1
1 67 . 7 1 1 A 7 7 GLU CB C 7 30.382 31.380 -0.998 1
1 73 . 7 1 1 A 7 7 GLU C C 7 174.014 174.834 -0.820 1
1 74 . 7 1 1 A 8 8 LEU N N 8 122.989 126.033 -3.044 1
1 75 . 7 1 1 A 8 8 LEU H H 8 8.414 8.982 -0.568 1
1 76 . 7 1 1 A 8 8 LEU CA C 8 53.188 53.511 -0.323 1
1 77 . 7 1 1 A 8 8 LEU HA H 8 5.381 5.064 0.317 1
1 78 . 7 1 1 A 8 8 LEU CB C 8 45.173 43.969 1.204 1
1 90 . 7 1 1 A 8 8 LEU C C 8 177.329 176.217 1.112 1
1 91 . 7 1 1 A 9 9 VAL N N 9 111.709 118.336 -6.627 1
1 92 . 7 1 1 A 9 9 VAL H H 9 9.125 9.179 -0.054 1
1 93 . 7 1 1 A 9 9 VAL CA C 9 57.854 59.456 -1.602 1
1 94 . 7 1 1 A 9 9 VAL HA H 9 5.232 4.930 0.302 1
1 95 . 7 1 1 A 9 9 VAL CB C 9 35.864 35.482 0.382 1
1 105 . 7 1 1 A 9 9 VAL C C 9 172.368 173.905 -1.537 1
1 106 . 7 1 1 A 10 10 LEU N N 10 123.520 126.753 -3.233 1
1 107 . 7 1 1 A 10 10 LEU H H 10 8.989 9.104 -0.115 1
1 108 . 7 1 1 A 10 10 LEU CA C 10 52.445 53.210 -0.765 1
1 109 . 7 1 1 A 10 10 LEU HA H 10 5.113 5.498 -0.385 1
1 110 . 7 1 1 A 10 10 LEU CB C 10 46.776 45.083 1.693 1
1 123 . 7 1 1 A 10 10 LEU C C 10 176.549 175.398 1.151 1
1 124 . 7 1 1 A 11 11 ALA N N 11 127.272 128.098 -0.826 1
1 125 . 7 1 1 A 11 11 ALA H H 11 9.163 8.912 0.251 1
1 126 . 7 1 1 A 11 11 ALA CA C 11 52.416 51.938 0.478 1
1 127 . 7 1 1 A 11 11 ALA HA H 11 4.602 4.511 0.091 1
1 131 . 7 1 1 A 11 11 ALA CB C 11 19.274 19.135 0.139 1
1 132 . 7 1 1 A 11 11 ALA C C 11 178.282 176.727 1.555 1
1 133 . 7 1 1 A 12 12 LEU N N 12 127.769 124.666 3.103 1
1 134 . 7 1 1 A 12 12 LEU H H 12 9.257 9.221 0.036 1
1 135 . 7 1 1 A 12 12 LEU CA C 12 55.442 55.477 -0.035 1
1 136 . 7 1 1 A 12 12 LEU HA H 12 3.898 4.359 -0.461 1
1 137 . 7 1 1 A 12 12 LEU CB C 12 43.110 42.872 0.238 1
1 150 . 7 1 1 A 12 12 LEU C C 12 174.946 176.307 -1.361 1
1 151 . 7 1 1 A 13 13 TYR N N 13 111.673 116.616 -4.943 1
1 152 . 7 1 1 A 13 13 TYR H H 13 7.129 8.043 -0.914 1
1 153 . 7 1 1 A 13 13 TYR CA C 13 54.720 56.556 -1.836 1
1 154 . 7 1 1 A 13 13 TYR HA H 13 4.633 5.050 -0.417 1
1 155 . 7 1 1 A 13 13 TYR CB C 13 43.043 41.667 1.376 1
1 166 . 7 1 1 A 13 13 TYR C C 13 173.668 175.204 -1.536 1
1 167 . 7 1 1 A 14 14 ASP N N 14 117.814 121.662 -3.848 1
1 168 . 7 1 1 A 14 14 ASP H H 14 8.347 8.808 -0.461 1
1 169 . 7 1 1 A 14 14 ASP CA C 14 54.571 53.792 0.779 1
1 170 . 7 1 1 A 14 14 ASP HA H 14 4.633 5.126 -0.493 1
1 171 . 7 1 1 A 14 14 ASP CB C 14 41.136 41.600 -0.464 1
1 174 . 7 1 1 A 14 14 ASP C C 14 176.051 175.299 0.752 1
1 175 . 7 1 1 A 15 15 TYR N N 15 120.213 123.928 -3.715 1
1 176 . 7 1 1 A 15 15 TYR H H 15 8.748 9.246 -0.498 1
1 177 . 7 1 1 A 15 15 TYR CA C 15 59.454 57.235 2.219 1
1 178 . 7 1 1 A 15 15 TYR HA H 15 4.654 5.393 -0.739 1
1 179 . 7 1 1 A 15 15 TYR CB C 15 43.400 42.624 0.776 1
1 190 . 7 1 1 A 15 15 TYR C C 15 172.758 173.899 -1.141 1
1 191 . 7 1 1 A 16 16 GLN N N 16 126.986 122.544 4.442 1
1 192 . 7 1 1 A 16 16 GLN H H 16 7.558 7.696 -0.138 1
1 193 . 7 1 1 A 16 16 GLN CA C 16 53.534 53.327 0.207 1
1 194 . 7 1 1 A 16 16 GLN HA H 16 4.500 4.971 -0.471 1
1 195 . 7 1 1 A 16 16 GLN CB C 16 29.071 32.343 -3.272 1
1 204 . 7 1 1 A 16 16 GLN C C 16 173.863 174.053 -0.190 1
1 205 . 7 1 1 A 17 17 GLU N N 17 123.063 120.483 2.580 1
1 206 . 7 1 1 A 17 17 GLU H H 17 7.979 8.376 -0.397 1
1 207 . 7 1 1 A 17 17 GLU CA C 17 55.935 55.444 0.491 1
1 208 . 7 1 1 A 17 17 GLU HA H 17 4.182 4.793 -0.611 1
1 209 . 7 1 1 A 17 17 GLU CB C 17 28.948 31.298 -2.350 1
1 215 . 7 1 1 A 17 17 GLU C C 17 175.899 176.561 -0.662 1
1 216 . 7 1 1 A 18 18 LYS N N 18 120.853 119.532 1.321 1
1 217 . 7 1 1 A 18 18 LYS H H 18 8.771 8.752 0.019 1
1 218 . 7 1 1 A 18 18 LYS CA C 18 55.393 56.419 -1.026 1
1 219 . 7 1 1 A 18 18 LYS HA H 18 4.390 4.618 -0.228 1
1 220 . 7 1 1 A 18 18 LYS CB C 18 33.393 34.725 -1.332 1
1 232 . 7 1 1 A 18 18 LYS C C 18 176.138 176.130 0.008 1
1 233 . 7 1 1 A 19 19 SER N N 19 115.089 115.466 -0.377 1
1 234 . 7 1 1 A 19 19 SER H H 19 7.658 7.962 -0.304 1
1 235 . 7 1 1 A 19 19 SER CA C 19 56.821 55.811 1.010 1
1 236 . 7 1 1 A 19 19 SER HA H 19 4.863 4.833 0.030 1
1 237 . 7 1 1 A 19 19 SER CB C 19 64.208 64.842 -0.634 1
1 241 . 7 1 1 A 20 20 PRO CA C 20 64.803 64.322 0.481 1
1 242 . 7 1 1 A 20 20 PRO HA H 20 4.521 4.516 0.005 1
1 243 . 7 1 1 A 20 20 PRO CB C 20 31.657 31.721 -0.064 1
1 251 . 7 1 1 A 20 20 PRO C C 20 176.657 177.310 -0.653 1
1 252 . 7 1 1 A 21 21 ARG N N 21 113.827 116.745 -2.918 1
1 253 . 7 1 1 A 21 21 ARG H H 21 7.694 8.081 -0.387 1
1 254 . 7 1 1 A 21 21 ARG CA C 21 56.119 56.896 -0.777 1
1 255 . 7 1 1 A 21 21 ARG HA H 21 4.593 4.456 0.137 1
1 256 . 7 1 1 A 21 21 ARG CB C 21 30.299 31.707 -1.408 1
1 265 . 7 1 1 A 21 21 ARG C C 21 173.386 176.349 -2.963 1
1 266 . 7 1 1 A 22 22 GLU N N 22 121.389 118.360 3.029 1
1 267 . 7 1 1 A 22 22 GLU H H 22 7.850 7.960 -0.110 1
1 268 . 7 1 1 A 22 22 GLU CA C 22 54.951 55.671 -0.720 1
1 269 . 7 1 1 A 22 22 GLU HA H 22 5.487 4.708 0.779 1
1 270 . 7 1 1 A 22 22 GLU CB C 22 33.588 30.849 2.739 1
1 276 . 7 1 1 A 22 22 GLU C C 22 174.491 176.113 -1.622 1
1 277 . 7 1 1 A 23 23 VAL N N 23 113.069 118.922 -5.853 1
1 278 . 7 1 1 A 23 23 VAL H H 23 7.410 8.923 -1.513 1
1 279 . 7 1 1 A 23 23 VAL CA C 23 59.793 59.620 0.173 1
1 280 . 7 1 1 A 23 23 VAL HA H 23 4.531 4.956 -0.425 1
1 281 . 7 1 1 A 23 23 VAL CB C 23 34.667 34.961 -0.294 1
1 291 . 7 1 1 A 23 23 VAL C C 23 172.541 174.505 -1.964 1
1 292 . 7 1 1 A 24 24 THR N N 24 118.283 119.228 -0.945 1
1 293 . 7 1 1 A 24 24 THR H H 24 7.362 8.358 -0.996 1
1 294 . 7 1 1 A 24 24 THR CA C 24 61.708 62.468 -0.760 1
1 295 . 7 1 1 A 24 24 THR HA H 24 5.085 4.924 0.161 1
1 296 . 7 1 1 A 24 24 THR CB C 24 70.934 69.544 1.390 1
1 302 . 7 1 1 A 24 24 THR C C 24 174.274 174.461 -0.187 1
1 303 . 7 1 1 A 25 25 MET N N 25 121.971 124.072 -2.101 1
1 304 . 7 1 1 A 25 25 MET H H 25 9.523 9.379 0.144 1
1 305 . 7 1 1 A 25 25 MET CA C 25 54.328 53.135 1.193 1
1 306 . 7 1 1 A 25 25 MET HA H 25 4.929 5.590 -0.661 1
1 307 . 7 1 1 A 25 25 MET CB C 25 36.287 36.062 0.225 1
1 317 . 7 1 1 A 25 25 MET C C 25 173.841 174.790 -0.949 1
1 318 . 7 1 1 A 26 26 LYS N N 26 124.399 119.132 5.267 1
1 319 . 7 1 1 A 26 26 LYS H H 26 8.820 8.800 0.020 1
1 320 . 7 1 1 A 26 26 LYS CA C 26 53.699 54.361 -0.662 1
1 321 . 7 1 1 A 26 26 LYS HA H 26 4.879 4.955 -0.076 1
1 322 . 7 1 1 A 26 26 LYS CB C 26 34.097 36.654 -2.557 1
1 332 . 7 1 1 A 26 26 LYS C C 26 174.968 176.598 -1.630 1
1 333 . 7 1 1 A 27 27 LYS N N 27 122.619 121.537 1.082 1
1 334 . 7 1 1 A 27 27 LYS H H 27 9.013 8.710 0.303 1
1 335 . 7 1 1 A 27 27 LYS CA C 27 58.078 58.691 -0.613 1
1 336 . 7 1 1 A 27 27 LYS HA H 27 4.837 3.915 0.922 1
1 337 . 7 1 1 A 27 27 LYS CB C 27 32.269 32.106 0.163 1
1 349 . 7 1 1 A 27 27 LYS C C 27 177.307 177.303 0.004 1
1 350 . 7 1 1 A 28 28 GLY N N 28 115.785 112.573 3.212 1
1 351 . 7 1 1 A 28 28 GLY H H 28 8.902 9.058 -0.156 1
1 352 . 7 1 1 A 28 28 GLY CA C 28 44.564 44.855 -0.291 1
1 353 . 7 1 1 A 28 28 GLY HA2 H 28 3.538 3.975 -0.437 1
1 354 . 7 1 1 A 28 28 GLY HA3 H 28 4.481 3.977 0.504 1
1 355 . 7 1 1 A 28 28 GLY C C 28 174.014 174.263 -0.249 1
1 356 . 7 1 1 A 29 29 ASP N N 29 122.243 121.759 0.484 1
1 357 . 7 1 1 A 29 29 ASP H H 29 8.511 8.412 0.099 1
1 358 . 7 1 1 A 29 29 ASP CA C 29 55.353 54.031 1.322 1
1 359 . 7 1 1 A 29 29 ASP HA H 29 4.523 4.691 -0.168 1
1 360 . 7 1 1 A 29 29 ASP CB C 29 41.146 42.154 -1.008 1
1 363 . 7 1 1 A 29 29 ASP C C 29 174.274 175.660 -1.386 1
1 364 . 7 1 1 A 30 30 ILE N N 30 120.587 126.469 -5.882 1
1 365 . 7 1 1 A 30 30 ILE H H 30 8.227 8.658 -0.431 1
1 366 . 7 1 1 A 30 30 ILE CA C 30 60.366 60.050 0.316 1
1 367 . 7 1 1 A 30 30 ILE HA H 30 5.036 4.976 0.060 1
1 368 . 7 1 1 A 30 30 ILE CB C 30 38.210 39.648 -1.438 1
1 381 . 7 1 1 A 30 30 ILE C C 30 176.246 175.022 1.224 1
1 382 . 7 1 1 A 31 31 LEU N N 31 128.265 127.901 0.364 1
1 383 . 7 1 1 A 31 31 LEU H H 31 9.353 9.126 0.227 1
1 384 . 7 1 1 A 31 31 LEU CA C 31 53.414 53.328 0.086 1
1 385 . 7 1 1 A 31 31 LEU HA H 31 5.010 5.022 -0.012 1
1 386 . 7 1 1 A 31 31 LEU CB C 31 43.893 45.696 -1.803 1
1 397 . 7 1 1 A 31 31 LEU C C 31 175.596 175.600 -0.004 1
1 398 . 7 1 1 A 32 32 THR N N 32 117.027 117.945 -0.918 1
1 399 . 7 1 1 A 32 32 THR H H 32 8.146 8.625 -0.479 1
1 400 . 7 1 1 A 32 32 THR CA C 32 63.046 62.090 0.956 1
1 401 . 7 1 1 A 32 32 THR HA H 32 4.629 4.760 -0.131 1
1 402 . 7 1 1 A 32 32 THR CB C 32 69.576 69.020 0.556 1
1 408 . 7 1 1 A 32 32 THR C C 32 173.559 174.610 -1.051 1
1 409 . 7 1 1 A 33 33 LEU N N 33 129.212 128.990 0.222 1
1 410 . 7 1 1 A 33 33 LEU H H 33 9.070 8.409 0.661 1
1 411 . 7 1 1 A 33 33 LEU CA C 33 54.894 55.857 -0.963 1
1 412 . 7 1 1 A 33 33 LEU HA H 33 4.351 4.357 -0.006 1
1 413 . 7 1 1 A 33 33 LEU CB C 33 43.191 42.053 1.138 1
1 426 . 7 1 1 A 33 33 LEU C C 33 174.513 176.567 -2.054 1
1 427 . 7 1 1 A 34 34 LEU N N 34 125.818 129.239 -3.421 1
1 428 . 7 1 1 A 34 34 LEU H H 34 9.060 8.912 0.148 1
1 429 . 7 1 1 A 34 34 LEU CA C 34 54.885 55.856 -0.971 1
1 430 . 7 1 1 A 34 34 LEU HA H 34 4.523 4.402 0.121 1
1 431 . 7 1 1 A 34 34 LEU CB C 34 42.990 43.221 -0.231 1
1 443 . 7 1 1 A 34 34 LEU C C 34 177.502 176.023 1.479 1
1 444 . 7 1 1 A 35 35 ASN N N 35 114.008 117.549 -3.541 1
1 445 . 7 1 1 A 35 35 ASN H H 35 7.617 8.192 -0.575 1
1 446 . 7 1 1 A 35 35 ASN CA C 35 54.502 52.145 2.357 1
1 447 . 7 1 1 A 35 35 ASN HA H 35 4.736 4.993 -0.257 1
1 448 . 7 1 1 A 35 35 ASN CB C 35 40.933 41.378 -0.445 1
1 454 . 7 1 1 A 35 35 ASN C C 35 174.318 174.627 -0.309 1
1 455 . 7 1 1 A 36 36 SER N N 36 123.608 117.743 5.865 1
1 456 . 7 1 1 A 36 36 SER H H 36 9.172 8.339 0.833 1
1 457 . 7 1 1 A 36 36 SER CA C 36 56.915 56.971 -0.056 1
1 458 . 7 1 1 A 36 36 SER HA H 36 3.940 4.391 -0.451 1
1 459 . 7 1 1 A 36 36 SER CB C 36 62.042 62.500 -0.458 1
1 462 . 7 1 1 A 36 36 SER C C 36 173.364 175.276 -1.912 1
1 463 . 7 1 1 A 37 37 THR N N 37 115.130 115.725 -0.595 1
1 464 . 7 1 1 A 37 37 THR H H 37 8.184 7.685 0.499 1
1 465 . 7 1 1 A 37 37 THR CA C 37 65.381 65.440 -0.059 1
1 466 . 7 1 1 A 37 37 THR HA H 37 3.980 4.032 -0.052 1
1 467 . 7 1 1 A 37 37 THR CB C 37 69.489 69.037 0.452 1
1 473 . 7 1 1 A 37 37 THR C C 37 175.249 174.543 0.706 1
1 474 . 7 1 1 A 38 38 ASN N N 38 122.469 117.961 4.508 1
1 475 . 7 1 1 A 38 38 ASN H H 38 8.681 8.357 0.324 1
1 476 . 7 1 1 A 38 38 ASN CA C 38 53.337 52.384 0.953 1
1 477 . 7 1 1 A 38 38 ASN HA H 38 4.867 5.003 -0.136 1
1 478 . 7 1 1 A 38 38 ASN CB C 38 40.376 40.381 -0.005 1
1 484 . 7 1 1 A 38 38 ASN C C 38 174.599 174.871 -0.272 1
1 485 . 7 1 1 A 39 39 LYS N N 39 120.915 120.098 0.817 1
1 486 . 7 1 1 A 39 39 LYS H H 39 8.516 8.852 -0.336 1
1 487 . 7 1 1 A 39 39 LYS CA C 39 58.333 56.771 1.562 1
1 488 . 7 1 1 A 39 39 LYS HA H 39 4.247 4.725 -0.478 1
1 489 . 7 1 1 A 39 39 LYS CB C 39 32.371 33.570 -1.199 1
1 499 . 7 1 1 A 39 39 LYS C C 39 176.268 177.500 -1.232 1
1 500 . 7 1 1 A 40 40 ASP N N 40 114.512 117.316 -2.804 1
1 501 . 7 1 1 A 40 40 ASP H H 40 8.210 7.848 0.362 1
1 502 . 7 1 1 A 40 40 ASP CA C 40 55.083 55.884 -0.801 1
1 503 . 7 1 1 A 40 40 ASP HA H 40 4.544 4.335 0.209 1
1 504 . 7 1 1 A 40 40 ASP CB C 40 43.014 42.038 0.976 1
1 507 . 7 1 1 A 40 40 ASP C C 40 176.852 175.690 1.162 1
1 508 . 7 1 1 A 41 41 TRP N N 41 122.703 116.314 6.389 1
1 509 . 7 1 1 A 41 41 TRP H H 41 8.212 8.051 0.161 1
1 510 . 7 1 1 A 41 41 TRP CA C 41 56.005 55.878 0.127 1
1 511 . 7 1 1 A 41 41 TRP HA H 41 5.078 5.300 -0.222 1
1 512 . 7 1 1 A 41 41 TRP CB C 41 32.019 30.301 1.718 1
1 527 . 7 1 1 A 41 41 TRP C C 41 174.166 175.807 -1.641 1
1 528 . 7 1 1 A 42 42 TRP N N 42 124.905 124.608 0.297 1
1 529 . 7 1 1 A 42 42 TRP H H 42 9.380 9.451 -0.071 1
1 530 . 7 1 1 A 42 42 TRP CA C 42 53.861 55.721 -1.860 1
1 531 . 7 1 1 A 42 42 TRP HA H 42 5.523 5.158 0.365 1
1 532 . 7 1 1 A 42 42 TRP CB C 42 31.543 31.509 0.034 1
1 547 . 7 1 1 A 42 42 TRP C C 42 174.144 176.103 -1.959 1
1 548 . 7 1 1 A 43 43 LYS N N 43 124.120 123.571 0.549 1
1 549 . 7 1 1 A 43 43 LYS H H 43 8.896 9.124 -0.228 1
1 550 . 7 1 1 A 43 43 LYS CA C 43 55.231 55.840 -0.609 1
1 551 . 7 1 1 A 43 43 LYS HA H 43 4.396 4.829 -0.433 1
1 552 . 7 1 1 A 43 43 LYS CB C 43 34.366 33.048 1.318 1
1 564 . 7 1 1 A 43 43 LYS C C 43 175.423 176.029 -0.606 1
1 565 . 7 1 1 A 44 44 VAL N N 44 121.984 117.771 4.213 1
1 566 . 7 1 1 A 44 44 VAL H H 44 9.430 8.997 0.433 1
1 567 . 7 1 1 A 44 44 VAL CA C 44 58.751 58.598 0.153 1
1 568 . 7 1 1 A 44 44 VAL HA H 44 5.375 5.156 0.219 1
1 569 . 7 1 1 A 44 44 VAL CB C 44 36.378 35.455 0.923 1
1 579 . 7 1 1 A 44 44 VAL C C 44 173.234 173.754 -0.520 1
1 580 . 7 1 1 A 45 45 GLU N N 45 118.425 122.344 -3.919 1
1 581 . 7 1 1 A 45 45 GLU H H 45 8.757 9.149 -0.392 1
1 582 . 7 1 1 A 45 45 GLU CA C 45 54.139 55.347 -1.208 1
1 583 . 7 1 1 A 45 45 GLU HA H 45 5.423 5.344 0.079 1
1 584 . 7 1 1 A 45 45 GLU CB C 45 32.891 31.677 1.214 1
1 590 . 7 1 1 A 45 45 GLU C C 45 174.621 175.855 -1.234 1
1 591 . 7 1 1 A 46 46 VAL N N 46 123.694 119.500 4.194 1
1 592 . 7 1 1 A 46 46 VAL H H 46 9.089 8.949 0.140 1
1 593 . 7 1 1 A 46 46 VAL CA C 46 59.627 58.983 0.644 1
1 594 . 7 1 1 A 46 46 VAL HA H 46 4.669 5.079 -0.410 1
1 595 . 7 1 1 A 46 46 VAL CB C 46 35.290 36.268 -0.978 1
1 604 . 7 1 1 A 46 46 VAL C C 46 173.234 173.502 -0.268 1
1 605 . 7 1 1 A 47 47 LYS N N 47 124.893 121.562 3.331 1
1 606 . 7 1 1 A 47 47 LYS H H 47 8.455 8.608 -0.153 1
1 607 . 7 1 1 A 47 47 LYS CA C 47 55.404 54.689 0.715 1
1 608 . 7 1 1 A 47 47 LYS HA H 47 5.022 5.514 -0.492 1
1 609 . 7 1 1 A 47 47 LYS CB C 47 33.959 36.105 -2.146 1
1 619 . 7 1 1 A 47 47 LYS C C 47 175.899 175.110 0.789 1
1 620 . 7 1 1 A 48 48 ILE N N 48 124.447 126.121 -1.674 1
1 621 . 7 1 1 A 48 48 ILE H H 48 8.989 9.103 -0.114 1
1 622 . 7 1 1 A 48 48 ILE CA C 48 59.646 60.139 -0.493 1
1 623 . 7 1 1 A 48 48 ILE HA H 48 4.529 4.897 -0.368 1
1 624 . 7 1 1 A 48 48 ILE CB C 48 41.170 41.222 -0.052 1
1 637 . 7 1 1 A 48 48 ILE C C 48 174.144 174.920 -0.776 1
1 638 . 7 1 1 A 49 49 THR N N 49 121.012 122.979 -1.967 1
1 639 . 7 1 1 A 49 49 THR H H 49 8.570 8.937 -0.367 1
1 640 . 7 1 1 A 49 49 THR CA C 49 61.301 62.240 -0.939 1
1 641 . 7 1 1 A 49 49 THR HA H 49 5.272 5.011 0.261 1
1 642 . 7 1 1 A 49 49 THR CB C 49 69.853 69.019 0.834 1
1 648 . 7 1 1 A 49 49 THR C C 49 174.318 174.079 0.239 1
1 649 . 7 1 1 A 50 50 VAL N N 50 126.754 126.602 0.152 1
1 650 . 7 1 1 A 50 50 VAL H H 50 9.104 9.075 0.029 1
1 651 . 7 1 1 A 50 50 VAL CA C 50 61.070 61.345 -0.275 1
1 652 . 7 1 1 A 50 50 VAL HA H 50 4.292 4.591 -0.299 1
1 653 . 7 1 1 A 50 50 VAL CB C 50 34.452 33.979 0.473 1
1 663 . 7 1 1 A 50 50 VAL C C 50 175.899 176.490 -0.591 1
1 664 . 7 1 1 A 51 51 ASN N N 51 127.590 126.005 1.585 1
1 665 . 7 1 1 A 51 51 ASN H H 51 9.619 9.538 0.081 1
1 666 . 7 1 1 A 51 51 ASN CA C 51 54.177 54.205 -0.028 1
1 667 . 7 1 1 A 51 51 ASN HA H 51 4.390 4.428 -0.038 1
1 668 . 7 1 1 A 51 51 ASN CB C 51 37.413 37.523 -0.110 1
1 671 . 7 1 1 A 51 51 ASN C C 51 175.249 174.590 0.659 1
1 672 . 7 1 1 A 52 52 GLY N N 52 102.845 104.374 -1.529 1
1 673 . 7 1 1 A 52 52 GLY H H 52 8.535 8.565 -0.030 1
1 674 . 7 1 1 A 52 52 GLY CA C 52 45.443 45.465 -0.022 1
1 675 . 7 1 1 A 52 52 GLY HA2 H 52 3.555 3.852 -0.297 1
1 676 . 7 1 1 A 52 52 GLY HA3 H 52 4.120 3.855 0.265 1
1 677 . 7 1 1 A 52 52 GLY C C 52 176.398 173.252 3.146 1
1 678 . 7 1 1 A 53 53 LYS N N 53 121.989 121.719 0.270 1
1 679 . 7 1 1 A 53 53 LYS H H 53 7.849 7.852 -0.003 1
1 680 . 7 1 1 A 53 53 LYS CA C 53 54.807 54.798 0.009 1
1 681 . 7 1 1 A 53 53 LYS HA H 53 4.641 4.510 0.131 1
1 682 . 7 1 1 A 53 53 LYS CB C 53 34.440 33.908 0.532 1
1 694 . 7 1 1 A 53 53 LYS C C 53 174.513 175.634 -1.121 1
1 695 . 7 1 1 A 54 54 THR N N 54 118.860 116.898 1.962 1
1 696 . 7 1 1 A 54 54 THR H H 54 8.445 8.455 -0.010 1
1 697 . 7 1 1 A 54 54 THR CA C 54 62.074 61.753 0.321 1
1 698 . 7 1 1 A 54 54 THR HA H 54 5.167 4.467 0.700 1
1 699 . 7 1 1 A 54 54 THR CB C 54 70.071 69.549 0.522 1
1 705 . 7 1 1 A 54 54 THR C C 54 173.689 173.858 -0.169 1
1 706 . 7 1 1 A 55 55 TYR N N 55 125.966 122.656 3.310 1
1 707 . 7 1 1 A 55 55 TYR H H 55 9.319 9.477 -0.158 1
1 708 . 7 1 1 A 55 55 TYR CA C 55 56.507 56.360 0.147 1
1 709 . 7 1 1 A 55 55 TYR HA H 55 4.767 5.161 -0.394 1
1 710 . 7 1 1 A 55 55 TYR CB C 55 40.591 42.854 -2.263 1
1 721 . 7 1 1 A 55 55 TYR C C 55 173.538 175.144 -1.606 1
1 722 . 7 1 1 A 56 56 GLU N N 56 119.827 120.823 -0.996 1
1 723 . 7 1 1 A 56 56 GLU H H 56 8.568 8.851 -0.283 1
1 724 . 7 1 1 A 56 56 GLU CA C 56 54.503 55.210 -0.707 1
1 725 . 7 1 1 A 56 56 GLU HA H 56 5.247 5.311 -0.064 1
1 726 . 7 1 1 A 56 56 GLU CB C 56 30.297 33.582 -3.285 1
1 732 . 7 1 1 A 56 56 GLU C C 56 175.726 175.304 0.422 1
1 733 . 7 1 1 A 57 57 ARG N N 57 123.399 120.350 3.049 1
1 734 . 7 1 1 A 57 57 ARG H H 57 8.971 8.338 0.633 1
1 735 . 7 1 1 A 57 57 ARG CA C 57 54.944 54.789 0.155 1
1 736 . 7 1 1 A 57 57 ARG HA H 57 4.710 5.101 -0.391 1
1 737 . 7 1 1 A 57 57 ARG CB C 57 33.362 33.737 -0.375 1
1 746 . 7 1 1 A 57 57 ARG C C 57 174.166 174.368 -0.202 1
1 747 . 7 1 1 A 58 58 GLN N N 58 120.188 119.360 0.828 1
1 748 . 7 1 1 A 58 58 GLN H H 58 8.634 8.502 0.132 1
1 749 . 7 1 1 A 58 58 GLN CA C 58 53.251 54.382 -1.131 1
1 750 . 7 1 1 A 58 58 GLN HA H 58 5.602 5.308 0.294 1
1 751 . 7 1 1 A 58 58 GLN CB C 58 31.229 31.932 -0.703 1
1 760 . 7 1 1 A 58 58 GLN C C 58 175.726 175.083 0.643 1
1 761 . 7 1 1 A 59 59 GLY N N 59 107.196 107.172 0.024 1
1 762 . 7 1 1 A 59 59 GLY H H 59 8.644 8.830 -0.186 1
1 763 . 7 1 1 A 59 59 GLY CA C 59 45.583 44.788 0.795 1
1 764 . 7 1 1 A 59 59 GLY HA2 H 59 3.947 4.177 -0.230 1
1 765 . 7 1 1 A 59 59 GLY HA3 H 59 3.947 4.366 -0.419 1
1 766 . 7 1 1 A 59 59 GLY C C 59 170.223 171.688 -1.465 1
1 767 . 7 1 1 A 60 60 PHE N N 60 119.079 119.810 -0.731 1
1 768 . 7 1 1 A 60 60 PHE H H 60 9.178 8.272 0.906 1
1 769 . 7 1 1 A 60 60 PHE CA C 60 58.544 58.168 0.376 1
1 770 . 7 1 1 A 60 60 PHE HA H 60 5.668 5.177 0.491 1
1 771 . 7 1 1 A 60 60 PHE CB C 60 42.484 40.678 1.806 1
1 784 . 7 1 1 A 60 60 PHE C C 60 175.423 175.848 -0.425 1
1 785 . 7 1 1 A 61 61 VAL N N 61 111.060 117.175 -6.115 1
1 786 . 7 1 1 A 61 61 VAL H H 61 9.089 9.042 0.047 1
1 787 . 7 1 1 A 61 61 VAL CA C 61 58.189 58.371 -0.182 1
1 788 . 7 1 1 A 61 61 VAL HA H 61 4.833 5.004 -0.171 1
1 789 . 7 1 1 A 61 61 VAL CB C 61 33.744 34.948 -1.204 1
1 800 . 7 1 1 A 62 62 PRO CA C 62 61.852 62.136 -0.284 1
1 801 . 7 1 1 A 62 62 PRO HA H 62 3.572 4.305 -0.733 1
1 802 . 7 1 1 A 62 62 PRO CB C 62 29.704 30.862 -1.158 1
1 810 . 7 1 1 A 62 62 PRO C C 62 177.719 177.506 0.213 1
1 811 . 7 1 1 A 63 63 ALA N N 63 129.142 128.303 0.839 1
1 812 . 7 1 1 A 63 63 ALA H H 63 7.477 8.383 -0.906 1
1 813 . 7 1 1 A 63 63 ALA CA C 63 54.472 54.430 0.042 1
1 814 . 7 1 1 A 63 63 ALA HA H 63 2.655 3.672 -1.017 1
1 818 . 7 1 1 A 63 63 ALA CB C 63 15.740 17.052 -1.312 1
1 819 . 7 1 1 A 63 63 ALA C C 63 178.434 179.488 -1.054 1
1 820 . 7 1 1 A 64 64 ALA N N 64 113.410 119.246 -5.836 1
1 821 . 7 1 1 A 64 64 ALA H H 64 7.857 8.062 -0.205 1
1 822 . 7 1 1 A 64 64 ALA CA C 64 52.991 54.181 -1.190 1
1 823 . 7 1 1 A 64 64 ALA HA H 64 4.006 4.005 0.001 1
1 827 . 7 1 1 A 64 64 ALA CB C 64 17.605 18.250 -0.645 1
1 828 . 7 1 1 A 64 64 ALA C C 64 178.109 178.243 -0.134 1
1 829 . 7 1 1 A 65 65 TYR N N 65 116.059 116.798 -0.739 1
1 830 . 7 1 1 A 65 65 TYR H H 65 7.705 7.960 -0.255 1
1 831 . 7 1 1 A 65 65 TYR CA C 65 56.477 58.084 -1.607 1
1 832 . 7 1 1 A 65 65 TYR HA H 65 4.758 4.752 0.006 1
1 833 . 7 1 1 A 65 65 TYR CB C 65 37.765 39.134 -1.369 1
1 844 . 7 1 1 A 65 65 TYR C C 65 174.361 175.606 -1.245 1
1 845 . 7 1 1 A 66 66 VAL N N 66 111.003 115.496 -4.493 1
1 846 . 7 1 1 A 66 66 VAL H H 66 7.422 7.641 -0.219 1
1 847 . 7 1 1 A 66 66 VAL CA C 66 58.268 59.089 -0.821 1
1 848 . 7 1 1 A 66 66 VAL HA H 66 5.547 5.037 0.510 1
1 849 . 7 1 1 A 66 66 VAL CB C 66 35.809 36.709 -0.900 1
1 859 . 7 1 1 A 66 66 VAL C C 66 173.538 173.896 -0.358 1
1 860 . 7 1 1 A 67 67 LYS N N 67 118.514 119.245 -0.731 1
1 861 . 7 1 1 A 67 67 LYS H H 67 8.636 8.997 -0.361 1
1 862 . 7 1 1 A 67 67 LYS CA C 67 53.828 54.764 -0.936 1
1 863 . 7 1 1 A 67 67 LYS HA H 67 4.840 5.063 -0.223 1
1 864 . 7 1 1 A 67 67 LYS CB C 67 36.636 36.197 0.439 1
1 876 . 7 1 1 A 67 67 LYS C C 67 176.029 174.669 1.360 1
1 877 . 7 1 1 A 68 68 LYS N N 68 125.817 123.994 1.823 1
1 878 . 7 1 1 A 68 68 LYS H H 68 9.246 8.734 0.512 1
1 879 . 7 1 1 A 68 68 LYS CA C 68 58.514 57.035 1.479 1
1 880 . 7 1 1 A 68 68 LYS HA H 68 4.494 4.364 0.130 1
1 881 . 7 1 1 A 68 68 LYS CB C 68 32.893 33.486 -0.593 1
1 891 . 7 1 1 A 68 68 LYS C C 68 176.679 177.555 -0.876 1
1 892 . 7 1 1 A 69 69 LEU N N 69 125.294 128.712 -3.418 1
1 893 . 7 1 1 A 69 69 LEU H H 69 8.506 8.908 -0.402 1
1 894 . 7 1 1 A 69 69 LEU CA C 69 54.873 58.351 -3.478 1
1 895 . 7 1 1 A 69 69 LEU HA H 69 4.429 4.066 0.363 1
1 896 . 7 1 1 A 69 69 LEU CB C 69 42.631 41.466 1.165 1
1 909 . 7 1 1 A 69 69 LEU C C 69 176.203 178.197 -1.994 1
1 10 . 8 1 1 A 2 2 ASP N N 2 123.392 114.794 8.598 1
1 11 . 8 1 1 A 2 2 ASP H H 2 8.830 8.125 0.705 1
1 12 . 8 1 1 A 2 2 ASP CA C 2 54.029 53.285 0.744 1
1 13 . 8 1 1 A 2 2 ASP HA H 2 4.699 4.735 -0.036 1
1 14 . 8 1 1 A 2 2 ASP CB C 2 40.198 40.405 -0.207 1
1 17 . 8 1 1 A 2 2 ASP C C 2 175.639 175.850 -0.211 1
1 18 . 8 1 1 A 3 3 GLU N N 3 121.824 119.606 2.218 1
1 19 . 8 1 1 A 3 3 GLU H H 3 8.663 7.932 0.731 1
1 20 . 8 1 1 A 3 3 GLU CA C 3 56.162 55.413 0.749 1
1 21 . 8 1 1 A 3 3 GLU HA H 3 4.406 4.686 -0.280 1
1 22 . 8 1 1 A 3 3 GLU CB C 3 28.702 30.476 -1.774 1
1 28 . 8 1 1 A 3 3 GLU C C 3 176.354 175.677 0.677 1
1 29 . 8 1 1 A 4 4 THR N N 4 114.607 113.116 1.491 1
1 30 . 8 1 1 A 4 4 THR H H 4 8.285 8.080 0.205 1
1 31 . 8 1 1 A 4 4 THR CA C 4 62.425 62.281 0.144 1
1 32 . 8 1 1 A 4 4 THR HA H 4 4.267 4.460 -0.193 1
1 33 . 8 1 1 A 4 4 THR CB C 4 69.672 69.219 0.453 1
1 39 . 8 1 1 A 4 4 THR C C 4 175.271 174.976 0.295 1
1 40 . 8 1 1 A 5 5 GLY N N 5 111.345 110.739 0.606 1
1 41 . 8 1 1 A 5 5 GLY H H 5 8.436 7.805 0.631 1
1 42 . 8 1 1 A 5 5 GLY CA C 5 45.297 46.594 -1.297 1
1 43 . 8 1 1 A 5 5 GLY HA2 H 5 3.942 3.921 0.021 1
1 44 . 8 1 1 A 5 5 GLY HA3 H 5 3.942 3.921 0.021 1
1 45 . 8 1 1 A 5 5 GLY C C 5 173.668 175.046 -1.378 1
1 46 . 8 1 1 A 6 6 LYS N N 6 119.783 118.004 1.779 1
1 47 . 8 1 1 A 6 6 LYS H H 6 8.017 8.200 -0.183 1
1 48 . 8 1 1 A 6 6 LYS CA C 6 55.538 59.106 -3.568 1
1 49 . 8 1 1 A 6 6 LYS HA H 6 4.387 4.071 0.316 1
1 50 . 8 1 1 A 6 6 LYS CB C 6 33.257 32.526 0.731 1
1 62 . 8 1 1 A 6 6 LYS C C 6 176.029 177.322 -1.293 1
1 63 . 8 1 1 A 7 7 GLU N N 7 122.414 115.302 7.112 1
1 64 . 8 1 1 A 7 7 GLU H H 7 8.584 7.735 0.849 1
1 65 . 8 1 1 A 7 7 GLU CA C 7 55.404 56.225 -0.821 1
1 66 . 8 1 1 A 7 7 GLU HA H 7 4.495 4.502 -0.007 1
1 67 . 8 1 1 A 7 7 GLU CB C 7 30.382 30.051 0.331 1
1 73 . 8 1 1 A 7 7 GLU C C 7 174.014 174.670 -0.656 1
1 74 . 8 1 1 A 8 8 LEU N N 8 122.989 126.524 -3.535 1
1 75 . 8 1 1 A 8 8 LEU H H 8 8.414 8.672 -0.258 1
1 76 . 8 1 1 A 8 8 LEU CA C 8 53.188 54.020 -0.832 1
1 77 . 8 1 1 A 8 8 LEU HA H 8 5.381 4.976 0.405 1
1 78 . 8 1 1 A 8 8 LEU CB C 8 45.173 43.005 2.168 1
1 90 . 8 1 1 A 8 8 LEU C C 8 177.329 176.447 0.882 1
1 91 . 8 1 1 A 9 9 VAL N N 9 111.709 118.976 -7.267 1
1 92 . 8 1 1 A 9 9 VAL H H 9 9.125 9.181 -0.056 1
1 93 . 8 1 1 A 9 9 VAL CA C 9 57.854 59.554 -1.700 1
1 94 . 8 1 1 A 9 9 VAL HA H 9 5.232 4.915 0.317 1
1 95 . 8 1 1 A 9 9 VAL CB C 9 35.864 35.426 0.438 1
1 105 . 8 1 1 A 9 9 VAL C C 9 172.368 173.869 -1.501 1
1 106 . 8 1 1 A 10 10 LEU N N 10 123.520 127.328 -3.808 1
1 107 . 8 1 1 A 10 10 LEU H H 10 8.989 9.088 -0.099 1
1 108 . 8 1 1 A 10 10 LEU CA C 10 52.445 53.316 -0.871 1
1 109 . 8 1 1 A 10 10 LEU HA H 10 5.113 5.184 -0.071 1
1 110 . 8 1 1 A 10 10 LEU CB C 10 46.776 44.971 1.805 1
1 123 . 8 1 1 A 10 10 LEU C C 10 176.549 175.205 1.344 1
1 124 . 8 1 1 A 11 11 ALA N N 11 127.272 128.315 -1.043 1
1 125 . 8 1 1 A 11 11 ALA H H 11 9.163 8.874 0.289 1
1 126 . 8 1 1 A 11 11 ALA CA C 11 52.416 51.328 1.088 1
1 127 . 8 1 1 A 11 11 ALA HA H 11 4.602 4.578 0.024 1
1 131 . 8 1 1 A 11 11 ALA CB C 11 19.274 19.792 -0.518 1
1 132 . 8 1 1 A 11 11 ALA C C 11 178.282 176.980 1.302 1
1 133 . 8 1 1 A 12 12 LEU N N 12 127.769 124.863 2.906 1
1 134 . 8 1 1 A 12 12 LEU H H 12 9.257 9.130 0.127 1
1 135 . 8 1 1 A 12 12 LEU CA C 12 55.442 55.919 -0.477 1
1 136 . 8 1 1 A 12 12 LEU HA H 12 3.898 4.293 -0.395 1
1 137 . 8 1 1 A 12 12 LEU CB C 12 43.110 42.470 0.640 1
1 150 . 8 1 1 A 12 12 LEU C C 12 174.946 176.495 -1.549 1
1 151 . 8 1 1 A 13 13 TYR N N 13 111.673 115.558 -3.885 1
1 152 . 8 1 1 A 13 13 TYR H H 13 7.129 8.061 -0.932 1
1 153 . 8 1 1 A 13 13 TYR CA C 13 54.720 56.742 -2.022 1
1 154 . 8 1 1 A 13 13 TYR HA H 13 4.633 4.946 -0.313 1
1 155 . 8 1 1 A 13 13 TYR CB C 13 43.043 41.875 1.168 1
1 166 . 8 1 1 A 13 13 TYR C C 13 173.668 175.105 -1.437 1
1 167 . 8 1 1 A 14 14 ASP N N 14 117.814 120.353 -2.539 1
1 168 . 8 1 1 A 14 14 ASP H H 14 8.347 8.847 -0.500 1
1 169 . 8 1 1 A 14 14 ASP CA C 14 54.571 53.099 1.472 1
1 170 . 8 1 1 A 14 14 ASP HA H 14 4.633 5.586 -0.953 1
1 171 . 8 1 1 A 14 14 ASP CB C 14 41.136 42.769 -1.633 1
1 174 . 8 1 1 A 14 14 ASP C C 14 176.051 174.738 1.313 1
1 175 . 8 1 1 A 15 15 TYR N N 15 120.213 123.021 -2.808 1
1 176 . 8 1 1 A 15 15 TYR H H 15 8.748 9.051 -0.303 1
1 177 . 8 1 1 A 15 15 TYR CA C 15 59.454 57.096 2.358 1
1 178 . 8 1 1 A 15 15 TYR HA H 15 4.654 5.367 -0.713 1
1 179 . 8 1 1 A 15 15 TYR CB C 15 43.400 42.620 0.780 1
1 190 . 8 1 1 A 15 15 TYR C C 15 172.758 173.906 -1.148 1
1 191 . 8 1 1 A 16 16 GLN N N 16 126.986 122.963 4.023 1
1 192 . 8 1 1 A 16 16 GLN H H 16 7.558 7.831 -0.273 1
1 193 . 8 1 1 A 16 16 GLN CA C 16 53.534 53.484 0.050 1
1 194 . 8 1 1 A 16 16 GLN HA H 16 4.500 4.942 -0.442 1
1 195 . 8 1 1 A 16 16 GLN CB C 16 29.071 32.478 -3.407 1
1 204 . 8 1 1 A 16 16 GLN C C 16 173.863 174.099 -0.236 1
1 205 . 8 1 1 A 17 17 GLU N N 17 123.063 120.417 2.646 1
1 206 . 8 1 1 A 17 17 GLU H H 17 7.979 8.148 -0.169 1
1 207 . 8 1 1 A 17 17 GLU CA C 17 55.935 55.565 0.370 1
1 208 . 8 1 1 A 17 17 GLU HA H 17 4.182 4.776 -0.594 1
1 209 . 8 1 1 A 17 17 GLU CB C 17 28.948 31.112 -2.164 1
1 215 . 8 1 1 A 17 17 GLU C C 17 175.899 175.967 -0.068 1
1 216 . 8 1 1 A 18 18 LYS N N 18 120.853 123.673 -2.820 1
1 217 . 8 1 1 A 18 18 LYS H H 18 8.771 9.041 -0.270 1
1 218 . 8 1 1 A 18 18 LYS CA C 18 55.393 57.427 -2.034 1
1 219 . 8 1 1 A 18 18 LYS HA H 18 4.390 4.396 -0.006 1
1 220 . 8 1 1 A 18 18 LYS CB C 18 33.393 34.015 -0.622 1
1 232 . 8 1 1 A 18 18 LYS C C 18 176.138 175.931 0.207 1
1 233 . 8 1 1 A 19 19 SER N N 19 115.089 112.561 2.528 1
1 234 . 8 1 1 A 19 19 SER H H 19 7.658 8.108 -0.450 1
1 235 . 8 1 1 A 19 19 SER CA C 19 56.821 55.758 1.063 1
1 236 . 8 1 1 A 19 19 SER HA H 19 4.863 4.786 0.077 1
1 237 . 8 1 1 A 19 19 SER CB C 19 64.208 64.648 -0.440 1
1 241 . 8 1 1 A 20 20 PRO CA C 20 64.803 64.383 0.420 1
1 242 . 8 1 1 A 20 20 PRO HA H 20 4.521 4.503 0.018 1
1 243 . 8 1 1 A 20 20 PRO CB C 20 31.657 31.765 -0.108 1
1 251 . 8 1 1 A 20 20 PRO C C 20 176.657 178.008 -1.351 1
1 252 . 8 1 1 A 21 21 ARG N N 21 113.827 117.742 -3.915 1
1 253 . 8 1 1 A 21 21 ARG H H 21 7.694 8.215 -0.521 1
1 254 . 8 1 1 A 21 21 ARG CA C 21 56.119 58.711 -2.592 1
1 255 . 8 1 1 A 21 21 ARG HA H 21 4.593 4.187 0.406 1
1 256 . 8 1 1 A 21 21 ARG CB C 21 30.299 30.018 0.281 1
1 265 . 8 1 1 A 21 21 ARG C C 21 173.386 176.942 -3.556 1
1 266 . 8 1 1 A 22 22 GLU N N 22 121.389 118.651 2.738 1
1 267 . 8 1 1 A 22 22 GLU H H 22 7.850 7.768 0.082 1
1 268 . 8 1 1 A 22 22 GLU CA C 22 54.951 55.627 -0.676 1
1 269 . 8 1 1 A 22 22 GLU HA H 22 5.487 4.777 0.710 1
1 270 . 8 1 1 A 22 22 GLU CB C 22 33.588 31.548 2.040 1
1 276 . 8 1 1 A 22 22 GLU C C 22 174.491 175.832 -1.341 1
1 277 . 8 1 1 A 23 23 VAL N N 23 113.069 118.019 -4.950 1
1 278 . 8 1 1 A 23 23 VAL H H 23 7.410 8.785 -1.375 1
1 279 . 8 1 1 A 23 23 VAL CA C 23 59.793 59.442 0.351 1
1 280 . 8 1 1 A 23 23 VAL HA H 23 4.531 5.087 -0.556 1
1 281 . 8 1 1 A 23 23 VAL CB C 23 34.667 35.750 -1.083 1
1 291 . 8 1 1 A 23 23 VAL C C 23 172.541 174.093 -1.552 1
1 292 . 8 1 1 A 24 24 THR N N 24 118.283 119.880 -1.597 1
1 293 . 8 1 1 A 24 24 THR H H 24 7.362 8.576 -1.214 1
1 294 . 8 1 1 A 24 24 THR CA C 24 61.708 62.636 -0.928 1
1 295 . 8 1 1 A 24 24 THR HA H 24 5.085 4.922 0.163 1
1 296 . 8 1 1 A 24 24 THR CB C 24 70.934 70.039 0.895 1
1 302 . 8 1 1 A 24 24 THR C C 24 174.274 174.396 -0.122 1
1 303 . 8 1 1 A 25 25 MET N N 25 121.971 124.129 -2.158 1
1 304 . 8 1 1 A 25 25 MET H H 25 9.523 9.317 0.206 1
1 305 . 8 1 1 A 25 25 MET CA C 25 54.328 53.284 1.044 1
1 306 . 8 1 1 A 25 25 MET HA H 25 4.929 5.391 -0.462 1
1 307 . 8 1 1 A 25 25 MET CB C 25 36.287 36.536 -0.249 1
1 317 . 8 1 1 A 25 25 MET C C 25 173.841 174.473 -0.632 1
1 318 . 8 1 1 A 26 26 LYS N N 26 124.399 118.585 5.814 1
1 319 . 8 1 1 A 26 26 LYS H H 26 8.820 8.783 0.037 1
1 320 . 8 1 1 A 26 26 LYS CA C 26 53.699 54.581 -0.882 1
1 321 . 8 1 1 A 26 26 LYS HA H 26 4.879 4.949 -0.070 1
1 322 . 8 1 1 A 26 26 LYS CB C 26 34.097 36.507 -2.410 1
1 332 . 8 1 1 A 26 26 LYS C C 26 174.968 176.456 -1.488 1
1 333 . 8 1 1 A 27 27 LYS N N 27 122.619 121.713 0.906 1
1 334 . 8 1 1 A 27 27 LYS H H 27 9.013 8.573 0.440 1
1 335 . 8 1 1 A 27 27 LYS CA C 27 58.078 57.054 1.024 1
1 336 . 8 1 1 A 27 27 LYS HA H 27 4.837 4.396 0.441 1
1 337 . 8 1 1 A 27 27 LYS CB C 27 32.269 31.967 0.302 1
1 349 . 8 1 1 A 27 27 LYS C C 27 177.307 176.993 0.314 1
1 350 . 8 1 1 A 28 28 GLY N N 28 115.785 113.254 2.531 1
1 351 . 8 1 1 A 28 28 GLY H H 28 8.902 8.973 -0.071 1
1 352 . 8 1 1 A 28 28 GLY CA C 28 44.564 45.010 -0.446 1
1 353 . 8 1 1 A 28 28 GLY HA2 H 28 3.538 4.031 -0.493 1
1 354 . 8 1 1 A 28 28 GLY HA3 H 28 4.481 4.035 0.446 1
1 355 . 8 1 1 A 28 28 GLY C C 28 174.014 174.619 -0.605 1
1 356 . 8 1 1 A 29 29 ASP N N 29 122.243 121.130 1.113 1
1 357 . 8 1 1 A 29 29 ASP H H 29 8.511 8.387 0.124 1
1 358 . 8 1 1 A 29 29 ASP CA C 29 55.353 54.672 0.681 1
1 359 . 8 1 1 A 29 29 ASP HA H 29 4.523 4.712 -0.189 1
1 360 . 8 1 1 A 29 29 ASP CB C 29 41.146 42.295 -1.149 1
1 363 . 8 1 1 A 29 29 ASP C C 29 174.274 174.487 -0.213 1
1 364 . 8 1 1 A 30 30 ILE N N 30 120.587 119.894 0.693 1
1 365 . 8 1 1 A 30 30 ILE H H 30 8.227 8.407 -0.180 1
1 366 . 8 1 1 A 30 30 ILE CA C 30 60.366 60.514 -0.148 1
1 367 . 8 1 1 A 30 30 ILE HA H 30 5.036 5.309 -0.273 1
1 368 . 8 1 1 A 30 30 ILE CB C 30 38.210 41.852 -3.642 1
1 381 . 8 1 1 A 30 30 ILE C C 30 176.246 174.718 1.528 1
1 382 . 8 1 1 A 31 31 LEU N N 31 128.265 126.908 1.357 1
1 383 . 8 1 1 A 31 31 LEU H H 31 9.353 8.893 0.460 1
1 384 . 8 1 1 A 31 31 LEU CA C 31 53.414 53.274 0.140 1
1 385 . 8 1 1 A 31 31 LEU HA H 31 5.010 5.023 -0.013 1
1 386 . 8 1 1 A 31 31 LEU CB C 31 43.893 45.303 -1.410 1
1 397 . 8 1 1 A 31 31 LEU C C 31 175.596 175.607 -0.011 1
1 398 . 8 1 1 A 32 32 THR N N 32 117.027 117.811 -0.784 1
1 399 . 8 1 1 A 32 32 THR H H 32 8.146 8.626 -0.480 1
1 400 . 8 1 1 A 32 32 THR CA C 32 63.046 61.969 1.077 1
1 401 . 8 1 1 A 32 32 THR HA H 32 4.629 4.756 -0.127 1
1 402 . 8 1 1 A 32 32 THR CB C 32 69.576 69.002 0.574 1
1 408 . 8 1 1 A 32 32 THR C C 32 173.559 174.742 -1.183 1
1 409 . 8 1 1 A 33 33 LEU N N 33 129.212 128.785 0.427 1
1 410 . 8 1 1 A 33 33 LEU H H 33 9.070 8.460 0.610 1
1 411 . 8 1 1 A 33 33 LEU CA C 33 54.894 56.138 -1.244 1
1 412 . 8 1 1 A 33 33 LEU HA H 33 4.351 4.333 0.018 1
1 413 . 8 1 1 A 33 33 LEU CB C 33 43.191 42.181 1.010 1
1 426 . 8 1 1 A 33 33 LEU C C 33 174.513 176.784 -2.271 1
1 427 . 8 1 1 A 34 34 LEU N N 34 125.818 129.841 -4.023 1
1 428 . 8 1 1 A 34 34 LEU H H 34 9.060 9.109 -0.049 1
1 429 . 8 1 1 A 34 34 LEU CA C 34 54.885 55.571 -0.686 1
1 430 . 8 1 1 A 34 34 LEU HA H 34 4.523 4.451 0.072 1
1 431 . 8 1 1 A 34 34 LEU CB C 34 42.990 43.117 -0.127 1
1 443 . 8 1 1 A 34 34 LEU C C 34 177.502 175.924 1.578 1
1 444 . 8 1 1 A 35 35 ASN N N 35 114.008 117.837 -3.829 1
1 445 . 8 1 1 A 35 35 ASN H H 35 7.617 8.189 -0.572 1
1 446 . 8 1 1 A 35 35 ASN CA C 35 54.502 52.889 1.613 1
1 447 . 8 1 1 A 35 35 ASN HA H 35 4.736 4.973 -0.237 1
1 448 . 8 1 1 A 35 35 ASN CB C 35 40.933 40.661 0.272 1
1 454 . 8 1 1 A 35 35 ASN C C 35 174.318 174.339 -0.021 1
1 455 . 8 1 1 A 36 36 SER N N 36 123.608 118.210 5.398 1
1 456 . 8 1 1 A 36 36 SER H H 36 9.172 8.380 0.792 1
1 457 . 8 1 1 A 36 36 SER CA C 36 56.915 56.987 -0.072 1
1 458 . 8 1 1 A 36 36 SER HA H 36 3.940 4.294 -0.354 1
1 459 . 8 1 1 A 36 36 SER CB C 36 62.042 62.337 -0.295 1
1 462 . 8 1 1 A 36 36 SER C C 36 173.364 175.291 -1.927 1
1 463 . 8 1 1 A 37 37 THR N N 37 115.130 115.699 -0.569 1
1 464 . 8 1 1 A 37 37 THR H H 37 8.184 7.611 0.573 1
1 465 . 8 1 1 A 37 37 THR CA C 37 65.381 65.593 -0.212 1
1 466 . 8 1 1 A 37 37 THR HA H 37 3.980 3.959 0.021 1
1 467 . 8 1 1 A 37 37 THR CB C 37 69.489 69.011 0.478 1
1 473 . 8 1 1 A 37 37 THR C C 37 175.249 174.820 0.429 1
1 474 . 8 1 1 A 38 38 ASN N N 38 122.469 117.924 4.545 1
1 475 . 8 1 1 A 38 38 ASN H H 38 8.681 8.094 0.587 1
1 476 . 8 1 1 A 38 38 ASN CA C 38 53.337 52.557 0.780 1
1 477 . 8 1 1 A 38 38 ASN HA H 38 4.867 4.949 -0.082 1
1 478 . 8 1 1 A 38 38 ASN CB C 38 40.376 39.903 0.473 1
1 484 . 8 1 1 A 38 38 ASN C C 38 174.599 174.750 -0.151 1
1 485 . 8 1 1 A 39 39 LYS N N 39 120.915 119.829 1.086 1
1 486 . 8 1 1 A 39 39 LYS H H 39 8.516 8.862 -0.346 1
1 487 . 8 1 1 A 39 39 LYS CA C 39 58.333 56.837 1.496 1
1 488 . 8 1 1 A 39 39 LYS HA H 39 4.247 4.725 -0.478 1
1 489 . 8 1 1 A 39 39 LYS CB C 39 32.371 34.159 -1.788 1
1 499 . 8 1 1 A 39 39 LYS C C 39 176.268 177.647 -1.379 1
1 500 . 8 1 1 A 40 40 ASP N N 40 114.512 117.334 -2.822 1
1 501 . 8 1 1 A 40 40 ASP H H 40 8.210 7.847 0.363 1
1 502 . 8 1 1 A 40 40 ASP CA C 40 55.083 55.798 -0.715 1
1 503 . 8 1 1 A 40 40 ASP HA H 40 4.544 4.360 0.184 1
1 504 . 8 1 1 A 40 40 ASP CB C 40 43.014 41.809 1.205 1
1 507 . 8 1 1 A 40 40 ASP C C 40 176.852 175.671 1.181 1
1 508 . 8 1 1 A 41 41 TRP N N 41 122.703 116.545 6.158 1
1 509 . 8 1 1 A 41 41 TRP H H 41 8.212 8.040 0.172 1
1 510 . 8 1 1 A 41 41 TRP CA C 41 56.005 55.512 0.493 1
1 511 . 8 1 1 A 41 41 TRP HA H 41 5.078 5.213 -0.135 1
1 512 . 8 1 1 A 41 41 TRP CB C 41 32.019 31.025 0.994 1
1 527 . 8 1 1 A 41 41 TRP C C 41 174.166 175.702 -1.536 1
1 528 . 8 1 1 A 42 42 TRP N N 42 124.905 124.297 0.608 1
1 529 . 8 1 1 A 42 42 TRP H H 42 9.380 9.546 -0.166 1
1 530 . 8 1 1 A 42 42 TRP CA C 42 53.861 55.506 -1.645 1
1 531 . 8 1 1 A 42 42 TRP HA H 42 5.523 5.192 0.331 1
1 532 . 8 1 1 A 42 42 TRP CB C 42 31.543 32.306 -0.763 1
1 547 . 8 1 1 A 42 42 TRP C C 42 174.144 175.911 -1.767 1
1 548 . 8 1 1 A 43 43 LYS N N 43 124.120 123.269 0.851 1
1 549 . 8 1 1 A 43 43 LYS H H 43 8.896 9.176 -0.280 1
1 550 . 8 1 1 A 43 43 LYS CA C 43 55.231 55.748 -0.517 1
1 551 . 8 1 1 A 43 43 LYS HA H 43 4.396 4.566 -0.170 1
1 552 . 8 1 1 A 43 43 LYS CB C 43 34.366 33.071 1.295 1
1 564 . 8 1 1 A 43 43 LYS C C 43 175.423 176.022 -0.599 1
1 565 . 8 1 1 A 44 44 VAL N N 44 121.984 117.991 3.993 1
1 566 . 8 1 1 A 44 44 VAL H H 44 9.430 8.893 0.537 1
1 567 . 8 1 1 A 44 44 VAL CA C 44 58.751 58.961 -0.210 1
1 568 . 8 1 1 A 44 44 VAL HA H 44 5.375 5.217 0.158 1
1 569 . 8 1 1 A 44 44 VAL CB C 44 36.378 35.821 0.557 1
1 579 . 8 1 1 A 44 44 VAL C C 44 173.234 173.934 -0.700 1
1 580 . 8 1 1 A 45 45 GLU N N 45 118.425 121.198 -2.773 1
1 581 . 8 1 1 A 45 45 GLU H H 45 8.757 8.872 -0.115 1
1 582 . 8 1 1 A 45 45 GLU CA C 45 54.139 54.841 -0.702 1
1 583 . 8 1 1 A 45 45 GLU HA H 45 5.423 5.399 0.024 1
1 584 . 8 1 1 A 45 45 GLU CB C 45 32.891 33.499 -0.608 1
1 590 . 8 1 1 A 45 45 GLU C C 45 174.621 175.328 -0.707 1
1 591 . 8 1 1 A 46 46 VAL N N 46 123.694 126.742 -3.048 1
1 592 . 8 1 1 A 46 46 VAL H H 46 9.089 8.877 0.212 1
1 593 . 8 1 1 A 46 46 VAL CA C 46 59.627 60.638 -1.011 1
1 594 . 8 1 1 A 46 46 VAL HA H 46 4.669 4.858 -0.189 1
1 595 . 8 1 1 A 46 46 VAL CB C 46 35.290 34.086 1.204 1
1 604 . 8 1 1 A 46 46 VAL C C 46 173.234 174.705 -1.471 1
1 605 . 8 1 1 A 47 47 LYS N N 47 124.893 125.428 -0.535 1
1 606 . 8 1 1 A 47 47 LYS H H 47 8.455 8.804 -0.349 1
1 607 . 8 1 1 A 47 47 LYS CA C 47 55.404 54.752 0.652 1
1 608 . 8 1 1 A 47 47 LYS HA H 47 5.022 5.288 -0.266 1
1 609 . 8 1 1 A 47 47 LYS CB C 47 33.959 35.097 -1.138 1
1 619 . 8 1 1 A 47 47 LYS C C 47 175.899 174.983 0.916 1
1 620 . 8 1 1 A 48 48 ILE N N 48 124.447 128.394 -3.947 1
1 621 . 8 1 1 A 48 48 ILE H H 48 8.989 9.213 -0.224 1
1 622 . 8 1 1 A 48 48 ILE CA C 48 59.646 60.038 -0.392 1
1 623 . 8 1 1 A 48 48 ILE HA H 48 4.529 4.929 -0.400 1
1 624 . 8 1 1 A 48 48 ILE CB C 48 41.170 40.788 0.382 1
1 637 . 8 1 1 A 48 48 ILE C C 48 174.144 174.754 -0.610 1
1 638 . 8 1 1 A 49 49 THR N N 49 121.012 123.723 -2.711 1
1 639 . 8 1 1 A 49 49 THR H H 49 8.570 8.931 -0.361 1
1 640 . 8 1 1 A 49 49 THR CA C 49 61.301 62.022 -0.721 1
1 641 . 8 1 1 A 49 49 THR HA H 49 5.272 5.032 0.240 1
1 642 . 8 1 1 A 49 49 THR CB C 49 69.853 69.570 0.283 1
1 648 . 8 1 1 A 49 49 THR C C 49 174.318 174.106 0.212 1
1 649 . 8 1 1 A 50 50 VAL N N 50 126.754 126.743 0.011 1
1 650 . 8 1 1 A 50 50 VAL H H 50 9.104 9.047 0.057 1
1 651 . 8 1 1 A 50 50 VAL CA C 50 61.070 61.425 -0.355 1
1 652 . 8 1 1 A 50 50 VAL HA H 50 4.292 4.558 -0.266 1
1 653 . 8 1 1 A 50 50 VAL CB C 50 34.452 34.445 0.007 1
1 663 . 8 1 1 A 50 50 VAL C C 50 175.899 176.189 -0.290 1
1 664 . 8 1 1 A 51 51 ASN N N 51 127.590 127.279 0.311 1
1 665 . 8 1 1 A 51 51 ASN H H 51 9.619 9.488 0.131 1
1 666 . 8 1 1 A 51 51 ASN CA C 51 54.177 54.862 -0.685 1
1 667 . 8 1 1 A 51 51 ASN HA H 51 4.390 4.497 -0.107 1
1 668 . 8 1 1 A 51 51 ASN CB C 51 37.413 37.372 0.041 1
1 671 . 8 1 1 A 51 51 ASN C C 51 175.249 175.678 -0.429 1
1 672 . 8 1 1 A 52 52 GLY N N 52 102.845 103.560 -0.715 1
1 673 . 8 1 1 A 52 52 GLY H H 52 8.535 8.691 -0.156 1
1 674 . 8 1 1 A 52 52 GLY CA C 52 45.443 45.462 -0.019 1
1 675 . 8 1 1 A 52 52 GLY HA2 H 52 3.555 3.852 -0.297 1
1 676 . 8 1 1 A 52 52 GLY HA3 H 52 4.120 3.853 0.267 1
1 677 . 8 1 1 A 52 52 GLY C C 52 176.398 173.682 2.716 1
1 678 . 8 1 1 A 53 53 LYS N N 53 121.989 120.811 1.178 1
1 679 . 8 1 1 A 53 53 LYS H H 53 7.849 8.226 -0.377 1
1 680 . 8 1 1 A 53 53 LYS CA C 53 54.807 54.780 0.027 1
1 681 . 8 1 1 A 53 53 LYS HA H 53 4.641 4.365 0.276 1
1 682 . 8 1 1 A 53 53 LYS CB C 53 34.440 33.833 0.607 1
1 694 . 8 1 1 A 53 53 LYS C C 53 174.513 175.368 -0.855 1
1 695 . 8 1 1 A 54 54 THR N N 54 118.860 120.491 -1.631 1
1 696 . 8 1 1 A 54 54 THR H H 54 8.445 8.624 -0.179 1
1 697 . 8 1 1 A 54 54 THR CA C 54 62.074 62.482 -0.408 1
1 698 . 8 1 1 A 54 54 THR HA H 54 5.167 4.405 0.762 1
1 699 . 8 1 1 A 54 54 THR CB C 54 70.071 68.971 1.100 1
1 705 . 8 1 1 A 54 54 THR C C 54 173.689 173.711 -0.022 1
1 706 . 8 1 1 A 55 55 TYR N N 55 125.966 126.125 -0.159 1
1 707 . 8 1 1 A 55 55 TYR H H 55 9.319 9.556 -0.237 1
1 708 . 8 1 1 A 55 55 TYR CA C 55 56.507 56.477 0.030 1
1 709 . 8 1 1 A 55 55 TYR HA H 55 4.767 5.145 -0.378 1
1 710 . 8 1 1 A 55 55 TYR CB C 55 40.591 42.728 -2.137 1
1 721 . 8 1 1 A 55 55 TYR C C 55 173.538 175.032 -1.494 1
1 722 . 8 1 1 A 56 56 GLU N N 56 119.827 120.991 -1.164 1
1 723 . 8 1 1 A 56 56 GLU H H 56 8.568 8.911 -0.343 1
1 724 . 8 1 1 A 56 56 GLU CA C 56 54.503 55.394 -0.891 1
1 725 . 8 1 1 A 56 56 GLU HA H 56 5.247 5.623 -0.376 1
1 726 . 8 1 1 A 56 56 GLU CB C 56 30.297 33.897 -3.600 1
1 732 . 8 1 1 A 56 56 GLU C C 56 175.726 175.135 0.591 1
1 733 . 8 1 1 A 57 57 ARG N N 57 123.399 120.404 2.995 1
1 734 . 8 1 1 A 57 57 ARG H H 57 8.971 8.503 0.468 1
1 735 . 8 1 1 A 57 57 ARG CA C 57 54.944 54.513 0.431 1
1 736 . 8 1 1 A 57 57 ARG HA H 57 4.710 5.053 -0.343 1
1 737 . 8 1 1 A 57 57 ARG CB C 57 33.362 33.911 -0.549 1
1 746 . 8 1 1 A 57 57 ARG C C 57 174.166 174.302 -0.136 1
1 747 . 8 1 1 A 58 58 GLN N N 58 120.188 120.997 -0.809 1
1 748 . 8 1 1 A 58 58 GLN H H 58 8.634 8.546 0.088 1
1 749 . 8 1 1 A 58 58 GLN CA C 58 53.251 54.951 -1.700 1
1 750 . 8 1 1 A 58 58 GLN HA H 58 5.602 5.140 0.462 1
1 751 . 8 1 1 A 58 58 GLN CB C 58 31.229 30.052 1.177 1
1 760 . 8 1 1 A 58 58 GLN C C 58 175.726 175.577 0.149 1
1 761 . 8 1 1 A 59 59 GLY N N 59 107.196 110.352 -3.156 1
1 762 . 8 1 1 A 59 59 GLY H H 59 8.644 8.813 -0.169 1
1 763 . 8 1 1 A 59 59 GLY CA C 59 45.583 44.290 1.293 1
1 764 . 8 1 1 A 59 59 GLY HA2 H 59 3.947 4.345 -0.398 1
1 765 . 8 1 1 A 59 59 GLY HA3 H 59 3.947 4.386 -0.439 1
1 766 . 8 1 1 A 59 59 GLY C C 59 170.223 171.694 -1.471 1
1 767 . 8 1 1 A 60 60 PHE N N 60 119.079 121.177 -2.098 1
1 768 . 8 1 1 A 60 60 PHE H H 60 9.178 8.907 0.271 1
1 769 . 8 1 1 A 60 60 PHE CA C 60 58.544 57.811 0.733 1
1 770 . 8 1 1 A 60 60 PHE HA H 60 5.668 5.318 0.350 1
1 771 . 8 1 1 A 60 60 PHE CB C 60 42.484 40.512 1.972 1
1 784 . 8 1 1 A 60 60 PHE C C 60 175.423 175.991 -0.568 1
1 785 . 8 1 1 A 61 61 VAL N N 61 111.060 117.446 -6.386 1
1 786 . 8 1 1 A 61 61 VAL H H 61 9.089 8.952 0.137 1
1 787 . 8 1 1 A 61 61 VAL CA C 61 58.189 58.231 -0.042 1
1 788 . 8 1 1 A 61 61 VAL HA H 61 4.833 4.985 -0.152 1
1 789 . 8 1 1 A 61 61 VAL CB C 61 33.744 34.582 -0.838 1
1 800 . 8 1 1 A 62 62 PRO CA C 62 61.852 62.105 -0.253 1
1 801 . 8 1 1 A 62 62 PRO HA H 62 3.572 4.401 -0.829 1
1 802 . 8 1 1 A 62 62 PRO CB C 62 29.704 30.830 -1.126 1
1 810 . 8 1 1 A 62 62 PRO C C 62 177.719 177.417 0.302 1
1 811 . 8 1 1 A 63 63 ALA N N 63 129.142 128.361 0.781 1
1 812 . 8 1 1 A 63 63 ALA H H 63 7.477 8.370 -0.893 1
1 813 . 8 1 1 A 63 63 ALA CA C 63 54.472 54.492 -0.020 1
1 814 . 8 1 1 A 63 63 ALA HA H 63 2.655 3.606 -0.951 1
1 818 . 8 1 1 A 63 63 ALA CB C 63 15.740 16.673 -0.933 1
1 819 . 8 1 1 A 63 63 ALA C C 63 178.434 179.693 -1.259 1
1 820 . 8 1 1 A 64 64 ALA N N 64 113.410 119.156 -5.746 1
1 821 . 8 1 1 A 64 64 ALA H H 64 7.857 8.130 -0.273 1
1 822 . 8 1 1 A 64 64 ALA CA C 64 52.991 54.254 -1.263 1
1 823 . 8 1 1 A 64 64 ALA HA H 64 4.006 4.000 0.006 1
1 827 . 8 1 1 A 64 64 ALA CB C 64 17.605 18.206 -0.601 1
1 828 . 8 1 1 A 64 64 ALA C C 64 178.109 178.129 -0.020 1
1 829 . 8 1 1 A 65 65 TYR N N 65 116.059 116.506 -0.447 1
1 830 . 8 1 1 A 65 65 TYR H H 65 7.705 7.836 -0.131 1
1 831 . 8 1 1 A 65 65 TYR CA C 65 56.477 59.000 -2.523 1
1 832 . 8 1 1 A 65 65 TYR HA H 65 4.758 4.621 0.137 1
1 833 . 8 1 1 A 65 65 TYR CB C 65 37.765 39.045 -1.280 1
1 844 . 8 1 1 A 65 65 TYR C C 65 174.361 175.810 -1.449 1
1 845 . 8 1 1 A 66 66 VAL N N 66 111.003 114.393 -3.390 1
1 846 . 8 1 1 A 66 66 VAL H H 66 7.422 7.471 -0.049 1
1 847 . 8 1 1 A 66 66 VAL CA C 66 58.268 59.256 -0.988 1
1 848 . 8 1 1 A 66 66 VAL HA H 66 5.547 4.923 0.624 1
1 849 . 8 1 1 A 66 66 VAL CB C 66 35.809 35.992 -0.183 1
1 859 . 8 1 1 A 66 66 VAL C C 66 173.538 174.021 -0.483 1
1 860 . 8 1 1 A 67 67 LYS N N 67 118.514 118.410 0.104 1
1 861 . 8 1 1 A 67 67 LYS H H 67 8.636 9.059 -0.423 1
1 862 . 8 1 1 A 67 67 LYS CA C 67 53.828 54.675 -0.847 1
1 863 . 8 1 1 A 67 67 LYS HA H 67 4.840 5.064 -0.224 1
1 864 . 8 1 1 A 67 67 LYS CB C 67 36.636 35.507 1.129 1
1 876 . 8 1 1 A 67 67 LYS C C 67 176.029 175.301 0.728 1
1 877 . 8 1 1 A 68 68 LYS N N 68 125.817 121.334 4.483 1
1 878 . 8 1 1 A 68 68 LYS H H 68 9.246 8.779 0.467 1
1 879 . 8 1 1 A 68 68 LYS CA C 68 58.514 56.773 1.741 1
1 880 . 8 1 1 A 68 68 LYS HA H 68 4.494 4.417 0.077 1
1 881 . 8 1 1 A 68 68 LYS CB C 68 32.893 32.673 0.220 1
1 891 . 8 1 1 A 68 68 LYS C C 68 176.679 177.618 -0.939 1
1 892 . 8 1 1 A 69 69 LEU N N 69 125.294 126.675 -1.381 1
1 893 . 8 1 1 A 69 69 LEU H H 69 8.506 8.735 -0.229 1
1 894 . 8 1 1 A 69 69 LEU CA C 69 54.873 57.752 -2.879 1
1 895 . 8 1 1 A 69 69 LEU HA H 69 4.429 4.157 0.272 1
1 896 . 8 1 1 A 69 69 LEU CB C 69 42.631 42.307 0.324 1
1 909 . 8 1 1 A 69 69 LEU C C 69 176.203 176.694 -0.491 1
1 10 . 9 1 1 A 2 2 ASP N N 2 123.392 119.774 3.618 1
1 11 . 9 1 1 A 2 2 ASP H H 2 8.830 7.986 0.844 1
1 12 . 9 1 1 A 2 2 ASP CA C 2 54.029 52.616 1.413 1
1 13 . 9 1 1 A 2 2 ASP HA H 2 4.699 4.946 -0.247 1
1 14 . 9 1 1 A 2 2 ASP CB C 2 40.198 41.442 -1.244 1
1 17 . 9 1 1 A 2 2 ASP C C 2 175.639 176.600 -0.961 1
1 18 . 9 1 1 A 3 3 GLU N N 3 121.824 122.977 -1.153 1
1 19 . 9 1 1 A 3 3 GLU H H 3 8.663 7.919 0.744 1
1 20 . 9 1 1 A 3 3 GLU CA C 3 56.162 56.935 -0.773 1
1 21 . 9 1 1 A 3 3 GLU HA H 3 4.406 4.420 -0.014 1
1 22 . 9 1 1 A 3 3 GLU CB C 3 28.702 31.272 -2.570 1
1 28 . 9 1 1 A 3 3 GLU C C 3 176.354 176.918 -0.564 1
1 29 . 9 1 1 A 4 4 THR N N 4 114.607 113.563 1.044 1
1 30 . 9 1 1 A 4 4 THR H H 4 8.285 8.051 0.234 1
1 31 . 9 1 1 A 4 4 THR CA C 4 62.425 63.232 -0.807 1
1 32 . 9 1 1 A 4 4 THR HA H 4 4.267 4.005 0.262 1
1 33 . 9 1 1 A 4 4 THR CB C 4 69.672 66.618 3.054 1
1 39 . 9 1 1 A 4 4 THR C C 4 175.271 175.120 0.151 1
1 40 . 9 1 1 A 5 5 GLY N N 5 111.345 110.190 1.155 1
1 41 . 9 1 1 A 5 5 GLY H H 5 8.436 8.169 0.267 1
1 42 . 9 1 1 A 5 5 GLY CA C 5 45.297 45.773 -0.476 1
1 43 . 9 1 1 A 5 5 GLY HA2 H 5 3.942 4.011 -0.069 1
1 44 . 9 1 1 A 5 5 GLY HA3 H 5 3.942 4.012 -0.070 1
1 45 . 9 1 1 A 5 5 GLY C C 5 173.668 174.603 -0.935 1
1 46 . 9 1 1 A 6 6 LYS N N 6 119.783 117.984 1.799 1
1 47 . 9 1 1 A 6 6 LYS H H 6 8.017 7.629 0.388 1
1 48 . 9 1 1 A 6 6 LYS CA C 6 55.538 57.827 -2.289 1
1 49 . 9 1 1 A 6 6 LYS HA H 6 4.387 4.310 0.077 1
1 50 . 9 1 1 A 6 6 LYS CB C 6 33.257 33.147 0.110 1
1 62 . 9 1 1 A 6 6 LYS C C 6 176.029 176.826 -0.797 1
1 63 . 9 1 1 A 7 7 GLU N N 7 122.414 116.817 5.597 1
1 64 . 9 1 1 A 7 7 GLU H H 7 8.584 7.981 0.603 1
1 65 . 9 1 1 A 7 7 GLU CA C 7 55.404 55.414 -0.010 1
1 66 . 9 1 1 A 7 7 GLU HA H 7 4.495 4.792 -0.297 1
1 67 . 9 1 1 A 7 7 GLU CB C 7 30.382 31.810 -1.428 1
1 73 . 9 1 1 A 7 7 GLU C C 7 174.014 174.898 -0.884 1
1 74 . 9 1 1 A 8 8 LEU N N 8 122.989 128.132 -5.143 1
1 75 . 9 1 1 A 8 8 LEU H H 8 8.414 8.937 -0.523 1
1 76 . 9 1 1 A 8 8 LEU CA C 8 53.188 53.413 -0.225 1
1 77 . 9 1 1 A 8 8 LEU HA H 8 5.381 5.128 0.253 1
1 78 . 9 1 1 A 8 8 LEU CB C 8 45.173 44.272 0.901 1
1 90 . 9 1 1 A 8 8 LEU C C 8 177.329 176.214 1.115 1
1 91 . 9 1 1 A 9 9 VAL N N 9 111.709 117.869 -6.160 1
1 92 . 9 1 1 A 9 9 VAL H H 9 9.125 9.122 0.003 1
1 93 . 9 1 1 A 9 9 VAL CA C 9 57.854 59.158 -1.304 1
1 94 . 9 1 1 A 9 9 VAL HA H 9 5.232 5.072 0.160 1
1 95 . 9 1 1 A 9 9 VAL CB C 9 35.864 35.681 0.183 1
1 105 . 9 1 1 A 9 9 VAL C C 9 172.368 174.196 -1.828 1
1 106 . 9 1 1 A 10 10 LEU N N 10 123.520 124.695 -1.175 1
1 107 . 9 1 1 A 10 10 LEU H H 10 8.989 9.013 -0.024 1
1 108 . 9 1 1 A 10 10 LEU CA C 10 52.445 53.360 -0.915 1
1 109 . 9 1 1 A 10 10 LEU HA H 10 5.113 5.565 -0.452 1
1 110 . 9 1 1 A 10 10 LEU CB C 10 46.776 44.951 1.825 1
1 123 . 9 1 1 A 10 10 LEU C C 10 176.549 175.809 0.740 1
1 124 . 9 1 1 A 11 11 ALA N N 11 127.272 125.530 1.742 1
1 125 . 9 1 1 A 11 11 ALA H H 11 9.163 8.780 0.383 1
1 126 . 9 1 1 A 11 11 ALA CA C 11 52.416 51.196 1.220 1
1 127 . 9 1 1 A 11 11 ALA HA H 11 4.602 4.514 0.088 1
1 131 . 9 1 1 A 11 11 ALA CB C 11 19.274 19.296 -0.022 1
1 132 . 9 1 1 A 11 11 ALA C C 11 178.282 177.762 0.520 1
1 133 . 9 1 1 A 12 12 LEU N N 12 127.769 125.777 1.992 1
1 134 . 9 1 1 A 12 12 LEU H H 12 9.257 8.795 0.462 1
1 135 . 9 1 1 A 12 12 LEU CA C 12 55.442 55.833 -0.391 1
1 136 . 9 1 1 A 12 12 LEU HA H 12 3.898 4.205 -0.307 1
1 137 . 9 1 1 A 12 12 LEU CB C 12 43.110 42.726 0.384 1
1 150 . 9 1 1 A 12 12 LEU C C 12 174.946 176.666 -1.720 1
1 151 . 9 1 1 A 13 13 TYR N N 13 111.673 115.855 -4.182 1
1 152 . 9 1 1 A 13 13 TYR H H 13 7.129 8.078 -0.949 1
1 153 . 9 1 1 A 13 13 TYR CA C 13 54.720 56.576 -1.856 1
1 154 . 9 1 1 A 13 13 TYR HA H 13 4.633 5.049 -0.416 1
1 155 . 9 1 1 A 13 13 TYR CB C 13 43.043 41.566 1.477 1
1 166 . 9 1 1 A 13 13 TYR C C 13 173.668 175.363 -1.695 1
1 167 . 9 1 1 A 14 14 ASP N N 14 117.814 121.888 -4.074 1
1 168 . 9 1 1 A 14 14 ASP H H 14 8.347 8.859 -0.512 1
1 169 . 9 1 1 A 14 14 ASP CA C 14 54.571 54.018 0.553 1
1 170 . 9 1 1 A 14 14 ASP HA H 14 4.633 5.034 -0.401 1
1 171 . 9 1 1 A 14 14 ASP CB C 14 41.136 41.611 -0.475 1
1 174 . 9 1 1 A 14 14 ASP C C 14 176.051 175.447 0.604 1
1 175 . 9 1 1 A 15 15 TYR N N 15 120.213 123.706 -3.493 1
1 176 . 9 1 1 A 15 15 TYR H H 15 8.748 9.190 -0.442 1
1 177 . 9 1 1 A 15 15 TYR CA C 15 59.454 57.376 2.078 1
1 178 . 9 1 1 A 15 15 TYR HA H 15 4.654 5.328 -0.674 1
1 179 . 9 1 1 A 15 15 TYR CB C 15 43.400 42.489 0.911 1
1 190 . 9 1 1 A 15 15 TYR C C 15 172.758 173.865 -1.107 1
1 191 . 9 1 1 A 16 16 GLN N N 16 126.986 122.084 4.902 1
1 192 . 9 1 1 A 16 16 GLN H H 16 7.558 7.673 -0.115 1
1 193 . 9 1 1 A 16 16 GLN CA C 16 53.534 53.414 0.120 1
1 194 . 9 1 1 A 16 16 GLN HA H 16 4.500 4.916 -0.416 1
1 195 . 9 1 1 A 16 16 GLN CB C 16 29.071 32.440 -3.369 1
1 204 . 9 1 1 A 16 16 GLN C C 16 173.863 173.912 -0.049 1
1 205 . 9 1 1 A 17 17 GLU N N 17 123.063 120.770 2.293 1
1 206 . 9 1 1 A 17 17 GLU H H 17 7.979 8.503 -0.524 1
1 207 . 9 1 1 A 17 17 GLU CA C 17 55.935 55.734 0.201 1
1 208 . 9 1 1 A 17 17 GLU HA H 17 4.182 4.629 -0.447 1
1 209 . 9 1 1 A 17 17 GLU CB C 17 28.948 30.531 -1.583 1
1 215 . 9 1 1 A 17 17 GLU C C 17 175.899 175.784 0.115 1
1 216 . 9 1 1 A 18 18 LYS N N 18 120.853 123.778 -2.925 1
1 217 . 9 1 1 A 18 18 LYS H H 18 8.771 9.102 -0.331 1
1 218 . 9 1 1 A 18 18 LYS CA C 18 55.393 57.187 -1.794 1
1 219 . 9 1 1 A 18 18 LYS HA H 18 4.390 4.396 -0.006 1
1 220 . 9 1 1 A 18 18 LYS CB C 18 33.393 34.145 -0.752 1
1 232 . 9 1 1 A 18 18 LYS C C 18 176.138 175.428 0.710 1
1 233 . 9 1 1 A 19 19 SER N N 19 115.089 112.482 2.607 1
1 234 . 9 1 1 A 19 19 SER H H 19 7.658 7.872 -0.214 1
1 235 . 9 1 1 A 19 19 SER CA C 19 56.821 55.811 1.010 1
1 236 . 9 1 1 A 19 19 SER HA H 19 4.863 4.831 0.032 1
1 237 . 9 1 1 A 19 19 SER CB C 19 64.208 64.988 -0.780 1
1 241 . 9 1 1 A 20 20 PRO CA C 20 64.803 64.401 0.402 1
1 242 . 9 1 1 A 20 20 PRO HA H 20 4.521 4.499 0.022 1
1 243 . 9 1 1 A 20 20 PRO CB C 20 31.657 31.775 -0.118 1
1 251 . 9 1 1 A 20 20 PRO C C 20 176.657 178.132 -1.475 1
1 252 . 9 1 1 A 21 21 ARG N N 21 113.827 117.574 -3.747 1
1 253 . 9 1 1 A 21 21 ARG H H 21 7.694 8.257 -0.563 1
1 254 . 9 1 1 A 21 21 ARG CA C 21 56.119 58.597 -2.478 1
1 255 . 9 1 1 A 21 21 ARG HA H 21 4.593 4.314 0.279 1
1 256 . 9 1 1 A 21 21 ARG CB C 21 30.299 30.427 -0.128 1
1 265 . 9 1 1 A 21 21 ARG C C 21 173.386 177.386 -4.000 1
1 266 . 9 1 1 A 22 22 GLU N N 22 121.389 118.285 3.104 1
1 267 . 9 1 1 A 22 22 GLU H H 22 7.850 8.085 -0.235 1
1 268 . 9 1 1 A 22 22 GLU CA C 22 54.951 55.996 -1.045 1
1 269 . 9 1 1 A 22 22 GLU HA H 22 5.487 4.700 0.787 1
1 270 . 9 1 1 A 22 22 GLU CB C 22 33.588 31.656 1.932 1
1 276 . 9 1 1 A 22 22 GLU C C 22 174.491 175.718 -1.227 1
1 277 . 9 1 1 A 23 23 VAL N N 23 113.069 117.321 -4.252 1
1 278 . 9 1 1 A 23 23 VAL H H 23 7.410 8.737 -1.327 1
1 279 . 9 1 1 A 23 23 VAL CA C 23 59.793 59.337 0.456 1
1 280 . 9 1 1 A 23 23 VAL HA H 23 4.531 4.916 -0.385 1
1 281 . 9 1 1 A 23 23 VAL CB C 23 34.667 35.799 -1.132 1
1 291 . 9 1 1 A 23 23 VAL C C 23 172.541 174.150 -1.609 1
1 292 . 9 1 1 A 24 24 THR N N 24 118.283 119.759 -1.476 1
1 293 . 9 1 1 A 24 24 THR H H 24 7.362 8.833 -1.471 1
1 294 . 9 1 1 A 24 24 THR CA C 24 61.708 62.586 -0.878 1
1 295 . 9 1 1 A 24 24 THR HA H 24 5.085 4.929 0.156 1
1 296 . 9 1 1 A 24 24 THR CB C 24 70.934 69.993 0.941 1
1 302 . 9 1 1 A 24 24 THR C C 24 174.274 174.482 -0.208 1
1 303 . 9 1 1 A 25 25 MET N N 25 121.971 124.326 -2.355 1
1 304 . 9 1 1 A 25 25 MET H H 25 9.523 9.341 0.182 1
1 305 . 9 1 1 A 25 25 MET CA C 25 54.328 53.501 0.827 1
1 306 . 9 1 1 A 25 25 MET HA H 25 4.929 5.549 -0.620 1
1 307 . 9 1 1 A 25 25 MET CB C 25 36.287 35.993 0.294 1
1 317 . 9 1 1 A 25 25 MET C C 25 173.841 174.671 -0.830 1
1 318 . 9 1 1 A 26 26 LYS N N 26 124.399 118.915 5.484 1
1 319 . 9 1 1 A 26 26 LYS H H 26 8.820 8.903 -0.083 1
1 320 . 9 1 1 A 26 26 LYS CA C 26 53.699 53.992 -0.293 1
1 321 . 9 1 1 A 26 26 LYS HA H 26 4.879 5.088 -0.209 1
1 322 . 9 1 1 A 26 26 LYS CB C 26 34.097 36.282 -2.185 1
1 332 . 9 1 1 A 26 26 LYS C C 26 174.968 175.375 -0.407 1
1 333 . 9 1 1 A 27 27 LYS N N 27 122.619 120.794 1.825 1
1 334 . 9 1 1 A 27 27 LYS H H 27 9.013 8.728 0.285 1
1 335 . 9 1 1 A 27 27 LYS CA C 27 58.078 58.842 -0.764 1
1 336 . 9 1 1 A 27 27 LYS HA H 27 4.837 4.071 0.766 1
1 337 . 9 1 1 A 27 27 LYS CB C 27 32.269 32.083 0.186 1
1 349 . 9 1 1 A 27 27 LYS C C 27 177.307 177.341 -0.034 1
1 350 . 9 1 1 A 28 28 GLY N N 28 115.785 112.507 3.278 1
1 351 . 9 1 1 A 28 28 GLY H H 28 8.902 9.180 -0.278 1
1 352 . 9 1 1 A 28 28 GLY CA C 28 44.564 45.222 -0.658 1
1 353 . 9 1 1 A 28 28 GLY HA2 H 28 3.538 3.941 -0.403 1
1 354 . 9 1 1 A 28 28 GLY HA3 H 28 4.481 3.943 0.538 1
1 355 . 9 1 1 A 28 28 GLY C C 28 174.014 174.213 -0.199 1
1 356 . 9 1 1 A 29 29 ASP N N 29 122.243 121.579 0.664 1
1 357 . 9 1 1 A 29 29 ASP H H 29 8.511 8.336 0.175 1
1 358 . 9 1 1 A 29 29 ASP CA C 29 55.353 53.899 1.454 1
1 359 . 9 1 1 A 29 29 ASP HA H 29 4.523 4.706 -0.183 1
1 360 . 9 1 1 A 29 29 ASP CB C 29 41.146 41.996 -0.850 1
1 363 . 9 1 1 A 29 29 ASP C C 29 174.274 175.663 -1.389 1
1 364 . 9 1 1 A 30 30 ILE N N 30 120.587 126.130 -5.543 1
1 365 . 9 1 1 A 30 30 ILE H H 30 8.227 8.781 -0.554 1
1 366 . 9 1 1 A 30 30 ILE CA C 30 60.366 59.760 0.606 1
1 367 . 9 1 1 A 30 30 ILE HA H 30 5.036 5.063 -0.027 1
1 368 . 9 1 1 A 30 30 ILE CB C 30 38.210 40.088 -1.878 1
1 381 . 9 1 1 A 30 30 ILE C C 30 176.246 175.002 1.244 1
1 382 . 9 1 1 A 31 31 LEU N N 31 128.265 127.061 1.204 1
1 383 . 9 1 1 A 31 31 LEU H H 31 9.353 9.019 0.334 1
1 384 . 9 1 1 A 31 31 LEU CA C 31 53.414 53.615 -0.201 1
1 385 . 9 1 1 A 31 31 LEU HA H 31 5.010 5.021 -0.011 1
1 386 . 9 1 1 A 31 31 LEU CB C 31 43.893 46.087 -2.194 1
1 397 . 9 1 1 A 31 31 LEU C C 31 175.596 175.409 0.187 1
1 398 . 9 1 1 A 32 32 THR N N 32 117.027 118.045 -1.018 1
1 399 . 9 1 1 A 32 32 THR H H 32 8.146 8.658 -0.512 1
1 400 . 9 1 1 A 32 32 THR CA C 32 63.046 62.333 0.713 1
1 401 . 9 1 1 A 32 32 THR HA H 32 4.629 4.768 -0.139 1
1 402 . 9 1 1 A 32 32 THR CB C 32 69.576 69.009 0.567 1
1 408 . 9 1 1 A 32 32 THR C C 32 173.559 174.743 -1.184 1
1 409 . 9 1 1 A 33 33 LEU N N 33 129.212 128.992 0.220 1
1 410 . 9 1 1 A 33 33 LEU H H 33 9.070 8.341 0.729 1
1 411 . 9 1 1 A 33 33 LEU CA C 33 54.894 56.236 -1.342 1
1 412 . 9 1 1 A 33 33 LEU HA H 33 4.351 4.329 0.022 1
1 413 . 9 1 1 A 33 33 LEU CB C 33 43.191 42.002 1.189 1
1 426 . 9 1 1 A 33 33 LEU C C 33 174.513 176.115 -1.602 1
1 427 . 9 1 1 A 34 34 LEU N N 34 125.818 129.936 -4.118 1
1 428 . 9 1 1 A 34 34 LEU H H 34 9.060 9.198 -0.138 1
1 429 . 9 1 1 A 34 34 LEU CA C 34 54.885 55.753 -0.868 1
1 430 . 9 1 1 A 34 34 LEU HA H 34 4.523 4.530 -0.007 1
1 431 . 9 1 1 A 34 34 LEU CB C 34 42.990 43.194 -0.204 1
1 443 . 9 1 1 A 34 34 LEU C C 34 177.502 175.991 1.511 1
1 444 . 9 1 1 A 35 35 ASN N N 35 114.008 117.816 -3.808 1
1 445 . 9 1 1 A 35 35 ASN H H 35 7.617 7.942 -0.325 1
1 446 . 9 1 1 A 35 35 ASN CA C 35 54.502 52.287 2.215 1
1 447 . 9 1 1 A 35 35 ASN HA H 35 4.736 5.026 -0.290 1
1 448 . 9 1 1 A 35 35 ASN CB C 35 40.933 40.991 -0.058 1
1 454 . 9 1 1 A 35 35 ASN C C 35 174.318 174.342 -0.024 1
1 455 . 9 1 1 A 36 36 SER N N 36 123.608 117.739 5.869 1
1 456 . 9 1 1 A 36 36 SER H H 36 9.172 8.338 0.834 1
1 457 . 9 1 1 A 36 36 SER CA C 36 56.915 56.514 0.401 1
1 458 . 9 1 1 A 36 36 SER HA H 36 3.940 4.296 -0.356 1
1 459 . 9 1 1 A 36 36 SER CB C 36 62.042 62.629 -0.587 1
1 462 . 9 1 1 A 36 36 SER C C 36 173.364 175.213 -1.849 1
1 463 . 9 1 1 A 37 37 THR N N 37 115.130 115.769 -0.639 1
1 464 . 9 1 1 A 37 37 THR H H 37 8.184 7.648 0.536 1
1 465 . 9 1 1 A 37 37 THR CA C 37 65.381 65.133 0.248 1
1 466 . 9 1 1 A 37 37 THR HA H 37 3.980 4.032 -0.052 1
1 467 . 9 1 1 A 37 37 THR CB C 37 69.489 68.950 0.539 1
1 473 . 9 1 1 A 37 37 THR C C 37 175.249 174.363 0.886 1
1 474 . 9 1 1 A 38 38 ASN N N 38 122.469 118.211 4.258 1
1 475 . 9 1 1 A 38 38 ASN H H 38 8.681 8.237 0.444 1
1 476 . 9 1 1 A 38 38 ASN CA C 38 53.337 51.856 1.481 1
1 477 . 9 1 1 A 38 38 ASN HA H 38 4.867 5.127 -0.260 1
1 478 . 9 1 1 A 38 38 ASN CB C 38 40.376 40.490 -0.114 1
1 484 . 9 1 1 A 38 38 ASN C C 38 174.599 175.616 -1.017 1
1 485 . 9 1 1 A 39 39 LYS N N 39 120.915 119.485 1.430 1
1 486 . 9 1 1 A 39 39 LYS H H 39 8.516 8.513 0.003 1
1 487 . 9 1 1 A 39 39 LYS CA C 39 58.333 56.722 1.611 1
1 488 . 9 1 1 A 39 39 LYS HA H 39 4.247 4.852 -0.605 1
1 489 . 9 1 1 A 39 39 LYS CB C 39 32.371 34.103 -1.732 1
1 499 . 9 1 1 A 39 39 LYS C C 39 176.268 177.149 -0.881 1
1 500 . 9 1 1 A 40 40 ASP N N 40 114.512 117.666 -3.154 1
1 501 . 9 1 1 A 40 40 ASP H H 40 8.210 7.949 0.261 1
1 502 . 9 1 1 A 40 40 ASP CA C 40 55.083 55.380 -0.297 1
1 503 . 9 1 1 A 40 40 ASP HA H 40 4.544 4.465 0.079 1
1 504 . 9 1 1 A 40 40 ASP CB C 40 43.014 41.562 1.452 1
1 507 . 9 1 1 A 40 40 ASP C C 40 176.852 175.258 1.594 1
1 508 . 9 1 1 A 41 41 TRP N N 41 122.703 116.674 6.029 1
1 509 . 9 1 1 A 41 41 TRP H H 41 8.212 7.968 0.244 1
1 510 . 9 1 1 A 41 41 TRP CA C 41 56.005 55.698 0.307 1
1 511 . 9 1 1 A 41 41 TRP HA H 41 5.078 5.121 -0.043 1
1 512 . 9 1 1 A 41 41 TRP CB C 41 32.019 31.069 0.950 1
1 527 . 9 1 1 A 41 41 TRP C C 41 174.166 175.901 -1.735 1
1 528 . 9 1 1 A 42 42 TRP N N 42 124.905 123.656 1.249 1
1 529 . 9 1 1 A 42 42 TRP H H 42 9.380 9.688 -0.308 1
1 530 . 9 1 1 A 42 42 TRP CA C 42 53.861 55.495 -1.634 1
1 531 . 9 1 1 A 42 42 TRP HA H 42 5.523 5.197 0.326 1
1 532 . 9 1 1 A 42 42 TRP CB C 42 31.543 32.614 -1.071 1
1 547 . 9 1 1 A 42 42 TRP C C 42 174.144 175.829 -1.685 1
1 548 . 9 1 1 A 43 43 LYS N N 43 124.120 123.192 0.928 1
1 549 . 9 1 1 A 43 43 LYS H H 43 8.896 9.106 -0.210 1
1 550 . 9 1 1 A 43 43 LYS CA C 43 55.231 55.626 -0.395 1
1 551 . 9 1 1 A 43 43 LYS HA H 43 4.396 5.075 -0.679 1
1 552 . 9 1 1 A 43 43 LYS CB C 43 34.366 33.802 0.564 1
1 564 . 9 1 1 A 43 43 LYS C C 43 175.423 176.156 -0.733 1
1 565 . 9 1 1 A 44 44 VAL N N 44 121.984 117.769 4.215 1
1 566 . 9 1 1 A 44 44 VAL H H 44 9.430 8.949 0.481 1
1 567 . 9 1 1 A 44 44 VAL CA C 44 58.751 58.683 0.068 1
1 568 . 9 1 1 A 44 44 VAL HA H 44 5.375 5.117 0.258 1
1 569 . 9 1 1 A 44 44 VAL CB C 44 36.378 35.710 0.668 1
1 579 . 9 1 1 A 44 44 VAL C C 44 173.234 173.605 -0.371 1
1 580 . 9 1 1 A 45 45 GLU N N 45 118.425 122.381 -3.956 1
1 581 . 9 1 1 A 45 45 GLU H H 45 8.757 9.206 -0.449 1
1 582 . 9 1 1 A 45 45 GLU CA C 45 54.139 55.228 -1.089 1
1 583 . 9 1 1 A 45 45 GLU HA H 45 5.423 5.350 0.073 1
1 584 . 9 1 1 A 45 45 GLU CB C 45 32.891 31.991 0.900 1
1 590 . 9 1 1 A 45 45 GLU C C 45 174.621 175.895 -1.274 1
1 591 . 9 1 1 A 46 46 VAL N N 46 123.694 120.000 3.694 1
1 592 . 9 1 1 A 46 46 VAL H H 46 9.089 9.008 0.081 1
1 593 . 9 1 1 A 46 46 VAL CA C 46 59.627 59.218 0.409 1
1 594 . 9 1 1 A 46 46 VAL HA H 46 4.669 5.072 -0.403 1
1 595 . 9 1 1 A 46 46 VAL CB C 46 35.290 35.916 -0.626 1
1 604 . 9 1 1 A 46 46 VAL C C 46 173.234 173.463 -0.229 1
1 605 . 9 1 1 A 47 47 LYS N N 47 124.893 121.676 3.217 1
1 606 . 9 1 1 A 47 47 LYS H H 47 8.455 8.725 -0.270 1
1 607 . 9 1 1 A 47 47 LYS CA C 47 55.404 54.584 0.820 1
1 608 . 9 1 1 A 47 47 LYS HA H 47 5.022 5.292 -0.270 1
1 609 . 9 1 1 A 47 47 LYS CB C 47 33.959 35.348 -1.389 1
1 619 . 9 1 1 A 47 47 LYS C C 47 175.899 174.864 1.035 1
1 620 . 9 1 1 A 48 48 ILE N N 48 124.447 127.645 -3.198 1
1 621 . 9 1 1 A 48 48 ILE H H 48 8.989 9.106 -0.117 1
1 622 . 9 1 1 A 48 48 ILE CA C 48 59.646 59.991 -0.345 1
1 623 . 9 1 1 A 48 48 ILE HA H 48 4.529 4.969 -0.440 1
1 624 . 9 1 1 A 48 48 ILE CB C 48 41.170 41.112 0.058 1
1 637 . 9 1 1 A 48 48 ILE C C 48 174.144 175.411 -1.267 1
1 638 . 9 1 1 A 49 49 THR N N 49 121.012 121.904 -0.892 1
1 639 . 9 1 1 A 49 49 THR H H 49 8.570 8.735 -0.165 1
1 640 . 9 1 1 A 49 49 THR CA C 49 61.301 61.969 -0.668 1
1 641 . 9 1 1 A 49 49 THR HA H 49 5.272 5.012 0.260 1
1 642 . 9 1 1 A 49 49 THR CB C 49 69.853 70.209 -0.356 1
1 648 . 9 1 1 A 49 49 THR C C 49 174.318 173.691 0.627 1
1 649 . 9 1 1 A 50 50 VAL N N 50 126.754 126.388 0.366 1
1 650 . 9 1 1 A 50 50 VAL H H 50 9.104 9.054 0.050 1
1 651 . 9 1 1 A 50 50 VAL CA C 50 61.070 61.384 -0.314 1
1 652 . 9 1 1 A 50 50 VAL HA H 50 4.292 4.543 -0.251 1
1 653 . 9 1 1 A 50 50 VAL CB C 50 34.452 34.314 0.138 1
1 663 . 9 1 1 A 50 50 VAL C C 50 175.899 176.376 -0.477 1
1 664 . 9 1 1 A 51 51 ASN N N 51 127.590 126.035 1.555 1
1 665 . 9 1 1 A 51 51 ASN H H 51 9.619 9.609 0.010 1
1 666 . 9 1 1 A 51 51 ASN CA C 51 54.177 54.343 -0.166 1
1 667 . 9 1 1 A 51 51 ASN HA H 51 4.390 4.414 -0.024 1
1 668 . 9 1 1 A 51 51 ASN CB C 51 37.413 37.459 -0.046 1
1 671 . 9 1 1 A 51 51 ASN C C 51 175.249 174.648 0.601 1
1 672 . 9 1 1 A 52 52 GLY N N 52 102.845 103.883 -1.038 1
1 673 . 9 1 1 A 52 52 GLY H H 52 8.535 8.708 -0.173 1
1 674 . 9 1 1 A 52 52 GLY CA C 52 45.443 45.290 0.153 1
1 675 . 9 1 1 A 52 52 GLY HA2 H 52 3.555 3.880 -0.325 1
1 676 . 9 1 1 A 52 52 GLY HA3 H 52 4.120 3.883 0.237 1
1 677 . 9 1 1 A 52 52 GLY C C 52 176.398 173.733 2.665 1
1 678 . 9 1 1 A 53 53 LYS N N 53 121.989 120.733 1.256 1
1 679 . 9 1 1 A 53 53 LYS H H 53 7.849 8.171 -0.322 1
1 680 . 9 1 1 A 53 53 LYS CA C 53 54.807 54.833 -0.026 1
1 681 . 9 1 1 A 53 53 LYS HA H 53 4.641 4.423 0.218 1
1 682 . 9 1 1 A 53 53 LYS CB C 53 34.440 33.955 0.485 1
1 694 . 9 1 1 A 53 53 LYS C C 53 174.513 176.315 -1.802 1
1 695 . 9 1 1 A 54 54 THR N N 54 118.860 116.259 2.601 1
1 696 . 9 1 1 A 54 54 THR H H 54 8.445 8.369 0.076 1
1 697 . 9 1 1 A 54 54 THR CA C 54 62.074 61.637 0.437 1
1 698 . 9 1 1 A 54 54 THR HA H 54 5.167 4.753 0.414 1
1 699 . 9 1 1 A 54 54 THR CB C 54 70.071 69.747 0.324 1
1 705 . 9 1 1 A 54 54 THR C C 54 173.689 173.713 -0.024 1
1 706 . 9 1 1 A 55 55 TYR N N 55 125.966 121.716 4.250 1
1 707 . 9 1 1 A 55 55 TYR H H 55 9.319 9.648 -0.329 1
1 708 . 9 1 1 A 55 55 TYR CA C 55 56.507 56.214 0.293 1
1 709 . 9 1 1 A 55 55 TYR HA H 55 4.767 5.063 -0.296 1
1 710 . 9 1 1 A 55 55 TYR CB C 55 40.591 42.798 -2.207 1
1 721 . 9 1 1 A 55 55 TYR C C 55 173.538 175.172 -1.634 1
1 722 . 9 1 1 A 56 56 GLU N N 56 119.827 121.124 -1.297 1
1 723 . 9 1 1 A 56 56 GLU H H 56 8.568 8.873 -0.305 1
1 724 . 9 1 1 A 56 56 GLU CA C 56 54.503 55.156 -0.653 1
1 725 . 9 1 1 A 56 56 GLU HA H 56 5.247 5.379 -0.132 1
1 726 . 9 1 1 A 56 56 GLU CB C 56 30.297 33.199 -2.902 1
1 732 . 9 1 1 A 56 56 GLU C C 56 175.726 175.385 0.341 1
1 733 . 9 1 1 A 57 57 ARG N N 57 123.399 120.144 3.255 1
1 734 . 9 1 1 A 57 57 ARG H H 57 8.971 8.311 0.660 1
1 735 . 9 1 1 A 57 57 ARG CA C 57 54.944 55.001 -0.057 1
1 736 . 9 1 1 A 57 57 ARG HA H 57 4.710 5.066 -0.356 1
1 737 . 9 1 1 A 57 57 ARG CB C 57 33.362 34.131 -0.769 1
1 746 . 9 1 1 A 57 57 ARG C C 57 174.166 174.166 0.000 1
1 747 . 9 1 1 A 58 58 GLN N N 58 120.188 119.636 0.552 1
1 748 . 9 1 1 A 58 58 GLN H H 58 8.634 8.593 0.041 1
1 749 . 9 1 1 A 58 58 GLN CA C 58 53.251 54.570 -1.319 1
1 750 . 9 1 1 A 58 58 GLN HA H 58 5.602 5.370 0.232 1
1 751 . 9 1 1 A 58 58 GLN CB C 58 31.229 31.583 -0.354 1
1 760 . 9 1 1 A 58 58 GLN C C 58 175.726 174.542 1.184 1
1 761 . 9 1 1 A 59 59 GLY N N 59 107.196 108.346 -1.150 1
1 762 . 9 1 1 A 59 59 GLY H H 59 8.644 8.900 -0.256 1
1 763 . 9 1 1 A 59 59 GLY CA C 59 45.583 44.312 1.271 1
1 764 . 9 1 1 A 59 59 GLY HA2 H 59 3.947 4.156 -0.209 1
1 765 . 9 1 1 A 59 59 GLY HA3 H 59 3.947 4.371 -0.424 1
1 766 . 9 1 1 A 59 59 GLY C C 59 170.223 171.750 -1.527 1
1 767 . 9 1 1 A 60 60 PHE N N 60 119.079 119.079 0.000 1
1 768 . 9 1 1 A 60 60 PHE H H 60 9.178 8.621 0.557 1
1 769 . 9 1 1 A 60 60 PHE CA C 60 58.544 57.995 0.549 1
1 770 . 9 1 1 A 60 60 PHE HA H 60 5.668 5.215 0.453 1
1 771 . 9 1 1 A 60 60 PHE CB C 60 42.484 41.344 1.140 1
1 784 . 9 1 1 A 60 60 PHE C C 60 175.423 175.720 -0.297 1
1 785 . 9 1 1 A 61 61 VAL N N 61 111.060 116.978 -5.918 1
1 786 . 9 1 1 A 61 61 VAL H H 61 9.089 8.971 0.118 1
1 787 . 9 1 1 A 61 61 VAL CA C 61 58.189 58.578 -0.389 1
1 788 . 9 1 1 A 61 61 VAL HA H 61 4.833 4.882 -0.049 1
1 789 . 9 1 1 A 61 61 VAL CB C 61 33.744 35.067 -1.323 1
1 800 . 9 1 1 A 62 62 PRO CA C 62 61.852 62.162 -0.310 1
1 801 . 9 1 1 A 62 62 PRO HA H 62 3.572 4.241 -0.669 1
1 802 . 9 1 1 A 62 62 PRO CB C 62 29.704 30.887 -1.183 1
1 810 . 9 1 1 A 62 62 PRO C C 62 177.719 177.542 0.177 1
1 811 . 9 1 1 A 63 63 ALA N N 63 129.142 128.419 0.723 1
1 812 . 9 1 1 A 63 63 ALA H H 63 7.477 8.414 -0.937 1
1 813 . 9 1 1 A 63 63 ALA CA C 63 54.472 54.645 -0.173 1
1 814 . 9 1 1 A 63 63 ALA HA H 63 2.655 3.715 -1.060 1
1 818 . 9 1 1 A 63 63 ALA CB C 63 15.740 16.878 -1.138 1
1 819 . 9 1 1 A 63 63 ALA C C 63 178.434 179.841 -1.407 1
1 820 . 9 1 1 A 64 64 ALA N N 64 113.410 119.205 -5.795 1
1 821 . 9 1 1 A 64 64 ALA H H 64 7.857 8.137 -0.280 1
1 822 . 9 1 1 A 64 64 ALA CA C 64 52.991 54.371 -1.380 1
1 823 . 9 1 1 A 64 64 ALA HA H 64 4.006 3.977 0.029 1
1 827 . 9 1 1 A 64 64 ALA CB C 64 17.605 18.216 -0.611 1
1 828 . 9 1 1 A 64 64 ALA C C 64 178.109 178.131 -0.022 1
1 829 . 9 1 1 A 65 65 TYR N N 65 116.059 116.540 -0.481 1
1 830 . 9 1 1 A 65 65 TYR H H 65 7.705 7.772 -0.067 1
1 831 . 9 1 1 A 65 65 TYR CA C 65 56.477 59.045 -2.568 1
1 832 . 9 1 1 A 65 65 TYR HA H 65 4.758 4.543 0.215 1
1 833 . 9 1 1 A 65 65 TYR CB C 65 37.765 39.019 -1.254 1
1 844 . 9 1 1 A 65 65 TYR C C 65 174.361 175.684 -1.323 1
1 845 . 9 1 1 A 66 66 VAL N N 66 111.003 114.252 -3.249 1
1 846 . 9 1 1 A 66 66 VAL H H 66 7.422 7.472 -0.050 1
1 847 . 9 1 1 A 66 66 VAL CA C 66 58.268 59.326 -1.058 1
1 848 . 9 1 1 A 66 66 VAL HA H 66 5.547 4.917 0.630 1
1 849 . 9 1 1 A 66 66 VAL CB C 66 35.809 35.610 0.199 1
1 859 . 9 1 1 A 66 66 VAL C C 66 173.538 174.311 -0.773 1
1 860 . 9 1 1 A 67 67 LYS N N 67 118.514 118.440 0.074 1
1 861 . 9 1 1 A 67 67 LYS H H 67 8.636 8.953 -0.317 1
1 862 . 9 1 1 A 67 67 LYS CA C 67 53.828 54.649 -0.821 1
1 863 . 9 1 1 A 67 67 LYS HA H 67 4.840 5.012 -0.172 1
1 864 . 9 1 1 A 67 67 LYS CB C 67 36.636 35.404 1.232 1
1 876 . 9 1 1 A 67 67 LYS C C 67 176.029 175.357 0.672 1
1 877 . 9 1 1 A 68 68 LYS N N 68 125.817 120.896 4.921 1
1 878 . 9 1 1 A 68 68 LYS H H 68 9.246 8.783 0.463 1
1 879 . 9 1 1 A 68 68 LYS CA C 68 58.514 56.598 1.916 1
1 880 . 9 1 1 A 68 68 LYS HA H 68 4.494 4.452 0.042 1
1 881 . 9 1 1 A 68 68 LYS CB C 68 32.893 32.631 0.262 1
1 891 . 9 1 1 A 68 68 LYS C C 68 176.679 178.159 -1.480 1
1 892 . 9 1 1 A 69 69 LEU N N 69 125.294 123.467 1.827 1
1 893 . 9 1 1 A 69 69 LEU H H 69 8.506 8.687 -0.181 1
1 894 . 9 1 1 A 69 69 LEU CA C 69 54.873 57.755 -2.882 1
1 895 . 9 1 1 A 69 69 LEU HA H 69 4.429 3.902 0.527 1
1 896 . 9 1 1 A 69 69 LEU CB C 69 42.631 42.090 0.541 1
1 909 . 9 1 1 A 69 69 LEU C C 69 176.203 176.963 -0.760 1
1 10 . 10 1 1 A 2 2 ASP N N 2 123.392 120.016 3.376 1
1 11 . 10 1 1 A 2 2 ASP H H 2 8.830 7.941 0.889 1
1 12 . 10 1 1 A 2 2 ASP CA C 2 54.029 52.300 1.729 1
1 13 . 10 1 1 A 2 2 ASP HA H 2 4.699 4.821 -0.122 1
1 14 . 10 1 1 A 2 2 ASP CB C 2 40.198 40.098 0.100 1
1 17 . 10 1 1 A 2 2 ASP C C 2 175.639 176.773 -1.134 1
1 18 . 10 1 1 A 3 3 GLU N N 3 121.824 124.885 -3.061 1
1 19 . 10 1 1 A 3 3 GLU H H 3 8.663 8.263 0.400 1
1 20 . 10 1 1 A 3 3 GLU CA C 3 56.162 56.174 -0.012 1
1 21 . 10 1 1 A 3 3 GLU HA H 3 4.406 4.395 0.011 1
1 22 . 10 1 1 A 3 3 GLU CB C 3 28.702 31.155 -2.453 1
1 28 . 10 1 1 A 3 3 GLU C C 3 176.354 176.603 -0.249 1
1 29 . 10 1 1 A 4 4 THR N N 4 114.607 113.179 1.428 1
1 30 . 10 1 1 A 4 4 THR H H 4 8.285 8.054 0.231 1
1 31 . 10 1 1 A 4 4 THR CA C 4 62.425 63.234 -0.809 1
1 32 . 10 1 1 A 4 4 THR HA H 4 4.267 4.028 0.239 1
1 33 . 10 1 1 A 4 4 THR CB C 4 69.672 66.618 3.054 1
1 39 . 10 1 1 A 4 4 THR C C 4 175.271 175.160 0.111 1
1 40 . 10 1 1 A 5 5 GLY N N 5 111.345 110.269 1.076 1
1 41 . 10 1 1 A 5 5 GLY H H 5 8.436 8.103 0.333 1
1 42 . 10 1 1 A 5 5 GLY CA C 5 45.297 45.756 -0.459 1
1 43 . 10 1 1 A 5 5 GLY HA2 H 5 3.942 3.998 -0.056 1
1 44 . 10 1 1 A 5 5 GLY HA3 H 5 3.942 4.000 -0.058 1
1 45 . 10 1 1 A 5 5 GLY C C 5 173.668 174.135 -0.467 1
1 46 . 10 1 1 A 6 6 LYS N N 6 119.783 117.483 2.300 1
1 47 . 10 1 1 A 6 6 LYS H H 6 8.017 7.626 0.391 1
1 48 . 10 1 1 A 6 6 LYS CA C 6 55.538 57.009 -1.471 1
1 49 . 10 1 1 A 6 6 LYS HA H 6 4.387 4.439 -0.052 1
1 50 . 10 1 1 A 6 6 LYS CB C 6 33.257 34.607 -1.350 1
1 62 . 10 1 1 A 6 6 LYS C C 6 176.029 176.212 -0.183 1
1 63 . 10 1 1 A 7 7 GLU N N 7 122.414 117.100 5.314 1
1 64 . 10 1 1 A 7 7 GLU H H 7 8.584 7.798 0.786 1
1 65 . 10 1 1 A 7 7 GLU CA C 7 55.404 55.286 0.118 1
1 66 . 10 1 1 A 7 7 GLU HA H 7 4.495 4.797 -0.302 1
1 67 . 10 1 1 A 7 7 GLU CB C 7 30.382 31.269 -0.887 1
1 73 . 10 1 1 A 7 7 GLU C C 7 174.014 174.692 -0.678 1
1 74 . 10 1 1 A 8 8 LEU N N 8 122.989 127.530 -4.541 1
1 75 . 10 1 1 A 8 8 LEU H H 8 8.414 8.987 -0.573 1
1 76 . 10 1 1 A 8 8 LEU CA C 8 53.188 53.419 -0.231 1
1 77 . 10 1 1 A 8 8 LEU HA H 8 5.381 5.244 0.137 1
1 78 . 10 1 1 A 8 8 LEU CB C 8 45.173 45.184 -0.011 1
1 90 . 10 1 1 A 8 8 LEU C C 8 177.329 175.284 2.045 1
1 91 . 10 1 1 A 9 9 VAL N N 9 111.709 120.372 -8.663 1
1 92 . 10 1 1 A 9 9 VAL H H 9 9.125 9.227 -0.102 1
1 93 . 10 1 1 A 9 9 VAL CA C 9 57.854 59.480 -1.626 1
1 94 . 10 1 1 A 9 9 VAL HA H 9 5.232 5.060 0.172 1
1 95 . 10 1 1 A 9 9 VAL CB C 9 35.864 35.569 0.295 1
1 105 . 10 1 1 A 9 9 VAL C C 9 172.368 173.926 -1.558 1
1 106 . 10 1 1 A 10 10 LEU N N 10 123.520 127.368 -3.848 1
1 107 . 10 1 1 A 10 10 LEU H H 10 8.989 9.123 -0.134 1
1 108 . 10 1 1 A 10 10 LEU CA C 10 52.445 53.293 -0.848 1
1 109 . 10 1 1 A 10 10 LEU HA H 10 5.113 5.439 -0.326 1
1 110 . 10 1 1 A 10 10 LEU CB C 10 46.776 45.053 1.723 1
1 123 . 10 1 1 A 10 10 LEU C C 10 176.549 174.960 1.589 1
1 124 . 10 1 1 A 11 11 ALA N N 11 127.272 128.450 -1.178 1
1 125 . 10 1 1 A 11 11 ALA H H 11 9.163 8.784 0.379 1
1 126 . 10 1 1 A 11 11 ALA CA C 11 52.416 51.278 1.138 1
1 127 . 10 1 1 A 11 11 ALA HA H 11 4.602 4.629 -0.027 1
1 131 . 10 1 1 A 11 11 ALA CB C 11 19.274 20.095 -0.821 1
1 132 . 10 1 1 A 11 11 ALA C C 11 178.282 177.134 1.148 1
1 133 . 10 1 1 A 12 12 LEU N N 12 127.769 125.011 2.758 1
1 134 . 10 1 1 A 12 12 LEU H H 12 9.257 9.066 0.191 1
1 135 . 10 1 1 A 12 12 LEU CA C 12 55.442 55.825 -0.383 1
1 136 . 10 1 1 A 12 12 LEU HA H 12 3.898 4.298 -0.400 1
1 137 . 10 1 1 A 12 12 LEU CB C 12 43.110 42.510 0.600 1
1 150 . 10 1 1 A 12 12 LEU C C 12 174.946 176.524 -1.578 1
1 151 . 10 1 1 A 13 13 TYR N N 13 111.673 115.835 -4.162 1
1 152 . 10 1 1 A 13 13 TYR H H 13 7.129 8.018 -0.889 1
1 153 . 10 1 1 A 13 13 TYR CA C 13 54.720 56.739 -2.019 1
1 154 . 10 1 1 A 13 13 TYR HA H 13 4.633 4.975 -0.342 1
1 155 . 10 1 1 A 13 13 TYR CB C 13 43.043 41.036 2.007 1
1 166 . 10 1 1 A 13 13 TYR C C 13 173.668 175.021 -1.353 1
1 167 . 10 1 1 A 14 14 ASP N N 14 117.814 120.822 -3.008 1
1 168 . 10 1 1 A 14 14 ASP H H 14 8.347 8.830 -0.483 1
1 169 . 10 1 1 A 14 14 ASP CA C 14 54.571 53.276 1.295 1
1 170 . 10 1 1 A 14 14 ASP HA H 14 4.633 5.381 -0.748 1
1 171 . 10 1 1 A 14 14 ASP CB C 14 41.136 42.436 -1.300 1
1 174 . 10 1 1 A 14 14 ASP C C 14 176.051 174.898 1.153 1
1 175 . 10 1 1 A 15 15 TYR N N 15 120.213 122.044 -1.831 1
1 176 . 10 1 1 A 15 15 TYR H H 15 8.748 9.149 -0.401 1
1 177 . 10 1 1 A 15 15 TYR CA C 15 59.454 58.236 1.218 1
1 178 . 10 1 1 A 15 15 TYR HA H 15 4.654 5.072 -0.418 1
1 179 . 10 1 1 A 15 15 TYR CB C 15 43.400 41.879 1.521 1
1 190 . 10 1 1 A 15 15 TYR C C 15 172.758 173.867 -1.109 1
1 191 . 10 1 1 A 16 16 GLN N N 16 126.986 122.072 4.914 1
1 192 . 10 1 1 A 16 16 GLN H H 16 7.558 7.739 -0.181 1
1 193 . 10 1 1 A 16 16 GLN CA C 16 53.534 53.695 -0.161 1
1 194 . 10 1 1 A 16 16 GLN HA H 16 4.500 4.939 -0.439 1
1 195 . 10 1 1 A 16 16 GLN CB C 16 29.071 32.109 -3.038 1
1 204 . 10 1 1 A 16 16 GLN C C 16 173.863 174.425 -0.562 1
1 205 . 10 1 1 A 17 17 GLU N N 17 123.063 121.201 1.862 1
1 206 . 10 1 1 A 17 17 GLU H H 17 7.979 8.766 -0.787 1
1 207 . 10 1 1 A 17 17 GLU CA C 17 55.935 56.769 -0.834 1
1 208 . 10 1 1 A 17 17 GLU HA H 17 4.182 4.378 -0.196 1
1 209 . 10 1 1 A 17 17 GLU CB C 17 28.948 30.107 -1.159 1
1 215 . 10 1 1 A 17 17 GLU C C 17 175.899 176.871 -0.972 1
1 216 . 10 1 1 A 18 18 LYS N N 18 120.853 119.801 1.052 1
1 217 . 10 1 1 A 18 18 LYS H H 18 8.771 8.850 -0.079 1
1 218 . 10 1 1 A 18 18 LYS CA C 18 55.393 56.476 -1.083 1
1 219 . 10 1 1 A 18 18 LYS HA H 18 4.390 4.607 -0.217 1
1 220 . 10 1 1 A 18 18 LYS CB C 18 33.393 34.614 -1.221 1
1 232 . 10 1 1 A 18 18 LYS C C 18 176.138 176.395 -0.257 1
1 233 . 10 1 1 A 19 19 SER N N 19 115.089 115.605 -0.516 1
1 234 . 10 1 1 A 19 19 SER H H 19 7.658 7.859 -0.201 1
1 235 . 10 1 1 A 19 19 SER CA C 19 56.821 55.735 1.086 1
1 236 . 10 1 1 A 19 19 SER HA H 19 4.863 4.868 -0.005 1
1 237 . 10 1 1 A 19 19 SER CB C 19 64.208 64.973 -0.765 1
1 241 . 10 1 1 A 20 20 PRO CA C 20 64.803 64.370 0.433 1
1 242 . 10 1 1 A 20 20 PRO HA H 20 4.521 4.504 0.017 1
1 243 . 10 1 1 A 20 20 PRO CB C 20 31.657 31.710 -0.053 1
1 251 . 10 1 1 A 20 20 PRO C C 20 176.657 177.365 -0.708 1
1 252 . 10 1 1 A 21 21 ARG N N 21 113.827 116.690 -2.863 1
1 253 . 10 1 1 A 21 21 ARG H H 21 7.694 8.303 -0.609 1
1 254 . 10 1 1 A 21 21 ARG CA C 21 56.119 57.141 -1.022 1
1 255 . 10 1 1 A 21 21 ARG HA H 21 4.593 4.356 0.237 1
1 256 . 10 1 1 A 21 21 ARG CB C 21 30.299 31.235 -0.936 1
1 265 . 10 1 1 A 21 21 ARG C C 21 173.386 176.965 -3.579 1
1 266 . 10 1 1 A 22 22 GLU N N 22 121.389 118.011 3.378 1
1 267 . 10 1 1 A 22 22 GLU H H 22 7.850 8.064 -0.214 1
1 268 . 10 1 1 A 22 22 GLU CA C 22 54.951 55.603 -0.652 1
1 269 . 10 1 1 A 22 22 GLU HA H 22 5.487 4.785 0.702 1
1 270 . 10 1 1 A 22 22 GLU CB C 22 33.588 31.456 2.132 1
1 276 . 10 1 1 A 22 22 GLU C C 22 174.491 175.811 -1.320 1
1 277 . 10 1 1 A 23 23 VAL N N 23 113.069 118.365 -5.296 1
1 278 . 10 1 1 A 23 23 VAL H H 23 7.410 8.792 -1.382 1
1 279 . 10 1 1 A 23 23 VAL CA C 23 59.793 59.352 0.441 1
1 280 . 10 1 1 A 23 23 VAL HA H 23 4.531 4.852 -0.321 1
1 281 . 10 1 1 A 23 23 VAL CB C 23 34.667 35.638 -0.971 1
1 291 . 10 1 1 A 23 23 VAL C C 23 172.541 174.354 -1.813 1
1 292 . 10 1 1 A 24 24 THR N N 24 118.283 119.288 -1.005 1
1 293 . 10 1 1 A 24 24 THR H H 24 7.362 8.846 -1.484 1
1 294 . 10 1 1 A 24 24 THR CA C 24 61.708 62.591 -0.883 1
1 295 . 10 1 1 A 24 24 THR HA H 24 5.085 4.685 0.400 1
1 296 . 10 1 1 A 24 24 THR CB C 24 70.934 69.642 1.292 1
1 302 . 10 1 1 A 24 24 THR C C 24 174.274 174.519 -0.245 1
1 303 . 10 1 1 A 25 25 MET N N 25 121.971 123.897 -1.926 1
1 304 . 10 1 1 A 25 25 MET H H 25 9.523 9.338 0.185 1
1 305 . 10 1 1 A 25 25 MET CA C 25 54.328 53.160 1.168 1
1 306 . 10 1 1 A 25 25 MET HA H 25 4.929 5.613 -0.684 1
1 307 . 10 1 1 A 25 25 MET CB C 25 36.287 35.946 0.341 1
1 317 . 10 1 1 A 25 25 MET C C 25 173.841 174.762 -0.921 1
1 318 . 10 1 1 A 26 26 LYS N N 26 124.399 119.580 4.819 1
1 319 . 10 1 1 A 26 26 LYS H H 26 8.820 8.837 -0.017 1
1 320 . 10 1 1 A 26 26 LYS CA C 26 53.699 54.358 -0.659 1
1 321 . 10 1 1 A 26 26 LYS HA H 26 4.879 4.949 -0.070 1
1 322 . 10 1 1 A 26 26 LYS CB C 26 34.097 36.812 -2.715 1
1 332 . 10 1 1 A 26 26 LYS C C 26 174.968 176.537 -1.569 1
1 333 . 10 1 1 A 27 27 LYS N N 27 122.619 121.588 1.031 1
1 334 . 10 1 1 A 27 27 LYS H H 27 9.013 8.723 0.290 1
1 335 . 10 1 1 A 27 27 LYS CA C 27 58.078 58.890 -0.812 1
1 336 . 10 1 1 A 27 27 LYS HA H 27 4.837 3.779 1.058 1
1 337 . 10 1 1 A 27 27 LYS CB C 27 32.269 32.233 0.036 1
1 349 . 10 1 1 A 27 27 LYS C C 27 177.307 177.464 -0.157 1
1 350 . 10 1 1 A 28 28 GLY N N 28 115.785 112.541 3.244 1
1 351 . 10 1 1 A 28 28 GLY H H 28 8.902 9.133 -0.231 1
1 352 . 10 1 1 A 28 28 GLY CA C 28 44.564 45.434 -0.870 1
1 353 . 10 1 1 A 28 28 GLY HA2 H 28 3.538 3.916 -0.378 1
1 354 . 10 1 1 A 28 28 GLY HA3 H 28 4.481 3.916 0.565 1
1 355 . 10 1 1 A 28 28 GLY C C 28 174.014 174.115 -0.101 1
1 356 . 10 1 1 A 29 29 ASP N N 29 122.243 121.661 0.582 1
1 357 . 10 1 1 A 29 29 ASP H H 29 8.511 8.239 0.272 1
1 358 . 10 1 1 A 29 29 ASP CA C 29 55.353 54.202 1.151 1
1 359 . 10 1 1 A 29 29 ASP HA H 29 4.523 4.703 -0.180 1
1 360 . 10 1 1 A 29 29 ASP CB C 29 41.146 42.492 -1.346 1
1 363 . 10 1 1 A 29 29 ASP C C 29 174.274 175.613 -1.339 1
1 364 . 10 1 1 A 30 30 ILE N N 30 120.587 125.394 -4.807 1
1 365 . 10 1 1 A 30 30 ILE H H 30 8.227 8.590 -0.363 1
1 366 . 10 1 1 A 30 30 ILE CA C 30 60.366 59.972 0.394 1
1 367 . 10 1 1 A 30 30 ILE HA H 30 5.036 5.026 0.010 1
1 368 . 10 1 1 A 30 30 ILE CB C 30 38.210 40.452 -2.242 1
1 381 . 10 1 1 A 30 30 ILE C C 30 176.246 174.866 1.380 1
1 382 . 10 1 1 A 31 31 LEU N N 31 128.265 127.346 0.919 1
1 383 . 10 1 1 A 31 31 LEU H H 31 9.353 8.970 0.383 1
1 384 . 10 1 1 A 31 31 LEU CA C 31 53.414 53.617 -0.203 1
1 385 . 10 1 1 A 31 31 LEU HA H 31 5.010 5.078 -0.068 1
1 386 . 10 1 1 A 31 31 LEU CB C 31 43.893 45.973 -2.080 1
1 397 . 10 1 1 A 31 31 LEU C C 31 175.596 175.442 0.154 1
1 398 . 10 1 1 A 32 32 THR N N 32 117.027 117.767 -0.740 1
1 399 . 10 1 1 A 32 32 THR H H 32 8.146 8.725 -0.579 1
1 400 . 10 1 1 A 32 32 THR CA C 32 63.046 62.312 0.734 1
1 401 . 10 1 1 A 32 32 THR HA H 32 4.629 5.072 -0.443 1
1 402 . 10 1 1 A 32 32 THR CB C 32 69.576 69.613 -0.037 1
1 408 . 10 1 1 A 32 32 THR C C 32 173.559 174.860 -1.301 1
1 409 . 10 1 1 A 33 33 LEU N N 33 129.212 128.865 0.347 1
1 410 . 10 1 1 A 33 33 LEU H H 33 9.070 8.365 0.705 1
1 411 . 10 1 1 A 33 33 LEU CA C 33 54.894 56.215 -1.321 1
1 412 . 10 1 1 A 33 33 LEU HA H 33 4.351 4.339 0.012 1
1 413 . 10 1 1 A 33 33 LEU CB C 33 43.191 41.989 1.202 1
1 426 . 10 1 1 A 33 33 LEU C C 33 174.513 176.562 -2.049 1
1 427 . 10 1 1 A 34 34 LEU N N 34 125.818 130.117 -4.299 1
1 428 . 10 1 1 A 34 34 LEU H H 34 9.060 9.208 -0.148 1
1 429 . 10 1 1 A 34 34 LEU CA C 34 54.885 55.686 -0.801 1
1 430 . 10 1 1 A 34 34 LEU HA H 34 4.523 4.493 0.030 1
1 431 . 10 1 1 A 34 34 LEU CB C 34 42.990 43.235 -0.245 1
1 443 . 10 1 1 A 34 34 LEU C C 34 177.502 175.837 1.665 1
1 444 . 10 1 1 A 35 35 ASN N N 35 114.008 117.429 -3.421 1
1 445 . 10 1 1 A 35 35 ASN H H 35 7.617 8.004 -0.387 1
1 446 . 10 1 1 A 35 35 ASN CA C 35 54.502 52.909 1.593 1
1 447 . 10 1 1 A 35 35 ASN HA H 35 4.736 4.982 -0.246 1
1 448 . 10 1 1 A 35 35 ASN CB C 35 40.933 40.503 0.430 1
1 454 . 10 1 1 A 35 35 ASN C C 35 174.318 174.374 -0.056 1
1 455 . 10 1 1 A 36 36 SER N N 36 123.608 118.261 5.347 1
1 456 . 10 1 1 A 36 36 SER H H 36 9.172 8.403 0.769 1
1 457 . 10 1 1 A 36 36 SER CA C 36 56.915 57.141 -0.226 1
1 458 . 10 1 1 A 36 36 SER HA H 36 3.940 4.391 -0.451 1
1 459 . 10 1 1 A 36 36 SER CB C 36 62.042 62.412 -0.370 1
1 462 . 10 1 1 A 36 36 SER C C 36 173.364 175.339 -1.975 1
1 463 . 10 1 1 A 37 37 THR N N 37 115.130 115.694 -0.564 1
1 464 . 10 1 1 A 37 37 THR H H 37 8.184 7.690 0.494 1
1 465 . 10 1 1 A 37 37 THR CA C 37 65.381 65.388 -0.007 1
1 466 . 10 1 1 A 37 37 THR HA H 37 3.980 4.007 -0.027 1
1 467 . 10 1 1 A 37 37 THR CB C 37 69.489 69.306 0.183 1
1 473 . 10 1 1 A 37 37 THR C C 37 175.249 174.546 0.703 1
1 474 . 10 1 1 A 38 38 ASN N N 38 122.469 117.727 4.742 1
1 475 . 10 1 1 A 38 38 ASN H H 38 8.681 8.281 0.400 1
1 476 . 10 1 1 A 38 38 ASN CA C 38 53.337 52.257 1.080 1
1 477 . 10 1 1 A 38 38 ASN HA H 38 4.867 5.136 -0.269 1
1 478 . 10 1 1 A 38 38 ASN CB C 38 40.376 40.293 0.083 1
1 484 . 10 1 1 A 38 38 ASN C C 38 174.599 174.902 -0.303 1
1 485 . 10 1 1 A 39 39 LYS N N 39 120.915 120.615 0.300 1
1 486 . 10 1 1 A 39 39 LYS H H 39 8.516 8.850 -0.334 1
1 487 . 10 1 1 A 39 39 LYS CA C 39 58.333 56.884 1.449 1
1 488 . 10 1 1 A 39 39 LYS HA H 39 4.247 4.667 -0.420 1
1 489 . 10 1 1 A 39 39 LYS CB C 39 32.371 33.261 -0.890 1
1 499 . 10 1 1 A 39 39 LYS C C 39 176.268 177.817 -1.549 1
1 500 . 10 1 1 A 40 40 ASP N N 40 114.512 117.375 -2.863 1
1 501 . 10 1 1 A 40 40 ASP H H 40 8.210 7.848 0.362 1
1 502 . 10 1 1 A 40 40 ASP CA C 40 55.083 55.829 -0.746 1
1 503 . 10 1 1 A 40 40 ASP HA H 40 4.544 4.336 0.208 1
1 504 . 10 1 1 A 40 40 ASP CB C 40 43.014 41.863 1.151 1
1 507 . 10 1 1 A 40 40 ASP C C 40 176.852 175.806 1.046 1
1 508 . 10 1 1 A 41 41 TRP N N 41 122.703 116.374 6.329 1
1 509 . 10 1 1 A 41 41 TRP H H 41 8.212 8.087 0.125 1
1 510 . 10 1 1 A 41 41 TRP CA C 41 56.005 56.188 -0.183 1
1 511 . 10 1 1 A 41 41 TRP HA H 41 5.078 5.262 -0.184 1
1 512 . 10 1 1 A 41 41 TRP CB C 41 32.019 30.239 1.780 1
1 527 . 10 1 1 A 41 41 TRP C C 41 174.166 175.801 -1.635 1
1 528 . 10 1 1 A 42 42 TRP N N 42 124.905 124.712 0.193 1
1 529 . 10 1 1 A 42 42 TRP H H 42 9.380 9.510 -0.130 1
1 530 . 10 1 1 A 42 42 TRP CA C 42 53.861 55.789 -1.928 1
1 531 . 10 1 1 A 42 42 TRP HA H 42 5.523 5.226 0.297 1
1 532 . 10 1 1 A 42 42 TRP CB C 42 31.543 31.083 0.460 1
1 547 . 10 1 1 A 42 42 TRP C C 42 174.144 176.088 -1.944 1
1 548 . 10 1 1 A 43 43 LYS N N 43 124.120 123.125 0.995 1
1 549 . 10 1 1 A 43 43 LYS H H 43 8.896 9.066 -0.170 1
1 550 . 10 1 1 A 43 43 LYS CA C 43 55.231 55.713 -0.482 1
1 551 . 10 1 1 A 43 43 LYS HA H 43 4.396 5.003 -0.607 1
1 552 . 10 1 1 A 43 43 LYS CB C 43 34.366 33.237 1.129 1
1 564 . 10 1 1 A 43 43 LYS C C 43 175.423 175.828 -0.405 1
1 565 . 10 1 1 A 44 44 VAL N N 44 121.984 117.745 4.239 1
1 566 . 10 1 1 A 44 44 VAL H H 44 9.430 9.006 0.424 1
1 567 . 10 1 1 A 44 44 VAL CA C 44 58.751 58.656 0.095 1
1 568 . 10 1 1 A 44 44 VAL HA H 44 5.375 5.215 0.160 1
1 569 . 10 1 1 A 44 44 VAL CB C 44 36.378 35.583 0.795 1
1 579 . 10 1 1 A 44 44 VAL C C 44 173.234 173.390 -0.156 1
1 580 . 10 1 1 A 45 45 GLU N N 45 118.425 122.384 -3.959 1
1 581 . 10 1 1 A 45 45 GLU H H 45 8.757 9.186 -0.429 1
1 582 . 10 1 1 A 45 45 GLU CA C 45 54.139 54.924 -0.785 1
1 583 . 10 1 1 A 45 45 GLU HA H 45 5.423 5.452 -0.029 1
1 584 . 10 1 1 A 45 45 GLU CB C 45 32.891 32.722 0.169 1
1 590 . 10 1 1 A 45 45 GLU C C 45 174.621 175.654 -1.033 1
1 591 . 10 1 1 A 46 46 VAL N N 46 123.694 120.455 3.239 1
1 592 . 10 1 1 A 46 46 VAL H H 46 9.089 9.102 -0.013 1
1 593 . 10 1 1 A 46 46 VAL CA C 46 59.627 59.321 0.306 1
1 594 . 10 1 1 A 46 46 VAL HA H 46 4.669 5.115 -0.446 1
1 595 . 10 1 1 A 46 46 VAL CB C 46 35.290 35.625 -0.335 1
1 604 . 10 1 1 A 46 46 VAL C C 46 173.234 173.578 -0.344 1
1 605 . 10 1 1 A 47 47 LYS N N 47 124.893 121.814 3.079 1
1 606 . 10 1 1 A 47 47 LYS H H 47 8.455 8.730 -0.275 1
1 607 . 10 1 1 A 47 47 LYS CA C 47 55.404 54.764 0.640 1
1 608 . 10 1 1 A 47 47 LYS HA H 47 5.022 5.111 -0.089 1
1 609 . 10 1 1 A 47 47 LYS CB C 47 33.959 35.055 -1.096 1
1 619 . 10 1 1 A 47 47 LYS C C 47 175.899 174.858 1.041 1
1 620 . 10 1 1 A 48 48 ILE N N 48 124.447 128.774 -4.327 1
1 621 . 10 1 1 A 48 48 ILE H H 48 8.989 9.229 -0.240 1
1 622 . 10 1 1 A 48 48 ILE CA C 48 59.646 60.373 -0.727 1
1 623 . 10 1 1 A 48 48 ILE HA H 48 4.529 4.858 -0.329 1
1 624 . 10 1 1 A 48 48 ILE CB C 48 41.170 40.168 1.002 1
1 637 . 10 1 1 A 48 48 ILE C C 48 174.144 175.543 -1.399 1
1 638 . 10 1 1 A 49 49 THR N N 49 121.012 122.528 -1.516 1
1 639 . 10 1 1 A 49 49 THR H H 49 8.570 8.745 -0.175 1
1 640 . 10 1 1 A 49 49 THR CA C 49 61.301 61.934 -0.633 1
1 641 . 10 1 1 A 49 49 THR HA H 49 5.272 5.285 -0.013 1
1 642 . 10 1 1 A 49 49 THR CB C 49 69.853 70.314 -0.461 1
1 648 . 10 1 1 A 49 49 THR C C 49 174.318 173.753 0.565 1
1 649 . 10 1 1 A 50 50 VAL N N 50 126.754 126.335 0.419 1
1 650 . 10 1 1 A 50 50 VAL H H 50 9.104 9.007 0.097 1
1 651 . 10 1 1 A 50 50 VAL CA C 50 61.070 61.401 -0.331 1
1 652 . 10 1 1 A 50 50 VAL HA H 50 4.292 4.565 -0.273 1
1 653 . 10 1 1 A 50 50 VAL CB C 50 34.452 34.337 0.115 1
1 663 . 10 1 1 A 50 50 VAL C C 50 175.899 176.133 -0.234 1
1 664 . 10 1 1 A 51 51 ASN N N 51 127.590 127.409 0.181 1
1 665 . 10 1 1 A 51 51 ASN H H 51 9.619 9.491 0.128 1
1 666 . 10 1 1 A 51 51 ASN CA C 51 54.177 54.798 -0.621 1
1 667 . 10 1 1 A 51 51 ASN HA H 51 4.390 4.490 -0.100 1
1 668 . 10 1 1 A 51 51 ASN CB C 51 37.413 37.315 0.098 1
1 671 . 10 1 1 A 51 51 ASN C C 51 175.249 175.644 -0.395 1
1 672 . 10 1 1 A 52 52 GLY N N 52 102.845 103.896 -1.051 1
1 673 . 10 1 1 A 52 52 GLY H H 52 8.535 8.690 -0.155 1
1 674 . 10 1 1 A 52 52 GLY CA C 52 45.443 45.592 -0.149 1
1 675 . 10 1 1 A 52 52 GLY HA2 H 52 3.555 3.894 -0.339 1
1 676 . 10 1 1 A 52 52 GLY HA3 H 52 4.120 3.895 0.225 1
1 677 . 10 1 1 A 52 52 GLY C C 52 176.398 173.811 2.587 1
1 678 . 10 1 1 A 53 53 LYS N N 53 121.989 120.575 1.414 1
1 679 . 10 1 1 A 53 53 LYS H H 53 7.849 8.091 -0.242 1
1 680 . 10 1 1 A 53 53 LYS CA C 53 54.807 54.452 0.355 1
1 681 . 10 1 1 A 53 53 LYS HA H 53 4.641 4.537 0.104 1
1 682 . 10 1 1 A 53 53 LYS CB C 53 34.440 34.798 -0.358 1
1 694 . 10 1 1 A 53 53 LYS C C 53 174.513 175.761 -1.248 1
1 695 . 10 1 1 A 54 54 THR N N 54 118.860 116.354 2.506 1
1 696 . 10 1 1 A 54 54 THR H H 54 8.445 8.537 -0.092 1
1 697 . 10 1 1 A 54 54 THR CA C 54 62.074 61.055 1.019 1
1 698 . 10 1 1 A 54 54 THR HA H 54 5.167 4.977 0.190 1
1 699 . 10 1 1 A 54 54 THR CB C 54 70.071 69.782 0.289 1
1 705 . 10 1 1 A 54 54 THR C C 54 173.689 173.538 0.151 1
1 706 . 10 1 1 A 55 55 TYR N N 55 125.966 122.236 3.730 1
1 707 . 10 1 1 A 55 55 TYR H H 55 9.319 9.622 -0.303 1
1 708 . 10 1 1 A 55 55 TYR CA C 55 56.507 56.203 0.304 1
1 709 . 10 1 1 A 55 55 TYR HA H 55 4.767 5.095 -0.328 1
1 710 . 10 1 1 A 55 55 TYR CB C 55 40.591 42.592 -2.001 1
1 721 . 10 1 1 A 55 55 TYR C C 55 173.538 175.420 -1.882 1
1 722 . 10 1 1 A 56 56 GLU N N 56 119.827 121.336 -1.509 1
1 723 . 10 1 1 A 56 56 GLU H H 56 8.568 8.890 -0.322 1
1 724 . 10 1 1 A 56 56 GLU CA C 56 54.503 55.175 -0.672 1
1 725 . 10 1 1 A 56 56 GLU HA H 56 5.247 5.401 -0.154 1
1 726 . 10 1 1 A 56 56 GLU CB C 56 30.297 32.713 -2.416 1
1 732 . 10 1 1 A 56 56 GLU C C 56 175.726 175.408 0.318 1
1 733 . 10 1 1 A 57 57 ARG N N 57 123.399 121.095 2.304 1
1 734 . 10 1 1 A 57 57 ARG H H 57 8.971 8.408 0.563 1
1 735 . 10 1 1 A 57 57 ARG CA C 57 54.944 54.747 0.197 1
1 736 . 10 1 1 A 57 57 ARG HA H 57 4.710 5.095 -0.385 1
1 737 . 10 1 1 A 57 57 ARG CB C 57 33.362 34.158 -0.796 1
1 746 . 10 1 1 A 57 57 ARG C C 57 174.166 174.506 -0.340 1
1 747 . 10 1 1 A 58 58 GLN N N 58 120.188 119.700 0.488 1
1 748 . 10 1 1 A 58 58 GLN H H 58 8.634 8.662 -0.028 1
1 749 . 10 1 1 A 58 58 GLN CA C 58 53.251 54.511 -1.260 1
1 750 . 10 1 1 A 58 58 GLN HA H 58 5.602 5.392 0.210 1
1 751 . 10 1 1 A 58 58 GLN CB C 58 31.229 31.242 -0.013 1
1 760 . 10 1 1 A 58 58 GLN C C 58 175.726 174.532 1.194 1
1 761 . 10 1 1 A 59 59 GLY N N 59 107.196 109.205 -2.009 1
1 762 . 10 1 1 A 59 59 GLY H H 59 8.644 8.976 -0.332 1
1 763 . 10 1 1 A 59 59 GLY CA C 59 45.583 44.328 1.255 1
1 764 . 10 1 1 A 59 59 GLY HA2 H 59 3.947 4.153 -0.206 1
1 765 . 10 1 1 A 59 59 GLY HA3 H 59 3.947 4.363 -0.416 1
1 766 . 10 1 1 A 59 59 GLY C C 59 170.223 171.831 -1.608 1
1 767 . 10 1 1 A 60 60 PHE N N 60 119.079 118.876 0.203 1
1 768 . 10 1 1 A 60 60 PHE H H 60 9.178 8.692 0.486 1
1 769 . 10 1 1 A 60 60 PHE CA C 60 58.544 57.775 0.769 1
1 770 . 10 1 1 A 60 60 PHE HA H 60 5.668 5.435 0.233 1
1 771 . 10 1 1 A 60 60 PHE CB C 60 42.484 42.001 0.483 1
1 784 . 10 1 1 A 60 60 PHE C C 60 175.423 175.687 -0.264 1
1 785 . 10 1 1 A 61 61 VAL N N 61 111.060 116.738 -5.678 1
1 786 . 10 1 1 A 61 61 VAL H H 61 9.089 9.099 -0.010 1
1 787 . 10 1 1 A 61 61 VAL CA C 61 58.189 58.651 -0.462 1
1 788 . 10 1 1 A 61 61 VAL HA H 61 4.833 4.960 -0.127 1
1 789 . 10 1 1 A 61 61 VAL CB C 61 33.744 35.103 -1.359 1
1 800 . 10 1 1 A 62 62 PRO CA C 62 61.852 62.216 -0.364 1
1 801 . 10 1 1 A 62 62 PRO HA H 62 3.572 4.323 -0.751 1
1 802 . 10 1 1 A 62 62 PRO CB C 62 29.704 30.948 -1.244 1
1 810 . 10 1 1 A 62 62 PRO C C 62 177.719 177.430 0.289 1
1 811 . 10 1 1 A 63 63 ALA N N 63 129.142 128.300 0.842 1
1 812 . 10 1 1 A 63 63 ALA H H 63 7.477 8.426 -0.949 1
1 813 . 10 1 1 A 63 63 ALA CA C 63 54.472 54.476 -0.004 1
1 814 . 10 1 1 A 63 63 ALA HA H 63 2.655 3.709 -1.054 1
1 818 . 10 1 1 A 63 63 ALA CB C 63 15.740 17.038 -1.298 1
1 819 . 10 1 1 A 63 63 ALA C C 63 178.434 179.559 -1.125 1
1 820 . 10 1 1 A 64 64 ALA N N 64 113.410 119.381 -5.971 1
1 821 . 10 1 1 A 64 64 ALA H H 64 7.857 8.083 -0.226 1
1 822 . 10 1 1 A 64 64 ALA CA C 64 52.991 54.194 -1.203 1
1 823 . 10 1 1 A 64 64 ALA HA H 64 4.006 4.018 -0.012 1
1 827 . 10 1 1 A 64 64 ALA CB C 64 17.605 18.245 -0.640 1
1 828 . 10 1 1 A 64 64 ALA C C 64 178.109 178.143 -0.034 1
1 829 . 10 1 1 A 65 65 TYR N N 65 116.059 116.576 -0.517 1
1 830 . 10 1 1 A 65 65 TYR H H 65 7.705 7.918 -0.213 1
1 831 . 10 1 1 A 65 65 TYR CA C 65 56.477 58.316 -1.839 1
1 832 . 10 1 1 A 65 65 TYR HA H 65 4.758 4.610 0.148 1
1 833 . 10 1 1 A 65 65 TYR CB C 65 37.765 39.036 -1.271 1
1 844 . 10 1 1 A 65 65 TYR C C 65 174.361 175.596 -1.235 1
1 845 . 10 1 1 A 66 66 VAL N N 66 111.003 115.087 -4.084 1
1 846 . 10 1 1 A 66 66 VAL H H 66 7.422 7.550 -0.128 1
1 847 . 10 1 1 A 66 66 VAL CA C 66 58.268 59.048 -0.780 1
1 848 . 10 1 1 A 66 66 VAL HA H 66 5.547 5.050 0.497 1
1 849 . 10 1 1 A 66 66 VAL CB C 66 35.809 36.655 -0.846 1
1 859 . 10 1 1 A 66 66 VAL C C 66 173.538 174.701 -1.163 1
1 860 . 10 1 1 A 67 67 LYS N N 67 118.514 120.586 -2.072 1
1 861 . 10 1 1 A 67 67 LYS H H 67 8.636 8.712 -0.076 1
1 862 . 10 1 1 A 67 67 LYS CA C 67 53.828 54.599 -0.771 1
1 863 . 10 1 1 A 67 67 LYS HA H 67 4.840 4.926 -0.086 1
1 864 . 10 1 1 A 67 67 LYS CB C 67 36.636 36.940 -0.304 1
1 876 . 10 1 1 A 67 67 LYS C C 67 176.029 174.443 1.586 1
1 877 . 10 1 1 A 68 68 LYS N N 68 125.817 123.168 2.649 1
1 878 . 10 1 1 A 68 68 LYS H H 68 9.246 8.795 0.451 1
1 879 . 10 1 1 A 68 68 LYS CA C 68 58.514 55.762 2.752 1
1 880 . 10 1 1 A 68 68 LYS HA H 68 4.494 4.674 -0.180 1
1 881 . 10 1 1 A 68 68 LYS CB C 68 32.893 34.208 -1.315 1
1 891 . 10 1 1 A 68 68 LYS C C 68 176.679 175.979 0.700 1
1 892 . 10 1 1 A 69 69 LEU N N 69 125.294 126.974 -1.680 1
1 893 . 10 1 1 A 69 69 LEU H H 69 8.506 8.810 -0.304 1
1 894 . 10 1 1 A 69 69 LEU CA C 69 54.873 57.244 -2.371 1
1 895 . 10 1 1 A 69 69 LEU HA H 69 4.429 3.995 0.434 1
1 896 . 10 1 1 A 69 69 LEU CB C 69 42.631 41.609 1.022 1
1 909 . 10 1 1 A 69 69 LEU C C 69 176.203 178.079 -1.876 1
1 10 . 11 1 1 A 2 2 ASP N N 2 123.392 121.408 1.984 1
1 11 . 11 1 1 A 2 2 ASP H H 2 8.830 7.851 0.979 1
1 12 . 11 1 1 A 2 2 ASP CA C 2 54.029 52.625 1.404 1
1 13 . 11 1 1 A 2 2 ASP HA H 2 4.699 4.947 -0.248 1
1 14 . 11 1 1 A 2 2 ASP CB C 2 40.198 41.023 -0.825 1
1 17 . 11 1 1 A 2 2 ASP C C 2 175.639 175.625 0.014 1
1 18 . 11 1 1 A 3 3 GLU N N 3 121.824 120.114 1.710 1
1 19 . 11 1 1 A 3 3 GLU H H 3 8.663 8.301 0.362 1
1 20 . 11 1 1 A 3 3 GLU CA C 3 56.162 55.674 0.488 1
1 21 . 11 1 1 A 3 3 GLU HA H 3 4.406 4.623 -0.217 1
1 22 . 11 1 1 A 3 3 GLU CB C 3 28.702 29.577 -0.875 1
1 28 . 11 1 1 A 3 3 GLU C C 3 176.354 175.462 0.892 1
1 29 . 11 1 1 A 4 4 THR N N 4 114.607 115.181 -0.574 1
1 30 . 11 1 1 A 4 4 THR H H 4 8.285 8.101 0.184 1
1 31 . 11 1 1 A 4 4 THR CA C 4 62.425 61.077 1.348 1
1 32 . 11 1 1 A 4 4 THR HA H 4 4.267 4.664 -0.397 1
1 33 . 11 1 1 A 4 4 THR CB C 4 69.672 70.319 -0.647 1
1 39 . 11 1 1 A 4 4 THR C C 4 175.271 175.650 -0.379 1
1 40 . 11 1 1 A 5 5 GLY N N 5 111.345 109.934 1.411 1
1 41 . 11 1 1 A 5 5 GLY H H 5 8.436 8.363 0.073 1
1 42 . 11 1 1 A 5 5 GLY CA C 5 45.297 45.868 -0.571 1
1 43 . 11 1 1 A 5 5 GLY HA2 H 5 3.942 3.896 0.046 1
1 44 . 11 1 1 A 5 5 GLY HA3 H 5 3.942 3.897 0.045 1
1 45 . 11 1 1 A 5 5 GLY C C 5 173.668 175.653 -1.985 1
1 46 . 11 1 1 A 6 6 LYS N N 6 119.783 118.977 0.806 1
1 47 . 11 1 1 A 6 6 LYS H H 6 8.017 7.747 0.270 1
1 48 . 11 1 1 A 6 6 LYS CA C 6 55.538 58.421 -2.883 1
1 49 . 11 1 1 A 6 6 LYS HA H 6 4.387 4.202 0.185 1
1 50 . 11 1 1 A 6 6 LYS CB C 6 33.257 32.732 0.525 1
1 62 . 11 1 1 A 6 6 LYS C C 6 176.029 176.731 -0.702 1
1 63 . 11 1 1 A 7 7 GLU N N 7 122.414 115.455 6.959 1
1 64 . 11 1 1 A 7 7 GLU H H 7 8.584 7.751 0.833 1
1 65 . 11 1 1 A 7 7 GLU CA C 7 55.404 55.886 -0.482 1
1 66 . 11 1 1 A 7 7 GLU HA H 7 4.495 4.615 -0.120 1
1 67 . 11 1 1 A 7 7 GLU CB C 7 30.382 30.498 -0.116 1
1 73 . 11 1 1 A 7 7 GLU C C 7 174.014 174.676 -0.662 1
1 74 . 11 1 1 A 8 8 LEU N N 8 122.989 125.739 -2.750 1
1 75 . 11 1 1 A 8 8 LEU H H 8 8.414 9.008 -0.594 1
1 76 . 11 1 1 A 8 8 LEU CA C 8 53.188 53.927 -0.739 1
1 77 . 11 1 1 A 8 8 LEU HA H 8 5.381 4.985 0.396 1
1 78 . 11 1 1 A 8 8 LEU CB C 8 45.173 43.341 1.832 1
1 90 . 11 1 1 A 8 8 LEU C C 8 177.329 176.460 0.869 1
1 91 . 11 1 1 A 9 9 VAL N N 9 111.709 118.597 -6.888 1
1 92 . 11 1 1 A 9 9 VAL H H 9 9.125 9.106 0.019 1
1 93 . 11 1 1 A 9 9 VAL CA C 9 57.854 59.444 -1.590 1
1 94 . 11 1 1 A 9 9 VAL HA H 9 5.232 5.114 0.118 1
1 95 . 11 1 1 A 9 9 VAL CB C 9 35.864 35.481 0.383 1
1 105 . 11 1 1 A 9 9 VAL C C 9 172.368 173.909 -1.541 1
1 106 . 11 1 1 A 10 10 LEU N N 10 123.520 127.127 -3.607 1
1 107 . 11 1 1 A 10 10 LEU H H 10 8.989 9.087 -0.098 1
1 108 . 11 1 1 A 10 10 LEU CA C 10 52.445 53.287 -0.842 1
1 109 . 11 1 1 A 10 10 LEU HA H 10 5.113 5.269 -0.156 1
1 110 . 11 1 1 A 10 10 LEU CB C 10 46.776 44.983 1.793 1
1 123 . 11 1 1 A 10 10 LEU C C 10 176.549 175.040 1.509 1
1 124 . 11 1 1 A 11 11 ALA N N 11 127.272 128.291 -1.019 1
1 125 . 11 1 1 A 11 11 ALA H H 11 9.163 9.036 0.127 1
1 126 . 11 1 1 A 11 11 ALA CA C 11 52.416 51.422 0.994 1
1 127 . 11 1 1 A 11 11 ALA HA H 11 4.602 4.650 -0.048 1
1 131 . 11 1 1 A 11 11 ALA CB C 11 19.274 19.828 -0.554 1
1 132 . 11 1 1 A 11 11 ALA C C 11 178.282 177.175 1.107 1
1 133 . 11 1 1 A 12 12 LEU N N 12 127.769 125.105 2.664 1
1 134 . 11 1 1 A 12 12 LEU H H 12 9.257 9.129 0.128 1
1 135 . 11 1 1 A 12 12 LEU CA C 12 55.442 55.800 -0.358 1
1 136 . 11 1 1 A 12 12 LEU HA H 12 3.898 4.268 -0.370 1
1 137 . 11 1 1 A 12 12 LEU CB C 12 43.110 42.479 0.631 1
1 150 . 11 1 1 A 12 12 LEU C C 12 174.946 176.587 -1.641 1
1 151 . 11 1 1 A 13 13 TYR N N 13 111.673 115.807 -4.134 1
1 152 . 11 1 1 A 13 13 TYR H H 13 7.129 7.962 -0.833 1
1 153 . 11 1 1 A 13 13 TYR CA C 13 54.720 56.653 -1.933 1
1 154 . 11 1 1 A 13 13 TYR HA H 13 4.633 5.028 -0.395 1
1 155 . 11 1 1 A 13 13 TYR CB C 13 43.043 41.786 1.257 1
1 166 . 11 1 1 A 13 13 TYR C C 13 173.668 175.020 -1.352 1
1 167 . 11 1 1 A 14 14 ASP N N 14 117.814 121.108 -3.294 1
1 168 . 11 1 1 A 14 14 ASP H H 14 8.347 8.792 -0.445 1
1 169 . 11 1 1 A 14 14 ASP CA C 14 54.571 53.506 1.065 1
1 170 . 11 1 1 A 14 14 ASP HA H 14 4.633 5.242 -0.609 1
1 171 . 11 1 1 A 14 14 ASP CB C 14 41.136 42.227 -1.091 1
1 174 . 11 1 1 A 14 14 ASP C C 14 176.051 175.171 0.880 1
1 175 . 11 1 1 A 15 15 TYR N N 15 120.213 123.678 -3.465 1
1 176 . 11 1 1 A 15 15 TYR H H 15 8.748 9.248 -0.500 1
1 177 . 11 1 1 A 15 15 TYR CA C 15 59.454 57.029 2.425 1
1 178 . 11 1 1 A 15 15 TYR HA H 15 4.654 5.422 -0.768 1
1 179 . 11 1 1 A 15 15 TYR CB C 15 43.400 42.681 0.719 1
1 190 . 11 1 1 A 15 15 TYR C C 15 172.758 173.864 -1.106 1
1 191 . 11 1 1 A 16 16 GLN N N 16 126.986 121.997 4.989 1
1 192 . 11 1 1 A 16 16 GLN H H 16 7.558 7.827 -0.269 1
1 193 . 11 1 1 A 16 16 GLN CA C 16 53.534 53.707 -0.173 1
1 194 . 11 1 1 A 16 16 GLN HA H 16 4.500 5.008 -0.508 1
1 195 . 11 1 1 A 16 16 GLN CB C 16 29.071 32.497 -3.426 1
1 204 . 11 1 1 A 16 16 GLN C C 16 173.863 173.972 -0.109 1
1 205 . 11 1 1 A 17 17 GLU N N 17 123.063 120.492 2.571 1
1 206 . 11 1 1 A 17 17 GLU H H 17 7.979 8.070 -0.091 1
1 207 . 11 1 1 A 17 17 GLU CA C 17 55.935 55.346 0.589 1
1 208 . 11 1 1 A 17 17 GLU HA H 17 4.182 4.981 -0.799 1
1 209 . 11 1 1 A 17 17 GLU CB C 17 28.948 31.236 -2.288 1
1 215 . 11 1 1 A 17 17 GLU C C 17 175.899 176.358 -0.459 1
1 216 . 11 1 1 A 18 18 LYS N N 18 120.853 123.945 -3.092 1
1 217 . 11 1 1 A 18 18 LYS H H 18 8.771 8.998 -0.227 1
1 218 . 11 1 1 A 18 18 LYS CA C 18 55.393 57.588 -2.195 1
1 219 . 11 1 1 A 18 18 LYS HA H 18 4.390 4.297 0.093 1
1 220 . 11 1 1 A 18 18 LYS CB C 18 33.393 33.589 -0.196 1
1 232 . 11 1 1 A 18 18 LYS C C 18 176.138 176.058 0.080 1
1 233 . 11 1 1 A 19 19 SER N N 19 115.089 112.790 2.299 1
1 234 . 11 1 1 A 19 19 SER H H 19 7.658 8.141 -0.483 1
1 235 . 11 1 1 A 19 19 SER CA C 19 56.821 56.302 0.519 1
1 236 . 11 1 1 A 19 19 SER HA H 19 4.863 4.730 0.133 1
1 237 . 11 1 1 A 19 19 SER CB C 19 64.208 64.404 -0.196 1
1 241 . 11 1 1 A 20 20 PRO CA C 20 64.803 64.320 0.483 1
1 242 . 11 1 1 A 20 20 PRO HA H 20 4.521 4.529 -0.008 1
1 243 . 11 1 1 A 20 20 PRO CB C 20 31.657 31.716 -0.059 1
1 251 . 11 1 1 A 20 20 PRO C C 20 176.657 177.677 -1.020 1
1 252 . 11 1 1 A 21 21 ARG N N 21 113.827 116.923 -3.096 1
1 253 . 11 1 1 A 21 21 ARG H H 21 7.694 8.494 -0.800 1
1 254 . 11 1 1 A 21 21 ARG CA C 21 56.119 57.301 -1.182 1
1 255 . 11 1 1 A 21 21 ARG HA H 21 4.593 4.282 0.311 1
1 256 . 11 1 1 A 21 21 ARG CB C 21 30.299 30.823 -0.524 1
1 265 . 11 1 1 A 21 21 ARG C C 21 173.386 176.860 -3.474 1
1 266 . 11 1 1 A 22 22 GLU N N 22 121.389 118.008 3.381 1
1 267 . 11 1 1 A 22 22 GLU H H 22 7.850 7.721 0.129 1
1 268 . 11 1 1 A 22 22 GLU CA C 22 54.951 55.039 -0.088 1
1 269 . 11 1 1 A 22 22 GLU HA H 22 5.487 4.936 0.551 1
1 270 . 11 1 1 A 22 22 GLU CB C 22 33.588 31.462 2.126 1
1 276 . 11 1 1 A 22 22 GLU C C 22 174.491 175.720 -1.229 1
1 277 . 11 1 1 A 23 23 VAL N N 23 113.069 118.349 -5.280 1
1 278 . 11 1 1 A 23 23 VAL H H 23 7.410 8.945 -1.535 1
1 279 . 11 1 1 A 23 23 VAL CA C 23 59.793 59.234 0.559 1
1 280 . 11 1 1 A 23 23 VAL HA H 23 4.531 4.861 -0.330 1
1 281 . 11 1 1 A 23 23 VAL CB C 23 34.667 35.386 -0.719 1
1 291 . 11 1 1 A 23 23 VAL C C 23 172.541 174.534 -1.993 1
1 292 . 11 1 1 A 24 24 THR N N 24 118.283 119.399 -1.116 1
1 293 . 11 1 1 A 24 24 THR H H 24 7.362 8.756 -1.394 1
1 294 . 11 1 1 A 24 24 THR CA C 24 61.708 62.640 -0.932 1
1 295 . 11 1 1 A 24 24 THR HA H 24 5.085 4.730 0.355 1
1 296 . 11 1 1 A 24 24 THR CB C 24 70.934 69.290 1.644 1
1 302 . 11 1 1 A 24 24 THR C C 24 174.274 174.450 -0.176 1
1 303 . 11 1 1 A 25 25 MET N N 25 121.971 124.074 -2.103 1
1 304 . 11 1 1 A 25 25 MET H H 25 9.523 9.262 0.261 1
1 305 . 11 1 1 A 25 25 MET CA C 25 54.328 53.390 0.938 1
1 306 . 11 1 1 A 25 25 MET HA H 25 4.929 5.591 -0.662 1
1 307 . 11 1 1 A 25 25 MET CB C 25 36.287 35.831 0.456 1
1 317 . 11 1 1 A 25 25 MET C C 25 173.841 174.614 -0.773 1
1 318 . 11 1 1 A 26 26 LYS N N 26 124.399 120.098 4.301 1
1 319 . 11 1 1 A 26 26 LYS H H 26 8.820 8.779 0.041 1
1 320 . 11 1 1 A 26 26 LYS CA C 26 53.699 54.370 -0.671 1
1 321 . 11 1 1 A 26 26 LYS HA H 26 4.879 4.939 -0.060 1
1 322 . 11 1 1 A 26 26 LYS CB C 26 34.097 36.494 -2.397 1
1 332 . 11 1 1 A 26 26 LYS C C 26 174.968 176.444 -1.476 1
1 333 . 11 1 1 A 27 27 LYS N N 27 122.619 121.594 1.025 1
1 334 . 11 1 1 A 27 27 LYS H H 27 9.013 8.736 0.277 1
1 335 . 11 1 1 A 27 27 LYS CA C 27 58.078 59.030 -0.952 1
1 336 . 11 1 1 A 27 27 LYS HA H 27 4.837 3.989 0.848 1
1 337 . 11 1 1 A 27 27 LYS CB C 27 32.269 32.125 0.144 1
1 349 . 11 1 1 A 27 27 LYS C C 27 177.307 177.381 -0.074 1
1 350 . 11 1 1 A 28 28 GLY N N 28 115.785 112.557 3.228 1
1 351 . 11 1 1 A 28 28 GLY H H 28 8.902 9.158 -0.256 1
1 352 . 11 1 1 A 28 28 GLY CA C 28 44.564 44.999 -0.435 1
1 353 . 11 1 1 A 28 28 GLY HA2 H 28 3.538 4.009 -0.471 1
1 354 . 11 1 1 A 28 28 GLY HA3 H 28 4.481 4.012 0.469 1
1 355 . 11 1 1 A 28 28 GLY C C 28 174.014 173.915 0.099 1
1 356 . 11 1 1 A 29 29 ASP N N 29 122.243 121.675 0.568 1
1 357 . 11 1 1 A 29 29 ASP H H 29 8.511 8.401 0.110 1
1 358 . 11 1 1 A 29 29 ASP CA C 29 55.353 55.257 0.096 1
1 359 . 11 1 1 A 29 29 ASP HA H 29 4.523 4.653 -0.130 1
1 360 . 11 1 1 A 29 29 ASP CB C 29 41.146 41.742 -0.596 1
1 363 . 11 1 1 A 29 29 ASP C C 29 174.274 174.767 -0.493 1
1 364 . 11 1 1 A 30 30 ILE N N 30 120.587 123.030 -2.443 1
1 365 . 11 1 1 A 30 30 ILE H H 30 8.227 8.614 -0.387 1
1 366 . 11 1 1 A 30 30 ILE CA C 30 60.366 60.228 0.138 1
1 367 . 11 1 1 A 30 30 ILE HA H 30 5.036 5.312 -0.276 1
1 368 . 11 1 1 A 30 30 ILE CB C 30 38.210 41.019 -2.809 1
1 381 . 11 1 1 A 30 30 ILE C C 30 176.246 174.635 1.611 1
1 382 . 11 1 1 A 31 31 LEU N N 31 128.265 126.891 1.374 1
1 383 . 11 1 1 A 31 31 LEU H H 31 9.353 9.001 0.352 1
1 384 . 11 1 1 A 31 31 LEU CA C 31 53.414 53.268 0.146 1
1 385 . 11 1 1 A 31 31 LEU HA H 31 5.010 5.008 0.002 1
1 386 . 11 1 1 A 31 31 LEU CB C 31 43.893 45.377 -1.484 1
1 397 . 11 1 1 A 31 31 LEU C C 31 175.596 175.580 0.016 1
1 398 . 11 1 1 A 32 32 THR N N 32 117.027 117.742 -0.715 1
1 399 . 11 1 1 A 32 32 THR H H 32 8.146 8.573 -0.427 1
1 400 . 11 1 1 A 32 32 THR CA C 32 63.046 62.245 0.801 1
1 401 . 11 1 1 A 32 32 THR HA H 32 4.629 4.741 -0.112 1
1 402 . 11 1 1 A 32 32 THR CB C 32 69.576 69.213 0.363 1
1 408 . 11 1 1 A 32 32 THR C C 32 173.559 174.861 -1.302 1
1 409 . 11 1 1 A 33 33 LEU N N 33 129.212 128.693 0.519 1
1 410 . 11 1 1 A 33 33 LEU H H 33 9.070 8.432 0.638 1
1 411 . 11 1 1 A 33 33 LEU CA C 33 54.894 56.220 -1.326 1
1 412 . 11 1 1 A 33 33 LEU HA H 33 4.351 4.318 0.033 1
1 413 . 11 1 1 A 33 33 LEU CB C 33 43.191 41.969 1.222 1
1 426 . 11 1 1 A 33 33 LEU C C 33 174.513 176.546 -2.033 1
1 427 . 11 1 1 A 34 34 LEU N N 34 125.818 130.021 -4.203 1
1 428 . 11 1 1 A 34 34 LEU H H 34 9.060 9.126 -0.066 1
1 429 . 11 1 1 A 34 34 LEU CA C 34 54.885 55.647 -0.762 1
1 430 . 11 1 1 A 34 34 LEU HA H 34 4.523 4.444 0.079 1
1 431 . 11 1 1 A 34 34 LEU CB C 34 42.990 43.239 -0.249 1
1 443 . 11 1 1 A 34 34 LEU C C 34 177.502 175.865 1.637 1
1 444 . 11 1 1 A 35 35 ASN N N 35 114.008 117.236 -3.228 1
1 445 . 11 1 1 A 35 35 ASN H H 35 7.617 8.172 -0.555 1
1 446 . 11 1 1 A 35 35 ASN CA C 35 54.502 53.037 1.465 1
1 447 . 11 1 1 A 35 35 ASN HA H 35 4.736 4.994 -0.258 1
1 448 . 11 1 1 A 35 35 ASN CB C 35 40.933 40.566 0.367 1
1 454 . 11 1 1 A 35 35 ASN C C 35 174.318 174.199 0.119 1
1 455 . 11 1 1 A 36 36 SER N N 36 123.608 118.127 5.481 1
1 456 . 11 1 1 A 36 36 SER H H 36 9.172 8.389 0.783 1
1 457 . 11 1 1 A 36 36 SER CA C 36 56.915 56.771 0.144 1
1 458 . 11 1 1 A 36 36 SER HA H 36 3.940 4.465 -0.525 1
1 459 . 11 1 1 A 36 36 SER CB C 36 62.042 62.539 -0.497 1
1 462 . 11 1 1 A 36 36 SER C C 36 173.364 175.310 -1.946 1
1 463 . 11 1 1 A 37 37 THR N N 37 115.130 115.767 -0.637 1
1 464 . 11 1 1 A 37 37 THR H H 37 8.184 7.635 0.549 1
1 465 . 11 1 1 A 37 37 THR CA C 37 65.381 65.340 0.041 1
1 466 . 11 1 1 A 37 37 THR HA H 37 3.980 3.952 0.028 1
1 467 . 11 1 1 A 37 37 THR CB C 37 69.489 69.283 0.206 1
1 473 . 11 1 1 A 37 37 THR C C 37 175.249 174.886 0.363 1
1 474 . 11 1 1 A 38 38 ASN N N 38 122.469 118.863 3.606 1
1 475 . 11 1 1 A 38 38 ASN H H 38 8.681 7.962 0.719 1
1 476 . 11 1 1 A 38 38 ASN CA C 38 53.337 52.434 0.903 1
1 477 . 11 1 1 A 38 38 ASN HA H 38 4.867 5.013 -0.146 1
1 478 . 11 1 1 A 38 38 ASN CB C 38 40.376 40.523 -0.147 1
1 484 . 11 1 1 A 38 38 ASN C C 38 174.599 175.036 -0.437 1
1 485 . 11 1 1 A 39 39 LYS N N 39 120.915 122.038 -1.123 1
1 486 . 11 1 1 A 39 39 LYS H H 39 8.516 8.906 -0.390 1
1 487 . 11 1 1 A 39 39 LYS CA C 39 58.333 56.495 1.838 1
1 488 . 11 1 1 A 39 39 LYS HA H 39 4.247 4.771 -0.524 1
1 489 . 11 1 1 A 39 39 LYS CB C 39 32.371 33.637 -1.266 1
1 499 . 11 1 1 A 39 39 LYS C C 39 176.268 177.240 -0.972 1
1 500 . 11 1 1 A 40 40 ASP N N 40 114.512 117.655 -3.143 1
1 501 . 11 1 1 A 40 40 ASP H H 40 8.210 7.874 0.336 1
1 502 . 11 1 1 A 40 40 ASP CA C 40 55.083 55.627 -0.544 1
1 503 . 11 1 1 A 40 40 ASP HA H 40 4.544 4.362 0.182 1
1 504 . 11 1 1 A 40 40 ASP CB C 40 43.014 42.166 0.848 1
1 507 . 11 1 1 A 40 40 ASP C C 40 176.852 175.581 1.271 1
1 508 . 11 1 1 A 41 41 TRP N N 41 122.703 116.298 6.405 1
1 509 . 11 1 1 A 41 41 TRP H H 41 8.212 8.042 0.170 1
1 510 . 11 1 1 A 41 41 TRP CA C 41 56.005 55.703 0.302 1
1 511 . 11 1 1 A 41 41 TRP HA H 41 5.078 5.204 -0.126 1
1 512 . 11 1 1 A 41 41 TRP CB C 41 32.019 30.782 1.237 1
1 527 . 11 1 1 A 41 41 TRP C C 41 174.166 175.684 -1.518 1
1 528 . 11 1 1 A 42 42 TRP N N 42 124.905 124.271 0.634 1
1 529 . 11 1 1 A 42 42 TRP H H 42 9.380 9.543 -0.163 1
1 530 . 11 1 1 A 42 42 TRP CA C 42 53.861 55.547 -1.686 1
1 531 . 11 1 1 A 42 42 TRP HA H 42 5.523 5.182 0.341 1
1 532 . 11 1 1 A 42 42 TRP CB C 42 31.543 32.036 -0.493 1
1 547 . 11 1 1 A 42 42 TRP C C 42 174.144 175.929 -1.785 1
1 548 . 11 1 1 A 43 43 LYS N N 43 124.120 123.783 0.337 1
1 549 . 11 1 1 A 43 43 LYS H H 43 8.896 9.388 -0.492 1
1 550 . 11 1 1 A 43 43 LYS CA C 43 55.231 55.696 -0.465 1
1 551 . 11 1 1 A 43 43 LYS HA H 43 4.396 4.557 -0.161 1
1 552 . 11 1 1 A 43 43 LYS CB C 43 34.366 33.095 1.271 1
1 564 . 11 1 1 A 43 43 LYS C C 43 175.423 175.973 -0.550 1
1 565 . 11 1 1 A 44 44 VAL N N 44 121.984 117.949 4.035 1
1 566 . 11 1 1 A 44 44 VAL H H 44 9.430 8.920 0.510 1
1 567 . 11 1 1 A 44 44 VAL CA C 44 58.751 59.069 -0.318 1
1 568 . 11 1 1 A 44 44 VAL HA H 44 5.375 5.047 0.328 1
1 569 . 11 1 1 A 44 44 VAL CB C 44 36.378 35.570 0.808 1
1 579 . 11 1 1 A 44 44 VAL C C 44 173.234 173.545 -0.311 1
1 580 . 11 1 1 A 45 45 GLU N N 45 118.425 121.203 -2.778 1
1 581 . 11 1 1 A 45 45 GLU H H 45 8.757 8.779 -0.022 1
1 582 . 11 1 1 A 45 45 GLU CA C 45 54.139 54.823 -0.684 1
1 583 . 11 1 1 A 45 45 GLU HA H 45 5.423 5.488 -0.065 1
1 584 . 11 1 1 A 45 45 GLU CB C 45 32.891 33.682 -0.791 1
1 590 . 11 1 1 A 45 45 GLU C C 45 174.621 174.976 -0.355 1
1 591 . 11 1 1 A 46 46 VAL N N 46 123.694 120.099 3.595 1
1 592 . 11 1 1 A 46 46 VAL H H 46 9.089 8.978 0.111 1
1 593 . 11 1 1 A 46 46 VAL CA C 46 59.627 58.950 0.677 1
1 594 . 11 1 1 A 46 46 VAL HA H 46 4.669 4.906 -0.237 1
1 595 . 11 1 1 A 46 46 VAL CB C 46 35.290 35.269 0.021 1
1 604 . 11 1 1 A 46 46 VAL C C 46 173.234 173.611 -0.377 1
1 605 . 11 1 1 A 47 47 LYS N N 47 124.893 122.747 2.146 1
1 606 . 11 1 1 A 47 47 LYS H H 47 8.455 8.875 -0.420 1
1 607 . 11 1 1 A 47 47 LYS CA C 47 55.404 54.848 0.556 1
1 608 . 11 1 1 A 47 47 LYS HA H 47 5.022 5.395 -0.373 1
1 609 . 11 1 1 A 47 47 LYS CB C 47 33.959 34.660 -0.701 1
1 619 . 11 1 1 A 47 47 LYS C C 47 175.899 175.101 0.798 1
1 620 . 11 1 1 A 48 48 ILE N N 48 124.447 126.456 -2.009 1
1 621 . 11 1 1 A 48 48 ILE H H 48 8.989 9.198 -0.209 1
1 622 . 11 1 1 A 48 48 ILE CA C 48 59.646 60.123 -0.477 1
1 623 . 11 1 1 A 48 48 ILE HA H 48 4.529 5.012 -0.483 1
1 624 . 11 1 1 A 48 48 ILE CB C 48 41.170 41.176 -0.006 1
1 637 . 11 1 1 A 48 48 ILE C C 48 174.144 174.985 -0.841 1
1 638 . 11 1 1 A 49 49 THR N N 49 121.012 123.493 -2.481 1
1 639 . 11 1 1 A 49 49 THR H H 49 8.570 8.941 -0.371 1
1 640 . 11 1 1 A 49 49 THR CA C 49 61.301 62.215 -0.914 1
1 641 . 11 1 1 A 49 49 THR HA H 49 5.272 4.935 0.337 1
1 642 . 11 1 1 A 49 49 THR CB C 49 69.853 69.174 0.679 1
1 648 . 11 1 1 A 49 49 THR C C 49 174.318 174.134 0.184 1
1 649 . 11 1 1 A 50 50 VAL N N 50 126.754 126.886 -0.132 1
1 650 . 11 1 1 A 50 50 VAL H H 50 9.104 9.002 0.102 1
1 651 . 11 1 1 A 50 50 VAL CA C 50 61.070 61.343 -0.273 1
1 652 . 11 1 1 A 50 50 VAL HA H 50 4.292 4.451 -0.159 1
1 653 . 11 1 1 A 50 50 VAL CB C 50 34.452 34.548 -0.096 1
1 663 . 11 1 1 A 50 50 VAL C C 50 175.899 176.228 -0.329 1
1 664 . 11 1 1 A 51 51 ASN N N 51 127.590 127.942 -0.352 1
1 665 . 11 1 1 A 51 51 ASN H H 51 9.619 9.540 0.079 1
1 666 . 11 1 1 A 51 51 ASN CA C 51 54.177 54.723 -0.546 1
1 667 . 11 1 1 A 51 51 ASN HA H 51 4.390 4.485 -0.095 1
1 668 . 11 1 1 A 51 51 ASN CB C 51 37.413 37.272 0.141 1
1 671 . 11 1 1 A 51 51 ASN C C 51 175.249 175.627 -0.378 1
1 672 . 11 1 1 A 52 52 GLY N N 52 102.845 104.476 -1.631 1
1 673 . 11 1 1 A 52 52 GLY H H 52 8.535 8.698 -0.163 1
1 674 . 11 1 1 A 52 52 GLY CA C 52 45.443 45.583 -0.140 1
1 675 . 11 1 1 A 52 52 GLY HA2 H 52 3.555 3.887 -0.332 1
1 676 . 11 1 1 A 52 52 GLY HA3 H 52 4.120 3.887 0.233 1
1 677 . 11 1 1 A 52 52 GLY C C 52 176.398 173.828 2.570 1
1 678 . 11 1 1 A 53 53 LYS N N 53 121.989 120.587 1.402 1
1 679 . 11 1 1 A 53 53 LYS H H 53 7.849 8.008 -0.159 1
1 680 . 11 1 1 A 53 53 LYS CA C 53 54.807 54.719 0.088 1
1 681 . 11 1 1 A 53 53 LYS HA H 53 4.641 4.447 0.194 1
1 682 . 11 1 1 A 53 53 LYS CB C 53 34.440 34.363 0.077 1
1 694 . 11 1 1 A 53 53 LYS C C 53 174.513 175.715 -1.202 1
1 695 . 11 1 1 A 54 54 THR N N 54 118.860 117.381 1.479 1
1 696 . 11 1 1 A 54 54 THR H H 54 8.445 8.585 -0.140 1
1 697 . 11 1 1 A 54 54 THR CA C 54 62.074 61.648 0.426 1
1 698 . 11 1 1 A 54 54 THR HA H 54 5.167 4.587 0.580 1
1 699 . 11 1 1 A 54 54 THR CB C 54 70.071 69.662 0.409 1
1 705 . 11 1 1 A 54 54 THR C C 54 173.689 173.694 -0.005 1
1 706 . 11 1 1 A 55 55 TYR N N 55 125.966 123.147 2.819 1
1 707 . 11 1 1 A 55 55 TYR H H 55 9.319 9.574 -0.255 1
1 708 . 11 1 1 A 55 55 TYR CA C 55 56.507 56.145 0.362 1
1 709 . 11 1 1 A 55 55 TYR HA H 55 4.767 5.099 -0.332 1
1 710 . 11 1 1 A 55 55 TYR CB C 55 40.591 41.813 -1.222 1
1 721 . 11 1 1 A 55 55 TYR C C 55 173.538 175.408 -1.870 1
1 722 . 11 1 1 A 56 56 GLU N N 56 119.827 121.222 -1.395 1
1 723 . 11 1 1 A 56 56 GLU H H 56 8.568 8.897 -0.329 1
1 724 . 11 1 1 A 56 56 GLU CA C 56 54.503 55.095 -0.592 1
1 725 . 11 1 1 A 56 56 GLU HA H 56 5.247 5.523 -0.276 1
1 726 . 11 1 1 A 56 56 GLU CB C 56 30.297 32.912 -2.615 1
1 732 . 11 1 1 A 56 56 GLU C C 56 175.726 175.729 -0.003 1
1 733 . 11 1 1 A 57 57 ARG N N 57 123.399 120.300 3.099 1
1 734 . 11 1 1 A 57 57 ARG H H 57 8.971 8.590 0.381 1
1 735 . 11 1 1 A 57 57 ARG CA C 57 54.944 54.746 0.198 1
1 736 . 11 1 1 A 57 57 ARG HA H 57 4.710 5.080 -0.370 1
1 737 . 11 1 1 A 57 57 ARG CB C 57 33.362 34.072 -0.710 1
1 746 . 11 1 1 A 57 57 ARG C C 57 174.166 174.388 -0.222 1
1 747 . 11 1 1 A 58 58 GLN N N 58 120.188 120.870 -0.682 1
1 748 . 11 1 1 A 58 58 GLN H H 58 8.634 8.538 0.096 1
1 749 . 11 1 1 A 58 58 GLN CA C 58 53.251 54.904 -1.653 1
1 750 . 11 1 1 A 58 58 GLN HA H 58 5.602 5.110 0.492 1
1 751 . 11 1 1 A 58 58 GLN CB C 58 31.229 30.397 0.832 1
1 760 . 11 1 1 A 58 58 GLN C C 58 175.726 175.230 0.496 1
1 761 . 11 1 1 A 59 59 GLY N N 59 107.196 108.948 -1.752 1
1 762 . 11 1 1 A 59 59 GLY H H 59 8.644 9.031 -0.387 1
1 763 . 11 1 1 A 59 59 GLY CA C 59 45.583 44.409 1.174 1
1 764 . 11 1 1 A 59 59 GLY HA2 H 59 3.947 4.318 -0.371 1
1 765 . 11 1 1 A 59 59 GLY HA3 H 59 3.947 4.328 -0.381 1
1 766 . 11 1 1 A 59 59 GLY C C 59 170.223 171.889 -1.666 1
1 767 . 11 1 1 A 60 60 PHE N N 60 119.079 123.450 -4.371 1
1 768 . 11 1 1 A 60 60 PHE H H 60 9.178 8.691 0.487 1
1 769 . 11 1 1 A 60 60 PHE CA C 60 58.544 57.928 0.616 1
1 770 . 11 1 1 A 60 60 PHE HA H 60 5.668 5.087 0.581 1
1 771 . 11 1 1 A 60 60 PHE CB C 60 42.484 40.408 2.076 1
1 784 . 11 1 1 A 60 60 PHE C C 60 175.423 175.926 -0.503 1
1 785 . 11 1 1 A 61 61 VAL N N 61 111.060 117.526 -6.466 1
1 786 . 11 1 1 A 61 61 VAL H H 61 9.089 8.910 0.179 1
1 787 . 11 1 1 A 61 61 VAL CA C 61 58.189 58.146 0.043 1
1 788 . 11 1 1 A 61 61 VAL HA H 61 4.833 4.776 0.057 1
1 789 . 11 1 1 A 61 61 VAL CB C 61 33.744 34.643 -0.899 1
1 800 . 11 1 1 A 62 62 PRO CA C 62 61.852 62.052 -0.200 1
1 801 . 11 1 1 A 62 62 PRO HA H 62 3.572 4.556 -0.984 1
1 802 . 11 1 1 A 62 62 PRO CB C 62 29.704 30.875 -1.171 1
1 810 . 11 1 1 A 62 62 PRO C C 62 177.719 177.491 0.228 1
1 811 . 11 1 1 A 63 63 ALA N N 63 129.142 128.720 0.422 1
1 812 . 11 1 1 A 63 63 ALA H H 63 7.477 8.368 -0.891 1
1 813 . 11 1 1 A 63 63 ALA CA C 63 54.472 54.313 0.159 1
1 814 . 11 1 1 A 63 63 ALA HA H 63 2.655 3.623 -0.968 1
1 818 . 11 1 1 A 63 63 ALA CB C 63 15.740 16.701 -0.961 1
1 819 . 11 1 1 A 63 63 ALA C C 63 178.434 179.418 -0.984 1
1 820 . 11 1 1 A 64 64 ALA N N 64 113.410 119.146 -5.736 1
1 821 . 11 1 1 A 64 64 ALA H H 64 7.857 8.054 -0.197 1
1 822 . 11 1 1 A 64 64 ALA CA C 64 52.991 54.206 -1.215 1
1 823 . 11 1 1 A 64 64 ALA HA H 64 4.006 4.027 -0.021 1
1 827 . 11 1 1 A 64 64 ALA CB C 64 17.605 18.287 -0.682 1
1 828 . 11 1 1 A 64 64 ALA C C 64 178.109 178.232 -0.123 1
1 829 . 11 1 1 A 65 65 TYR N N 65 116.059 116.845 -0.786 1
1 830 . 11 1 1 A 65 65 TYR H H 65 7.705 8.002 -0.297 1
1 831 . 11 1 1 A 65 65 TYR CA C 65 56.477 58.336 -1.859 1
1 832 . 11 1 1 A 65 65 TYR HA H 65 4.758 4.743 0.015 1
1 833 . 11 1 1 A 65 65 TYR CB C 65 37.765 39.266 -1.501 1
1 844 . 11 1 1 A 65 65 TYR C C 65 174.361 175.651 -1.290 1
1 845 . 11 1 1 A 66 66 VAL N N 66 111.003 115.091 -4.088 1
1 846 . 11 1 1 A 66 66 VAL H H 66 7.422 7.543 -0.121 1
1 847 . 11 1 1 A 66 66 VAL CA C 66 58.268 59.053 -0.785 1
1 848 . 11 1 1 A 66 66 VAL HA H 66 5.547 4.966 0.581 1
1 849 . 11 1 1 A 66 66 VAL CB C 66 35.809 36.591 -0.782 1
1 859 . 11 1 1 A 66 66 VAL C C 66 173.538 174.431 -0.893 1
1 860 . 11 1 1 A 67 67 LYS N N 67 118.514 120.339 -1.825 1
1 861 . 11 1 1 A 67 67 LYS H H 67 8.636 8.764 -0.128 1
1 862 . 11 1 1 A 67 67 LYS CA C 67 53.828 54.836 -1.008 1
1 863 . 11 1 1 A 67 67 LYS HA H 67 4.840 5.010 -0.170 1
1 864 . 11 1 1 A 67 67 LYS CB C 67 36.636 36.989 -0.353 1
1 876 . 11 1 1 A 67 67 LYS C C 67 176.029 174.361 1.668 1
1 877 . 11 1 1 A 68 68 LYS N N 68 125.817 123.324 2.493 1
1 878 . 11 1 1 A 68 68 LYS H H 68 9.246 8.897 0.349 1
1 879 . 11 1 1 A 68 68 LYS CA C 68 58.514 54.830 3.684 1
1 880 . 11 1 1 A 68 68 LYS HA H 68 4.494 4.962 -0.468 1
1 881 . 11 1 1 A 68 68 LYS CB C 68 32.893 34.965 -2.072 1
1 891 . 11 1 1 A 68 68 LYS C C 68 176.679 176.470 0.209 1
1 892 . 11 1 1 A 69 69 LEU N N 69 125.294 126.494 -1.200 1
1 893 . 11 1 1 A 69 69 LEU H H 69 8.506 8.799 -0.293 1
1 894 . 11 1 1 A 69 69 LEU CA C 69 54.873 57.682 -2.809 1
1 895 . 11 1 1 A 69 69 LEU HA H 69 4.429 4.102 0.327 1
1 896 . 11 1 1 A 69 69 LEU CB C 69 42.631 41.496 1.135 1
1 909 . 11 1 1 A 69 69 LEU C C 69 176.203 178.540 -2.337 1
1 10 . 12 1 1 A 2 2 ASP N N 2 123.392 118.216 5.176 1
1 11 . 12 1 1 A 2 2 ASP H H 2 8.830 8.465 0.365 1
1 12 . 12 1 1 A 2 2 ASP CA C 2 54.029 53.079 0.950 1
1 13 . 12 1 1 A 2 2 ASP HA H 2 4.699 4.932 -0.233 1
1 14 . 12 1 1 A 2 2 ASP CB C 2 40.198 40.235 -0.037 1
1 17 . 12 1 1 A 2 2 ASP C C 2 175.639 176.778 -1.139 1
1 18 . 12 1 1 A 3 3 GLU N N 3 121.824 121.277 0.547 1
1 19 . 12 1 1 A 3 3 GLU H H 3 8.663 7.949 0.714 1
1 20 . 12 1 1 A 3 3 GLU CA C 3 56.162 57.925 -1.763 1
1 21 . 12 1 1 A 3 3 GLU HA H 3 4.406 4.301 0.105 1
1 22 . 12 1 1 A 3 3 GLU CB C 3 28.702 30.826 -2.124 1
1 28 . 12 1 1 A 3 3 GLU C C 3 176.354 176.867 -0.513 1
1 29 . 12 1 1 A 4 4 THR N N 4 114.607 113.437 1.170 1
1 30 . 12 1 1 A 4 4 THR H H 4 8.285 8.046 0.239 1
1 31 . 12 1 1 A 4 4 THR CA C 4 62.425 63.239 -0.814 1
1 32 . 12 1 1 A 4 4 THR HA H 4 4.267 4.021 0.246 1
1 33 . 12 1 1 A 4 4 THR CB C 4 69.672 66.610 3.062 1
1 39 . 12 1 1 A 4 4 THR C C 4 175.271 175.186 0.085 1
1 40 . 12 1 1 A 5 5 GLY N N 5 111.345 109.974 1.371 1
1 41 . 12 1 1 A 5 5 GLY H H 5 8.436 8.175 0.261 1
1 42 . 12 1 1 A 5 5 GLY CA C 5 45.297 45.447 -0.150 1
1 43 . 12 1 1 A 5 5 GLY HA2 H 5 3.942 4.049 -0.107 1
1 44 . 12 1 1 A 5 5 GLY HA3 H 5 3.942 4.050 -0.108 1
1 45 . 12 1 1 A 5 5 GLY C C 5 173.668 174.940 -1.272 1
1 46 . 12 1 1 A 6 6 LYS N N 6 119.783 119.035 0.748 1
1 47 . 12 1 1 A 6 6 LYS H H 6 8.017 7.594 0.423 1
1 48 . 12 1 1 A 6 6 LYS CA C 6 55.538 57.787 -2.249 1
1 49 . 12 1 1 A 6 6 LYS HA H 6 4.387 4.322 0.065 1
1 50 . 12 1 1 A 6 6 LYS CB C 6 33.257 33.410 -0.153 1
1 62 . 12 1 1 A 6 6 LYS C C 6 176.029 176.659 -0.630 1
1 63 . 12 1 1 A 7 7 GLU N N 7 122.414 116.878 5.536 1
1 64 . 12 1 1 A 7 7 GLU H H 7 8.584 7.932 0.652 1
1 65 . 12 1 1 A 7 7 GLU CA C 7 55.404 55.372 0.032 1
1 66 . 12 1 1 A 7 7 GLU HA H 7 4.495 4.555 -0.060 1
1 67 . 12 1 1 A 7 7 GLU CB C 7 30.382 30.474 -0.092 1
1 73 . 12 1 1 A 7 7 GLU C C 7 174.014 174.990 -0.976 1
1 74 . 12 1 1 A 8 8 LEU N N 8 122.989 127.467 -4.478 1
1 75 . 12 1 1 A 8 8 LEU H H 8 8.414 8.792 -0.378 1
1 76 . 12 1 1 A 8 8 LEU CA C 8 53.188 54.552 -1.364 1
1 77 . 12 1 1 A 8 8 LEU HA H 8 5.381 4.923 0.458 1
1 78 . 12 1 1 A 8 8 LEU CB C 8 45.173 44.162 1.011 1
1 90 . 12 1 1 A 8 8 LEU C C 8 177.329 175.647 1.682 1
1 91 . 12 1 1 A 9 9 VAL N N 9 111.709 118.685 -6.976 1
1 92 . 12 1 1 A 9 9 VAL H H 9 9.125 9.008 0.117 1
1 93 . 12 1 1 A 9 9 VAL CA C 9 57.854 59.255 -1.401 1
1 94 . 12 1 1 A 9 9 VAL HA H 9 5.232 4.980 0.252 1
1 95 . 12 1 1 A 9 9 VAL CB C 9 35.864 36.043 -0.179 1
1 105 . 12 1 1 A 9 9 VAL C C 9 172.368 173.815 -1.447 1
1 106 . 12 1 1 A 10 10 LEU N N 10 123.520 126.488 -2.968 1
1 107 . 12 1 1 A 10 10 LEU H H 10 8.989 9.071 -0.082 1
1 108 . 12 1 1 A 10 10 LEU CA C 10 52.445 53.170 -0.725 1
1 109 . 12 1 1 A 10 10 LEU HA H 10 5.113 5.499 -0.386 1
1 110 . 12 1 1 A 10 10 LEU CB C 10 46.776 45.422 1.354 1
1 123 . 12 1 1 A 10 10 LEU C C 10 176.549 175.624 0.925 1
1 124 . 12 1 1 A 11 11 ALA N N 11 127.272 128.145 -0.873 1
1 125 . 12 1 1 A 11 11 ALA H H 11 9.163 8.895 0.268 1
1 126 . 12 1 1 A 11 11 ALA CA C 11 52.416 52.019 0.397 1
1 127 . 12 1 1 A 11 11 ALA HA H 11 4.602 4.504 0.098 1
1 131 . 12 1 1 A 11 11 ALA CB C 11 19.274 18.991 0.283 1
1 132 . 12 1 1 A 11 11 ALA C C 11 178.282 176.976 1.306 1
1 133 . 12 1 1 A 12 12 LEU N N 12 127.769 124.787 2.982 1
1 134 . 12 1 1 A 12 12 LEU H H 12 9.257 9.387 -0.130 1
1 135 . 12 1 1 A 12 12 LEU CA C 12 55.442 55.944 -0.502 1
1 136 . 12 1 1 A 12 12 LEU HA H 12 3.898 4.310 -0.412 1
1 137 . 12 1 1 A 12 12 LEU CB C 12 43.110 42.626 0.484 1
1 150 . 12 1 1 A 12 12 LEU C C 12 174.946 176.474 -1.528 1
1 151 . 12 1 1 A 13 13 TYR N N 13 111.673 115.528 -3.855 1
1 152 . 12 1 1 A 13 13 TYR H H 13 7.129 8.088 -0.959 1
1 153 . 12 1 1 A 13 13 TYR CA C 13 54.720 56.724 -2.004 1
1 154 . 12 1 1 A 13 13 TYR HA H 13 4.633 4.947 -0.314 1
1 155 . 12 1 1 A 13 13 TYR CB C 13 43.043 41.869 1.174 1
1 166 . 12 1 1 A 13 13 TYR C C 13 173.668 174.797 -1.129 1
1 167 . 12 1 1 A 14 14 ASP N N 14 117.814 119.597 -1.783 1
1 168 . 12 1 1 A 14 14 ASP H H 14 8.347 8.921 -0.574 1
1 169 . 12 1 1 A 14 14 ASP CA C 14 54.571 52.932 1.639 1
1 170 . 12 1 1 A 14 14 ASP HA H 14 4.633 5.659 -1.026 1
1 171 . 12 1 1 A 14 14 ASP CB C 14 41.136 43.406 -2.270 1
1 174 . 12 1 1 A 14 14 ASP C C 14 176.051 174.620 1.431 1
1 175 . 12 1 1 A 15 15 TYR N N 15 120.213 123.305 -3.092 1
1 176 . 12 1 1 A 15 15 TYR H H 15 8.748 9.055 -0.307 1
1 177 . 12 1 1 A 15 15 TYR CA C 15 59.454 57.236 2.218 1
1 178 . 12 1 1 A 15 15 TYR HA H 15 4.654 5.398 -0.744 1
1 179 . 12 1 1 A 15 15 TYR CB C 15 43.400 42.420 0.980 1
1 190 . 12 1 1 A 15 15 TYR C C 15 172.758 173.918 -1.160 1
1 191 . 12 1 1 A 16 16 GLN N N 16 126.986 121.665 5.321 1
1 192 . 12 1 1 A 16 16 GLN H H 16 7.558 7.701 -0.143 1
1 193 . 12 1 1 A 16 16 GLN CA C 16 53.534 53.467 0.067 1
1 194 . 12 1 1 A 16 16 GLN HA H 16 4.500 5.006 -0.506 1
1 195 . 12 1 1 A 16 16 GLN CB C 16 29.071 32.504 -3.433 1
1 204 . 12 1 1 A 16 16 GLN C C 16 173.863 174.032 -0.169 1
1 205 . 12 1 1 A 17 17 GLU N N 17 123.063 120.522 2.541 1
1 206 . 12 1 1 A 17 17 GLU H H 17 7.979 8.585 -0.606 1
1 207 . 12 1 1 A 17 17 GLU CA C 17 55.935 55.451 0.484 1
1 208 . 12 1 1 A 17 17 GLU HA H 17 4.182 4.931 -0.749 1
1 209 . 12 1 1 A 17 17 GLU CB C 17 28.948 31.546 -2.598 1
1 215 . 12 1 1 A 17 17 GLU C C 17 175.899 176.372 -0.473 1
1 216 . 12 1 1 A 18 18 LYS N N 18 120.853 122.297 -1.444 1
1 217 . 12 1 1 A 18 18 LYS H H 18 8.771 8.844 -0.073 1
1 218 . 12 1 1 A 18 18 LYS CA C 18 55.393 57.051 -1.658 1
1 219 . 12 1 1 A 18 18 LYS HA H 18 4.390 4.508 -0.118 1
1 220 . 12 1 1 A 18 18 LYS CB C 18 33.393 34.300 -0.907 1
1 232 . 12 1 1 A 18 18 LYS C C 18 176.138 176.398 -0.260 1
1 233 . 12 1 1 A 19 19 SER N N 19 115.089 114.854 0.235 1
1 234 . 12 1 1 A 19 19 SER H H 19 7.658 8.098 -0.440 1
1 235 . 12 1 1 A 19 19 SER CA C 19 56.821 56.585 0.236 1
1 236 . 12 1 1 A 19 19 SER HA H 19 4.863 4.657 0.206 1
1 237 . 12 1 1 A 19 19 SER CB C 19 64.208 64.381 -0.173 1
1 241 . 12 1 1 A 20 20 PRO CA C 20 64.803 64.345 0.458 1
1 242 . 12 1 1 A 20 20 PRO HA H 20 4.521 4.525 -0.004 1
1 243 . 12 1 1 A 20 20 PRO CB C 20 31.657 31.711 -0.054 1
1 251 . 12 1 1 A 20 20 PRO C C 20 176.657 176.955 -0.298 1
1 252 . 12 1 1 A 21 21 ARG N N 21 113.827 115.897 -2.070 1
1 253 . 12 1 1 A 21 21 ARG H H 21 7.694 8.323 -0.629 1
1 254 . 12 1 1 A 21 21 ARG CA C 21 56.119 57.817 -1.698 1
1 255 . 12 1 1 A 21 21 ARG HA H 21 4.593 4.325 0.268 1
1 256 . 12 1 1 A 21 21 ARG CB C 21 30.299 30.742 -0.443 1
1 265 . 12 1 1 A 21 21 ARG C C 21 173.386 176.975 -3.589 1
1 266 . 12 1 1 A 22 22 GLU N N 22 121.389 120.618 0.771 1
1 267 . 12 1 1 A 22 22 GLU H H 22 7.850 8.080 -0.230 1
1 268 . 12 1 1 A 22 22 GLU CA C 22 54.951 55.875 -0.924 1
1 269 . 12 1 1 A 22 22 GLU HA H 22 5.487 4.684 0.803 1
1 270 . 12 1 1 A 22 22 GLU CB C 22 33.588 31.526 2.062 1
1 276 . 12 1 1 A 22 22 GLU C C 22 174.491 175.897 -1.406 1
1 277 . 12 1 1 A 23 23 VAL N N 23 113.069 118.027 -4.958 1
1 278 . 12 1 1 A 23 23 VAL H H 23 7.410 8.734 -1.324 1
1 279 . 12 1 1 A 23 23 VAL CA C 23 59.793 59.365 0.428 1
1 280 . 12 1 1 A 23 23 VAL HA H 23 4.531 5.171 -0.640 1
1 281 . 12 1 1 A 23 23 VAL CB C 23 34.667 35.807 -1.140 1
1 291 . 12 1 1 A 23 23 VAL C C 23 172.541 174.234 -1.693 1
1 292 . 12 1 1 A 24 24 THR N N 24 118.283 119.608 -1.325 1
1 293 . 12 1 1 A 24 24 THR H H 24 7.362 8.811 -1.449 1
1 294 . 12 1 1 A 24 24 THR CA C 24 61.708 62.748 -1.040 1
1 295 . 12 1 1 A 24 24 THR HA H 24 5.085 4.717 0.368 1
1 296 . 12 1 1 A 24 24 THR CB C 24 70.934 69.134 1.800 1
1 302 . 12 1 1 A 24 24 THR C C 24 174.274 174.511 -0.237 1
1 303 . 12 1 1 A 25 25 MET N N 25 121.971 123.905 -1.934 1
1 304 . 12 1 1 A 25 25 MET H H 25 9.523 9.264 0.259 1
1 305 . 12 1 1 A 25 25 MET CA C 25 54.328 53.020 1.308 1
1 306 . 12 1 1 A 25 25 MET HA H 25 4.929 5.610 -0.681 1
1 307 . 12 1 1 A 25 25 MET CB C 25 36.287 36.240 0.047 1
1 317 . 12 1 1 A 25 25 MET C C 25 173.841 175.061 -1.220 1
1 318 . 12 1 1 A 26 26 LYS N N 26 124.399 118.460 5.939 1
1 319 . 12 1 1 A 26 26 LYS H H 26 8.820 9.017 -0.197 1
1 320 . 12 1 1 A 26 26 LYS CA C 26 53.699 54.571 -0.872 1
1 321 . 12 1 1 A 26 26 LYS HA H 26 4.879 5.126 -0.247 1
1 322 . 12 1 1 A 26 26 LYS CB C 26 34.097 36.249 -2.152 1
1 332 . 12 1 1 A 26 26 LYS C C 26 174.968 175.222 -0.254 1
1 333 . 12 1 1 A 27 27 LYS N N 27 122.619 119.368 3.251 1
1 334 . 12 1 1 A 27 27 LYS H H 27 9.013 8.569 0.444 1
1 335 . 12 1 1 A 27 27 LYS CA C 27 58.078 57.158 0.920 1
1 336 . 12 1 1 A 27 27 LYS HA H 27 4.837 4.398 0.439 1
1 337 . 12 1 1 A 27 27 LYS CB C 27 32.269 31.946 0.323 1
1 349 . 12 1 1 A 27 27 LYS C C 27 177.307 177.004 0.303 1
1 350 . 12 1 1 A 28 28 GLY N N 28 115.785 113.494 2.291 1
1 351 . 12 1 1 A 28 28 GLY H H 28 8.902 9.090 -0.188 1
1 352 . 12 1 1 A 28 28 GLY CA C 28 44.564 44.961 -0.397 1
1 353 . 12 1 1 A 28 28 GLY HA2 H 28 3.538 4.043 -0.505 1
1 354 . 12 1 1 A 28 28 GLY HA3 H 28 4.481 4.046 0.435 1
1 355 . 12 1 1 A 28 28 GLY C C 28 174.014 174.084 -0.070 1
1 356 . 12 1 1 A 29 29 ASP N N 29 122.243 121.645 0.598 1
1 357 . 12 1 1 A 29 29 ASP H H 29 8.511 8.412 0.099 1
1 358 . 12 1 1 A 29 29 ASP CA C 29 55.353 53.991 1.362 1
1 359 . 12 1 1 A 29 29 ASP HA H 29 4.523 4.723 -0.200 1
1 360 . 12 1 1 A 29 29 ASP CB C 29 41.146 42.578 -1.432 1
1 363 . 12 1 1 A 29 29 ASP C C 29 174.274 175.662 -1.388 1
1 364 . 12 1 1 A 30 30 ILE N N 30 120.587 124.081 -3.494 1
1 365 . 12 1 1 A 30 30 ILE H H 30 8.227 8.487 -0.260 1
1 366 . 12 1 1 A 30 30 ILE CA C 30 60.366 60.406 -0.040 1
1 367 . 12 1 1 A 30 30 ILE HA H 30 5.036 5.096 -0.060 1
1 368 . 12 1 1 A 30 30 ILE CB C 30 38.210 40.809 -2.599 1
1 381 . 12 1 1 A 30 30 ILE C C 30 176.246 174.750 1.496 1
1 382 . 12 1 1 A 31 31 LEU N N 31 128.265 127.765 0.500 1
1 383 . 12 1 1 A 31 31 LEU H H 31 9.353 9.023 0.330 1
1 384 . 12 1 1 A 31 31 LEU CA C 31 53.414 53.322 0.092 1
1 385 . 12 1 1 A 31 31 LEU HA H 31 5.010 4.984 0.026 1
1 386 . 12 1 1 A 31 31 LEU CB C 31 43.893 45.467 -1.574 1
1 397 . 12 1 1 A 31 31 LEU C C 31 175.596 175.603 -0.007 1
1 398 . 12 1 1 A 32 32 THR N N 32 117.027 117.978 -0.951 1
1 399 . 12 1 1 A 32 32 THR H H 32 8.146 8.587 -0.441 1
1 400 . 12 1 1 A 32 32 THR CA C 32 63.046 62.156 0.890 1
1 401 . 12 1 1 A 32 32 THR HA H 32 4.629 4.822 -0.193 1
1 402 . 12 1 1 A 32 32 THR CB C 32 69.576 69.232 0.344 1
1 408 . 12 1 1 A 32 32 THR C C 32 173.559 174.845 -1.286 1
1 409 . 12 1 1 A 33 33 LEU N N 33 129.212 128.922 0.290 1
1 410 . 12 1 1 A 33 33 LEU H H 33 9.070 8.457 0.613 1
1 411 . 12 1 1 A 33 33 LEU CA C 33 54.894 56.219 -1.325 1
1 412 . 12 1 1 A 33 33 LEU HA H 33 4.351 4.383 -0.032 1
1 413 . 12 1 1 A 33 33 LEU CB C 33 43.191 42.134 1.057 1
1 426 . 12 1 1 A 33 33 LEU C C 33 174.513 176.306 -1.793 1
1 427 . 12 1 1 A 34 34 LEU N N 34 125.818 130.262 -4.444 1
1 428 . 12 1 1 A 34 34 LEU H H 34 9.060 9.116 -0.056 1
1 429 . 12 1 1 A 34 34 LEU CA C 34 54.885 55.904 -1.019 1
1 430 . 12 1 1 A 34 34 LEU HA H 34 4.523 4.432 0.091 1
1 431 . 12 1 1 A 34 34 LEU CB C 34 42.990 43.137 -0.147 1
1 443 . 12 1 1 A 34 34 LEU C C 34 177.502 176.041 1.461 1
1 444 . 12 1 1 A 35 35 ASN N N 35 114.008 117.124 -3.116 1
1 445 . 12 1 1 A 35 35 ASN H H 35 7.617 7.657 -0.040 1
1 446 . 12 1 1 A 35 35 ASN CA C 35 54.502 52.304 2.198 1
1 447 . 12 1 1 A 35 35 ASN HA H 35 4.736 5.006 -0.270 1
1 448 . 12 1 1 A 35 35 ASN CB C 35 40.933 40.608 0.325 1
1 454 . 12 1 1 A 35 35 ASN C C 35 174.318 175.221 -0.903 1
1 455 . 12 1 1 A 36 36 SER N N 36 123.608 118.833 4.775 1
1 456 . 12 1 1 A 36 36 SER H H 36 9.172 8.310 0.862 1
1 457 . 12 1 1 A 36 36 SER CA C 36 56.915 57.159 -0.244 1
1 458 . 12 1 1 A 36 36 SER HA H 36 3.940 4.260 -0.320 1
1 459 . 12 1 1 A 36 36 SER CB C 36 62.042 62.872 -0.830 1
1 462 . 12 1 1 A 36 36 SER C C 36 173.364 175.549 -2.185 1
1 463 . 12 1 1 A 37 37 THR N N 37 115.130 116.444 -1.314 1
1 464 . 12 1 1 A 37 37 THR H H 37 8.184 7.672 0.512 1
1 465 . 12 1 1 A 37 37 THR CA C 37 65.381 65.481 -0.100 1
1 466 . 12 1 1 A 37 37 THR HA H 37 3.980 3.949 0.031 1
1 467 . 12 1 1 A 37 37 THR CB C 37 69.489 69.229 0.260 1
1 473 . 12 1 1 A 37 37 THR C C 37 175.249 175.036 0.213 1
1 474 . 12 1 1 A 38 38 ASN N N 38 122.469 118.939 3.530 1
1 475 . 12 1 1 A 38 38 ASN H H 38 8.681 7.922 0.759 1
1 476 . 12 1 1 A 38 38 ASN CA C 38 53.337 52.527 0.810 1
1 477 . 12 1 1 A 38 38 ASN HA H 38 4.867 4.882 -0.015 1
1 478 . 12 1 1 A 38 38 ASN CB C 38 40.376 40.598 -0.222 1
1 484 . 12 1 1 A 38 38 ASN C C 38 174.599 175.481 -0.882 1
1 485 . 12 1 1 A 39 39 LYS N N 39 120.915 120.936 -0.021 1
1 486 . 12 1 1 A 39 39 LYS H H 39 8.516 8.517 -0.001 1
1 487 . 12 1 1 A 39 39 LYS CA C 39 58.333 56.920 1.413 1
1 488 . 12 1 1 A 39 39 LYS HA H 39 4.247 4.800 -0.553 1
1 489 . 12 1 1 A 39 39 LYS CB C 39 32.371 34.416 -2.045 1
1 499 . 12 1 1 A 39 39 LYS C C 39 176.268 177.245 -0.977 1
1 500 . 12 1 1 A 40 40 ASP N N 40 114.512 117.774 -3.262 1
1 501 . 12 1 1 A 40 40 ASP H H 40 8.210 8.021 0.189 1
1 502 . 12 1 1 A 40 40 ASP CA C 40 55.083 55.745 -0.662 1
1 503 . 12 1 1 A 40 40 ASP HA H 40 4.544 4.444 0.100 1
1 504 . 12 1 1 A 40 40 ASP CB C 40 43.014 42.381 0.633 1
1 507 . 12 1 1 A 40 40 ASP C C 40 176.852 175.611 1.241 1
1 508 . 12 1 1 A 41 41 TRP N N 41 122.703 116.377 6.326 1
1 509 . 12 1 1 A 41 41 TRP H H 41 8.212 8.010 0.202 1
1 510 . 12 1 1 A 41 41 TRP CA C 41 56.005 56.087 -0.082 1
1 511 . 12 1 1 A 41 41 TRP HA H 41 5.078 5.197 -0.119 1
1 512 . 12 1 1 A 41 41 TRP CB C 41 32.019 30.280 1.739 1
1 527 . 12 1 1 A 41 41 TRP C C 41 174.166 175.919 -1.753 1
1 528 . 12 1 1 A 42 42 TRP N N 42 124.905 124.626 0.279 1
1 529 . 12 1 1 A 42 42 TRP H H 42 9.380 9.422 -0.042 1
1 530 . 12 1 1 A 42 42 TRP CA C 42 53.861 55.732 -1.871 1
1 531 . 12 1 1 A 42 42 TRP HA H 42 5.523 5.223 0.300 1
1 532 . 12 1 1 A 42 42 TRP CB C 42 31.543 31.449 0.094 1
1 547 . 12 1 1 A 42 42 TRP C C 42 174.144 176.029 -1.885 1
1 548 . 12 1 1 A 43 43 LYS N N 43 124.120 123.585 0.535 1
1 549 . 12 1 1 A 43 43 LYS H H 43 8.896 9.033 -0.137 1
1 550 . 12 1 1 A 43 43 LYS CA C 43 55.231 56.071 -0.840 1
1 551 . 12 1 1 A 43 43 LYS HA H 43 4.396 4.923 -0.527 1
1 552 . 12 1 1 A 43 43 LYS CB C 43 34.366 33.510 0.856 1
1 564 . 12 1 1 A 43 43 LYS C C 43 175.423 176.070 -0.647 1
1 565 . 12 1 1 A 44 44 VAL N N 44 121.984 117.846 4.138 1
1 566 . 12 1 1 A 44 44 VAL H H 44 9.430 8.837 0.593 1
1 567 . 12 1 1 A 44 44 VAL CA C 44 58.751 59.018 -0.267 1
1 568 . 12 1 1 A 44 44 VAL HA H 44 5.375 5.060 0.315 1
1 569 . 12 1 1 A 44 44 VAL CB C 44 36.378 36.004 0.374 1
1 579 . 12 1 1 A 44 44 VAL C C 44 173.234 173.588 -0.354 1
1 580 . 12 1 1 A 45 45 GLU N N 45 118.425 122.737 -4.312 1
1 581 . 12 1 1 A 45 45 GLU H H 45 8.757 9.302 -0.545 1
1 582 . 12 1 1 A 45 45 GLU CA C 45 54.139 55.074 -0.935 1
1 583 . 12 1 1 A 45 45 GLU HA H 45 5.423 5.410 0.013 1
1 584 . 12 1 1 A 45 45 GLU CB C 45 32.891 32.081 0.810 1
1 590 . 12 1 1 A 45 45 GLU C C 45 174.621 175.975 -1.354 1
1 591 . 12 1 1 A 46 46 VAL N N 46 123.694 120.376 3.318 1
1 592 . 12 1 1 A 46 46 VAL H H 46 9.089 9.084 0.005 1
1 593 . 12 1 1 A 46 46 VAL CA C 46 59.627 59.310 0.317 1
1 594 . 12 1 1 A 46 46 VAL HA H 46 4.669 5.109 -0.440 1
1 595 . 12 1 1 A 46 46 VAL CB C 46 35.290 35.595 -0.305 1
1 604 . 12 1 1 A 46 46 VAL C C 46 173.234 173.537 -0.303 1
1 605 . 12 1 1 A 47 47 LYS N N 47 124.893 121.688 3.205 1
1 606 . 12 1 1 A 47 47 LYS H H 47 8.455 8.681 -0.226 1
1 607 . 12 1 1 A 47 47 LYS CA C 47 55.404 54.857 0.547 1
1 608 . 12 1 1 A 47 47 LYS HA H 47 5.022 5.136 -0.114 1
1 609 . 12 1 1 A 47 47 LYS CB C 47 33.959 34.762 -0.803 1
1 619 . 12 1 1 A 47 47 LYS C C 47 175.899 175.049 0.850 1
1 620 . 12 1 1 A 48 48 ILE N N 48 124.447 128.783 -4.336 1
1 621 . 12 1 1 A 48 48 ILE H H 48 8.989 9.220 -0.231 1
1 622 . 12 1 1 A 48 48 ILE CA C 48 59.646 59.949 -0.303 1
1 623 . 12 1 1 A 48 48 ILE HA H 48 4.529 4.877 -0.348 1
1 624 . 12 1 1 A 48 48 ILE CB C 48 41.170 39.368 1.802 1
1 637 . 12 1 1 A 48 48 ILE C C 48 174.144 174.841 -0.697 1
1 638 . 12 1 1 A 49 49 THR N N 49 121.012 122.941 -1.929 1
1 639 . 12 1 1 A 49 49 THR H H 49 8.570 9.060 -0.490 1
1 640 . 12 1 1 A 49 49 THR CA C 49 61.301 62.181 -0.880 1
1 641 . 12 1 1 A 49 49 THR HA H 49 5.272 5.076 0.196 1
1 642 . 12 1 1 A 49 49 THR CB C 49 69.853 69.684 0.169 1
1 648 . 12 1 1 A 49 49 THR C C 49 174.318 174.020 0.298 1
1 649 . 12 1 1 A 50 50 VAL N N 50 126.754 126.712 0.042 1
1 650 . 12 1 1 A 50 50 VAL H H 50 9.104 9.231 -0.127 1
1 651 . 12 1 1 A 50 50 VAL CA C 50 61.070 61.430 -0.360 1
1 652 . 12 1 1 A 50 50 VAL HA H 50 4.292 4.539 -0.247 1
1 653 . 12 1 1 A 50 50 VAL CB C 50 34.452 34.661 -0.209 1
1 663 . 12 1 1 A 50 50 VAL C C 50 175.899 176.221 -0.322 1
1 664 . 12 1 1 A 51 51 ASN N N 51 127.590 127.205 0.385 1
1 665 . 12 1 1 A 51 51 ASN H H 51 9.619 9.451 0.168 1
1 666 . 12 1 1 A 51 51 ASN CA C 51 54.177 54.857 -0.680 1
1 667 . 12 1 1 A 51 51 ASN HA H 51 4.390 4.502 -0.112 1
1 668 . 12 1 1 A 51 51 ASN CB C 51 37.413 37.367 0.046 1
1 671 . 12 1 1 A 51 51 ASN C C 51 175.249 175.631 -0.382 1
1 672 . 12 1 1 A 52 52 GLY N N 52 102.845 103.624 -0.779 1
1 673 . 12 1 1 A 52 52 GLY H H 52 8.535 8.675 -0.140 1
1 674 . 12 1 1 A 52 52 GLY CA C 52 45.443 45.632 -0.189 1
1 675 . 12 1 1 A 52 52 GLY HA2 H 52 3.555 3.878 -0.323 1
1 676 . 12 1 1 A 52 52 GLY HA3 H 52 4.120 3.878 0.242 1
1 677 . 12 1 1 A 52 52 GLY C C 52 176.398 173.822 2.576 1
1 678 . 12 1 1 A 53 53 LYS N N 53 121.989 120.550 1.439 1
1 679 . 12 1 1 A 53 53 LYS H H 53 7.849 8.018 -0.169 1
1 680 . 12 1 1 A 53 53 LYS CA C 53 54.807 54.613 0.194 1
1 681 . 12 1 1 A 53 53 LYS HA H 53 4.641 4.482 0.159 1
1 682 . 12 1 1 A 53 53 LYS CB C 53 34.440 34.456 -0.016 1
1 694 . 12 1 1 A 53 53 LYS C C 53 174.513 175.627 -1.114 1
1 695 . 12 1 1 A 54 54 THR N N 54 118.860 117.011 1.849 1
1 696 . 12 1 1 A 54 54 THR H H 54 8.445 8.552 -0.107 1
1 697 . 12 1 1 A 54 54 THR CA C 54 62.074 61.657 0.417 1
1 698 . 12 1 1 A 54 54 THR HA H 54 5.167 4.437 0.730 1
1 699 . 12 1 1 A 54 54 THR CB C 54 70.071 69.647 0.424 1
1 705 . 12 1 1 A 54 54 THR C C 54 173.689 173.808 -0.119 1
1 706 . 12 1 1 A 55 55 TYR N N 55 125.966 122.579 3.387 1
1 707 . 12 1 1 A 55 55 TYR H H 55 9.319 9.492 -0.173 1
1 708 . 12 1 1 A 55 55 TYR CA C 55 56.507 56.245 0.262 1
1 709 . 12 1 1 A 55 55 TYR HA H 55 4.767 5.090 -0.323 1
1 710 . 12 1 1 A 55 55 TYR CB C 55 40.591 42.468 -1.877 1
1 721 . 12 1 1 A 55 55 TYR C C 55 173.538 175.161 -1.623 1
1 722 . 12 1 1 A 56 56 GLU N N 56 119.827 121.323 -1.496 1
1 723 . 12 1 1 A 56 56 GLU H H 56 8.568 8.887 -0.319 1
1 724 . 12 1 1 A 56 56 GLU CA C 56 54.503 55.275 -0.772 1
1 725 . 12 1 1 A 56 56 GLU HA H 56 5.247 5.422 -0.175 1
1 726 . 12 1 1 A 56 56 GLU CB C 56 30.297 32.679 -2.382 1
1 732 . 12 1 1 A 56 56 GLU C C 56 175.726 175.367 0.359 1
1 733 . 12 1 1 A 57 57 ARG N N 57 123.399 122.067 1.332 1
1 734 . 12 1 1 A 57 57 ARG H H 57 8.971 8.424 0.547 1
1 735 . 12 1 1 A 57 57 ARG CA C 57 54.944 54.601 0.343 1
1 736 . 12 1 1 A 57 57 ARG HA H 57 4.710 5.073 -0.363 1
1 737 . 12 1 1 A 57 57 ARG CB C 57 33.362 34.005 -0.643 1
1 746 . 12 1 1 A 57 57 ARG C C 57 174.166 174.644 -0.478 1
1 747 . 12 1 1 A 58 58 GLN N N 58 120.188 119.638 0.550 1
1 748 . 12 1 1 A 58 58 GLN H H 58 8.634 8.611 0.023 1
1 749 . 12 1 1 A 58 58 GLN CA C 58 53.251 54.798 -1.547 1
1 750 . 12 1 1 A 58 58 GLN HA H 58 5.602 5.308 0.294 1
1 751 . 12 1 1 A 58 58 GLN CB C 58 31.229 30.842 0.387 1
1 760 . 12 1 1 A 58 58 GLN C C 58 175.726 174.656 1.070 1
1 761 . 12 1 1 A 59 59 GLY N N 59 107.196 108.942 -1.746 1
1 762 . 12 1 1 A 59 59 GLY H H 59 8.644 8.976 -0.332 1
1 763 . 12 1 1 A 59 59 GLY CA C 59 45.583 44.212 1.371 1
1 764 . 12 1 1 A 59 59 GLY HA2 H 59 3.947 4.190 -0.243 1
1 765 . 12 1 1 A 59 59 GLY HA3 H 59 3.947 4.374 -0.427 1
1 766 . 12 1 1 A 59 59 GLY C C 59 170.223 171.705 -1.482 1
1 767 . 12 1 1 A 60 60 PHE N N 60 119.079 119.117 -0.038 1
1 768 . 12 1 1 A 60 60 PHE H H 60 9.178 8.669 0.509 1
1 769 . 12 1 1 A 60 60 PHE CA C 60 58.544 57.946 0.598 1
1 770 . 12 1 1 A 60 60 PHE HA H 60 5.668 5.130 0.538 1
1 771 . 12 1 1 A 60 60 PHE CB C 60 42.484 40.728 1.756 1
1 784 . 12 1 1 A 60 60 PHE C C 60 175.423 175.758 -0.335 1
1 785 . 12 1 1 A 61 61 VAL N N 61 111.060 117.212 -6.152 1
1 786 . 12 1 1 A 61 61 VAL H H 61 9.089 9.009 0.080 1
1 787 . 12 1 1 A 61 61 VAL CA C 61 58.189 58.352 -0.163 1
1 788 . 12 1 1 A 61 61 VAL HA H 61 4.833 4.958 -0.125 1
1 789 . 12 1 1 A 61 61 VAL CB C 61 33.744 34.923 -1.179 1
1 800 . 12 1 1 A 62 62 PRO CA C 62 61.852 62.173 -0.321 1
1 801 . 12 1 1 A 62 62 PRO HA H 62 3.572 4.296 -0.724 1
1 802 . 12 1 1 A 62 62 PRO CB C 62 29.704 30.874 -1.170 1
1 810 . 12 1 1 A 62 62 PRO C C 62 177.719 177.530 0.189 1
1 811 . 12 1 1 A 63 63 ALA N N 63 129.142 128.442 0.700 1
1 812 . 12 1 1 A 63 63 ALA H H 63 7.477 8.439 -0.962 1
1 813 . 12 1 1 A 63 63 ALA CA C 63 54.472 54.505 -0.033 1
1 814 . 12 1 1 A 63 63 ALA HA H 63 2.655 3.753 -1.098 1
1 818 . 12 1 1 A 63 63 ALA CB C 63 15.740 17.064 -1.324 1
1 819 . 12 1 1 A 63 63 ALA C C 63 178.434 179.620 -1.186 1
1 820 . 12 1 1 A 64 64 ALA N N 64 113.410 119.177 -5.767 1
1 821 . 12 1 1 A 64 64 ALA H H 64 7.857 8.110 -0.253 1
1 822 . 12 1 1 A 64 64 ALA CA C 64 52.991 54.208 -1.217 1
1 823 . 12 1 1 A 64 64 ALA HA H 64 4.006 4.027 -0.021 1
1 827 . 12 1 1 A 64 64 ALA CB C 64 17.605 18.270 -0.665 1
1 828 . 12 1 1 A 64 64 ALA C C 64 178.109 178.122 -0.013 1
1 829 . 12 1 1 A 65 65 TYR N N 65 116.059 116.568 -0.509 1
1 830 . 12 1 1 A 65 65 TYR H H 65 7.705 7.940 -0.235 1
1 831 . 12 1 1 A 65 65 TYR CA C 65 56.477 58.603 -2.126 1
1 832 . 12 1 1 A 65 65 TYR HA H 65 4.758 4.665 0.093 1
1 833 . 12 1 1 A 65 65 TYR CB C 65 37.765 39.066 -1.301 1
1 844 . 12 1 1 A 65 65 TYR C C 65 174.361 175.763 -1.402 1
1 845 . 12 1 1 A 66 66 VAL N N 66 111.003 114.873 -3.870 1
1 846 . 12 1 1 A 66 66 VAL H H 66 7.422 7.520 -0.098 1
1 847 . 12 1 1 A 66 66 VAL CA C 66 58.268 59.062 -0.794 1
1 848 . 12 1 1 A 66 66 VAL HA H 66 5.547 5.040 0.507 1
1 849 . 12 1 1 A 66 66 VAL CB C 66 35.809 35.995 -0.186 1
1 859 . 12 1 1 A 66 66 VAL C C 66 173.538 174.065 -0.527 1
1 860 . 12 1 1 A 67 67 LYS N N 67 118.514 119.838 -1.324 1
1 861 . 12 1 1 A 67 67 LYS H H 67 8.636 8.990 -0.354 1
1 862 . 12 1 1 A 67 67 LYS CA C 67 53.828 54.697 -0.869 1
1 863 . 12 1 1 A 67 67 LYS HA H 67 4.840 5.022 -0.182 1
1 864 . 12 1 1 A 67 67 LYS CB C 67 36.636 36.051 0.585 1
1 876 . 12 1 1 A 67 67 LYS C C 67 176.029 175.340 0.689 1
1 877 . 12 1 1 A 68 68 LYS N N 68 125.817 122.196 3.621 1
1 878 . 12 1 1 A 68 68 LYS H H 68 9.246 8.717 0.529 1
1 879 . 12 1 1 A 68 68 LYS CA C 68 58.514 57.389 1.125 1
1 880 . 12 1 1 A 68 68 LYS HA H 68 4.494 4.419 0.075 1
1 881 . 12 1 1 A 68 68 LYS CB C 68 32.893 33.097 -0.204 1
1 891 . 12 1 1 A 68 68 LYS C C 68 176.679 176.793 -0.114 1
1 892 . 12 1 1 A 69 69 LEU N N 69 125.294 126.636 -1.342 1
1 893 . 12 1 1 A 69 69 LEU H H 69 8.506 9.000 -0.494 1
1 894 . 12 1 1 A 69 69 LEU CA C 69 54.873 56.574 -1.701 1
1 895 . 12 1 1 A 69 69 LEU HA H 69 4.429 4.459 -0.030 1
1 896 . 12 1 1 A 69 69 LEU CB C 69 42.631 43.085 -0.454 1
1 909 . 12 1 1 A 69 69 LEU C C 69 176.203 177.932 -1.729 1
1 10 . 13 1 1 A 2 2 ASP N N 2 123.392 116.280 7.112 1
1 11 . 13 1 1 A 2 2 ASP H H 2 8.830 7.905 0.925 1
1 12 . 13 1 1 A 2 2 ASP CA C 2 54.029 53.408 0.621 1
1 13 . 13 1 1 A 2 2 ASP HA H 2 4.699 4.990 -0.291 1
1 14 . 13 1 1 A 2 2 ASP CB C 2 40.198 40.352 -0.154 1
1 17 . 13 1 1 A 2 2 ASP C C 2 175.639 176.423 -0.784 1
1 18 . 13 1 1 A 3 3 GLU N N 3 121.824 119.312 2.512 1
1 19 . 13 1 1 A 3 3 GLU H H 3 8.663 8.205 0.458 1
1 20 . 13 1 1 A 3 3 GLU CA C 3 56.162 56.221 -0.059 1
1 21 . 13 1 1 A 3 3 GLU HA H 3 4.406 4.609 -0.203 1
1 22 . 13 1 1 A 3 3 GLU CB C 3 28.702 30.446 -1.744 1
1 28 . 13 1 1 A 3 3 GLU C C 3 176.354 178.290 -1.936 1
1 29 . 13 1 1 A 4 4 THR N N 4 114.607 116.127 -1.520 1
1 30 . 13 1 1 A 4 4 THR H H 4 8.285 7.813 0.472 1
1 31 . 13 1 1 A 4 4 THR CA C 4 62.425 65.407 -2.982 1
1 32 . 13 1 1 A 4 4 THR HA H 4 4.267 4.011 0.256 1
1 33 . 13 1 1 A 4 4 THR CB C 4 69.672 69.010 0.662 1
1 39 . 13 1 1 A 4 4 THR C C 4 175.271 174.785 0.486 1
1 40 . 13 1 1 A 5 5 GLY N N 5 111.345 109.316 2.029 1
1 41 . 13 1 1 A 5 5 GLY H H 5 8.436 8.221 0.215 1
1 42 . 13 1 1 A 5 5 GLY CA C 5 45.297 46.643 -1.346 1
1 43 . 13 1 1 A 5 5 GLY HA2 H 5 3.942 3.860 0.082 1
1 44 . 13 1 1 A 5 5 GLY HA3 H 5 3.942 3.861 0.081 1
1 45 . 13 1 1 A 5 5 GLY C C 5 173.668 173.867 -0.199 1
1 46 . 13 1 1 A 6 6 LYS N N 6 119.783 117.560 2.223 1
1 47 . 13 1 1 A 6 6 LYS H H 6 8.017 8.181 -0.164 1
1 48 . 13 1 1 A 6 6 LYS CA C 6 55.538 57.209 -1.671 1
1 49 . 13 1 1 A 6 6 LYS HA H 6 4.387 4.524 -0.137 1
1 50 . 13 1 1 A 6 6 LYS CB C 6 33.257 35.360 -2.103 1
1 62 . 13 1 1 A 6 6 LYS C C 6 176.029 176.168 -0.139 1
1 63 . 13 1 1 A 7 7 GLU N N 7 122.414 115.011 7.403 1
1 64 . 13 1 1 A 7 7 GLU H H 7 8.584 7.990 0.594 1
1 65 . 13 1 1 A 7 7 GLU CA C 7 55.404 55.194 0.210 1
1 66 . 13 1 1 A 7 7 GLU HA H 7 4.495 4.765 -0.270 1
1 67 . 13 1 1 A 7 7 GLU CB C 7 30.382 31.307 -0.925 1
1 73 . 13 1 1 A 7 7 GLU C C 7 174.014 174.645 -0.631 1
1 74 . 13 1 1 A 8 8 LEU N N 8 122.989 127.283 -4.294 1
1 75 . 13 1 1 A 8 8 LEU H H 8 8.414 8.837 -0.423 1
1 76 . 13 1 1 A 8 8 LEU CA C 8 53.188 53.291 -0.103 1
1 77 . 13 1 1 A 8 8 LEU HA H 8 5.381 5.391 -0.010 1
1 78 . 13 1 1 A 8 8 LEU CB C 8 45.173 44.450 0.723 1
1 90 . 13 1 1 A 8 8 LEU C C 8 177.329 176.136 1.193 1
1 91 . 13 1 1 A 9 9 VAL N N 9 111.709 119.465 -7.756 1
1 92 . 13 1 1 A 9 9 VAL H H 9 9.125 9.489 -0.364 1
1 93 . 13 1 1 A 9 9 VAL CA C 9 57.854 59.858 -2.004 1
1 94 . 13 1 1 A 9 9 VAL HA H 9 5.232 5.200 0.032 1
1 95 . 13 1 1 A 9 9 VAL CB C 9 35.864 34.482 1.382 1
1 105 . 13 1 1 A 9 9 VAL C C 9 172.368 174.067 -1.699 1
1 106 . 13 1 1 A 10 10 LEU N N 10 123.520 127.942 -4.422 1
1 107 . 13 1 1 A 10 10 LEU H H 10 8.989 9.032 -0.043 1
1 108 . 13 1 1 A 10 10 LEU CA C 10 52.445 53.703 -1.258 1
1 109 . 13 1 1 A 10 10 LEU HA H 10 5.113 5.199 -0.086 1
1 110 . 13 1 1 A 10 10 LEU CB C 10 46.776 44.627 2.149 1
1 123 . 13 1 1 A 10 10 LEU C C 10 176.549 175.778 0.771 1
1 124 . 13 1 1 A 11 11 ALA N N 11 127.272 128.380 -1.108 1
1 125 . 13 1 1 A 11 11 ALA H H 11 9.163 8.941 0.222 1
1 126 . 13 1 1 A 11 11 ALA CA C 11 52.416 51.946 0.470 1
1 127 . 13 1 1 A 11 11 ALA HA H 11 4.602 4.531 0.071 1
1 131 . 13 1 1 A 11 11 ALA CB C 11 19.274 19.060 0.214 1
1 132 . 13 1 1 A 11 11 ALA C C 11 178.282 177.030 1.252 1
1 133 . 13 1 1 A 12 12 LEU N N 12 127.769 124.910 2.859 1
1 134 . 13 1 1 A 12 12 LEU H H 12 9.257 9.172 0.085 1
1 135 . 13 1 1 A 12 12 LEU CA C 12 55.442 55.948 -0.506 1
1 136 . 13 1 1 A 12 12 LEU HA H 12 3.898 4.271 -0.373 1
1 137 . 13 1 1 A 12 12 LEU CB C 12 43.110 42.538 0.572 1
1 150 . 13 1 1 A 12 12 LEU C C 12 174.946 176.158 -1.212 1
1 151 . 13 1 1 A 13 13 TYR N N 13 111.673 115.516 -3.843 1
1 152 . 13 1 1 A 13 13 TYR H H 13 7.129 8.048 -0.919 1
1 153 . 13 1 1 A 13 13 TYR CA C 13 54.720 56.863 -2.143 1
1 154 . 13 1 1 A 13 13 TYR HA H 13 4.633 4.903 -0.270 1
1 155 . 13 1 1 A 13 13 TYR CB C 13 43.043 41.849 1.194 1
1 166 . 13 1 1 A 13 13 TYR C C 13 173.668 175.056 -1.388 1
1 167 . 13 1 1 A 14 14 ASP N N 14 117.814 119.861 -2.047 1
1 168 . 13 1 1 A 14 14 ASP H H 14 8.347 8.889 -0.542 1
1 169 . 13 1 1 A 14 14 ASP CA C 14 54.571 52.993 1.578 1
1 170 . 13 1 1 A 14 14 ASP HA H 14 4.633 5.659 -1.026 1
1 171 . 13 1 1 A 14 14 ASP CB C 14 41.136 42.983 -1.847 1
1 174 . 13 1 1 A 14 14 ASP C C 14 176.051 174.542 1.509 1
1 175 . 13 1 1 A 15 15 TYR N N 15 120.213 123.635 -3.422 1
1 176 . 13 1 1 A 15 15 TYR H H 15 8.748 9.322 -0.574 1
1 177 . 13 1 1 A 15 15 TYR CA C 15 59.454 56.523 2.931 1
1 178 . 13 1 1 A 15 15 TYR HA H 15 4.654 5.351 -0.697 1
1 179 . 13 1 1 A 15 15 TYR CB C 15 43.400 42.654 0.746 1
1 190 . 13 1 1 A 15 15 TYR C C 15 172.758 173.873 -1.115 1
1 191 . 13 1 1 A 16 16 GLN N N 16 126.986 124.342 2.644 1
1 192 . 13 1 1 A 16 16 GLN H H 16 7.558 8.300 -0.742 1
1 193 . 13 1 1 A 16 16 GLN CA C 16 53.534 54.144 -0.610 1
1 194 . 13 1 1 A 16 16 GLN HA H 16 4.500 4.945 -0.445 1
1 195 . 13 1 1 A 16 16 GLN CB C 16 29.071 31.498 -2.427 1
1 204 . 13 1 1 A 16 16 GLN C C 16 173.863 174.276 -0.413 1
1 205 . 13 1 1 A 17 17 GLU N N 17 123.063 120.980 2.083 1
1 206 . 13 1 1 A 17 17 GLU H H 17 7.979 8.491 -0.512 1
1 207 . 13 1 1 A 17 17 GLU CA C 17 55.935 55.799 0.136 1
1 208 . 13 1 1 A 17 17 GLU HA H 17 4.182 4.659 -0.477 1
1 209 . 13 1 1 A 17 17 GLU CB C 17 28.948 30.583 -1.635 1
1 215 . 13 1 1 A 17 17 GLU C C 17 175.899 175.615 0.284 1
1 216 . 13 1 1 A 18 18 LYS N N 18 120.853 124.014 -3.161 1
1 217 . 13 1 1 A 18 18 LYS H H 18 8.771 9.072 -0.301 1
1 218 . 13 1 1 A 18 18 LYS CA C 18 55.393 57.456 -2.063 1
1 219 . 13 1 1 A 18 18 LYS HA H 18 4.390 4.405 -0.015 1
1 220 . 13 1 1 A 18 18 LYS CB C 18 33.393 34.044 -0.651 1
1 232 . 13 1 1 A 18 18 LYS C C 18 176.138 175.885 0.253 1
1 233 . 13 1 1 A 19 19 SER N N 19 115.089 112.628 2.461 1
1 234 . 13 1 1 A 19 19 SER H H 19 7.658 8.094 -0.436 1
1 235 . 13 1 1 A 19 19 SER CA C 19 56.821 55.666 1.155 1
1 236 . 13 1 1 A 19 19 SER HA H 19 4.863 4.848 0.015 1
1 237 . 13 1 1 A 19 19 SER CB C 19 64.208 64.731 -0.523 1
1 241 . 13 1 1 A 20 20 PRO CA C 20 64.803 64.400 0.403 1
1 242 . 13 1 1 A 20 20 PRO HA H 20 4.521 4.522 -0.001 1
1 243 . 13 1 1 A 20 20 PRO CB C 20 31.657 31.717 -0.060 1
1 251 . 13 1 1 A 20 20 PRO C C 20 176.657 177.026 -0.369 1
1 252 . 13 1 1 A 21 21 ARG N N 21 113.827 115.809 -1.982 1
1 253 . 13 1 1 A 21 21 ARG H H 21 7.694 8.379 -0.685 1
1 254 . 13 1 1 A 21 21 ARG CA C 21 56.119 57.767 -1.648 1
1 255 . 13 1 1 A 21 21 ARG HA H 21 4.593 4.358 0.235 1
1 256 . 13 1 1 A 21 21 ARG CB C 21 30.299 30.730 -0.431 1
1 265 . 13 1 1 A 21 21 ARG C C 21 173.386 176.759 -3.373 1
1 266 . 13 1 1 A 22 22 GLU N N 22 121.389 120.765 0.624 1
1 267 . 13 1 1 A 22 22 GLU H H 22 7.850 7.614 0.236 1
1 268 . 13 1 1 A 22 22 GLU CA C 22 54.951 55.892 -0.941 1
1 269 . 13 1 1 A 22 22 GLU HA H 22 5.487 4.729 0.758 1
1 270 . 13 1 1 A 22 22 GLU CB C 22 33.588 30.763 2.825 1
1 276 . 13 1 1 A 22 22 GLU C C 22 174.491 175.969 -1.478 1
1 277 . 13 1 1 A 23 23 VAL N N 23 113.069 119.066 -5.997 1
1 278 . 13 1 1 A 23 23 VAL H H 23 7.410 8.744 -1.334 1
1 279 . 13 1 1 A 23 23 VAL CA C 23 59.793 60.257 -0.464 1
1 280 . 13 1 1 A 23 23 VAL HA H 23 4.531 4.817 -0.286 1
1 281 . 13 1 1 A 23 23 VAL CB C 23 34.667 33.994 0.673 1
1 291 . 13 1 1 A 23 23 VAL C C 23 172.541 174.907 -2.366 1
1 292 . 13 1 1 A 24 24 THR N N 24 118.283 120.063 -1.780 1
1 293 . 13 1 1 A 24 24 THR H H 24 7.362 8.820 -1.458 1
1 294 . 13 1 1 A 24 24 THR CA C 24 61.708 62.737 -1.029 1
1 295 . 13 1 1 A 24 24 THR HA H 24 5.085 4.697 0.388 1
1 296 . 13 1 1 A 24 24 THR CB C 24 70.934 69.317 1.617 1
1 302 . 13 1 1 A 24 24 THR C C 24 174.274 174.438 -0.164 1
1 303 . 13 1 1 A 25 25 MET N N 25 121.971 124.074 -2.103 1
1 304 . 13 1 1 A 25 25 MET H H 25 9.523 9.381 0.142 1
1 305 . 13 1 1 A 25 25 MET CA C 25 54.328 53.398 0.930 1
1 306 . 13 1 1 A 25 25 MET HA H 25 4.929 5.566 -0.637 1
1 307 . 13 1 1 A 25 25 MET CB C 25 36.287 35.741 0.546 1
1 317 . 13 1 1 A 25 25 MET C C 25 173.841 175.059 -1.218 1
1 318 . 13 1 1 A 26 26 LYS N N 26 124.399 120.749 3.650 1
1 319 . 13 1 1 A 26 26 LYS H H 26 8.820 8.773 0.047 1
1 320 . 13 1 1 A 26 26 LYS CA C 26 53.699 54.231 -0.532 1
1 321 . 13 1 1 A 26 26 LYS HA H 26 4.879 4.977 -0.098 1
1 322 . 13 1 1 A 26 26 LYS CB C 26 34.097 36.252 -2.155 1
1 332 . 13 1 1 A 26 26 LYS C C 26 174.968 176.334 -1.366 1
1 333 . 13 1 1 A 27 27 LYS N N 27 122.619 121.642 0.977 1
1 334 . 13 1 1 A 27 27 LYS H H 27 9.013 8.592 0.421 1
1 335 . 13 1 1 A 27 27 LYS CA C 27 58.078 57.073 1.005 1
1 336 . 13 1 1 A 27 27 LYS HA H 27 4.837 4.419 0.418 1
1 337 . 13 1 1 A 27 27 LYS CB C 27 32.269 31.956 0.313 1
1 349 . 13 1 1 A 27 27 LYS C C 27 177.307 177.006 0.301 1
1 350 . 13 1 1 A 28 28 GLY N N 28 115.785 113.315 2.470 1
1 351 . 13 1 1 A 28 28 GLY H H 28 8.902 8.978 -0.076 1
1 352 . 13 1 1 A 28 28 GLY CA C 28 44.564 45.084 -0.520 1
1 353 . 13 1 1 A 28 28 GLY HA2 H 28 3.538 4.025 -0.487 1
1 354 . 13 1 1 A 28 28 GLY HA3 H 28 4.481 4.030 0.451 1
1 355 . 13 1 1 A 28 28 GLY C C 28 174.014 174.176 -0.162 1
1 356 . 13 1 1 A 29 29 ASP N N 29 122.243 121.558 0.685 1
1 357 . 13 1 1 A 29 29 ASP H H 29 8.511 8.337 0.174 1
1 358 . 13 1 1 A 29 29 ASP CA C 29 55.353 54.158 1.195 1
1 359 . 13 1 1 A 29 29 ASP HA H 29 4.523 4.681 -0.158 1
1 360 . 13 1 1 A 29 29 ASP CB C 29 41.146 42.447 -1.301 1
1 363 . 13 1 1 A 29 29 ASP C C 29 174.274 175.893 -1.619 1
1 364 . 13 1 1 A 30 30 ILE N N 30 120.587 123.646 -3.059 1
1 365 . 13 1 1 A 30 30 ILE H H 30 8.227 8.417 -0.190 1
1 366 . 13 1 1 A 30 30 ILE CA C 30 60.366 60.476 -0.110 1
1 367 . 13 1 1 A 30 30 ILE HA H 30 5.036 5.269 -0.233 1
1 368 . 13 1 1 A 30 30 ILE CB C 30 38.210 41.910 -3.700 1
1 381 . 13 1 1 A 30 30 ILE C C 30 176.246 174.836 1.410 1
1 382 . 13 1 1 A 31 31 LEU N N 31 128.265 126.800 1.465 1
1 383 . 13 1 1 A 31 31 LEU H H 31 9.353 8.907 0.446 1
1 384 . 13 1 1 A 31 31 LEU CA C 31 53.414 53.276 0.138 1
1 385 . 13 1 1 A 31 31 LEU HA H 31 5.010 4.990 0.020 1
1 386 . 13 1 1 A 31 31 LEU CB C 31 43.893 45.403 -1.510 1
1 397 . 13 1 1 A 31 31 LEU C C 31 175.596 175.575 0.021 1
1 398 . 13 1 1 A 32 32 THR N N 32 117.027 117.749 -0.722 1
1 399 . 13 1 1 A 32 32 THR H H 32 8.146 8.526 -0.380 1
1 400 . 13 1 1 A 32 32 THR CA C 32 63.046 62.155 0.891 1
1 401 . 13 1 1 A 32 32 THR HA H 32 4.629 4.877 -0.248 1
1 402 . 13 1 1 A 32 32 THR CB C 32 69.576 69.375 0.201 1
1 408 . 13 1 1 A 32 32 THR C C 32 173.559 174.831 -1.272 1
1 409 . 13 1 1 A 33 33 LEU N N 33 129.212 128.863 0.349 1
1 410 . 13 1 1 A 33 33 LEU H H 33 9.070 8.465 0.605 1
1 411 . 13 1 1 A 33 33 LEU CA C 33 54.894 56.197 -1.303 1
1 412 . 13 1 1 A 33 33 LEU HA H 33 4.351 4.325 0.026 1
1 413 . 13 1 1 A 33 33 LEU CB C 33 43.191 42.029 1.162 1
1 426 . 13 1 1 A 33 33 LEU C C 33 174.513 176.388 -1.875 1
1 427 . 13 1 1 A 34 34 LEU N N 34 125.818 129.985 -4.167 1
1 428 . 13 1 1 A 34 34 LEU H H 34 9.060 9.026 0.034 1
1 429 . 13 1 1 A 34 34 LEU CA C 34 54.885 55.724 -0.839 1
1 430 . 13 1 1 A 34 34 LEU HA H 34 4.523 4.523 0.000 1
1 431 . 13 1 1 A 34 34 LEU CB C 34 42.990 43.295 -0.305 1
1 443 . 13 1 1 A 34 34 LEU C C 34 177.502 175.909 1.593 1
1 444 . 13 1 1 A 35 35 ASN N N 35 114.008 117.320 -3.312 1
1 445 . 13 1 1 A 35 35 ASN H H 35 7.617 8.322 -0.705 1
1 446 . 13 1 1 A 35 35 ASN CA C 35 54.502 52.631 1.871 1
1 447 . 13 1 1 A 35 35 ASN HA H 35 4.736 5.007 -0.271 1
1 448 . 13 1 1 A 35 35 ASN CB C 35 40.933 40.692 0.241 1
1 454 . 13 1 1 A 35 35 ASN C C 35 174.318 174.562 -0.244 1
1 455 . 13 1 1 A 36 36 SER N N 36 123.608 117.703 5.905 1
1 456 . 13 1 1 A 36 36 SER H H 36 9.172 8.391 0.781 1
1 457 . 13 1 1 A 36 36 SER CA C 36 56.915 56.888 0.027 1
1 458 . 13 1 1 A 36 36 SER HA H 36 3.940 4.407 -0.467 1
1 459 . 13 1 1 A 36 36 SER CB C 36 62.042 62.692 -0.650 1
1 462 . 13 1 1 A 36 36 SER C C 36 173.364 175.337 -1.973 1
1 463 . 13 1 1 A 37 37 THR N N 37 115.130 115.813 -0.683 1
1 464 . 13 1 1 A 37 37 THR H H 37 8.184 7.597 0.587 1
1 465 . 13 1 1 A 37 37 THR CA C 37 65.381 65.462 -0.081 1
1 466 . 13 1 1 A 37 37 THR HA H 37 3.980 3.962 0.018 1
1 467 . 13 1 1 A 37 37 THR CB C 37 69.489 69.215 0.274 1
1 473 . 13 1 1 A 37 37 THR C C 37 175.249 174.491 0.758 1
1 474 . 13 1 1 A 38 38 ASN N N 38 122.469 117.592 4.877 1
1 475 . 13 1 1 A 38 38 ASN H H 38 8.681 8.316 0.365 1
1 476 . 13 1 1 A 38 38 ASN CA C 38 53.337 51.843 1.494 1
1 477 . 13 1 1 A 38 38 ASN HA H 38 4.867 5.183 -0.316 1
1 478 . 13 1 1 A 38 38 ASN CB C 38 40.376 40.701 -0.325 1
1 484 . 13 1 1 A 38 38 ASN C C 38 174.599 174.975 -0.376 1
1 485 . 13 1 1 A 39 39 LYS N N 39 120.915 119.553 1.362 1
1 486 . 13 1 1 A 39 39 LYS H H 39 8.516 8.810 -0.294 1
1 487 . 13 1 1 A 39 39 LYS CA C 39 58.333 56.658 1.675 1
1 488 . 13 1 1 A 39 39 LYS HA H 39 4.247 4.785 -0.538 1
1 489 . 13 1 1 A 39 39 LYS CB C 39 32.371 34.506 -2.135 1
1 499 . 13 1 1 A 39 39 LYS C C 39 176.268 177.484 -1.216 1
1 500 . 13 1 1 A 40 40 ASP N N 40 114.512 117.542 -3.030 1
1 501 . 13 1 1 A 40 40 ASP H H 40 8.210 8.005 0.205 1
1 502 . 13 1 1 A 40 40 ASP CA C 40 55.083 55.812 -0.729 1
1 503 . 13 1 1 A 40 40 ASP HA H 40 4.544 4.321 0.223 1
1 504 . 13 1 1 A 40 40 ASP CB C 40 43.014 41.828 1.186 1
1 507 . 13 1 1 A 40 40 ASP C C 40 176.852 175.696 1.156 1
1 508 . 13 1 1 A 41 41 TRP N N 41 122.703 116.284 6.419 1
1 509 . 13 1 1 A 41 41 TRP H H 41 8.212 8.026 0.186 1
1 510 . 13 1 1 A 41 41 TRP CA C 41 56.005 55.952 0.053 1
1 511 . 13 1 1 A 41 41 TRP HA H 41 5.078 5.223 -0.145 1
1 512 . 13 1 1 A 41 41 TRP CB C 41 32.019 30.215 1.804 1
1 527 . 13 1 1 A 41 41 TRP C C 41 174.166 175.573 -1.407 1
1 528 . 13 1 1 A 42 42 TRP N N 42 124.905 124.587 0.318 1
1 529 . 13 1 1 A 42 42 TRP H H 42 9.380 9.337 0.043 1
1 530 . 13 1 1 A 42 42 TRP CA C 42 53.861 55.467 -1.606 1
1 531 . 13 1 1 A 42 42 TRP HA H 42 5.523 5.209 0.314 1
1 532 . 13 1 1 A 42 42 TRP CB C 42 31.543 31.348 0.195 1
1 547 . 13 1 1 A 42 42 TRP C C 42 174.144 175.919 -1.775 1
1 548 . 13 1 1 A 43 43 LYS N N 43 124.120 123.082 1.038 1
1 549 . 13 1 1 A 43 43 LYS H H 43 8.896 9.139 -0.243 1
1 550 . 13 1 1 A 43 43 LYS CA C 43 55.231 55.557 -0.326 1
1 551 . 13 1 1 A 43 43 LYS HA H 43 4.396 4.676 -0.280 1
1 552 . 13 1 1 A 43 43 LYS CB C 43 34.366 33.236 1.130 1
1 564 . 13 1 1 A 43 43 LYS C C 43 175.423 175.943 -0.520 1
1 565 . 13 1 1 A 44 44 VAL N N 44 121.984 118.305 3.679 1
1 566 . 13 1 1 A 44 44 VAL H H 44 9.430 9.005 0.425 1
1 567 . 13 1 1 A 44 44 VAL CA C 44 58.751 59.277 -0.526 1
1 568 . 13 1 1 A 44 44 VAL HA H 44 5.375 5.171 0.204 1
1 569 . 13 1 1 A 44 44 VAL CB C 44 36.378 35.370 1.008 1
1 579 . 13 1 1 A 44 44 VAL C C 44 173.234 173.605 -0.371 1
1 580 . 13 1 1 A 45 45 GLU N N 45 118.425 121.266 -2.841 1
1 581 . 13 1 1 A 45 45 GLU H H 45 8.757 8.896 -0.139 1
1 582 . 13 1 1 A 45 45 GLU CA C 45 54.139 54.841 -0.702 1
1 583 . 13 1 1 A 45 45 GLU HA H 45 5.423 5.527 -0.104 1
1 584 . 13 1 1 A 45 45 GLU CB C 45 32.891 33.454 -0.563 1
1 590 . 13 1 1 A 45 45 GLU C C 45 174.621 175.095 -0.474 1
1 591 . 13 1 1 A 46 46 VAL N N 46 123.694 119.910 3.784 1
1 592 . 13 1 1 A 46 46 VAL H H 46 9.089 8.895 0.194 1
1 593 . 13 1 1 A 46 46 VAL CA C 46 59.627 58.714 0.913 1
1 594 . 13 1 1 A 46 46 VAL HA H 46 4.669 5.063 -0.394 1
1 595 . 13 1 1 A 46 46 VAL CB C 46 35.290 35.372 -0.082 1
1 604 . 13 1 1 A 46 46 VAL C C 46 173.234 173.425 -0.191 1
1 605 . 13 1 1 A 47 47 LYS N N 47 124.893 121.890 3.003 1
1 606 . 13 1 1 A 47 47 LYS H H 47 8.455 8.806 -0.351 1
1 607 . 13 1 1 A 47 47 LYS CA C 47 55.404 54.705 0.699 1
1 608 . 13 1 1 A 47 47 LYS HA H 47 5.022 5.367 -0.345 1
1 609 . 13 1 1 A 47 47 LYS CB C 47 33.959 35.356 -1.397 1
1 619 . 13 1 1 A 47 47 LYS C C 47 175.899 175.188 0.711 1
1 620 . 13 1 1 A 48 48 ILE N N 48 124.447 126.593 -2.146 1
1 621 . 13 1 1 A 48 48 ILE H H 48 8.989 9.338 -0.349 1
1 622 . 13 1 1 A 48 48 ILE CA C 48 59.646 60.023 -0.377 1
1 623 . 13 1 1 A 48 48 ILE HA H 48 4.529 4.924 -0.395 1
1 624 . 13 1 1 A 48 48 ILE CB C 48 41.170 40.709 0.461 1
1 637 . 13 1 1 A 48 48 ILE C C 48 174.144 174.949 -0.805 1
1 638 . 13 1 1 A 49 49 THR N N 49 121.012 123.694 -2.682 1
1 639 . 13 1 1 A 49 49 THR H H 49 8.570 8.932 -0.362 1
1 640 . 13 1 1 A 49 49 THR CA C 49 61.301 62.247 -0.946 1
1 641 . 13 1 1 A 49 49 THR HA H 49 5.272 4.884 0.388 1
1 642 . 13 1 1 A 49 49 THR CB C 49 69.853 68.665 1.188 1
1 648 . 13 1 1 A 49 49 THR C C 49 174.318 173.991 0.327 1
1 649 . 13 1 1 A 50 50 VAL N N 50 126.754 126.816 -0.062 1
1 650 . 13 1 1 A 50 50 VAL H H 50 9.104 9.290 -0.186 1
1 651 . 13 1 1 A 50 50 VAL CA C 50 61.070 61.212 -0.142 1
1 652 . 13 1 1 A 50 50 VAL HA H 50 4.292 4.519 -0.227 1
1 653 . 13 1 1 A 50 50 VAL CB C 50 34.452 32.892 1.560 1
1 663 . 13 1 1 A 50 50 VAL C C 50 175.899 176.507 -0.608 1
1 664 . 13 1 1 A 51 51 ASN N N 51 127.590 126.410 1.180 1
1 665 . 13 1 1 A 51 51 ASN H H 51 9.619 9.412 0.207 1
1 666 . 13 1 1 A 51 51 ASN CA C 51 54.177 54.233 -0.056 1
1 667 . 13 1 1 A 51 51 ASN HA H 51 4.390 4.413 -0.023 1
1 668 . 13 1 1 A 51 51 ASN CB C 51 37.413 37.511 -0.098 1
1 671 . 13 1 1 A 51 51 ASN C C 51 175.249 174.468 0.781 1
1 672 . 13 1 1 A 52 52 GLY N N 52 102.845 104.538 -1.693 1
1 673 . 13 1 1 A 52 52 GLY H H 52 8.535 8.477 0.058 1
1 674 . 13 1 1 A 52 52 GLY CA C 52 45.443 45.384 0.059 1
1 675 . 13 1 1 A 52 52 GLY HA2 H 52 3.555 3.875 -0.320 1
1 676 . 13 1 1 A 52 52 GLY HA3 H 52 4.120 3.876 0.244 1
1 677 . 13 1 1 A 52 52 GLY C C 52 176.398 173.678 2.720 1
1 678 . 13 1 1 A 53 53 LYS N N 53 121.989 120.509 1.480 1
1 679 . 13 1 1 A 53 53 LYS H H 53 7.849 7.804 0.045 1
1 680 . 13 1 1 A 53 53 LYS CA C 53 54.807 55.417 -0.610 1
1 681 . 13 1 1 A 53 53 LYS HA H 53 4.641 4.231 0.410 1
1 682 . 13 1 1 A 53 53 LYS CB C 53 34.440 32.794 1.646 1
1 694 . 13 1 1 A 53 53 LYS C C 53 174.513 176.333 -1.820 1
1 695 . 13 1 1 A 54 54 THR N N 54 118.860 117.057 1.803 1
1 696 . 13 1 1 A 54 54 THR H H 54 8.445 8.387 0.058 1
1 697 . 13 1 1 A 54 54 THR CA C 54 62.074 61.668 0.406 1
1 698 . 13 1 1 A 54 54 THR HA H 54 5.167 4.619 0.548 1
1 699 . 13 1 1 A 54 54 THR CB C 54 70.071 69.693 0.378 1
1 705 . 13 1 1 A 54 54 THR C C 54 173.689 173.818 -0.129 1
1 706 . 13 1 1 A 55 55 TYR N N 55 125.966 122.243 3.723 1
1 707 . 13 1 1 A 55 55 TYR H H 55 9.319 9.566 -0.247 1
1 708 . 13 1 1 A 55 55 TYR CA C 55 56.507 56.168 0.339 1
1 709 . 13 1 1 A 55 55 TYR HA H 55 4.767 5.041 -0.274 1
1 710 . 13 1 1 A 55 55 TYR CB C 55 40.591 42.821 -2.230 1
1 721 . 13 1 1 A 55 55 TYR C C 55 173.538 175.179 -1.641 1
1 722 . 13 1 1 A 56 56 GLU N N 56 119.827 121.081 -1.254 1
1 723 . 13 1 1 A 56 56 GLU H H 56 8.568 8.881 -0.313 1
1 724 . 13 1 1 A 56 56 GLU CA C 56 54.503 55.139 -0.636 1
1 725 . 13 1 1 A 56 56 GLU HA H 56 5.247 5.511 -0.264 1
1 726 . 13 1 1 A 56 56 GLU CB C 56 30.297 32.892 -2.595 1
1 732 . 13 1 1 A 56 56 GLU C C 56 175.726 175.834 -0.108 1
1 733 . 13 1 1 A 57 57 ARG N N 57 123.399 121.055 2.344 1
1 734 . 13 1 1 A 57 57 ARG H H 57 8.971 8.648 0.323 1
1 735 . 13 1 1 A 57 57 ARG CA C 57 54.944 54.336 0.608 1
1 736 . 13 1 1 A 57 57 ARG HA H 57 4.710 5.026 -0.316 1
1 737 . 13 1 1 A 57 57 ARG CB C 57 33.362 33.928 -0.566 1
1 746 . 13 1 1 A 57 57 ARG C C 57 174.166 174.444 -0.278 1
1 747 . 13 1 1 A 58 58 GLN N N 58 120.188 120.449 -0.261 1
1 748 . 13 1 1 A 58 58 GLN H H 58 8.634 8.388 0.246 1
1 749 . 13 1 1 A 58 58 GLN CA C 58 53.251 54.748 -1.497 1
1 750 . 13 1 1 A 58 58 GLN HA H 58 5.602 5.118 0.484 1
1 751 . 13 1 1 A 58 58 GLN CB C 58 31.229 30.335 0.894 1
1 760 . 13 1 1 A 58 58 GLN C C 58 175.726 175.234 0.492 1
1 761 . 13 1 1 A 59 59 GLY N N 59 107.196 109.484 -2.288 1
1 762 . 13 1 1 A 59 59 GLY H H 59 8.644 8.962 -0.318 1
1 763 . 13 1 1 A 59 59 GLY CA C 59 45.583 44.245 1.338 1
1 764 . 13 1 1 A 59 59 GLY HA2 H 59 3.947 4.172 -0.225 1
1 765 . 13 1 1 A 59 59 GLY HA3 H 59 3.947 4.277 -0.330 1
1 766 . 13 1 1 A 59 59 GLY C C 59 170.223 171.768 -1.545 1
1 767 . 13 1 1 A 60 60 PHE N N 60 119.079 122.669 -3.590 1
1 768 . 13 1 1 A 60 60 PHE H H 60 9.178 8.554 0.624 1
1 769 . 13 1 1 A 60 60 PHE CA C 60 58.544 58.046 0.498 1
1 770 . 13 1 1 A 60 60 PHE HA H 60 5.668 5.185 0.483 1
1 771 . 13 1 1 A 60 60 PHE CB C 60 42.484 40.516 1.968 1
1 784 . 13 1 1 A 60 60 PHE C C 60 175.423 175.920 -0.497 1
1 785 . 13 1 1 A 61 61 VAL N N 61 111.060 117.182 -6.122 1
1 786 . 13 1 1 A 61 61 VAL H H 61 9.089 8.933 0.156 1
1 787 . 13 1 1 A 61 61 VAL CA C 61 58.189 58.159 0.030 1
1 788 . 13 1 1 A 61 61 VAL HA H 61 4.833 4.698 0.135 1
1 789 . 13 1 1 A 61 61 VAL CB C 61 33.744 34.782 -1.038 1
1 800 . 13 1 1 A 62 62 PRO CA C 62 61.852 62.084 -0.232 1
1 801 . 13 1 1 A 62 62 PRO HA H 62 3.572 4.519 -0.947 1
1 802 . 13 1 1 A 62 62 PRO CB C 62 29.704 30.891 -1.187 1
1 810 . 13 1 1 A 62 62 PRO C C 62 177.719 177.470 0.249 1
1 811 . 13 1 1 A 63 63 ALA N N 63 129.142 128.507 0.635 1
1 812 . 13 1 1 A 63 63 ALA H H 63 7.477 8.384 -0.907 1
1 813 . 13 1 1 A 63 63 ALA CA C 63 54.472 54.370 0.102 1
1 814 . 13 1 1 A 63 63 ALA HA H 63 2.655 3.686 -1.031 1
1 818 . 13 1 1 A 63 63 ALA CB C 63 15.740 16.768 -1.028 1
1 819 . 13 1 1 A 63 63 ALA C C 63 178.434 179.457 -1.023 1
1 820 . 13 1 1 A 64 64 ALA N N 64 113.410 119.157 -5.747 1
1 821 . 13 1 1 A 64 64 ALA H H 64 7.857 8.057 -0.200 1
1 822 . 13 1 1 A 64 64 ALA CA C 64 52.991 54.202 -1.211 1
1 823 . 13 1 1 A 64 64 ALA HA H 64 4.006 4.025 -0.019 1
1 827 . 13 1 1 A 64 64 ALA CB C 64 17.605 18.279 -0.674 1
1 828 . 13 1 1 A 64 64 ALA C C 64 178.109 178.226 -0.117 1
1 829 . 13 1 1 A 65 65 TYR N N 65 116.059 116.757 -0.698 1
1 830 . 13 1 1 A 65 65 TYR H H 65 7.705 7.970 -0.265 1
1 831 . 13 1 1 A 65 65 TYR CA C 65 56.477 58.284 -1.807 1
1 832 . 13 1 1 A 65 65 TYR HA H 65 4.758 4.734 0.024 1
1 833 . 13 1 1 A 65 65 TYR CB C 65 37.765 39.269 -1.504 1
1 844 . 13 1 1 A 65 65 TYR C C 65 174.361 175.661 -1.300 1
1 845 . 13 1 1 A 66 66 VAL N N 66 111.003 115.117 -4.114 1
1 846 . 13 1 1 A 66 66 VAL H H 66 7.422 7.525 -0.103 1
1 847 . 13 1 1 A 66 66 VAL CA C 66 58.268 59.002 -0.734 1
1 848 . 13 1 1 A 66 66 VAL HA H 66 5.547 5.045 0.502 1
1 849 . 13 1 1 A 66 66 VAL CB C 66 35.809 36.533 -0.724 1
1 859 . 13 1 1 A 66 66 VAL C C 66 173.538 174.603 -1.065 1
1 860 . 13 1 1 A 67 67 LYS N N 67 118.514 120.657 -2.143 1
1 861 . 13 1 1 A 67 67 LYS H H 67 8.636 8.858 -0.222 1
1 862 . 13 1 1 A 67 67 LYS CA C 67 53.828 54.330 -0.502 1
1 863 . 13 1 1 A 67 67 LYS HA H 67 4.840 4.936 -0.096 1
1 864 . 13 1 1 A 67 67 LYS CB C 67 36.636 37.019 -0.383 1
1 876 . 13 1 1 A 67 67 LYS C C 67 176.029 175.963 0.066 1
1 877 . 13 1 1 A 68 68 LYS N N 68 125.817 120.346 5.471 1
1 878 . 13 1 1 A 68 68 LYS H H 68 9.246 8.791 0.455 1
1 879 . 13 1 1 A 68 68 LYS CA C 68 58.514 56.324 2.190 1
1 880 . 13 1 1 A 68 68 LYS HA H 68 4.494 4.531 -0.037 1
1 881 . 13 1 1 A 68 68 LYS CB C 68 32.893 32.709 0.184 1
1 891 . 13 1 1 A 68 68 LYS C C 68 176.679 177.497 -0.818 1
1 892 . 13 1 1 A 69 69 LEU N N 69 125.294 127.643 -2.349 1
1 893 . 13 1 1 A 69 69 LEU H H 69 8.506 8.869 -0.363 1
1 894 . 13 1 1 A 69 69 LEU CA C 69 54.873 58.532 -3.659 1
1 895 . 13 1 1 A 69 69 LEU HA H 69 4.429 4.058 0.371 1
1 896 . 13 1 1 A 69 69 LEU CB C 69 42.631 41.190 1.441 1
1 909 . 13 1 1 A 69 69 LEU C C 69 176.203 178.278 -2.075 1
1 10 . 14 1 1 A 2 2 ASP N N 2 123.392 117.404 5.988 1
1 11 . 14 1 1 A 2 2 ASP H H 2 8.830 7.991 0.839 1
1 12 . 14 1 1 A 2 2 ASP CA C 2 54.029 53.205 0.824 1
1 13 . 14 1 1 A 2 2 ASP HA H 2 4.699 4.885 -0.186 1
1 14 . 14 1 1 A 2 2 ASP CB C 2 40.198 41.287 -1.089 1
1 17 . 14 1 1 A 2 2 ASP C C 2 175.639 176.229 -0.590 1
1 18 . 14 1 1 A 3 3 GLU N N 3 121.824 120.344 1.480 1
1 19 . 14 1 1 A 3 3 GLU H H 3 8.663 8.041 0.622 1
1 20 . 14 1 1 A 3 3 GLU CA C 3 56.162 55.836 0.326 1
1 21 . 14 1 1 A 3 3 GLU HA H 3 4.406 4.519 -0.113 1
1 22 . 14 1 1 A 3 3 GLU CB C 3 28.702 29.921 -1.219 1
1 28 . 14 1 1 A 3 3 GLU C C 3 176.354 176.791 -0.437 1
1 29 . 14 1 1 A 4 4 THR N N 4 114.607 111.456 3.151 1
1 30 . 14 1 1 A 4 4 THR H H 4 8.285 7.736 0.549 1
1 31 . 14 1 1 A 4 4 THR CA C 4 62.425 61.042 1.383 1
1 32 . 14 1 1 A 4 4 THR HA H 4 4.267 4.638 -0.371 1
1 33 . 14 1 1 A 4 4 THR CB C 4 69.672 69.599 0.073 1
1 39 . 14 1 1 A 4 4 THR C C 4 175.271 175.505 -0.234 1
1 40 . 14 1 1 A 5 5 GLY N N 5 111.345 110.375 0.970 1
1 41 . 14 1 1 A 5 5 GLY H H 5 8.436 7.922 0.514 1
1 42 . 14 1 1 A 5 5 GLY CA C 5 45.297 45.522 -0.225 1
1 43 . 14 1 1 A 5 5 GLY HA2 H 5 3.942 4.087 -0.145 1
1 44 . 14 1 1 A 5 5 GLY HA3 H 5 3.942 4.088 -0.146 1
1 45 . 14 1 1 A 5 5 GLY C C 5 173.668 175.141 -1.473 1
1 46 . 14 1 1 A 6 6 LYS N N 6 119.783 119.106 0.677 1
1 47 . 14 1 1 A 6 6 LYS H H 6 8.017 7.646 0.371 1
1 48 . 14 1 1 A 6 6 LYS CA C 6 55.538 58.628 -3.090 1
1 49 . 14 1 1 A 6 6 LYS HA H 6 4.387 4.161 0.226 1
1 50 . 14 1 1 A 6 6 LYS CB C 6 33.257 33.288 -0.031 1
1 62 . 14 1 1 A 6 6 LYS C C 6 176.029 176.662 -0.633 1
1 63 . 14 1 1 A 7 7 GLU N N 7 122.414 117.384 5.030 1
1 64 . 14 1 1 A 7 7 GLU H H 7 8.584 7.973 0.611 1
1 65 . 14 1 1 A 7 7 GLU CA C 7 55.404 55.269 0.135 1
1 66 . 14 1 1 A 7 7 GLU HA H 7 4.495 4.623 -0.128 1
1 67 . 14 1 1 A 7 7 GLU CB C 7 30.382 30.510 -0.128 1
1 73 . 14 1 1 A 7 7 GLU C C 7 174.014 174.825 -0.811 1
1 74 . 14 1 1 A 8 8 LEU N N 8 122.989 126.023 -3.034 1
1 75 . 14 1 1 A 8 8 LEU H H 8 8.414 8.794 -0.380 1
1 76 . 14 1 1 A 8 8 LEU CA C 8 53.188 53.637 -0.449 1
1 77 . 14 1 1 A 8 8 LEU HA H 8 5.381 5.120 0.261 1
1 78 . 14 1 1 A 8 8 LEU CB C 8 45.173 43.652 1.521 1
1 90 . 14 1 1 A 8 8 LEU C C 8 177.329 176.402 0.927 1
1 91 . 14 1 1 A 9 9 VAL N N 9 111.709 118.022 -6.313 1
1 92 . 14 1 1 A 9 9 VAL H H 9 9.125 9.110 0.015 1
1 93 . 14 1 1 A 9 9 VAL CA C 9 57.854 59.315 -1.461 1
1 94 . 14 1 1 A 9 9 VAL HA H 9 5.232 4.930 0.302 1
1 95 . 14 1 1 A 9 9 VAL CB C 9 35.864 35.482 0.382 1
1 105 . 14 1 1 A 9 9 VAL C C 9 172.368 173.868 -1.500 1
1 106 . 14 1 1 A 10 10 LEU N N 10 123.520 127.137 -3.617 1
1 107 . 14 1 1 A 10 10 LEU H H 10 8.989 9.042 -0.053 1
1 108 . 14 1 1 A 10 10 LEU CA C 10 52.445 53.313 -0.868 1
1 109 . 14 1 1 A 10 10 LEU HA H 10 5.113 5.356 -0.243 1
1 110 . 14 1 1 A 10 10 LEU CB C 10 46.776 45.008 1.768 1
1 123 . 14 1 1 A 10 10 LEU C C 10 176.549 175.214 1.335 1
1 124 . 14 1 1 A 11 11 ALA N N 11 127.272 128.066 -0.794 1
1 125 . 14 1 1 A 11 11 ALA H H 11 9.163 9.009 0.154 1
1 126 . 14 1 1 A 11 11 ALA CA C 11 52.416 51.322 1.094 1
1 127 . 14 1 1 A 11 11 ALA HA H 11 4.602 4.616 -0.014 1
1 131 . 14 1 1 A 11 11 ALA CB C 11 19.274 19.603 -0.329 1
1 132 . 14 1 1 A 11 11 ALA C C 11 178.282 176.731 1.551 1
1 133 . 14 1 1 A 12 12 LEU N N 12 127.769 124.702 3.067 1
1 134 . 14 1 1 A 12 12 LEU H H 12 9.257 9.314 -0.057 1
1 135 . 14 1 1 A 12 12 LEU CA C 12 55.442 55.513 -0.071 1
1 136 . 14 1 1 A 12 12 LEU HA H 12 3.898 4.428 -0.530 1
1 137 . 14 1 1 A 12 12 LEU CB C 12 43.110 42.975 0.135 1
1 150 . 14 1 1 A 12 12 LEU C C 12 174.946 176.475 -1.529 1
1 151 . 14 1 1 A 13 13 TYR N N 13 111.673 116.910 -5.237 1
1 152 . 14 1 1 A 13 13 TYR H H 13 7.129 8.068 -0.939 1
1 153 . 14 1 1 A 13 13 TYR CA C 13 54.720 56.569 -1.849 1
1 154 . 14 1 1 A 13 13 TYR HA H 13 4.633 5.214 -0.581 1
1 155 . 14 1 1 A 13 13 TYR CB C 13 43.043 42.557 0.486 1
1 166 . 14 1 1 A 13 13 TYR C C 13 173.668 175.236 -1.568 1
1 167 . 14 1 1 A 14 14 ASP N N 14 117.814 121.736 -3.922 1
1 168 . 14 1 1 A 14 14 ASP H H 14 8.347 8.912 -0.565 1
1 169 . 14 1 1 A 14 14 ASP CA C 14 54.571 53.701 0.870 1
1 170 . 14 1 1 A 14 14 ASP HA H 14 4.633 5.193 -0.560 1
1 171 . 14 1 1 A 14 14 ASP CB C 14 41.136 42.033 -0.897 1
1 174 . 14 1 1 A 14 14 ASP C C 14 176.051 175.254 0.797 1
1 175 . 14 1 1 A 15 15 TYR N N 15 120.213 123.385 -3.172 1
1 176 . 14 1 1 A 15 15 TYR H H 15 8.748 9.186 -0.438 1
1 177 . 14 1 1 A 15 15 TYR CA C 15 59.454 57.295 2.159 1
1 178 . 14 1 1 A 15 15 TYR HA H 15 4.654 5.312 -0.658 1
1 179 . 14 1 1 A 15 15 TYR CB C 15 43.400 42.434 0.966 1
1 190 . 14 1 1 A 15 15 TYR C C 15 172.758 173.729 -0.971 1
1 191 . 14 1 1 A 16 16 GLN N N 16 126.986 121.658 5.328 1
1 192 . 14 1 1 A 16 16 GLN H H 16 7.558 7.644 -0.086 1
1 193 . 14 1 1 A 16 16 GLN CA C 16 53.534 53.706 -0.172 1
1 194 . 14 1 1 A 16 16 GLN HA H 16 4.500 4.923 -0.423 1
1 195 . 14 1 1 A 16 16 GLN CB C 16 29.071 32.544 -3.473 1
1 204 . 14 1 1 A 16 16 GLN C C 16 173.863 173.757 0.106 1
1 205 . 14 1 1 A 17 17 GLU N N 17 123.063 120.682 2.381 1
1 206 . 14 1 1 A 17 17 GLU H H 17 7.979 8.518 -0.539 1
1 207 . 14 1 1 A 17 17 GLU CA C 17 55.935 55.722 0.213 1
1 208 . 14 1 1 A 17 17 GLU HA H 17 4.182 4.677 -0.495 1
1 209 . 14 1 1 A 17 17 GLU CB C 17 28.948 30.406 -1.458 1
1 215 . 14 1 1 A 17 17 GLU C C 17 175.899 176.845 -0.946 1
1 216 . 14 1 1 A 18 18 LYS N N 18 120.853 120.493 0.360 1
1 217 . 14 1 1 A 18 18 LYS H H 18 8.771 8.833 -0.062 1
1 218 . 14 1 1 A 18 18 LYS CA C 18 55.393 56.560 -1.167 1
1 219 . 14 1 1 A 18 18 LYS HA H 18 4.390 4.550 -0.160 1
1 220 . 14 1 1 A 18 18 LYS CB C 18 33.393 33.961 -0.568 1
1 232 . 14 1 1 A 18 18 LYS C C 18 176.138 176.096 0.042 1
1 233 . 14 1 1 A 19 19 SER N N 19 115.089 115.315 -0.226 1
1 234 . 14 1 1 A 19 19 SER H H 19 7.658 8.053 -0.395 1
1 235 . 14 1 1 A 19 19 SER CA C 19 56.821 55.916 0.905 1
1 236 . 14 1 1 A 19 19 SER HA H 19 4.863 4.873 -0.010 1
1 237 . 14 1 1 A 19 19 SER CB C 19 64.208 64.886 -0.678 1
1 241 . 14 1 1 A 20 20 PRO CA C 20 64.803 64.334 0.469 1
1 242 . 14 1 1 A 20 20 PRO HA H 20 4.521 4.519 0.002 1
1 243 . 14 1 1 A 20 20 PRO CB C 20 31.657 31.742 -0.085 1
1 251 . 14 1 1 A 20 20 PRO C C 20 176.657 177.023 -0.366 1
1 252 . 14 1 1 A 21 21 ARG N N 21 113.827 115.798 -1.971 1
1 253 . 14 1 1 A 21 21 ARG H H 21 7.694 8.364 -0.670 1
1 254 . 14 1 1 A 21 21 ARG CA C 21 56.119 57.559 -1.440 1
1 255 . 14 1 1 A 21 21 ARG HA H 21 4.593 4.366 0.227 1
1 256 . 14 1 1 A 21 21 ARG CB C 21 30.299 31.171 -0.872 1
1 265 . 14 1 1 A 21 21 ARG C C 21 173.386 176.876 -3.490 1
1 266 . 14 1 1 A 22 22 GLU N N 22 121.389 120.455 0.934 1
1 267 . 14 1 1 A 22 22 GLU H H 22 7.850 8.084 -0.234 1
1 268 . 14 1 1 A 22 22 GLU CA C 22 54.951 55.745 -0.794 1
1 269 . 14 1 1 A 22 22 GLU HA H 22 5.487 4.726 0.761 1
1 270 . 14 1 1 A 22 22 GLU CB C 22 33.588 31.804 1.784 1
1 276 . 14 1 1 A 22 22 GLU C C 22 174.491 175.731 -1.240 1
1 277 . 14 1 1 A 23 23 VAL N N 23 113.069 117.443 -4.374 1
1 278 . 14 1 1 A 23 23 VAL H H 23 7.410 8.811 -1.401 1
1 279 . 14 1 1 A 23 23 VAL CA C 23 59.793 59.269 0.524 1
1 280 . 14 1 1 A 23 23 VAL HA H 23 4.531 4.944 -0.413 1
1 281 . 14 1 1 A 23 23 VAL CB C 23 34.667 35.876 -1.209 1
1 291 . 14 1 1 A 23 23 VAL C C 23 172.541 174.078 -1.537 1
1 292 . 14 1 1 A 24 24 THR N N 24 118.283 118.811 -0.528 1
1 293 . 14 1 1 A 24 24 THR H H 24 7.362 8.546 -1.184 1
1 294 . 14 1 1 A 24 24 THR CA C 24 61.708 62.183 -0.475 1
1 295 . 14 1 1 A 24 24 THR HA H 24 5.085 5.049 0.036 1
1 296 . 14 1 1 A 24 24 THR CB C 24 70.934 70.023 0.911 1
1 302 . 14 1 1 A 24 24 THR C C 24 174.274 174.322 -0.048 1
1 303 . 14 1 1 A 25 25 MET N N 25 121.971 124.241 -2.270 1
1 304 . 14 1 1 A 25 25 MET H H 25 9.523 9.375 0.148 1
1 305 . 14 1 1 A 25 25 MET CA C 25 54.328 53.387 0.941 1
1 306 . 14 1 1 A 25 25 MET HA H 25 4.929 5.567 -0.638 1
1 307 . 14 1 1 A 25 25 MET CB C 25 36.287 35.824 0.463 1
1 317 . 14 1 1 A 25 25 MET C C 25 173.841 174.262 -0.421 1
1 318 . 14 1 1 A 26 26 LYS N N 26 124.399 120.707 3.692 1
1 319 . 14 1 1 A 26 26 LYS H H 26 8.820 8.954 -0.134 1
1 320 . 14 1 1 A 26 26 LYS CA C 26 53.699 54.338 -0.639 1
1 321 . 14 1 1 A 26 26 LYS HA H 26 4.879 5.126 -0.247 1
1 322 . 14 1 1 A 26 26 LYS CB C 26 34.097 36.266 -2.169 1
1 332 . 14 1 1 A 26 26 LYS C C 26 174.968 175.174 -0.206 1
1 333 . 14 1 1 A 27 27 LYS N N 27 122.619 124.999 -2.380 1
1 334 . 14 1 1 A 27 27 LYS H H 27 9.013 8.766 0.247 1
1 335 . 14 1 1 A 27 27 LYS CA C 27 58.078 58.897 -0.819 1
1 336 . 14 1 1 A 27 27 LYS HA H 27 4.837 4.082 0.755 1
1 337 . 14 1 1 A 27 27 LYS CB C 27 32.269 32.269 0.000 1
1 349 . 14 1 1 A 27 27 LYS C C 27 177.307 177.402 -0.095 1
1 350 . 14 1 1 A 28 28 GLY N N 28 115.785 112.524 3.261 1
1 351 . 14 1 1 A 28 28 GLY H H 28 8.902 9.056 -0.154 1
1 352 . 14 1 1 A 28 28 GLY CA C 28 44.564 44.982 -0.418 1
1 353 . 14 1 1 A 28 28 GLY HA2 H 28 3.538 4.021 -0.483 1
1 354 . 14 1 1 A 28 28 GLY HA3 H 28 4.481 4.023 0.458 1
1 355 . 14 1 1 A 28 28 GLY C C 28 174.014 174.146 -0.132 1
1 356 . 14 1 1 A 29 29 ASP N N 29 122.243 121.725 0.518 1
1 357 . 14 1 1 A 29 29 ASP H H 29 8.511 8.460 0.051 1
1 358 . 14 1 1 A 29 29 ASP CA C 29 55.353 54.140 1.213 1
1 359 . 14 1 1 A 29 29 ASP HA H 29 4.523 4.690 -0.167 1
1 360 . 14 1 1 A 29 29 ASP CB C 29 41.146 42.428 -1.282 1
1 363 . 14 1 1 A 29 29 ASP C C 29 174.274 175.694 -1.420 1
1 364 . 14 1 1 A 30 30 ILE N N 30 120.587 124.666 -4.079 1
1 365 . 14 1 1 A 30 30 ILE H H 30 8.227 8.585 -0.358 1
1 366 . 14 1 1 A 30 30 ILE CA C 30 60.366 60.420 -0.054 1
1 367 . 14 1 1 A 30 30 ILE HA H 30 5.036 5.263 -0.227 1
1 368 . 14 1 1 A 30 30 ILE CB C 30 38.210 41.215 -3.005 1
1 381 . 14 1 1 A 30 30 ILE C C 30 176.246 174.576 1.670 1
1 382 . 14 1 1 A 31 31 LEU N N 31 128.265 127.366 0.899 1
1 383 . 14 1 1 A 31 31 LEU H H 31 9.353 9.103 0.250 1
1 384 . 14 1 1 A 31 31 LEU CA C 31 53.414 53.185 0.229 1
1 385 . 14 1 1 A 31 31 LEU HA H 31 5.010 5.008 0.002 1
1 386 . 14 1 1 A 31 31 LEU CB C 31 43.893 45.055 -1.162 1
1 397 . 14 1 1 A 31 31 LEU C C 31 175.596 175.589 0.007 1
1 398 . 14 1 1 A 32 32 THR N N 32 117.027 118.053 -1.026 1
1 399 . 14 1 1 A 32 32 THR H H 32 8.146 8.487 -0.341 1
1 400 . 14 1 1 A 32 32 THR CA C 32 63.046 62.114 0.932 1
1 401 . 14 1 1 A 32 32 THR HA H 32 4.629 4.763 -0.134 1
1 402 . 14 1 1 A 32 32 THR CB C 32 69.576 69.219 0.357 1
1 408 . 14 1 1 A 32 32 THR C C 32 173.559 174.502 -0.943 1
1 409 . 14 1 1 A 33 33 LEU N N 33 129.212 129.079 0.133 1
1 410 . 14 1 1 A 33 33 LEU H H 33 9.070 8.479 0.591 1
1 411 . 14 1 1 A 33 33 LEU CA C 33 54.894 55.733 -0.839 1
1 412 . 14 1 1 A 33 33 LEU HA H 33 4.351 4.384 -0.033 1
1 413 . 14 1 1 A 33 33 LEU CB C 33 43.191 42.269 0.922 1
1 426 . 14 1 1 A 33 33 LEU C C 33 174.513 176.380 -1.867 1
1 427 . 14 1 1 A 34 34 LEU N N 34 125.818 129.445 -3.627 1
1 428 . 14 1 1 A 34 34 LEU H H 34 9.060 8.640 0.420 1
1 429 . 14 1 1 A 34 34 LEU CA C 34 54.885 56.139 -1.254 1
1 430 . 14 1 1 A 34 34 LEU HA H 34 4.523 4.341 0.182 1
1 431 . 14 1 1 A 34 34 LEU CB C 34 42.990 42.969 0.021 1
1 443 . 14 1 1 A 34 34 LEU C C 34 177.502 175.954 1.548 1
1 444 . 14 1 1 A 35 35 ASN N N 35 114.008 117.383 -3.375 1
1 445 . 14 1 1 A 35 35 ASN H H 35 7.617 7.833 -0.216 1
1 446 . 14 1 1 A 35 35 ASN CA C 35 54.502 51.933 2.569 1
1 447 . 14 1 1 A 35 35 ASN HA H 35 4.736 5.081 -0.345 1
1 448 . 14 1 1 A 35 35 ASN CB C 35 40.933 41.260 -0.327 1
1 454 . 14 1 1 A 35 35 ASN C C 35 174.318 174.652 -0.334 1
1 455 . 14 1 1 A 36 36 SER N N 36 123.608 117.926 5.682 1
1 456 . 14 1 1 A 36 36 SER H H 36 9.172 8.328 0.844 1
1 457 . 14 1 1 A 36 36 SER CA C 36 56.915 56.852 0.063 1
1 458 . 14 1 1 A 36 36 SER HA H 36 3.940 4.474 -0.534 1
1 459 . 14 1 1 A 36 36 SER CB C 36 62.042 62.839 -0.797 1
1 462 . 14 1 1 A 36 36 SER C C 36 173.364 175.209 -1.845 1
1 463 . 14 1 1 A 37 37 THR N N 37 115.130 115.871 -0.741 1
1 464 . 14 1 1 A 37 37 THR H H 37 8.184 7.689 0.495 1
1 465 . 14 1 1 A 37 37 THR CA C 37 65.381 65.487 -0.106 1
1 466 . 14 1 1 A 37 37 THR HA H 37 3.980 3.975 0.005 1
1 467 . 14 1 1 A 37 37 THR CB C 37 69.489 69.230 0.259 1
1 473 . 14 1 1 A 37 37 THR C C 37 175.249 174.547 0.702 1
1 474 . 14 1 1 A 38 38 ASN N N 38 122.469 118.000 4.469 1
1 475 . 14 1 1 A 38 38 ASN H H 38 8.681 8.378 0.303 1
1 476 . 14 1 1 A 38 38 ASN CA C 38 53.337 52.447 0.890 1
1 477 . 14 1 1 A 38 38 ASN HA H 38 4.867 4.989 -0.122 1
1 478 . 14 1 1 A 38 38 ASN CB C 38 40.376 40.284 0.092 1
1 484 . 14 1 1 A 38 38 ASN C C 38 174.599 175.490 -0.891 1
1 485 . 14 1 1 A 39 39 LYS N N 39 120.915 119.740 1.175 1
1 486 . 14 1 1 A 39 39 LYS H H 39 8.516 8.557 -0.041 1
1 487 . 14 1 1 A 39 39 LYS CA C 39 58.333 57.052 1.281 1
1 488 . 14 1 1 A 39 39 LYS HA H 39 4.247 4.782 -0.535 1
1 489 . 14 1 1 A 39 39 LYS CB C 39 32.371 34.254 -1.883 1
1 499 . 14 1 1 A 39 39 LYS C C 39 176.268 177.787 -1.519 1
1 500 . 14 1 1 A 40 40 ASP N N 40 114.512 117.524 -3.012 1
1 501 . 14 1 1 A 40 40 ASP H H 40 8.210 7.868 0.342 1
1 502 . 14 1 1 A 40 40 ASP CA C 40 55.083 55.743 -0.660 1
1 503 . 14 1 1 A 40 40 ASP HA H 40 4.544 4.380 0.164 1
1 504 . 14 1 1 A 40 40 ASP CB C 40 43.014 41.863 1.151 1
1 507 . 14 1 1 A 40 40 ASP C C 40 176.852 175.821 1.031 1
1 508 . 14 1 1 A 41 41 TRP N N 41 122.703 116.428 6.275 1
1 509 . 14 1 1 A 41 41 TRP H H 41 8.212 8.099 0.113 1
1 510 . 14 1 1 A 41 41 TRP CA C 41 56.005 56.090 -0.085 1
1 511 . 14 1 1 A 41 41 TRP HA H 41 5.078 5.114 -0.036 1
1 512 . 14 1 1 A 41 41 TRP CB C 41 32.019 30.096 1.923 1
1 527 . 14 1 1 A 41 41 TRP C C 41 174.166 175.891 -1.725 1
1 528 . 14 1 1 A 42 42 TRP N N 42 124.905 124.622 0.283 1
1 529 . 14 1 1 A 42 42 TRP H H 42 9.380 9.430 -0.050 1
1 530 . 14 1 1 A 42 42 TRP CA C 42 53.861 55.715 -1.854 1
1 531 . 14 1 1 A 42 42 TRP HA H 42 5.523 5.228 0.295 1
1 532 . 14 1 1 A 42 42 TRP CB C 42 31.543 31.268 0.275 1
1 547 . 14 1 1 A 42 42 TRP C C 42 174.144 176.005 -1.861 1
1 548 . 14 1 1 A 43 43 LYS N N 43 124.120 123.098 1.022 1
1 549 . 14 1 1 A 43 43 LYS H H 43 8.896 9.206 -0.310 1
1 550 . 14 1 1 A 43 43 LYS CA C 43 55.231 55.690 -0.459 1
1 551 . 14 1 1 A 43 43 LYS HA H 43 4.396 4.987 -0.591 1
1 552 . 14 1 1 A 43 43 LYS CB C 43 34.366 34.004 0.362 1
1 564 . 14 1 1 A 43 43 LYS C C 43 175.423 176.175 -0.752 1
1 565 . 14 1 1 A 44 44 VAL N N 44 121.984 117.749 4.235 1
1 566 . 14 1 1 A 44 44 VAL H H 44 9.430 8.932 0.498 1
1 567 . 14 1 1 A 44 44 VAL CA C 44 58.751 58.851 -0.100 1
1 568 . 14 1 1 A 44 44 VAL HA H 44 5.375 5.044 0.331 1
1 569 . 14 1 1 A 44 44 VAL CB C 44 36.378 35.894 0.484 1
1 579 . 14 1 1 A 44 44 VAL C C 44 173.234 173.627 -0.393 1
1 580 . 14 1 1 A 45 45 GLU N N 45 118.425 122.583 -4.158 1
1 581 . 14 1 1 A 45 45 GLU H H 45 8.757 9.288 -0.531 1
1 582 . 14 1 1 A 45 45 GLU CA C 45 54.139 55.140 -1.001 1
1 583 . 14 1 1 A 45 45 GLU HA H 45 5.423 5.358 0.065 1
1 584 . 14 1 1 A 45 45 GLU CB C 45 32.891 31.910 0.981 1
1 590 . 14 1 1 A 45 45 GLU C C 45 174.621 175.837 -1.216 1
1 591 . 14 1 1 A 46 46 VAL N N 46 123.694 121.216 2.478 1
1 592 . 14 1 1 A 46 46 VAL H H 46 9.089 9.110 -0.021 1
1 593 . 14 1 1 A 46 46 VAL CA C 46 59.627 58.964 0.663 1
1 594 . 14 1 1 A 46 46 VAL HA H 46 4.669 4.930 -0.261 1
1 595 . 14 1 1 A 46 46 VAL CB C 46 35.290 35.075 0.215 1
1 604 . 14 1 1 A 46 46 VAL C C 46 173.234 173.910 -0.676 1
1 605 . 14 1 1 A 47 47 LYS N N 47 124.893 122.918 1.975 1
1 606 . 14 1 1 A 47 47 LYS H H 47 8.455 8.774 -0.319 1
1 607 . 14 1 1 A 47 47 LYS CA C 47 55.404 55.178 0.226 1
1 608 . 14 1 1 A 47 47 LYS HA H 47 5.022 5.184 -0.162 1
1 609 . 14 1 1 A 47 47 LYS CB C 47 33.959 34.075 -0.116 1
1 619 . 14 1 1 A 47 47 LYS C C 47 175.899 175.420 0.479 1
1 620 . 14 1 1 A 48 48 ILE N N 48 124.447 128.501 -4.054 1
1 621 . 14 1 1 A 48 48 ILE H H 48 8.989 9.268 -0.279 1
1 622 . 14 1 1 A 48 48 ILE CA C 48 59.646 60.069 -0.423 1
1 623 . 14 1 1 A 48 48 ILE HA H 48 4.529 4.786 -0.257 1
1 624 . 14 1 1 A 48 48 ILE CB C 48 41.170 40.434 0.736 1
1 637 . 14 1 1 A 48 48 ILE C C 48 174.144 174.881 -0.737 1
1 638 . 14 1 1 A 49 49 THR N N 49 121.012 123.784 -2.772 1
1 639 . 14 1 1 A 49 49 THR H H 49 8.570 8.823 -0.253 1
1 640 . 14 1 1 A 49 49 THR CA C 49 61.301 61.983 -0.682 1
1 641 . 14 1 1 A 49 49 THR HA H 49 5.272 5.104 0.168 1
1 642 . 14 1 1 A 49 49 THR CB C 49 69.853 69.559 0.294 1
1 648 . 14 1 1 A 49 49 THR C C 49 174.318 173.730 0.588 1
1 649 . 14 1 1 A 50 50 VAL N N 50 126.754 126.710 0.044 1
1 650 . 14 1 1 A 50 50 VAL H H 50 9.104 8.741 0.363 1
1 651 . 14 1 1 A 50 50 VAL CA C 50 61.070 60.898 0.172 1
1 652 . 14 1 1 A 50 50 VAL HA H 50 4.292 4.313 -0.021 1
1 653 . 14 1 1 A 50 50 VAL CB C 50 34.452 33.367 1.085 1
1 663 . 14 1 1 A 50 50 VAL C C 50 175.899 176.061 -0.162 1
1 664 . 14 1 1 A 51 51 ASN N N 51 127.590 126.517 1.073 1
1 665 . 14 1 1 A 51 51 ASN H H 51 9.619 9.344 0.275 1
1 666 . 14 1 1 A 51 51 ASN CA C 51 54.177 54.303 -0.126 1
1 667 . 14 1 1 A 51 51 ASN HA H 51 4.390 4.349 0.041 1
1 668 . 14 1 1 A 51 51 ASN CB C 51 37.413 37.667 -0.254 1
1 671 . 14 1 1 A 51 51 ASN C C 51 175.249 174.386 0.863 1
1 672 . 14 1 1 A 52 52 GLY N N 52 102.845 104.362 -1.517 1
1 673 . 14 1 1 A 52 52 GLY H H 52 8.535 8.551 -0.016 1
1 674 . 14 1 1 A 52 52 GLY CA C 52 45.443 45.395 0.048 1
1 675 . 14 1 1 A 52 52 GLY HA2 H 52 3.555 3.880 -0.325 1
1 676 . 14 1 1 A 52 52 GLY HA3 H 52 4.120 3.883 0.237 1
1 677 . 14 1 1 A 52 52 GLY C C 52 176.398 173.876 2.522 1
1 678 . 14 1 1 A 53 53 LYS N N 53 121.989 120.232 1.757 1
1 679 . 14 1 1 A 53 53 LYS H H 53 7.849 7.973 -0.124 1
1 680 . 14 1 1 A 53 53 LYS CA C 53 54.807 54.966 -0.159 1
1 681 . 14 1 1 A 53 53 LYS HA H 53 4.641 4.593 0.048 1
1 682 . 14 1 1 A 53 53 LYS CB C 53 34.440 33.828 0.612 1
1 694 . 14 1 1 A 53 53 LYS C C 53 174.513 175.524 -1.011 1
1 695 . 14 1 1 A 54 54 THR N N 54 118.860 118.329 0.531 1
1 696 . 14 1 1 A 54 54 THR H H 54 8.445 8.667 -0.222 1
1 697 . 14 1 1 A 54 54 THR CA C 54 62.074 62.381 -0.307 1
1 698 . 14 1 1 A 54 54 THR HA H 54 5.167 4.697 0.470 1
1 699 . 14 1 1 A 54 54 THR CB C 54 70.071 69.253 0.818 1
1 705 . 14 1 1 A 54 54 THR C C 54 173.689 173.831 -0.142 1
1 706 . 14 1 1 A 55 55 TYR N N 55 125.966 126.461 -0.495 1
1 707 . 14 1 1 A 55 55 TYR H H 55 9.319 9.619 -0.300 1
1 708 . 14 1 1 A 55 55 TYR CA C 55 56.507 56.310 0.197 1
1 709 . 14 1 1 A 55 55 TYR HA H 55 4.767 5.250 -0.483 1
1 710 . 14 1 1 A 55 55 TYR CB C 55 40.591 42.091 -1.500 1
1 721 . 14 1 1 A 55 55 TYR C C 55 173.538 175.043 -1.505 1
1 722 . 14 1 1 A 56 56 GLU N N 56 119.827 120.377 -0.550 1
1 723 . 14 1 1 A 56 56 GLU H H 56 8.568 8.837 -0.269 1
1 724 . 14 1 1 A 56 56 GLU CA C 56 54.503 55.264 -0.761 1
1 725 . 14 1 1 A 56 56 GLU HA H 56 5.247 5.407 -0.160 1
1 726 . 14 1 1 A 56 56 GLU CB C 56 30.297 33.012 -2.715 1
1 732 . 14 1 1 A 56 56 GLU C C 56 175.726 174.796 0.930 1
1 733 . 14 1 1 A 57 57 ARG N N 57 123.399 122.617 0.782 1
1 734 . 14 1 1 A 57 57 ARG H H 57 8.971 8.728 0.243 1
1 735 . 14 1 1 A 57 57 ARG CA C 57 54.944 54.354 0.590 1
1 736 . 14 1 1 A 57 57 ARG HA H 57 4.710 5.006 -0.296 1
1 737 . 14 1 1 A 57 57 ARG CB C 57 33.362 33.889 -0.527 1
1 746 . 14 1 1 A 57 57 ARG C C 57 174.166 174.877 -0.711 1
1 747 . 14 1 1 A 58 58 GLN N N 58 120.188 120.020 0.168 1
1 748 . 14 1 1 A 58 58 GLN H H 58 8.634 8.466 0.168 1
1 749 . 14 1 1 A 58 58 GLN CA C 58 53.251 55.126 -1.875 1
1 750 . 14 1 1 A 58 58 GLN HA H 58 5.602 5.071 0.531 1
1 751 . 14 1 1 A 58 58 GLN CB C 58 31.229 29.827 1.402 1
1 760 . 14 1 1 A 58 58 GLN C C 58 175.726 175.189 0.537 1
1 761 . 14 1 1 A 59 59 GLY N N 59 107.196 108.829 -1.633 1
1 762 . 14 1 1 A 59 59 GLY H H 59 8.644 9.015 -0.371 1
1 763 . 14 1 1 A 59 59 GLY CA C 59 45.583 44.154 1.429 1
1 764 . 14 1 1 A 59 59 GLY HA2 H 59 3.947 4.128 -0.181 1
1 765 . 14 1 1 A 59 59 GLY HA3 H 59 3.947 4.343 -0.396 1
1 766 . 14 1 1 A 59 59 GLY C C 59 170.223 171.637 -1.414 1
1 767 . 14 1 1 A 60 60 PHE N N 60 119.079 119.585 -0.506 1
1 768 . 14 1 1 A 60 60 PHE H H 60 9.178 8.611 0.567 1
1 769 . 14 1 1 A 60 60 PHE CA C 60 58.544 58.083 0.461 1
1 770 . 14 1 1 A 60 60 PHE HA H 60 5.668 5.037 0.631 1
1 771 . 14 1 1 A 60 60 PHE CB C 60 42.484 40.823 1.661 1
1 784 . 14 1 1 A 60 60 PHE C C 60 175.423 175.794 -0.371 1
1 785 . 14 1 1 A 61 61 VAL N N 61 111.060 117.050 -5.990 1
1 786 . 14 1 1 A 61 61 VAL H H 61 9.089 9.027 0.062 1
1 787 . 14 1 1 A 61 61 VAL CA C 61 58.189 58.498 -0.309 1
1 788 . 14 1 1 A 61 61 VAL HA H 61 4.833 4.864 -0.031 1
1 789 . 14 1 1 A 61 61 VAL CB C 61 33.744 35.129 -1.385 1
1 800 . 14 1 1 A 62 62 PRO CA C 62 61.852 62.195 -0.343 1
1 801 . 14 1 1 A 62 62 PRO HA H 62 3.572 4.323 -0.751 1
1 802 . 14 1 1 A 62 62 PRO CB C 62 29.704 30.962 -1.258 1
1 810 . 14 1 1 A 62 62 PRO C C 62 177.719 177.559 0.160 1
1 811 . 14 1 1 A 63 63 ALA N N 63 129.142 128.482 0.660 1
1 812 . 14 1 1 A 63 63 ALA H H 63 7.477 8.466 -0.989 1
1 813 . 14 1 1 A 63 63 ALA CA C 63 54.472 54.487 -0.015 1
1 814 . 14 1 1 A 63 63 ALA HA H 63 2.655 3.736 -1.081 1
1 818 . 14 1 1 A 63 63 ALA CB C 63 15.740 17.009 -1.269 1
1 819 . 14 1 1 A 63 63 ALA C C 63 178.434 179.551 -1.117 1
1 820 . 14 1 1 A 64 64 ALA N N 64 113.410 119.402 -5.992 1
1 821 . 14 1 1 A 64 64 ALA H H 64 7.857 8.124 -0.267 1
1 822 . 14 1 1 A 64 64 ALA CA C 64 52.991 54.162 -1.171 1
1 823 . 14 1 1 A 64 64 ALA HA H 64 4.006 3.978 0.028 1
1 827 . 14 1 1 A 64 64 ALA CB C 64 17.605 18.210 -0.605 1
1 828 . 14 1 1 A 64 64 ALA C C 64 178.109 178.038 0.071 1
1 829 . 14 1 1 A 65 65 TYR N N 65 116.059 116.612 -0.553 1
1 830 . 14 1 1 A 65 65 TYR H H 65 7.705 7.919 -0.214 1
1 831 . 14 1 1 A 65 65 TYR CA C 65 56.477 58.255 -1.778 1
1 832 . 14 1 1 A 65 65 TYR HA H 65 4.758 4.586 0.172 1
1 833 . 14 1 1 A 65 65 TYR CB C 65 37.765 39.221 -1.456 1
1 844 . 14 1 1 A 65 65 TYR C C 65 174.361 175.536 -1.175 1
1 845 . 14 1 1 A 66 66 VAL N N 66 111.003 115.174 -4.171 1
1 846 . 14 1 1 A 66 66 VAL H H 66 7.422 7.632 -0.210 1
1 847 . 14 1 1 A 66 66 VAL CA C 66 58.268 59.117 -0.849 1
1 848 . 14 1 1 A 66 66 VAL HA H 66 5.547 5.050 0.497 1
1 849 . 14 1 1 A 66 66 VAL CB C 66 35.809 36.800 -0.991 1
1 859 . 14 1 1 A 66 66 VAL C C 66 173.538 173.713 -0.175 1
1 860 . 14 1 1 A 67 67 LYS N N 67 118.514 118.833 -0.319 1
1 861 . 14 1 1 A 67 67 LYS H H 67 8.636 8.957 -0.321 1
1 862 . 14 1 1 A 67 67 LYS CA C 67 53.828 54.643 -0.815 1
1 863 . 14 1 1 A 67 67 LYS HA H 67 4.840 5.012 -0.172 1
1 864 . 14 1 1 A 67 67 LYS CB C 67 36.636 35.240 1.396 1
1 876 . 14 1 1 A 67 67 LYS C C 67 176.029 175.494 0.535 1
1 877 . 14 1 1 A 68 68 LYS N N 68 125.817 121.055 4.762 1
1 878 . 14 1 1 A 68 68 LYS H H 68 9.246 8.861 0.385 1
1 879 . 14 1 1 A 68 68 LYS CA C 68 58.514 56.787 1.727 1
1 880 . 14 1 1 A 68 68 LYS HA H 68 4.494 4.460 0.034 1
1 881 . 14 1 1 A 68 68 LYS CB C 68 32.893 32.898 -0.005 1
1 891 . 14 1 1 A 68 68 LYS C C 68 176.679 177.008 -0.329 1
1 892 . 14 1 1 A 69 69 LEU N N 69 125.294 125.421 -0.127 1
1 893 . 14 1 1 A 69 69 LEU H H 69 8.506 8.926 -0.420 1
1 894 . 14 1 1 A 69 69 LEU CA C 69 54.873 56.587 -1.714 1
1 895 . 14 1 1 A 69 69 LEU HA H 69 4.429 4.418 0.011 1
1 896 . 14 1 1 A 69 69 LEU CB C 69 42.631 43.340 -0.709 1
1 909 . 14 1 1 A 69 69 LEU C C 69 176.203 178.658 -2.455 1
1 10 . 15 1 1 A 2 2 ASP N N 2 123.392 118.299 5.093 1
1 11 . 15 1 1 A 2 2 ASP H H 2 8.830 8.458 0.372 1
1 12 . 15 1 1 A 2 2 ASP CA C 2 54.029 52.508 1.521 1
1 13 . 15 1 1 A 2 2 ASP HA H 2 4.699 5.043 -0.344 1
1 14 . 15 1 1 A 2 2 ASP CB C 2 40.198 40.411 -0.213 1
1 17 . 15 1 1 A 2 2 ASP C C 2 175.639 177.064 -1.425 1
1 18 . 15 1 1 A 3 3 GLU N N 3 121.824 121.989 -0.165 1
1 19 . 15 1 1 A 3 3 GLU H H 3 8.663 8.306 0.357 1
1 20 . 15 1 1 A 3 3 GLU CA C 3 56.162 59.127 -2.965 1
1 21 . 15 1 1 A 3 3 GLU HA H 3 4.406 4.013 0.393 1
1 22 . 15 1 1 A 3 3 GLU CB C 3 28.702 29.379 -0.677 1
1 28 . 15 1 1 A 3 3 GLU C C 3 176.354 178.508 -2.154 1
1 29 . 15 1 1 A 4 4 THR N N 4 114.607 107.954 6.653 1
1 30 . 15 1 1 A 4 4 THR H H 4 8.285 7.789 0.496 1
1 31 . 15 1 1 A 4 4 THR CA C 4 62.425 62.330 0.095 1
1 32 . 15 1 1 A 4 4 THR HA H 4 4.267 4.510 -0.243 1
1 33 . 15 1 1 A 4 4 THR CB C 4 69.672 71.325 -1.653 1
1 39 . 15 1 1 A 4 4 THR C C 4 175.271 175.757 -0.486 1
1 40 . 15 1 1 A 5 5 GLY N N 5 111.345 110.618 0.727 1
1 41 . 15 1 1 A 5 5 GLY H H 5 8.436 8.106 0.330 1
1 42 . 15 1 1 A 5 5 GLY CA C 5 45.297 46.631 -1.334 1
1 43 . 15 1 1 A 5 5 GLY HA2 H 5 3.942 3.934 0.008 1
1 44 . 15 1 1 A 5 5 GLY HA3 H 5 3.942 3.935 0.007 1
1 45 . 15 1 1 A 5 5 GLY C C 5 173.668 174.410 -0.742 1
1 46 . 15 1 1 A 6 6 LYS N N 6 119.783 117.170 2.613 1
1 47 . 15 1 1 A 6 6 LYS H H 6 8.017 8.179 -0.162 1
1 48 . 15 1 1 A 6 6 LYS CA C 6 55.538 57.163 -1.625 1
1 49 . 15 1 1 A 6 6 LYS HA H 6 4.387 4.426 -0.039 1
1 50 . 15 1 1 A 6 6 LYS CB C 6 33.257 34.895 -1.638 1
1 62 . 15 1 1 A 6 6 LYS C C 6 176.029 176.440 -0.411 1
1 63 . 15 1 1 A 7 7 GLU N N 7 122.414 115.931 6.483 1
1 64 . 15 1 1 A 7 7 GLU H H 7 8.584 7.833 0.751 1
1 65 . 15 1 1 A 7 7 GLU CA C 7 55.404 56.007 -0.603 1
1 66 . 15 1 1 A 7 7 GLU HA H 7 4.495 4.929 -0.434 1
1 67 . 15 1 1 A 7 7 GLU CB C 7 30.382 32.465 -2.083 1
1 73 . 15 1 1 A 7 7 GLU C C 7 174.014 174.035 -0.021 1
1 74 . 15 1 1 A 8 8 LEU N N 8 122.989 129.159 -6.170 1
1 75 . 15 1 1 A 8 8 LEU H H 8 8.414 8.748 -0.334 1
1 76 . 15 1 1 A 8 8 LEU CA C 8 53.188 53.408 -0.220 1
1 77 . 15 1 1 A 8 8 LEU HA H 8 5.381 5.217 0.164 1
1 78 . 15 1 1 A 8 8 LEU CB C 8 45.173 45.628 -0.455 1
1 90 . 15 1 1 A 8 8 LEU C C 8 177.329 175.232 2.097 1
1 91 . 15 1 1 A 9 9 VAL N N 9 111.709 118.917 -7.208 1
1 92 . 15 1 1 A 9 9 VAL H H 9 9.125 9.050 0.075 1
1 93 . 15 1 1 A 9 9 VAL CA C 9 57.854 59.250 -1.396 1
1 94 . 15 1 1 A 9 9 VAL HA H 9 5.232 5.083 0.149 1
1 95 . 15 1 1 A 9 9 VAL CB C 9 35.864 35.851 0.013 1
1 105 . 15 1 1 A 9 9 VAL C C 9 172.368 173.857 -1.489 1
1 106 . 15 1 1 A 10 10 LEU N N 10 123.520 126.020 -2.500 1
1 107 . 15 1 1 A 10 10 LEU H H 10 8.989 9.017 -0.028 1
1 108 . 15 1 1 A 10 10 LEU CA C 10 52.445 53.546 -1.101 1
1 109 . 15 1 1 A 10 10 LEU HA H 10 5.113 5.390 -0.277 1
1 110 . 15 1 1 A 10 10 LEU CB C 10 46.776 45.681 1.095 1
1 123 . 15 1 1 A 10 10 LEU C C 10 176.549 176.220 0.329 1
1 124 . 15 1 1 A 11 11 ALA N N 11 127.272 128.646 -1.374 1
1 125 . 15 1 1 A 11 11 ALA H H 11 9.163 8.889 0.274 1
1 126 . 15 1 1 A 11 11 ALA CA C 11 52.416 52.922 -0.506 1
1 127 . 15 1 1 A 11 11 ALA HA H 11 4.602 4.454 0.148 1
1 131 . 15 1 1 A 11 11 ALA CB C 11 19.274 19.155 0.119 1
1 132 . 15 1 1 A 11 11 ALA C C 11 178.282 177.004 1.278 1
1 133 . 15 1 1 A 12 12 LEU N N 12 127.769 124.349 3.420 1
1 134 . 15 1 1 A 12 12 LEU H H 12 9.257 9.524 -0.267 1
1 135 . 15 1 1 A 12 12 LEU CA C 12 55.442 55.828 -0.386 1
1 136 . 15 1 1 A 12 12 LEU HA H 12 3.898 4.443 -0.545 1
1 137 . 15 1 1 A 12 12 LEU CB C 12 43.110 43.255 -0.145 1
1 150 . 15 1 1 A 12 12 LEU C C 12 174.946 176.396 -1.450 1
1 151 . 15 1 1 A 13 13 TYR N N 13 111.673 116.252 -4.579 1
1 152 . 15 1 1 A 13 13 TYR H H 13 7.129 8.072 -0.943 1
1 153 . 15 1 1 A 13 13 TYR CA C 13 54.720 56.669 -1.949 1
1 154 . 15 1 1 A 13 13 TYR HA H 13 4.633 5.120 -0.487 1
1 155 . 15 1 1 A 13 13 TYR CB C 13 43.043 42.137 0.906 1
1 166 . 15 1 1 A 13 13 TYR C C 13 173.668 175.055 -1.387 1
1 167 . 15 1 1 A 14 14 ASP N N 14 117.814 121.584 -3.770 1
1 168 . 15 1 1 A 14 14 ASP H H 14 8.347 8.743 -0.396 1
1 169 . 15 1 1 A 14 14 ASP CA C 14 54.571 53.669 0.902 1
1 170 . 15 1 1 A 14 14 ASP HA H 14 4.633 5.079 -0.446 1
1 171 . 15 1 1 A 14 14 ASP CB C 14 41.136 41.897 -0.761 1
1 174 . 15 1 1 A 14 14 ASP C C 14 176.051 175.047 1.004 1
1 175 . 15 1 1 A 15 15 TYR N N 15 120.213 124.545 -4.332 1
1 176 . 15 1 1 A 15 15 TYR H H 15 8.748 9.246 -0.498 1
1 177 . 15 1 1 A 15 15 TYR CA C 15 59.454 56.506 2.948 1
1 178 . 15 1 1 A 15 15 TYR HA H 15 4.654 5.452 -0.798 1
1 179 . 15 1 1 A 15 15 TYR CB C 15 43.400 42.499 0.901 1
1 190 . 15 1 1 A 15 15 TYR C C 15 172.758 173.959 -1.201 1
1 191 . 15 1 1 A 16 16 GLN N N 16 126.986 124.392 2.594 1
1 192 . 15 1 1 A 16 16 GLN H H 16 7.558 8.342 -0.784 1
1 193 . 15 1 1 A 16 16 GLN CA C 16 53.534 54.186 -0.652 1
1 194 . 15 1 1 A 16 16 GLN HA H 16 4.500 4.976 -0.476 1
1 195 . 15 1 1 A 16 16 GLN CB C 16 29.071 31.465 -2.394 1
1 204 . 15 1 1 A 16 16 GLN C C 16 173.863 174.585 -0.722 1
1 205 . 15 1 1 A 17 17 GLU N N 17 123.063 120.974 2.089 1
1 206 . 15 1 1 A 17 17 GLU H H 17 7.979 8.487 -0.508 1
1 207 . 15 1 1 A 17 17 GLU CA C 17 55.935 55.686 0.249 1
1 208 . 15 1 1 A 17 17 GLU HA H 17 4.182 4.735 -0.553 1
1 209 . 15 1 1 A 17 17 GLU CB C 17 28.948 30.675 -1.727 1
1 215 . 15 1 1 A 17 17 GLU C C 17 175.899 175.729 0.170 1
1 216 . 15 1 1 A 18 18 LYS N N 18 120.853 123.820 -2.967 1
1 217 . 15 1 1 A 18 18 LYS H H 18 8.771 8.996 -0.225 1
1 218 . 15 1 1 A 18 18 LYS CA C 18 55.393 57.398 -2.005 1
1 219 . 15 1 1 A 18 18 LYS HA H 18 4.390 4.442 -0.052 1
1 220 . 15 1 1 A 18 18 LYS CB C 18 33.393 34.472 -1.079 1
1 232 . 15 1 1 A 18 18 LYS C C 18 176.138 176.145 -0.007 1
1 233 . 15 1 1 A 19 19 SER N N 19 115.089 113.165 1.924 1
1 234 . 15 1 1 A 19 19 SER H H 19 7.658 8.146 -0.488 1
1 235 . 15 1 1 A 19 19 SER CA C 19 56.821 56.902 -0.081 1
1 236 . 15 1 1 A 19 19 SER HA H 19 4.863 4.590 0.273 1
1 237 . 15 1 1 A 19 19 SER CB C 19 64.208 64.051 0.157 1
1 241 . 15 1 1 A 20 20 PRO CA C 20 64.803 64.336 0.467 1
1 242 . 15 1 1 A 20 20 PRO HA H 20 4.521 4.519 0.002 1
1 243 . 15 1 1 A 20 20 PRO CB C 20 31.657 31.799 -0.142 1
1 251 . 15 1 1 A 20 20 PRO C C 20 176.657 177.684 -1.027 1
1 252 . 15 1 1 A 21 21 ARG N N 21 113.827 116.907 -3.080 1
1 253 . 15 1 1 A 21 21 ARG H H 21 7.694 8.409 -0.715 1
1 254 . 15 1 1 A 21 21 ARG CA C 21 56.119 57.377 -1.258 1
1 255 . 15 1 1 A 21 21 ARG HA H 21 4.593 4.268 0.325 1
1 256 . 15 1 1 A 21 21 ARG CB C 21 30.299 31.090 -0.791 1
1 265 . 15 1 1 A 21 21 ARG C C 21 173.386 176.897 -3.511 1
1 266 . 15 1 1 A 22 22 GLU N N 22 121.389 117.991 3.398 1
1 267 . 15 1 1 A 22 22 GLU H H 22 7.850 7.981 -0.131 1
1 268 . 15 1 1 A 22 22 GLU CA C 22 54.951 55.858 -0.907 1
1 269 . 15 1 1 A 22 22 GLU HA H 22 5.487 4.691 0.796 1
1 270 . 15 1 1 A 22 22 GLU CB C 22 33.588 30.841 2.747 1
1 276 . 15 1 1 A 22 22 GLU C C 22 174.491 176.129 -1.638 1
1 277 . 15 1 1 A 23 23 VAL N N 23 113.069 118.960 -5.891 1
1 278 . 15 1 1 A 23 23 VAL H H 23 7.410 8.890 -1.480 1
1 279 . 15 1 1 A 23 23 VAL CA C 23 59.793 59.331 0.462 1
1 280 . 15 1 1 A 23 23 VAL HA H 23 4.531 5.087 -0.556 1
1 281 . 15 1 1 A 23 23 VAL CB C 23 34.667 35.383 -0.716 1
1 291 . 15 1 1 A 23 23 VAL C C 23 172.541 174.721 -2.180 1
1 292 . 15 1 1 A 24 24 THR N N 24 118.283 119.047 -0.764 1
1 293 . 15 1 1 A 24 24 THR H H 24 7.362 8.852 -1.490 1
1 294 . 15 1 1 A 24 24 THR CA C 24 61.708 62.461 -0.753 1
1 295 . 15 1 1 A 24 24 THR HA H 24 5.085 4.883 0.202 1
1 296 . 15 1 1 A 24 24 THR CB C 24 70.934 70.103 0.831 1
1 302 . 15 1 1 A 24 24 THR C C 24 174.274 174.402 -0.128 1
1 303 . 15 1 1 A 25 25 MET N N 25 121.971 123.361 -1.390 1
1 304 . 15 1 1 A 25 25 MET H H 25 9.523 8.701 0.822 1
1 305 . 15 1 1 A 25 25 MET CA C 25 54.328 53.844 0.484 1
1 306 . 15 1 1 A 25 25 MET HA H 25 4.929 5.395 -0.466 1
1 307 . 15 1 1 A 25 25 MET CB C 25 36.287 35.898 0.389 1
1 317 . 15 1 1 A 25 25 MET C C 25 173.841 173.738 0.103 1
1 318 . 15 1 1 A 26 26 LYS N N 26 124.399 124.502 -0.103 1
1 319 . 15 1 1 A 26 26 LYS H H 26 8.820 8.865 -0.045 1
1 320 . 15 1 1 A 26 26 LYS CA C 26 53.699 54.787 -1.088 1
1 321 . 15 1 1 A 26 26 LYS HA H 26 4.879 4.951 -0.072 1
1 322 . 15 1 1 A 26 26 LYS CB C 26 34.097 34.858 -0.761 1
1 332 . 15 1 1 A 26 26 LYS C C 26 174.968 176.078 -1.110 1
1 333 . 15 1 1 A 27 27 LYS N N 27 122.619 123.397 -0.778 1
1 334 . 15 1 1 A 27 27 LYS H H 27 9.013 8.538 0.475 1
1 335 . 15 1 1 A 27 27 LYS CA C 27 58.078 57.118 0.960 1
1 336 . 15 1 1 A 27 27 LYS HA H 27 4.837 4.130 0.707 1
1 337 . 15 1 1 A 27 27 LYS CB C 27 32.269 31.939 0.330 1
1 349 . 15 1 1 A 27 27 LYS C C 27 177.307 176.987 0.320 1
1 350 . 15 1 1 A 28 28 GLY N N 28 115.785 113.297 2.488 1
1 351 . 15 1 1 A 28 28 GLY H H 28 8.902 8.956 -0.054 1
1 352 . 15 1 1 A 28 28 GLY CA C 28 44.564 45.027 -0.463 1
1 353 . 15 1 1 A 28 28 GLY HA2 H 28 3.538 4.031 -0.493 1
1 354 . 15 1 1 A 28 28 GLY HA3 H 28 4.481 4.033 0.448 1
1 355 . 15 1 1 A 28 28 GLY C C 28 174.014 174.185 -0.171 1
1 356 . 15 1 1 A 29 29 ASP N N 29 122.243 121.665 0.578 1
1 357 . 15 1 1 A 29 29 ASP H H 29 8.511 8.398 0.113 1
1 358 . 15 1 1 A 29 29 ASP CA C 29 55.353 54.107 1.246 1
1 359 . 15 1 1 A 29 29 ASP HA H 29 4.523 4.688 -0.165 1
1 360 . 15 1 1 A 29 29 ASP CB C 29 41.146 42.293 -1.147 1
1 363 . 15 1 1 A 29 29 ASP C C 29 174.274 175.735 -1.461 1
1 364 . 15 1 1 A 30 30 ILE N N 30 120.587 122.909 -2.322 1
1 365 . 15 1 1 A 30 30 ILE H H 30 8.227 8.357 -0.130 1
1 366 . 15 1 1 A 30 30 ILE CA C 30 60.366 60.673 -0.307 1
1 367 . 15 1 1 A 30 30 ILE HA H 30 5.036 5.197 -0.161 1
1 368 . 15 1 1 A 30 30 ILE CB C 30 38.210 41.147 -2.937 1
1 381 . 15 1 1 A 30 30 ILE C C 30 176.246 174.589 1.657 1
1 382 . 15 1 1 A 31 31 LEU N N 31 128.265 127.363 0.902 1
1 383 . 15 1 1 A 31 31 LEU H H 31 9.353 8.992 0.361 1
1 384 . 15 1 1 A 31 31 LEU CA C 31 53.414 53.450 -0.036 1
1 385 . 15 1 1 A 31 31 LEU HA H 31 5.010 5.036 -0.026 1
1 386 . 15 1 1 A 31 31 LEU CB C 31 43.893 45.638 -1.745 1
1 397 . 15 1 1 A 31 31 LEU C C 31 175.596 175.350 0.246 1
1 398 . 15 1 1 A 32 32 THR N N 32 117.027 118.146 -1.119 1
1 399 . 15 1 1 A 32 32 THR H H 32 8.146 8.624 -0.478 1
1 400 . 15 1 1 A 32 32 THR CA C 32 63.046 62.262 0.784 1
1 401 . 15 1 1 A 32 32 THR HA H 32 4.629 4.784 -0.155 1
1 402 . 15 1 1 A 32 32 THR CB C 32 69.576 69.200 0.376 1
1 408 . 15 1 1 A 32 32 THR C C 32 173.559 174.537 -0.978 1
1 409 . 15 1 1 A 33 33 LEU N N 33 129.212 128.984 0.228 1
1 410 . 15 1 1 A 33 33 LEU H H 33 9.070 8.486 0.584 1
1 411 . 15 1 1 A 33 33 LEU CA C 33 54.894 55.838 -0.944 1
1 412 . 15 1 1 A 33 33 LEU HA H 33 4.351 4.316 0.035 1
1 413 . 15 1 1 A 33 33 LEU CB C 33 43.191 42.390 0.801 1
1 426 . 15 1 1 A 33 33 LEU C C 33 174.513 176.546 -2.033 1
1 427 . 15 1 1 A 34 34 LEU N N 34 125.818 129.917 -4.099 1
1 428 . 15 1 1 A 34 34 LEU H H 34 9.060 9.098 -0.038 1
1 429 . 15 1 1 A 34 34 LEU CA C 34 54.885 56.565 -1.680 1
1 430 . 15 1 1 A 34 34 LEU HA H 34 4.523 4.365 0.158 1
1 431 . 15 1 1 A 34 34 LEU CB C 34 42.990 42.726 0.264 1
1 443 . 15 1 1 A 34 34 LEU C C 34 177.502 175.773 1.729 1
1 444 . 15 1 1 A 35 35 ASN N N 35 114.008 116.997 -2.989 1
1 445 . 15 1 1 A 35 35 ASN H H 35 7.617 8.077 -0.460 1
1 446 . 15 1 1 A 35 35 ASN CA C 35 54.502 51.926 2.576 1
1 447 . 15 1 1 A 35 35 ASN HA H 35 4.736 5.042 -0.306 1
1 448 . 15 1 1 A 35 35 ASN CB C 35 40.933 41.835 -0.902 1
1 454 . 15 1 1 A 35 35 ASN C C 35 174.318 174.576 -0.258 1
1 455 . 15 1 1 A 36 36 SER N N 36 123.608 118.548 5.060 1
1 456 . 15 1 1 A 36 36 SER H H 36 9.172 8.345 0.827 1
1 457 . 15 1 1 A 36 36 SER CA C 36 56.915 56.776 0.139 1
1 458 . 15 1 1 A 36 36 SER HA H 36 3.940 4.242 -0.302 1
1 459 . 15 1 1 A 36 36 SER CB C 36 62.042 63.099 -1.057 1
1 462 . 15 1 1 A 36 36 SER C C 36 173.364 175.303 -1.939 1
1 463 . 15 1 1 A 37 37 THR N N 37 115.130 116.423 -1.293 1
1 464 . 15 1 1 A 37 37 THR H H 37 8.184 7.586 0.598 1
1 465 . 15 1 1 A 37 37 THR CA C 37 65.381 65.208 0.173 1
1 466 . 15 1 1 A 37 37 THR HA H 37 3.980 4.056 -0.076 1
1 467 . 15 1 1 A 37 37 THR CB C 37 69.489 69.019 0.470 1
1 473 . 15 1 1 A 37 37 THR C C 37 175.249 174.685 0.564 1
1 474 . 15 1 1 A 38 38 ASN N N 38 122.469 118.137 4.332 1
1 475 . 15 1 1 A 38 38 ASN H H 38 8.681 8.390 0.291 1
1 476 . 15 1 1 A 38 38 ASN CA C 38 53.337 52.042 1.295 1
1 477 . 15 1 1 A 38 38 ASN HA H 38 4.867 5.075 -0.208 1
1 478 . 15 1 1 A 38 38 ASN CB C 38 40.376 40.286 0.090 1
1 484 . 15 1 1 A 38 38 ASN C C 38 174.599 175.095 -0.496 1
1 485 . 15 1 1 A 39 39 LYS N N 39 120.915 119.446 1.469 1
1 486 . 15 1 1 A 39 39 LYS H H 39 8.516 8.920 -0.404 1
1 487 . 15 1 1 A 39 39 LYS CA C 39 58.333 56.712 1.621 1
1 488 . 15 1 1 A 39 39 LYS HA H 39 4.247 4.736 -0.489 1
1 489 . 15 1 1 A 39 39 LYS CB C 39 32.371 34.514 -2.143 1
1 499 . 15 1 1 A 39 39 LYS C C 39 176.268 177.462 -1.194 1
1 500 . 15 1 1 A 40 40 ASP N N 40 114.512 117.666 -3.154 1
1 501 . 15 1 1 A 40 40 ASP H H 40 8.210 8.051 0.159 1
1 502 . 15 1 1 A 40 40 ASP CA C 40 55.083 55.695 -0.612 1
1 503 . 15 1 1 A 40 40 ASP HA H 40 4.544 4.362 0.182 1
1 504 . 15 1 1 A 40 40 ASP CB C 40 43.014 41.942 1.072 1
1 507 . 15 1 1 A 40 40 ASP C C 40 176.852 175.622 1.230 1
1 508 . 15 1 1 A 41 41 TRP N N 41 122.703 116.552 6.151 1
1 509 . 15 1 1 A 41 41 TRP H H 41 8.212 8.005 0.207 1
1 510 . 15 1 1 A 41 41 TRP CA C 41 56.005 55.555 0.450 1
1 511 . 15 1 1 A 41 41 TRP HA H 41 5.078 5.252 -0.174 1
1 512 . 15 1 1 A 41 41 TRP CB C 41 32.019 31.257 0.762 1
1 527 . 15 1 1 A 41 41 TRP C C 41 174.166 175.879 -1.713 1
1 528 . 15 1 1 A 42 42 TRP N N 42 124.905 123.630 1.275 1
1 529 . 15 1 1 A 42 42 TRP H H 42 9.380 9.703 -0.323 1
1 530 . 15 1 1 A 42 42 TRP CA C 42 53.861 55.460 -1.599 1
1 531 . 15 1 1 A 42 42 TRP HA H 42 5.523 5.254 0.269 1
1 532 . 15 1 1 A 42 42 TRP CB C 42 31.543 32.704 -1.161 1
1 547 . 15 1 1 A 42 42 TRP C C 42 174.144 175.799 -1.655 1
1 548 . 15 1 1 A 43 43 LYS N N 43 124.120 122.994 1.126 1
1 549 . 15 1 1 A 43 43 LYS H H 43 8.896 8.790 0.106 1
1 550 . 15 1 1 A 43 43 LYS CA C 43 55.231 55.646 -0.415 1
1 551 . 15 1 1 A 43 43 LYS HA H 43 4.396 4.995 -0.599 1
1 552 . 15 1 1 A 43 43 LYS CB C 43 34.366 32.976 1.390 1
1 564 . 15 1 1 A 43 43 LYS C C 43 175.423 175.874 -0.451 1
1 565 . 15 1 1 A 44 44 VAL N N 44 121.984 117.887 4.097 1
1 566 . 15 1 1 A 44 44 VAL H H 44 9.430 8.979 0.451 1
1 567 . 15 1 1 A 44 44 VAL CA C 44 58.751 58.915 -0.164 1
1 568 . 15 1 1 A 44 44 VAL HA H 44 5.375 5.146 0.229 1
1 569 . 15 1 1 A 44 44 VAL CB C 44 36.378 35.261 1.117 1
1 579 . 15 1 1 A 44 44 VAL C C 44 173.234 173.749 -0.515 1
1 580 . 15 1 1 A 45 45 GLU N N 45 118.425 123.023 -4.598 1
1 581 . 15 1 1 A 45 45 GLU H H 45 8.757 9.140 -0.383 1
1 582 . 15 1 1 A 45 45 GLU CA C 45 54.139 55.235 -1.096 1
1 583 . 15 1 1 A 45 45 GLU HA H 45 5.423 5.321 0.102 1
1 584 . 15 1 1 A 45 45 GLU CB C 45 32.891 31.569 1.322 1
1 590 . 15 1 1 A 45 45 GLU C C 45 174.621 176.159 -1.538 1
1 591 . 15 1 1 A 46 46 VAL N N 46 123.694 120.391 3.303 1
1 592 . 15 1 1 A 46 46 VAL H H 46 9.089 9.043 0.046 1
1 593 . 15 1 1 A 46 46 VAL CA C 46 59.627 59.362 0.265 1
1 594 . 15 1 1 A 46 46 VAL HA H 46 4.669 5.101 -0.432 1
1 595 . 15 1 1 A 46 46 VAL CB C 46 35.290 35.505 -0.215 1
1 604 . 15 1 1 A 46 46 VAL C C 46 173.234 173.537 -0.303 1
1 605 . 15 1 1 A 47 47 LYS N N 47 124.893 121.668 3.225 1
1 606 . 15 1 1 A 47 47 LYS H H 47 8.455 8.674 -0.219 1
1 607 . 15 1 1 A 47 47 LYS CA C 47 55.404 54.537 0.867 1
1 608 . 15 1 1 A 47 47 LYS HA H 47 5.022 5.397 -0.375 1
1 609 . 15 1 1 A 47 47 LYS CB C 47 33.959 35.269 -1.310 1
1 619 . 15 1 1 A 47 47 LYS C C 47 175.899 174.920 0.979 1
1 620 . 15 1 1 A 48 48 ILE N N 48 124.447 127.734 -3.287 1
1 621 . 15 1 1 A 48 48 ILE H H 48 8.989 9.139 -0.150 1
1 622 . 15 1 1 A 48 48 ILE CA C 48 59.646 59.998 -0.352 1
1 623 . 15 1 1 A 48 48 ILE HA H 48 4.529 4.995 -0.466 1
1 624 . 15 1 1 A 48 48 ILE CB C 48 41.170 40.778 0.392 1
1 637 . 15 1 1 A 48 48 ILE C C 48 174.144 174.997 -0.853 1
1 638 . 15 1 1 A 49 49 THR N N 49 121.012 123.741 -2.729 1
1 639 . 15 1 1 A 49 49 THR H H 49 8.570 8.930 -0.360 1
1 640 . 15 1 1 A 49 49 THR CA C 49 61.301 62.085 -0.784 1
1 641 . 15 1 1 A 49 49 THR HA H 49 5.272 5.063 0.209 1
1 642 . 15 1 1 A 49 49 THR CB C 49 69.853 69.656 0.197 1
1 648 . 15 1 1 A 49 49 THR C C 49 174.318 173.988 0.330 1
1 649 . 15 1 1 A 50 50 VAL N N 50 126.754 126.771 -0.017 1
1 650 . 15 1 1 A 50 50 VAL H H 50 9.104 8.931 0.173 1
1 651 . 15 1 1 A 50 50 VAL CA C 50 61.070 61.204 -0.134 1
1 652 . 15 1 1 A 50 50 VAL HA H 50 4.292 4.513 -0.221 1
1 653 . 15 1 1 A 50 50 VAL CB C 50 34.452 34.069 0.383 1
1 663 . 15 1 1 A 50 50 VAL C C 50 175.899 176.209 -0.310 1
1 664 . 15 1 1 A 51 51 ASN N N 51 127.590 128.585 -0.995 1
1 665 . 15 1 1 A 51 51 ASN H H 51 9.619 9.594 0.025 1
1 666 . 15 1 1 A 51 51 ASN CA C 51 54.177 54.559 -0.382 1
1 667 . 15 1 1 A 51 51 ASN HA H 51 4.390 4.470 -0.080 1
1 668 . 15 1 1 A 51 51 ASN CB C 51 37.413 37.105 0.308 1
1 671 . 15 1 1 A 51 51 ASN C C 51 175.249 175.426 -0.177 1
1 672 . 15 1 1 A 52 52 GLY N N 52 102.845 104.848 -2.003 1
1 673 . 15 1 1 A 52 52 GLY H H 52 8.535 8.471 0.064 1
1 674 . 15 1 1 A 52 52 GLY CA C 52 45.443 45.389 0.054 1
1 675 . 15 1 1 A 52 52 GLY HA2 H 52 3.555 3.858 -0.303 1
1 676 . 15 1 1 A 52 52 GLY HA3 H 52 4.120 3.863 0.257 1
1 677 . 15 1 1 A 52 52 GLY C C 52 176.398 173.418 2.980 1
1 678 . 15 1 1 A 53 53 LYS N N 53 121.989 122.113 -0.124 1
1 679 . 15 1 1 A 53 53 LYS H H 53 7.849 8.281 -0.432 1
1 680 . 15 1 1 A 53 53 LYS CA C 53 54.807 55.164 -0.357 1
1 681 . 15 1 1 A 53 53 LYS HA H 53 4.641 4.498 0.143 1
1 682 . 15 1 1 A 53 53 LYS CB C 53 34.440 33.803 0.637 1
1 694 . 15 1 1 A 53 53 LYS C C 53 174.513 175.953 -1.440 1
1 695 . 15 1 1 A 54 54 THR N N 54 118.860 120.766 -1.906 1
1 696 . 15 1 1 A 54 54 THR H H 54 8.445 8.535 -0.090 1
1 697 . 15 1 1 A 54 54 THR CA C 54 62.074 62.875 -0.801 1
1 698 . 15 1 1 A 54 54 THR HA H 54 5.167 4.515 0.652 1
1 699 . 15 1 1 A 54 54 THR CB C 54 70.071 68.879 1.192 1
1 705 . 15 1 1 A 54 54 THR C C 54 173.689 173.597 0.092 1
1 706 . 15 1 1 A 55 55 TYR N N 55 125.966 126.722 -0.756 1
1 707 . 15 1 1 A 55 55 TYR H H 55 9.319 9.535 -0.216 1
1 708 . 15 1 1 A 55 55 TYR CA C 55 56.507 56.435 0.072 1
1 709 . 15 1 1 A 55 55 TYR HA H 55 4.767 5.221 -0.454 1
1 710 . 15 1 1 A 55 55 TYR CB C 55 40.591 42.917 -2.326 1
1 721 . 15 1 1 A 55 55 TYR C C 55 173.538 174.861 -1.323 1
1 722 . 15 1 1 A 56 56 GLU N N 56 119.827 120.122 -0.295 1
1 723 . 15 1 1 A 56 56 GLU H H 56 8.568 8.955 -0.387 1
1 724 . 15 1 1 A 56 56 GLU CA C 56 54.503 55.430 -0.927 1
1 725 . 15 1 1 A 56 56 GLU HA H 56 5.247 5.440 -0.193 1
1 726 . 15 1 1 A 56 56 GLU CB C 56 30.297 34.362 -4.065 1
1 732 . 15 1 1 A 56 56 GLU C C 56 175.726 175.077 0.649 1
1 733 . 15 1 1 A 57 57 ARG N N 57 123.399 119.631 3.768 1
1 734 . 15 1 1 A 57 57 ARG H H 57 8.971 8.277 0.694 1
1 735 . 15 1 1 A 57 57 ARG CA C 57 54.944 55.062 -0.118 1
1 736 . 15 1 1 A 57 57 ARG HA H 57 4.710 5.063 -0.353 1
1 737 . 15 1 1 A 57 57 ARG CB C 57 33.362 34.023 -0.661 1
1 746 . 15 1 1 A 57 57 ARG C C 57 174.166 174.271 -0.105 1
1 747 . 15 1 1 A 58 58 GLN N N 58 120.188 120.097 0.091 1
1 748 . 15 1 1 A 58 58 GLN H H 58 8.634 8.449 0.185 1
1 749 . 15 1 1 A 58 58 GLN CA C 58 53.251 55.136 -1.885 1
1 750 . 15 1 1 A 58 58 GLN HA H 58 5.602 5.084 0.518 1
1 751 . 15 1 1 A 58 58 GLN CB C 58 31.229 29.787 1.442 1
1 760 . 15 1 1 A 58 58 GLN C C 58 175.726 175.126 0.600 1
1 761 . 15 1 1 A 59 59 GLY N N 59 107.196 109.597 -2.401 1
1 762 . 15 1 1 A 59 59 GLY H H 59 8.644 8.990 -0.346 1
1 763 . 15 1 1 A 59 59 GLY CA C 59 45.583 44.122 1.461 1
1 764 . 15 1 1 A 59 59 GLY HA2 H 59 3.947 4.097 -0.150 1
1 765 . 15 1 1 A 59 59 GLY HA3 H 59 3.947 4.337 -0.390 1
1 766 . 15 1 1 A 59 59 GLY C C 59 170.223 171.673 -1.450 1
1 767 . 15 1 1 A 60 60 PHE N N 60 119.079 119.243 -0.164 1
1 768 . 15 1 1 A 60 60 PHE H H 60 9.178 8.578 0.600 1
1 769 . 15 1 1 A 60 60 PHE CA C 60 58.544 58.196 0.348 1
1 770 . 15 1 1 A 60 60 PHE HA H 60 5.668 5.149 0.519 1
1 771 . 15 1 1 A 60 60 PHE CB C 60 42.484 40.578 1.906 1
1 784 . 15 1 1 A 60 60 PHE C C 60 175.423 175.772 -0.349 1
1 785 . 15 1 1 A 61 61 VAL N N 61 111.060 116.674 -5.614 1
1 786 . 15 1 1 A 61 61 VAL H H 61 9.089 9.044 0.045 1
1 787 . 15 1 1 A 61 61 VAL CA C 61 58.189 58.551 -0.362 1
1 788 . 15 1 1 A 61 61 VAL HA H 61 4.833 4.784 0.049 1
1 789 . 15 1 1 A 61 61 VAL CB C 61 33.744 35.023 -1.279 1
1 800 . 15 1 1 A 62 62 PRO CA C 62 61.852 62.154 -0.302 1
1 801 . 15 1 1 A 62 62 PRO HA H 62 3.572 4.267 -0.695 1
1 802 . 15 1 1 A 62 62 PRO CB C 62 29.704 30.930 -1.226 1
1 810 . 15 1 1 A 62 62 PRO C C 62 177.719 177.393 0.326 1
1 811 . 15 1 1 A 63 63 ALA N N 63 129.142 128.205 0.937 1
1 812 . 15 1 1 A 63 63 ALA H H 63 7.477 8.357 -0.880 1
1 813 . 15 1 1 A 63 63 ALA CA C 63 54.472 54.428 0.044 1
1 814 . 15 1 1 A 63 63 ALA HA H 63 2.655 3.702 -1.047 1
1 818 . 15 1 1 A 63 63 ALA CB C 63 15.740 16.929 -1.189 1
1 819 . 15 1 1 A 63 63 ALA C C 63 178.434 179.503 -1.069 1
1 820 . 15 1 1 A 64 64 ALA N N 64 113.410 119.395 -5.985 1
1 821 . 15 1 1 A 64 64 ALA H H 64 7.857 8.059 -0.202 1
1 822 . 15 1 1 A 64 64 ALA CA C 64 52.991 54.166 -1.175 1
1 823 . 15 1 1 A 64 64 ALA HA H 64 4.006 4.011 -0.005 1
1 827 . 15 1 1 A 64 64 ALA CB C 64 17.605 18.272 -0.667 1
1 828 . 15 1 1 A 64 64 ALA C C 64 178.109 178.211 -0.102 1
1 829 . 15 1 1 A 65 65 TYR N N 65 116.059 116.750 -0.691 1
1 830 . 15 1 1 A 65 65 TYR H H 65 7.705 7.936 -0.231 1
1 831 . 15 1 1 A 65 65 TYR CA C 65 56.477 57.848 -1.371 1
1 832 . 15 1 1 A 65 65 TYR HA H 65 4.758 4.697 0.061 1
1 833 . 15 1 1 A 65 65 TYR CB C 65 37.765 39.035 -1.270 1
1 844 . 15 1 1 A 65 65 TYR C C 65 174.361 175.521 -1.160 1
1 845 . 15 1 1 A 66 66 VAL N N 66 111.003 115.821 -4.818 1
1 846 . 15 1 1 A 66 66 VAL H H 66 7.422 7.609 -0.187 1
1 847 . 15 1 1 A 66 66 VAL CA C 66 58.268 59.112 -0.844 1
1 848 . 15 1 1 A 66 66 VAL HA H 66 5.547 5.033 0.514 1
1 849 . 15 1 1 A 66 66 VAL CB C 66 35.809 36.403 -0.594 1
1 859 . 15 1 1 A 66 66 VAL C C 66 173.538 173.865 -0.327 1
1 860 . 15 1 1 A 67 67 LYS N N 67 118.514 120.234 -1.720 1
1 861 . 15 1 1 A 67 67 LYS H H 67 8.636 8.991 -0.355 1
1 862 . 15 1 1 A 67 67 LYS CA C 67 53.828 54.117 -0.289 1
1 863 . 15 1 1 A 67 67 LYS HA H 67 4.840 5.134 -0.294 1
1 864 . 15 1 1 A 67 67 LYS CB C 67 36.636 36.305 0.331 1
1 876 . 15 1 1 A 67 67 LYS C C 67 176.029 174.231 1.798 1
1 877 . 15 1 1 A 68 68 LYS N N 68 125.817 121.786 4.031 1
1 878 . 15 1 1 A 68 68 LYS H H 68 9.246 8.714 0.532 1
1 879 . 15 1 1 A 68 68 LYS CA C 68 58.514 54.830 3.684 1
1 880 . 15 1 1 A 68 68 LYS HA H 68 4.494 5.190 -0.696 1
1 881 . 15 1 1 A 68 68 LYS CB C 68 32.893 35.060 -2.167 1
1 891 . 15 1 1 A 68 68 LYS C C 68 176.679 175.556 1.123 1
1 892 . 15 1 1 A 69 69 LEU N N 69 125.294 127.125 -1.831 1
1 893 . 15 1 1 A 69 69 LEU H H 69 8.506 9.158 -0.652 1
1 894 . 15 1 1 A 69 69 LEU CA C 69 54.873 56.161 -1.288 1
1 895 . 15 1 1 A 69 69 LEU HA H 69 4.429 4.422 0.007 1
1 896 . 15 1 1 A 69 69 LEU CB C 69 42.631 42.477 0.154 1
1 909 . 15 1 1 A 69 69 LEU C C 69 176.203 176.129 0.074 1
1 10 . 16 1 1 A 2 2 ASP N N 2 123.392 119.014 4.378 1
1 11 . 16 1 1 A 2 2 ASP H H 2 8.830 8.325 0.505 1
1 12 . 16 1 1 A 2 2 ASP CA C 2 54.029 53.631 0.398 1
1 13 . 16 1 1 A 2 2 ASP HA H 2 4.699 4.916 -0.217 1
1 14 . 16 1 1 A 2 2 ASP CB C 2 40.198 41.322 -1.124 1
1 17 . 16 1 1 A 2 2 ASP C C 2 175.639 176.537 -0.898 1
1 18 . 16 1 1 A 3 3 GLU N N 3 121.824 119.183 2.641 1
1 19 . 16 1 1 A 3 3 GLU H H 3 8.663 8.265 0.398 1
1 20 . 16 1 1 A 3 3 GLU CA C 3 56.162 55.560 0.602 1
1 21 . 16 1 1 A 3 3 GLU HA H 3 4.406 4.533 -0.127 1
1 22 . 16 1 1 A 3 3 GLU CB C 3 28.702 28.873 -0.171 1
1 28 . 16 1 1 A 3 3 GLU C C 3 176.354 177.424 -1.070 1
1 29 . 16 1 1 A 4 4 THR N N 4 114.607 114.875 -0.268 1
1 30 . 16 1 1 A 4 4 THR H H 4 8.285 7.841 0.444 1
1 31 . 16 1 1 A 4 4 THR CA C 4 62.425 63.437 -1.012 1
1 32 . 16 1 1 A 4 4 THR HA H 4 4.267 4.329 -0.062 1
1 33 . 16 1 1 A 4 4 THR CB C 4 69.672 69.687 -0.015 1
1 39 . 16 1 1 A 4 4 THR C C 4 175.271 174.783 0.488 1
1 40 . 16 1 1 A 5 5 GLY N N 5 111.345 109.069 2.276 1
1 41 . 16 1 1 A 5 5 GLY H H 5 8.436 7.877 0.559 1
1 42 . 16 1 1 A 5 5 GLY CA C 5 45.297 46.325 -1.028 1
1 43 . 16 1 1 A 5 5 GLY HA2 H 5 3.942 3.986 -0.044 1
1 44 . 16 1 1 A 5 5 GLY HA3 H 5 3.942 3.988 -0.046 1
1 45 . 16 1 1 A 5 5 GLY C C 5 173.668 175.404 -1.736 1
1 46 . 16 1 1 A 6 6 LYS N N 6 119.783 120.150 -0.367 1
1 47 . 16 1 1 A 6 6 LYS H H 6 8.017 8.074 -0.057 1
1 48 . 16 1 1 A 6 6 LYS CA C 6 55.538 59.117 -3.579 1
1 49 . 16 1 1 A 6 6 LYS HA H 6 4.387 4.066 0.321 1
1 50 . 16 1 1 A 6 6 LYS CB C 6 33.257 32.082 1.175 1
1 62 . 16 1 1 A 6 6 LYS C C 6 176.029 176.606 -0.577 1
1 63 . 16 1 1 A 7 7 GLU N N 7 122.414 115.972 6.442 1
1 64 . 16 1 1 A 7 7 GLU H H 7 8.584 7.633 0.951 1
1 65 . 16 1 1 A 7 7 GLU CA C 7 55.404 55.381 0.023 1
1 66 . 16 1 1 A 7 7 GLU HA H 7 4.495 4.629 -0.134 1
1 67 . 16 1 1 A 7 7 GLU CB C 7 30.382 29.325 1.057 1
1 73 . 16 1 1 A 7 7 GLU C C 7 174.014 175.638 -1.624 1
1 74 . 16 1 1 A 8 8 LEU N N 8 122.989 123.923 -0.934 1
1 75 . 16 1 1 A 8 8 LEU H H 8 8.414 8.522 -0.108 1
1 76 . 16 1 1 A 8 8 LEU CA C 8 53.188 54.463 -1.275 1
1 77 . 16 1 1 A 8 8 LEU HA H 8 5.381 4.878 0.503 1
1 78 . 16 1 1 A 8 8 LEU CB C 8 45.173 42.821 2.352 1
1 90 . 16 1 1 A 8 8 LEU C C 8 177.329 176.577 0.752 1
1 91 . 16 1 1 A 9 9 VAL N N 9 111.709 119.904 -8.195 1
1 92 . 16 1 1 A 9 9 VAL H H 9 9.125 9.555 -0.430 1
1 93 . 16 1 1 A 9 9 VAL CA C 9 57.854 59.552 -1.698 1
1 94 . 16 1 1 A 9 9 VAL HA H 9 5.232 5.023 0.209 1
1 95 . 16 1 1 A 9 9 VAL CB C 9 35.864 34.779 1.085 1
1 105 . 16 1 1 A 9 9 VAL C C 9 172.368 173.940 -1.572 1
1 106 . 16 1 1 A 10 10 LEU N N 10 123.520 127.352 -3.832 1
1 107 . 16 1 1 A 10 10 LEU H H 10 8.989 9.085 -0.096 1
1 108 . 16 1 1 A 10 10 LEU CA C 10 52.445 53.382 -0.937 1
1 109 . 16 1 1 A 10 10 LEU HA H 10 5.113 5.381 -0.268 1
1 110 . 16 1 1 A 10 10 LEU CB C 10 46.776 44.706 2.070 1
1 123 . 16 1 1 A 10 10 LEU C C 10 176.549 175.439 1.110 1
1 124 . 16 1 1 A 11 11 ALA N N 11 127.272 128.046 -0.774 1
1 125 . 16 1 1 A 11 11 ALA H H 11 9.163 8.891 0.272 1
1 126 . 16 1 1 A 11 11 ALA CA C 11 52.416 51.875 0.541 1
1 127 . 16 1 1 A 11 11 ALA HA H 11 4.602 4.528 0.074 1
1 131 . 16 1 1 A 11 11 ALA CB C 11 19.274 19.318 -0.044 1
1 132 . 16 1 1 A 11 11 ALA C C 11 178.282 176.775 1.507 1
1 133 . 16 1 1 A 12 12 LEU N N 12 127.769 124.773 2.996 1
1 134 . 16 1 1 A 12 12 LEU H H 12 9.257 9.362 -0.105 1
1 135 . 16 1 1 A 12 12 LEU CA C 12 55.442 55.694 -0.252 1
1 136 . 16 1 1 A 12 12 LEU HA H 12 3.898 4.385 -0.487 1
1 137 . 16 1 1 A 12 12 LEU CB C 12 43.110 42.641 0.469 1
1 150 . 16 1 1 A 12 12 LEU C C 12 174.946 176.384 -1.438 1
1 151 . 16 1 1 A 13 13 TYR N N 13 111.673 116.210 -4.537 1
1 152 . 16 1 1 A 13 13 TYR H H 13 7.129 8.112 -0.983 1
1 153 . 16 1 1 A 13 13 TYR CA C 13 54.720 56.713 -1.993 1
1 154 . 16 1 1 A 13 13 TYR HA H 13 4.633 5.087 -0.454 1
1 155 . 16 1 1 A 13 13 TYR CB C 13 43.043 42.227 0.816 1
1 166 . 16 1 1 A 13 13 TYR C C 13 173.668 174.642 -0.974 1
1 167 . 16 1 1 A 14 14 ASP N N 14 117.814 120.247 -2.433 1
1 168 . 16 1 1 A 14 14 ASP H H 14 8.347 8.966 -0.619 1
1 169 . 16 1 1 A 14 14 ASP CA C 14 54.571 53.016 1.555 1
1 170 . 16 1 1 A 14 14 ASP HA H 14 4.633 5.654 -1.021 1
1 171 . 16 1 1 A 14 14 ASP CB C 14 41.136 42.591 -1.455 1
1 174 . 16 1 1 A 14 14 ASP C C 14 176.051 174.798 1.253 1
1 175 . 16 1 1 A 15 15 TYR N N 15 120.213 124.058 -3.845 1
1 176 . 16 1 1 A 15 15 TYR H H 15 8.748 9.172 -0.424 1
1 177 . 16 1 1 A 15 15 TYR CA C 15 59.454 56.520 2.934 1
1 178 . 16 1 1 A 15 15 TYR HA H 15 4.654 5.354 -0.700 1
1 179 . 16 1 1 A 15 15 TYR CB C 15 43.400 42.511 0.889 1
1 190 . 16 1 1 A 15 15 TYR C C 15 172.758 173.868 -1.110 1
1 191 . 16 1 1 A 16 16 GLN N N 16 126.986 123.304 3.682 1
1 192 . 16 1 1 A 16 16 GLN H H 16 7.558 8.030 -0.472 1
1 193 . 16 1 1 A 16 16 GLN CA C 16 53.534 53.644 -0.110 1
1 194 . 16 1 1 A 16 16 GLN HA H 16 4.500 5.051 -0.551 1
1 195 . 16 1 1 A 16 16 GLN CB C 16 29.071 32.419 -3.348 1
1 204 . 16 1 1 A 16 16 GLN C C 16 173.863 174.199 -0.336 1
1 205 . 16 1 1 A 17 17 GLU N N 17 123.063 120.475 2.588 1
1 206 . 16 1 1 A 17 17 GLU H H 17 7.979 8.058 -0.079 1
1 207 . 16 1 1 A 17 17 GLU CA C 17 55.935 55.481 0.454 1
1 208 . 16 1 1 A 17 17 GLU HA H 17 4.182 4.842 -0.660 1
1 209 . 16 1 1 A 17 17 GLU CB C 17 28.948 31.334 -2.386 1
1 215 . 16 1 1 A 17 17 GLU C C 17 175.899 176.579 -0.680 1
1 216 . 16 1 1 A 18 18 LYS N N 18 120.853 119.531 1.322 1
1 217 . 16 1 1 A 18 18 LYS H H 18 8.771 8.782 -0.011 1
1 218 . 16 1 1 A 18 18 LYS CA C 18 55.393 56.516 -1.123 1
1 219 . 16 1 1 A 18 18 LYS HA H 18 4.390 4.636 -0.246 1
1 220 . 16 1 1 A 18 18 LYS CB C 18 33.393 34.381 -0.988 1
1 232 . 16 1 1 A 18 18 LYS C C 18 176.138 176.035 0.103 1
1 233 . 16 1 1 A 19 19 SER N N 19 115.089 115.363 -0.274 1
1 234 . 16 1 1 A 19 19 SER H H 19 7.658 8.042 -0.384 1
1 235 . 16 1 1 A 19 19 SER CA C 19 56.821 55.859 0.962 1
1 236 . 16 1 1 A 19 19 SER HA H 19 4.863 4.779 0.084 1
1 237 . 16 1 1 A 19 19 SER CB C 19 64.208 64.712 -0.504 1
1 241 . 16 1 1 A 20 20 PRO CA C 20 64.803 64.328 0.475 1
1 242 . 16 1 1 A 20 20 PRO HA H 20 4.521 4.521 0.000 1
1 243 . 16 1 1 A 20 20 PRO CB C 20 31.657 31.705 -0.048 1
1 251 . 16 1 1 A 20 20 PRO C C 20 176.657 177.047 -0.390 1
1 252 . 16 1 1 A 21 21 ARG N N 21 113.827 116.010 -2.183 1
1 253 . 16 1 1 A 21 21 ARG H H 21 7.694 8.377 -0.683 1
1 254 . 16 1 1 A 21 21 ARG CA C 21 56.119 57.258 -1.139 1
1 255 . 16 1 1 A 21 21 ARG HA H 21 4.593 4.365 0.228 1
1 256 . 16 1 1 A 21 21 ARG CB C 21 30.299 31.174 -0.875 1
1 265 . 16 1 1 A 21 21 ARG C C 21 173.386 176.733 -3.347 1
1 266 . 16 1 1 A 22 22 GLU N N 22 121.389 120.623 0.766 1
1 267 . 16 1 1 A 22 22 GLU H H 22 7.850 7.962 -0.112 1
1 268 . 16 1 1 A 22 22 GLU CA C 22 54.951 56.351 -1.400 1
1 269 . 16 1 1 A 22 22 GLU HA H 22 5.487 4.632 0.855 1
1 270 . 16 1 1 A 22 22 GLU CB C 22 33.588 30.643 2.945 1
1 276 . 16 1 1 A 22 22 GLU C C 22 174.491 176.060 -1.569 1
1 277 . 16 1 1 A 23 23 VAL N N 23 113.069 118.940 -5.871 1
1 278 . 16 1 1 A 23 23 VAL H H 23 7.410 8.906 -1.496 1
1 279 . 16 1 1 A 23 23 VAL CA C 23 59.793 59.849 -0.056 1
1 280 . 16 1 1 A 23 23 VAL HA H 23 4.531 5.133 -0.602 1
1 281 . 16 1 1 A 23 23 VAL CB C 23 34.667 34.688 -0.021 1
1 291 . 16 1 1 A 23 23 VAL C C 23 172.541 174.656 -2.115 1
1 292 . 16 1 1 A 24 24 THR N N 24 118.283 120.707 -2.424 1
1 293 . 16 1 1 A 24 24 THR H H 24 7.362 8.716 -1.354 1
1 294 . 16 1 1 A 24 24 THR CA C 24 61.708 62.718 -1.010 1
1 295 . 16 1 1 A 24 24 THR HA H 24 5.085 4.636 0.449 1
1 296 . 16 1 1 A 24 24 THR CB C 24 70.934 69.051 1.883 1
1 302 . 16 1 1 A 24 24 THR C C 24 174.274 174.491 -0.217 1
1 303 . 16 1 1 A 25 25 MET N N 25 121.971 124.190 -2.219 1
1 304 . 16 1 1 A 25 25 MET H H 25 9.523 9.296 0.227 1
1 305 . 16 1 1 A 25 25 MET CA C 25 54.328 53.119 1.209 1
1 306 . 16 1 1 A 25 25 MET HA H 25 4.929 5.599 -0.670 1
1 307 . 16 1 1 A 25 25 MET CB C 25 36.287 35.922 0.365 1
1 317 . 16 1 1 A 25 25 MET C C 25 173.841 174.826 -0.985 1
1 318 . 16 1 1 A 26 26 LYS N N 26 124.399 119.494 4.905 1
1 319 . 16 1 1 A 26 26 LYS H H 26 8.820 8.799 0.021 1
1 320 . 16 1 1 A 26 26 LYS CA C 26 53.699 54.459 -0.760 1
1 321 . 16 1 1 A 26 26 LYS HA H 26 4.879 4.946 -0.067 1
1 322 . 16 1 1 A 26 26 LYS CB C 26 34.097 36.420 -2.323 1
1 332 . 16 1 1 A 26 26 LYS C C 26 174.968 176.479 -1.511 1
1 333 . 16 1 1 A 27 27 LYS N N 27 122.619 121.688 0.931 1
1 334 . 16 1 1 A 27 27 LYS H H 27 9.013 8.602 0.411 1
1 335 . 16 1 1 A 27 27 LYS CA C 27 58.078 57.086 0.992 1
1 336 . 16 1 1 A 27 27 LYS HA H 27 4.837 4.435 0.402 1
1 337 . 16 1 1 A 27 27 LYS CB C 27 32.269 31.976 0.293 1
1 349 . 16 1 1 A 27 27 LYS C C 27 177.307 177.017 0.290 1
1 350 . 16 1 1 A 28 28 GLY N N 28 115.785 113.323 2.462 1
1 351 . 16 1 1 A 28 28 GLY H H 28 8.902 8.943 -0.041 1
1 352 . 16 1 1 A 28 28 GLY CA C 28 44.564 45.120 -0.556 1
1 353 . 16 1 1 A 28 28 GLY HA2 H 28 3.538 4.035 -0.497 1
1 354 . 16 1 1 A 28 28 GLY HA3 H 28 4.481 4.038 0.443 1
1 355 . 16 1 1 A 28 28 GLY C C 28 174.014 174.532 -0.518 1
1 356 . 16 1 1 A 29 29 ASP N N 29 122.243 121.464 0.779 1
1 357 . 16 1 1 A 29 29 ASP H H 29 8.511 8.500 0.011 1
1 358 . 16 1 1 A 29 29 ASP CA C 29 55.353 54.781 0.572 1
1 359 . 16 1 1 A 29 29 ASP HA H 29 4.523 4.676 -0.153 1
1 360 . 16 1 1 A 29 29 ASP CB C 29 41.146 41.790 -0.644 1
1 363 . 16 1 1 A 29 29 ASP C C 29 174.274 174.713 -0.439 1
1 364 . 16 1 1 A 30 30 ILE N N 30 120.587 120.773 -0.186 1
1 365 . 16 1 1 A 30 30 ILE H H 30 8.227 8.470 -0.243 1
1 366 . 16 1 1 A 30 30 ILE CA C 30 60.366 60.504 -0.138 1
1 367 . 16 1 1 A 30 30 ILE HA H 30 5.036 5.331 -0.295 1
1 368 . 16 1 1 A 30 30 ILE CB C 30 38.210 41.199 -2.989 1
1 381 . 16 1 1 A 30 30 ILE C C 30 176.246 174.667 1.579 1
1 382 . 16 1 1 A 31 31 LEU N N 31 128.265 126.828 1.437 1
1 383 . 16 1 1 A 31 31 LEU H H 31 9.353 8.931 0.422 1
1 384 . 16 1 1 A 31 31 LEU CA C 31 53.414 53.282 0.132 1
1 385 . 16 1 1 A 31 31 LEU HA H 31 5.010 5.021 -0.011 1
1 386 . 16 1 1 A 31 31 LEU CB C 31 43.893 45.618 -1.725 1
1 397 . 16 1 1 A 31 31 LEU C C 31 175.596 175.435 0.161 1
1 398 . 16 1 1 A 32 32 THR N N 32 117.027 117.755 -0.728 1
1 399 . 16 1 1 A 32 32 THR H H 32 8.146 8.578 -0.432 1
1 400 . 16 1 1 A 32 32 THR CA C 32 63.046 62.236 0.810 1
1 401 . 16 1 1 A 32 32 THR HA H 32 4.629 4.862 -0.233 1
1 402 . 16 1 1 A 32 32 THR CB C 32 69.576 69.725 -0.149 1
1 408 . 16 1 1 A 32 32 THR C C 32 173.559 174.606 -1.047 1
1 409 . 16 1 1 A 33 33 LEU N N 33 129.212 128.660 0.552 1
1 410 . 16 1 1 A 33 33 LEU H H 33 9.070 8.685 0.385 1
1 411 . 16 1 1 A 33 33 LEU CA C 33 54.894 55.774 -0.880 1
1 412 . 16 1 1 A 33 33 LEU HA H 33 4.351 4.340 0.011 1
1 413 . 16 1 1 A 33 33 LEU CB C 33 43.191 42.092 1.099 1
1 426 . 16 1 1 A 33 33 LEU C C 33 174.513 176.257 -1.744 1
1 427 . 16 1 1 A 34 34 LEU N N 34 125.818 128.868 -3.050 1
1 428 . 16 1 1 A 34 34 LEU H H 34 9.060 8.824 0.236 1
1 429 . 16 1 1 A 34 34 LEU CA C 34 54.885 55.973 -1.088 1
1 430 . 16 1 1 A 34 34 LEU HA H 34 4.523 4.350 0.173 1
1 431 . 16 1 1 A 34 34 LEU CB C 34 42.990 43.150 -0.160 1
1 443 . 16 1 1 A 34 34 LEU C C 34 177.502 176.075 1.427 1
1 444 . 16 1 1 A 35 35 ASN N N 35 114.008 117.024 -3.016 1
1 445 . 16 1 1 A 35 35 ASN H H 35 7.617 7.983 -0.366 1
1 446 . 16 1 1 A 35 35 ASN CA C 35 54.502 52.032 2.470 1
1 447 . 16 1 1 A 35 35 ASN HA H 35 4.736 5.000 -0.264 1
1 448 . 16 1 1 A 35 35 ASN CB C 35 40.933 41.108 -0.175 1
1 454 . 16 1 1 A 35 35 ASN C C 35 174.318 174.649 -0.331 1
1 455 . 16 1 1 A 36 36 SER N N 36 123.608 117.920 5.688 1
1 456 . 16 1 1 A 36 36 SER H H 36 9.172 8.345 0.827 1
1 457 . 16 1 1 A 36 36 SER CA C 36 56.915 56.847 0.068 1
1 458 . 16 1 1 A 36 36 SER HA H 36 3.940 4.378 -0.438 1
1 459 . 16 1 1 A 36 36 SER CB C 36 62.042 62.840 -0.798 1
1 462 . 16 1 1 A 36 36 SER C C 36 173.364 175.294 -1.930 1
1 463 . 16 1 1 A 37 37 THR N N 37 115.130 116.162 -1.032 1
1 464 . 16 1 1 A 37 37 THR H H 37 8.184 7.733 0.451 1
1 465 . 16 1 1 A 37 37 THR CA C 37 65.381 65.305 0.076 1
1 466 . 16 1 1 A 37 37 THR HA H 37 3.980 3.946 0.034 1
1 467 . 16 1 1 A 37 37 THR CB C 37 69.489 69.266 0.223 1
1 473 . 16 1 1 A 37 37 THR C C 37 175.249 174.721 0.528 1
1 474 . 16 1 1 A 38 38 ASN N N 38 122.469 118.907 3.562 1
1 475 . 16 1 1 A 38 38 ASN H H 38 8.681 7.897 0.784 1
1 476 . 16 1 1 A 38 38 ASN CA C 38 53.337 52.311 1.026 1
1 477 . 16 1 1 A 38 38 ASN HA H 38 4.867 4.963 -0.096 1
1 478 . 16 1 1 A 38 38 ASN CB C 38 40.376 40.848 -0.472 1
1 484 . 16 1 1 A 38 38 ASN C C 38 174.599 175.002 -0.403 1
1 485 . 16 1 1 A 39 39 LYS N N 39 120.915 121.508 -0.593 1
1 486 . 16 1 1 A 39 39 LYS H H 39 8.516 8.951 -0.435 1
1 487 . 16 1 1 A 39 39 LYS CA C 39 58.333 56.258 2.075 1
1 488 . 16 1 1 A 39 39 LYS HA H 39 4.247 4.739 -0.492 1
1 489 . 16 1 1 A 39 39 LYS CB C 39 32.371 33.789 -1.418 1
1 499 . 16 1 1 A 39 39 LYS C C 39 176.268 176.948 -0.680 1
1 500 . 16 1 1 A 40 40 ASP N N 40 114.512 117.437 -2.925 1
1 501 . 16 1 1 A 40 40 ASP H H 40 8.210 7.859 0.351 1
1 502 . 16 1 1 A 40 40 ASP CA C 40 55.083 55.634 -0.551 1
1 503 . 16 1 1 A 40 40 ASP HA H 40 4.544 4.427 0.117 1
1 504 . 16 1 1 A 40 40 ASP CB C 40 43.014 42.109 0.905 1
1 507 . 16 1 1 A 40 40 ASP C C 40 176.852 175.750 1.102 1
1 508 . 16 1 1 A 41 41 TRP N N 41 122.703 116.388 6.315 1
1 509 . 16 1 1 A 41 41 TRP H H 41 8.212 8.018 0.194 1
1 510 . 16 1 1 A 41 41 TRP CA C 41 56.005 56.163 -0.158 1
1 511 . 16 1 1 A 41 41 TRP HA H 41 5.078 5.200 -0.122 1
1 512 . 16 1 1 A 41 41 TRP CB C 41 32.019 30.307 1.712 1
1 527 . 16 1 1 A 41 41 TRP C C 41 174.166 176.010 -1.844 1
1 528 . 16 1 1 A 42 42 TRP N N 42 124.905 124.615 0.290 1
1 529 . 16 1 1 A 42 42 TRP H H 42 9.380 9.478 -0.098 1
1 530 . 16 1 1 A 42 42 TRP CA C 42 53.861 55.779 -1.918 1
1 531 . 16 1 1 A 42 42 TRP HA H 42 5.523 5.184 0.339 1
1 532 . 16 1 1 A 42 42 TRP CB C 42 31.543 31.511 0.032 1
1 547 . 16 1 1 A 42 42 TRP C C 42 174.144 175.871 -1.727 1
1 548 . 16 1 1 A 43 43 LYS N N 43 124.120 124.051 0.069 1
1 549 . 16 1 1 A 43 43 LYS H H 43 8.896 9.023 -0.127 1
1 550 . 16 1 1 A 43 43 LYS CA C 43 55.231 55.758 -0.527 1
1 551 . 16 1 1 A 43 43 LYS HA H 43 4.396 5.038 -0.642 1
1 552 . 16 1 1 A 43 43 LYS CB C 43 34.366 33.571 0.795 1
1 564 . 16 1 1 A 43 43 LYS C C 43 175.423 176.182 -0.759 1
1 565 . 16 1 1 A 44 44 VAL N N 44 121.984 117.704 4.280 1
1 566 . 16 1 1 A 44 44 VAL H H 44 9.430 8.881 0.549 1
1 567 . 16 1 1 A 44 44 VAL CA C 44 58.751 58.719 0.032 1
1 568 . 16 1 1 A 44 44 VAL HA H 44 5.375 5.114 0.261 1
1 569 . 16 1 1 A 44 44 VAL CB C 44 36.378 35.620 0.758 1
1 579 . 16 1 1 A 44 44 VAL C C 44 173.234 173.604 -0.370 1
1 580 . 16 1 1 A 45 45 GLU N N 45 118.425 122.659 -4.234 1
1 581 . 16 1 1 A 45 45 GLU H H 45 8.757 9.230 -0.473 1
1 582 . 16 1 1 A 45 45 GLU CA C 45 54.139 55.096 -0.957 1
1 583 . 16 1 1 A 45 45 GLU HA H 45 5.423 5.320 0.103 1
1 584 . 16 1 1 A 45 45 GLU CB C 45 32.891 31.939 0.952 1
1 590 . 16 1 1 A 45 45 GLU C C 45 174.621 175.902 -1.281 1
1 591 . 16 1 1 A 46 46 VAL N N 46 123.694 120.057 3.637 1
1 592 . 16 1 1 A 46 46 VAL H H 46 9.089 8.979 0.110 1
1 593 . 16 1 1 A 46 46 VAL CA C 46 59.627 59.231 0.396 1
1 594 . 16 1 1 A 46 46 VAL HA H 46 4.669 5.064 -0.395 1
1 595 . 16 1 1 A 46 46 VAL CB C 46 35.290 36.015 -0.725 1
1 604 . 16 1 1 A 46 46 VAL C C 46 173.234 173.499 -0.265 1
1 605 . 16 1 1 A 47 47 LYS N N 47 124.893 121.802 3.091 1
1 606 . 16 1 1 A 47 47 LYS H H 47 8.455 8.674 -0.219 1
1 607 . 16 1 1 A 47 47 LYS CA C 47 55.404 54.730 0.674 1
1 608 . 16 1 1 A 47 47 LYS HA H 47 5.022 5.123 -0.101 1
1 609 . 16 1 1 A 47 47 LYS CB C 47 33.959 34.956 -0.997 1
1 619 . 16 1 1 A 47 47 LYS C C 47 175.899 174.989 0.910 1
1 620 . 16 1 1 A 48 48 ILE N N 48 124.447 128.537 -4.090 1
1 621 . 16 1 1 A 48 48 ILE H H 48 8.989 9.226 -0.237 1
1 622 . 16 1 1 A 48 48 ILE CA C 48 59.646 59.940 -0.294 1
1 623 . 16 1 1 A 48 48 ILE HA H 48 4.529 4.857 -0.328 1
1 624 . 16 1 1 A 48 48 ILE CB C 48 41.170 39.402 1.768 1
1 637 . 16 1 1 A 48 48 ILE C C 48 174.144 174.863 -0.719 1
1 638 . 16 1 1 A 49 49 THR N N 49 121.012 123.033 -2.021 1
1 639 . 16 1 1 A 49 49 THR H H 49 8.570 9.006 -0.436 1
1 640 . 16 1 1 A 49 49 THR CA C 49 61.301 62.185 -0.884 1
1 641 . 16 1 1 A 49 49 THR HA H 49 5.272 5.072 0.200 1
1 642 . 16 1 1 A 49 49 THR CB C 49 69.853 69.572 0.281 1
1 648 . 16 1 1 A 49 49 THR C C 49 174.318 173.976 0.342 1
1 649 . 16 1 1 A 50 50 VAL N N 50 126.754 126.711 0.043 1
1 650 . 16 1 1 A 50 50 VAL H H 50 9.104 9.194 -0.090 1
1 651 . 16 1 1 A 50 50 VAL CA C 50 61.070 61.442 -0.372 1
1 652 . 16 1 1 A 50 50 VAL HA H 50 4.292 4.583 -0.291 1
1 653 . 16 1 1 A 50 50 VAL CB C 50 34.452 34.597 -0.145 1
1 663 . 16 1 1 A 50 50 VAL C C 50 175.899 176.369 -0.470 1
1 664 . 16 1 1 A 51 51 ASN N N 51 127.590 126.183 1.407 1
1 665 . 16 1 1 A 51 51 ASN H H 51 9.619 9.591 0.028 1
1 666 . 16 1 1 A 51 51 ASN CA C 51 54.177 54.297 -0.120 1
1 667 . 16 1 1 A 51 51 ASN HA H 51 4.390 4.418 -0.028 1
1 668 . 16 1 1 A 51 51 ASN CB C 51 37.413 37.461 -0.048 1
1 671 . 16 1 1 A 51 51 ASN C C 51 175.249 174.779 0.470 1
1 672 . 16 1 1 A 52 52 GLY N N 52 102.845 103.448 -0.603 1
1 673 . 16 1 1 A 52 52 GLY H H 52 8.535 8.699 -0.164 1
1 674 . 16 1 1 A 52 52 GLY CA C 52 45.443 45.559 -0.116 1
1 675 . 16 1 1 A 52 52 GLY HA2 H 52 3.555 3.888 -0.333 1
1 676 . 16 1 1 A 52 52 GLY HA3 H 52 4.120 3.888 0.232 1
1 677 . 16 1 1 A 52 52 GLY C C 52 176.398 173.799 2.599 1
1 678 . 16 1 1 A 53 53 LYS N N 53 121.989 120.656 1.333 1
1 679 . 16 1 1 A 53 53 LYS H H 53 7.849 7.963 -0.114 1
1 680 . 16 1 1 A 53 53 LYS CA C 53 54.807 54.482 0.325 1
1 681 . 16 1 1 A 53 53 LYS HA H 53 4.641 4.497 0.144 1
1 682 . 16 1 1 A 53 53 LYS CB C 53 34.440 34.494 -0.054 1
1 694 . 16 1 1 A 53 53 LYS C C 53 174.513 175.818 -1.305 1
1 695 . 16 1 1 A 54 54 THR N N 54 118.860 116.609 2.251 1
1 696 . 16 1 1 A 54 54 THR H H 54 8.445 8.554 -0.109 1
1 697 . 16 1 1 A 54 54 THR CA C 54 62.074 61.657 0.417 1
1 698 . 16 1 1 A 54 54 THR HA H 54 5.167 4.387 0.780 1
1 699 . 16 1 1 A 54 54 THR CB C 54 70.071 69.633 0.438 1
1 705 . 16 1 1 A 54 54 THR C C 54 173.689 173.770 -0.081 1
1 706 . 16 1 1 A 55 55 TYR N N 55 125.966 122.090 3.876 1
1 707 . 16 1 1 A 55 55 TYR H H 55 9.319 9.383 -0.064 1
1 708 . 16 1 1 A 55 55 TYR CA C 55 56.507 56.217 0.290 1
1 709 . 16 1 1 A 55 55 TYR HA H 55 4.767 5.064 -0.297 1
1 710 . 16 1 1 A 55 55 TYR CB C 55 40.591 42.389 -1.798 1
1 721 . 16 1 1 A 55 55 TYR C C 55 173.538 175.356 -1.818 1
1 722 . 16 1 1 A 56 56 GLU N N 56 119.827 121.289 -1.462 1
1 723 . 16 1 1 A 56 56 GLU H H 56 8.568 8.849 -0.281 1
1 724 . 16 1 1 A 56 56 GLU CA C 56 54.503 55.142 -0.639 1
1 725 . 16 1 1 A 56 56 GLU HA H 56 5.247 5.431 -0.184 1
1 726 . 16 1 1 A 56 56 GLU CB C 56 30.297 32.830 -2.533 1
1 732 . 16 1 1 A 56 56 GLU C C 56 175.726 175.522 0.204 1
1 733 . 16 1 1 A 57 57 ARG N N 57 123.399 120.351 3.048 1
1 734 . 16 1 1 A 57 57 ARG H H 57 8.971 8.295 0.676 1
1 735 . 16 1 1 A 57 57 ARG CA C 57 54.944 55.023 -0.079 1
1 736 . 16 1 1 A 57 57 ARG HA H 57 4.710 5.053 -0.343 1
1 737 . 16 1 1 A 57 57 ARG CB C 57 33.362 34.044 -0.682 1
1 746 . 16 1 1 A 57 57 ARG C C 57 174.166 174.084 0.082 1
1 747 . 16 1 1 A 58 58 GLN N N 58 120.188 119.533 0.655 1
1 748 . 16 1 1 A 58 58 GLN H H 58 8.634 8.539 0.095 1
1 749 . 16 1 1 A 58 58 GLN CA C 58 53.251 54.615 -1.364 1
1 750 . 16 1 1 A 58 58 GLN HA H 58 5.602 5.292 0.310 1
1 751 . 16 1 1 A 58 58 GLN CB C 58 31.229 31.349 -0.120 1
1 760 . 16 1 1 A 58 58 GLN C C 58 175.726 174.964 0.762 1
1 761 . 16 1 1 A 59 59 GLY N N 59 107.196 108.048 -0.852 1
1 762 . 16 1 1 A 59 59 GLY H H 59 8.644 8.875 -0.231 1
1 763 . 16 1 1 A 59 59 GLY CA C 59 45.583 44.358 1.225 1
1 764 . 16 1 1 A 59 59 GLY HA2 H 59 3.947 4.132 -0.185 1
1 765 . 16 1 1 A 59 59 GLY HA3 H 59 3.947 4.340 -0.393 1
1 766 . 16 1 1 A 59 59 GLY C C 59 170.223 171.646 -1.423 1
1 767 . 16 1 1 A 60 60 PHE N N 60 119.079 119.510 -0.431 1
1 768 . 16 1 1 A 60 60 PHE H H 60 9.178 8.603 0.575 1
1 769 . 16 1 1 A 60 60 PHE CA C 60 58.544 57.915 0.629 1
1 770 . 16 1 1 A 60 60 PHE HA H 60 5.668 5.151 0.517 1
1 771 . 16 1 1 A 60 60 PHE CB C 60 42.484 40.720 1.764 1
1 784 . 16 1 1 A 60 60 PHE C C 60 175.423 175.889 -0.466 1
1 785 . 16 1 1 A 61 61 VAL N N 61 111.060 117.421 -6.361 1
1 786 . 16 1 1 A 61 61 VAL H H 61 9.089 8.977 0.112 1
1 787 . 16 1 1 A 61 61 VAL CA C 61 58.189 58.290 -0.101 1
1 788 . 16 1 1 A 61 61 VAL HA H 61 4.833 4.906 -0.073 1
1 789 . 16 1 1 A 61 61 VAL CB C 61 33.744 34.849 -1.105 1
1 800 . 16 1 1 A 62 62 PRO CA C 62 61.852 62.186 -0.334 1
1 801 . 16 1 1 A 62 62 PRO HA H 62 3.572 4.378 -0.806 1
1 802 . 16 1 1 A 62 62 PRO CB C 62 29.704 30.943 -1.239 1
1 810 . 16 1 1 A 62 62 PRO C C 62 177.719 177.548 0.171 1
1 811 . 16 1 1 A 63 63 ALA N N 63 129.142 128.560 0.582 1
1 812 . 16 1 1 A 63 63 ALA H H 63 7.477 8.475 -0.998 1
1 813 . 16 1 1 A 63 63 ALA CA C 63 54.472 54.584 -0.112 1
1 814 . 16 1 1 A 63 63 ALA HA H 63 2.655 3.763 -1.108 1
1 818 . 16 1 1 A 63 63 ALA CB C 63 15.740 17.028 -1.288 1
1 819 . 16 1 1 A 63 63 ALA C C 63 178.434 179.665 -1.231 1
1 820 . 16 1 1 A 64 64 ALA N N 64 113.410 119.193 -5.783 1
1 821 . 16 1 1 A 64 64 ALA H H 64 7.857 8.160 -0.303 1
1 822 . 16 1 1 A 64 64 ALA CA C 64 52.991 54.202 -1.211 1
1 823 . 16 1 1 A 64 64 ALA HA H 64 4.006 4.001 0.005 1
1 827 . 16 1 1 A 64 64 ALA CB C 64 17.605 18.285 -0.680 1
1 828 . 16 1 1 A 64 64 ALA C C 64 178.109 178.021 0.088 1
1 829 . 16 1 1 A 65 65 TYR N N 65 116.059 116.636 -0.577 1
1 830 . 16 1 1 A 65 65 TYR H H 65 7.705 8.022 -0.317 1
1 831 . 16 1 1 A 65 65 TYR CA C 65 56.477 58.650 -2.173 1
1 832 . 16 1 1 A 65 65 TYR HA H 65 4.758 4.739 0.019 1
1 833 . 16 1 1 A 65 65 TYR CB C 65 37.765 39.106 -1.341 1
1 844 . 16 1 1 A 65 65 TYR C C 65 174.361 175.744 -1.383 1
1 845 . 16 1 1 A 66 66 VAL N N 66 111.003 114.915 -3.912 1
1 846 . 16 1 1 A 66 66 VAL H H 66 7.422 7.555 -0.133 1
1 847 . 16 1 1 A 66 66 VAL CA C 66 58.268 59.015 -0.747 1
1 848 . 16 1 1 A 66 66 VAL HA H 66 5.547 4.951 0.596 1
1 849 . 16 1 1 A 66 66 VAL CB C 66 35.809 36.668 -0.859 1
1 859 . 16 1 1 A 66 66 VAL C C 66 173.538 173.817 -0.279 1
1 860 . 16 1 1 A 67 67 LYS N N 67 118.514 119.002 -0.488 1
1 861 . 16 1 1 A 67 67 LYS H H 67 8.636 8.985 -0.349 1
1 862 . 16 1 1 A 67 67 LYS CA C 67 53.828 54.672 -0.844 1
1 863 . 16 1 1 A 67 67 LYS HA H 67 4.840 5.042 -0.202 1
1 864 . 16 1 1 A 67 67 LYS CB C 67 36.636 35.649 0.987 1
1 876 . 16 1 1 A 67 67 LYS C C 67 176.029 175.254 0.775 1
1 877 . 16 1 1 A 68 68 LYS N N 68 125.817 121.259 4.558 1
1 878 . 16 1 1 A 68 68 LYS H H 68 9.246 8.837 0.409 1
1 879 . 16 1 1 A 68 68 LYS CA C 68 58.514 56.747 1.767 1
1 880 . 16 1 1 A 68 68 LYS HA H 68 4.494 4.470 0.024 1
1 881 . 16 1 1 A 68 68 LYS CB C 68 32.893 32.754 0.139 1
1 891 . 16 1 1 A 68 68 LYS C C 68 176.679 177.285 -0.606 1
1 892 . 16 1 1 A 69 69 LEU N N 69 125.294 126.209 -0.915 1
1 893 . 16 1 1 A 69 69 LEU H H 69 8.506 8.977 -0.471 1
1 894 . 16 1 1 A 69 69 LEU CA C 69 54.873 56.867 -1.994 1
1 895 . 16 1 1 A 69 69 LEU HA H 69 4.429 4.303 0.126 1
1 896 . 16 1 1 A 69 69 LEU CB C 69 42.631 42.072 0.559 1
1 909 . 16 1 1 A 69 69 LEU C C 69 176.203 177.564 -1.361 1
1 10 . 17 1 1 A 2 2 ASP N N 2 123.392 124.260 -0.868 1
1 11 . 17 1 1 A 2 2 ASP H H 2 8.830 9.143 -0.313 1
1 12 . 17 1 1 A 2 2 ASP CA C 2 54.029 53.080 0.949 1
1 13 . 17 1 1 A 2 2 ASP HA H 2 4.699 4.887 -0.188 1
1 14 . 17 1 1 A 2 2 ASP CB C 2 40.198 41.254 -1.056 1
1 17 . 17 1 1 A 2 2 ASP C C 2 175.639 176.223 -0.584 1
1 18 . 17 1 1 A 3 3 GLU N N 3 121.824 120.555 1.269 1
1 19 . 17 1 1 A 3 3 GLU H H 3 8.663 7.795 0.868 1
1 20 . 17 1 1 A 3 3 GLU CA C 3 56.162 55.180 0.982 1
1 21 . 17 1 1 A 3 3 GLU HA H 3 4.406 4.593 -0.187 1
1 22 . 17 1 1 A 3 3 GLU CB C 3 28.702 30.394 -1.692 1
1 28 . 17 1 1 A 3 3 GLU C C 3 176.354 176.973 -0.619 1
1 29 . 17 1 1 A 4 4 THR N N 4 114.607 116.733 -2.126 1
1 30 . 17 1 1 A 4 4 THR H H 4 8.285 7.554 0.731 1
1 31 . 17 1 1 A 4 4 THR CA C 4 62.425 64.875 -2.450 1
1 32 . 17 1 1 A 4 4 THR HA H 4 4.267 4.210 0.057 1
1 33 . 17 1 1 A 4 4 THR CB C 4 69.672 69.492 0.180 1
1 39 . 17 1 1 A 4 4 THR C C 4 175.271 174.738 0.533 1
1 40 . 17 1 1 A 5 5 GLY N N 5 111.345 109.211 2.134 1
1 41 . 17 1 1 A 5 5 GLY H H 5 8.436 8.156 0.280 1
1 42 . 17 1 1 A 5 5 GLY CA C 5 45.297 46.748 -1.451 1
1 43 . 17 1 1 A 5 5 GLY HA2 H 5 3.942 3.906 0.036 1
1 44 . 17 1 1 A 5 5 GLY HA3 H 5 3.942 3.907 0.035 1
1 45 . 17 1 1 A 5 5 GLY C C 5 173.668 174.434 -0.766 1
1 46 . 17 1 1 A 6 6 LYS N N 6 119.783 117.327 2.456 1
1 47 . 17 1 1 A 6 6 LYS H H 6 8.017 8.203 -0.186 1
1 48 . 17 1 1 A 6 6 LYS CA C 6 55.538 57.023 -1.485 1
1 49 . 17 1 1 A 6 6 LYS HA H 6 4.387 4.463 -0.076 1
1 50 . 17 1 1 A 6 6 LYS CB C 6 33.257 35.284 -2.027 1
1 62 . 17 1 1 A 6 6 LYS C C 6 176.029 177.005 -0.976 1
1 63 . 17 1 1 A 7 7 GLU N N 7 122.414 114.864 7.550 1
1 64 . 17 1 1 A 7 7 GLU H H 7 8.584 8.045 0.539 1
1 65 . 17 1 1 A 7 7 GLU CA C 7 55.404 55.495 -0.091 1
1 66 . 17 1 1 A 7 7 GLU HA H 7 4.495 4.555 -0.060 1
1 67 . 17 1 1 A 7 7 GLU CB C 7 30.382 29.544 0.838 1
1 73 . 17 1 1 A 7 7 GLU C C 7 174.014 176.016 -2.002 1
1 74 . 17 1 1 A 8 8 LEU N N 8 122.989 124.565 -1.576 1
1 75 . 17 1 1 A 8 8 LEU H H 8 8.414 8.499 -0.085 1
1 76 . 17 1 1 A 8 8 LEU CA C 8 53.188 53.839 -0.651 1
1 77 . 17 1 1 A 8 8 LEU HA H 8 5.381 5.207 0.174 1
1 78 . 17 1 1 A 8 8 LEU CB C 8 45.173 43.742 1.431 1
1 90 . 17 1 1 A 8 8 LEU C C 8 177.329 176.570 0.759 1
1 91 . 17 1 1 A 9 9 VAL N N 9 111.709 120.081 -8.372 1
1 92 . 17 1 1 A 9 9 VAL H H 9 9.125 9.423 -0.298 1
1 93 . 17 1 1 A 9 9 VAL CA C 9 57.854 59.571 -1.717 1
1 94 . 17 1 1 A 9 9 VAL HA H 9 5.232 5.037 0.195 1
1 95 . 17 1 1 A 9 9 VAL CB C 9 35.864 34.387 1.477 1
1 105 . 17 1 1 A 9 9 VAL C C 9 172.368 173.930 -1.562 1
1 106 . 17 1 1 A 10 10 LEU N N 10 123.520 127.333 -3.813 1
1 107 . 17 1 1 A 10 10 LEU H H 10 8.989 9.191 -0.202 1
1 108 . 17 1 1 A 10 10 LEU CA C 10 52.445 53.383 -0.938 1
1 109 . 17 1 1 A 10 10 LEU HA H 10 5.113 5.323 -0.210 1
1 110 . 17 1 1 A 10 10 LEU CB C 10 46.776 44.670 2.106 1
1 123 . 17 1 1 A 10 10 LEU C C 10 176.549 176.020 0.529 1
1 124 . 17 1 1 A 11 11 ALA N N 11 127.272 128.398 -1.126 1
1 125 . 17 1 1 A 11 11 ALA H H 11 9.163 8.884 0.279 1
1 126 . 17 1 1 A 11 11 ALA CA C 11 52.416 52.292 0.124 1
1 127 . 17 1 1 A 11 11 ALA HA H 11 4.602 4.495 0.107 1
1 131 . 17 1 1 A 11 11 ALA CB C 11 19.274 18.854 0.420 1
1 132 . 17 1 1 A 11 11 ALA C C 11 178.282 176.719 1.563 1
1 133 . 17 1 1 A 12 12 LEU N N 12 127.769 124.695 3.074 1
1 134 . 17 1 1 A 12 12 LEU H H 12 9.257 9.398 -0.141 1
1 135 . 17 1 1 A 12 12 LEU CA C 12 55.442 55.553 -0.111 1
1 136 . 17 1 1 A 12 12 LEU HA H 12 3.898 4.446 -0.548 1
1 137 . 17 1 1 A 12 12 LEU CB C 12 43.110 43.089 0.021 1
1 150 . 17 1 1 A 12 12 LEU C C 12 174.946 176.345 -1.399 1
1 151 . 17 1 1 A 13 13 TYR N N 13 111.673 116.867 -5.194 1
1 152 . 17 1 1 A 13 13 TYR H H 13 7.129 8.007 -0.878 1
1 153 . 17 1 1 A 13 13 TYR CA C 13 54.720 56.465 -1.745 1
1 154 . 17 1 1 A 13 13 TYR HA H 13 4.633 5.090 -0.457 1
1 155 . 17 1 1 A 13 13 TYR CB C 13 43.043 42.273 0.770 1
1 166 . 17 1 1 A 13 13 TYR C C 13 173.668 174.974 -1.306 1
1 167 . 17 1 1 A 14 14 ASP N N 14 117.814 121.457 -3.643 1
1 168 . 17 1 1 A 14 14 ASP H H 14 8.347 8.856 -0.509 1
1 169 . 17 1 1 A 14 14 ASP CA C 14 54.571 53.309 1.262 1
1 170 . 17 1 1 A 14 14 ASP HA H 14 4.633 5.329 -0.696 1
1 171 . 17 1 1 A 14 14 ASP CB C 14 41.136 42.430 -1.294 1
1 174 . 17 1 1 A 14 14 ASP C C 14 176.051 175.003 1.048 1
1 175 . 17 1 1 A 15 15 TYR N N 15 120.213 123.926 -3.713 1
1 176 . 17 1 1 A 15 15 TYR H H 15 8.748 9.135 -0.387 1
1 177 . 17 1 1 A 15 15 TYR CA C 15 59.454 56.828 2.626 1
1 178 . 17 1 1 A 15 15 TYR HA H 15 4.654 5.415 -0.761 1
1 179 . 17 1 1 A 15 15 TYR CB C 15 43.400 42.416 0.984 1
1 190 . 17 1 1 A 15 15 TYR C C 15 172.758 174.030 -1.272 1
1 191 . 17 1 1 A 16 16 GLN N N 16 126.986 121.718 5.268 1
1 192 . 17 1 1 A 16 16 GLN H H 16 7.558 7.909 -0.351 1
1 193 . 17 1 1 A 16 16 GLN CA C 16 53.534 53.842 -0.308 1
1 194 . 17 1 1 A 16 16 GLN HA H 16 4.500 4.980 -0.480 1
1 195 . 17 1 1 A 16 16 GLN CB C 16 29.071 32.251 -3.180 1
1 204 . 17 1 1 A 16 16 GLN C C 16 173.863 174.262 -0.399 1
1 205 . 17 1 1 A 17 17 GLU N N 17 123.063 121.624 1.439 1
1 206 . 17 1 1 A 17 17 GLU H H 17 7.979 8.646 -0.667 1
1 207 . 17 1 1 A 17 17 GLU CA C 17 55.935 56.761 -0.826 1
1 208 . 17 1 1 A 17 17 GLU HA H 17 4.182 4.460 -0.278 1
1 209 . 17 1 1 A 17 17 GLU CB C 17 28.948 29.792 -0.844 1
1 215 . 17 1 1 A 17 17 GLU C C 17 175.899 176.851 -0.952 1
1 216 . 17 1 1 A 18 18 LYS N N 18 120.853 120.200 0.653 1
1 217 . 17 1 1 A 18 18 LYS H H 18 8.771 8.844 -0.073 1
1 218 . 17 1 1 A 18 18 LYS CA C 18 55.393 56.528 -1.135 1
1 219 . 17 1 1 A 18 18 LYS HA H 18 4.390 4.589 -0.199 1
1 220 . 17 1 1 A 18 18 LYS CB C 18 33.393 34.455 -1.062 1
1 232 . 17 1 1 A 18 18 LYS C C 18 176.138 176.271 -0.133 1
1 233 . 17 1 1 A 19 19 SER N N 19 115.089 115.583 -0.494 1
1 234 . 17 1 1 A 19 19 SER H H 19 7.658 7.971 -0.313 1
1 235 . 17 1 1 A 19 19 SER CA C 19 56.821 56.752 0.069 1
1 236 . 17 1 1 A 19 19 SER HA H 19 4.863 4.613 0.250 1
1 237 . 17 1 1 A 19 19 SER CB C 19 64.208 64.193 0.015 1
1 241 . 17 1 1 A 20 20 PRO CA C 20 64.803 64.447 0.356 1
1 242 . 17 1 1 A 20 20 PRO HA H 20 4.521 4.530 -0.009 1
1 243 . 17 1 1 A 20 20 PRO CB C 20 31.657 31.751 -0.094 1
1 251 . 17 1 1 A 20 20 PRO C C 20 176.657 177.614 -0.957 1
1 252 . 17 1 1 A 21 21 ARG N N 21 113.827 117.258 -3.431 1
1 253 . 17 1 1 A 21 21 ARG H H 21 7.694 8.169 -0.475 1
1 254 . 17 1 1 A 21 21 ARG CA C 21 56.119 56.941 -0.822 1
1 255 . 17 1 1 A 21 21 ARG HA H 21 4.593 4.545 0.048 1
1 256 . 17 1 1 A 21 21 ARG CB C 21 30.299 31.185 -0.886 1
1 265 . 17 1 1 A 21 21 ARG C C 21 173.386 176.942 -3.556 1
1 266 . 17 1 1 A 22 22 GLU N N 22 121.389 119.255 2.134 1
1 267 . 17 1 1 A 22 22 GLU H H 22 7.850 7.910 -0.060 1
1 268 . 17 1 1 A 22 22 GLU CA C 22 54.951 56.803 -1.852 1
1 269 . 17 1 1 A 22 22 GLU HA H 22 5.487 4.608 0.879 1
1 270 . 17 1 1 A 22 22 GLU CB C 22 33.588 30.157 3.431 1
1 276 . 17 1 1 A 22 22 GLU C C 22 174.491 176.080 -1.589 1
1 277 . 17 1 1 A 23 23 VAL N N 23 113.069 120.293 -7.224 1
1 278 . 17 1 1 A 23 23 VAL H H 23 7.410 8.961 -1.551 1
1 279 . 17 1 1 A 23 23 VAL CA C 23 59.793 60.138 -0.345 1
1 280 . 17 1 1 A 23 23 VAL HA H 23 4.531 4.915 -0.384 1
1 281 . 17 1 1 A 23 23 VAL CB C 23 34.667 34.417 0.250 1
1 291 . 17 1 1 A 23 23 VAL C C 23 172.541 175.362 -2.821 1
1 292 . 17 1 1 A 24 24 THR N N 24 118.283 118.819 -0.536 1
1 293 . 17 1 1 A 24 24 THR H H 24 7.362 8.787 -1.425 1
1 294 . 17 1 1 A 24 24 THR CA C 24 61.708 61.988 -0.280 1
1 295 . 17 1 1 A 24 24 THR HA H 24 5.085 4.858 0.227 1
1 296 . 17 1 1 A 24 24 THR CB C 24 70.934 70.607 0.327 1
1 302 . 17 1 1 A 24 24 THR C C 24 174.274 174.378 -0.104 1
1 303 . 17 1 1 A 25 25 MET N N 25 121.971 122.262 -0.291 1
1 304 . 17 1 1 A 25 25 MET H H 25 9.523 8.945 0.578 1
1 305 . 17 1 1 A 25 25 MET CA C 25 54.328 54.091 0.237 1
1 306 . 17 1 1 A 25 25 MET HA H 25 4.929 5.347 -0.418 1
1 307 . 17 1 1 A 25 25 MET CB C 25 36.287 35.867 0.420 1
1 317 . 17 1 1 A 25 25 MET C C 25 173.841 173.639 0.202 1
1 318 . 17 1 1 A 26 26 LYS N N 26 124.399 124.604 -0.205 1
1 319 . 17 1 1 A 26 26 LYS H H 26 8.820 9.040 -0.220 1
1 320 . 17 1 1 A 26 26 LYS CA C 26 53.699 54.263 -0.564 1
1 321 . 17 1 1 A 26 26 LYS HA H 26 4.879 5.149 -0.270 1
1 322 . 17 1 1 A 26 26 LYS CB C 26 34.097 35.939 -1.842 1
1 332 . 17 1 1 A 26 26 LYS C C 26 174.968 175.793 -0.825 1
1 333 . 17 1 1 A 27 27 LYS N N 27 122.619 125.536 -2.917 1
1 334 . 17 1 1 A 27 27 LYS H H 27 9.013 8.757 0.256 1
1 335 . 17 1 1 A 27 27 LYS CA C 27 58.078 58.839 -0.761 1
1 336 . 17 1 1 A 27 27 LYS HA H 27 4.837 4.088 0.749 1
1 337 . 17 1 1 A 27 27 LYS CB C 27 32.269 32.249 0.020 1
1 349 . 17 1 1 A 27 27 LYS C C 27 177.307 177.339 -0.032 1
1 350 . 17 1 1 A 28 28 GLY N N 28 115.785 112.676 3.109 1
1 351 . 17 1 1 A 28 28 GLY H H 28 8.902 8.992 -0.090 1
1 352 . 17 1 1 A 28 28 GLY CA C 28 44.564 45.024 -0.460 1
1 353 . 17 1 1 A 28 28 GLY HA2 H 28 3.538 4.022 -0.484 1
1 354 . 17 1 1 A 28 28 GLY HA3 H 28 4.481 4.023 0.458 1
1 355 . 17 1 1 A 28 28 GLY C C 28 174.014 174.043 -0.029 1
1 356 . 17 1 1 A 29 29 ASP N N 29 122.243 121.529 0.714 1
1 357 . 17 1 1 A 29 29 ASP H H 29 8.511 8.423 0.088 1
1 358 . 17 1 1 A 29 29 ASP CA C 29 55.353 54.235 1.118 1
1 359 . 17 1 1 A 29 29 ASP HA H 29 4.523 4.713 -0.190 1
1 360 . 17 1 1 A 29 29 ASP CB C 29 41.146 42.274 -1.128 1
1 363 . 17 1 1 A 29 29 ASP C C 29 174.274 175.777 -1.503 1
1 364 . 17 1 1 A 30 30 ILE N N 30 120.587 123.678 -3.091 1
1 365 . 17 1 1 A 30 30 ILE H H 30 8.227 8.396 -0.169 1
1 366 . 17 1 1 A 30 30 ILE CA C 30 60.366 60.477 -0.111 1
1 367 . 17 1 1 A 30 30 ILE HA H 30 5.036 5.324 -0.288 1
1 368 . 17 1 1 A 30 30 ILE CB C 30 38.210 41.880 -3.670 1
1 381 . 17 1 1 A 30 30 ILE C C 30 176.246 174.838 1.408 1
1 382 . 17 1 1 A 31 31 LEU N N 31 128.265 126.683 1.582 1
1 383 . 17 1 1 A 31 31 LEU H H 31 9.353 8.949 0.404 1
1 384 . 17 1 1 A 31 31 LEU CA C 31 53.414 53.370 0.044 1
1 385 . 17 1 1 A 31 31 LEU HA H 31 5.010 5.034 -0.024 1
1 386 . 17 1 1 A 31 31 LEU CB C 31 43.893 45.845 -1.952 1
1 397 . 17 1 1 A 31 31 LEU C C 31 175.596 175.456 0.140 1
1 398 . 17 1 1 A 32 32 THR N N 32 117.027 117.663 -0.636 1
1 399 . 17 1 1 A 32 32 THR H H 32 8.146 8.582 -0.436 1
1 400 . 17 1 1 A 32 32 THR CA C 32 63.046 62.179 0.867 1
1 401 . 17 1 1 A 32 32 THR HA H 32 4.629 4.901 -0.272 1
1 402 . 17 1 1 A 32 32 THR CB C 32 69.576 69.671 -0.095 1
1 408 . 17 1 1 A 32 32 THR C C 32 173.559 174.656 -1.097 1
1 409 . 17 1 1 A 33 33 LEU N N 33 129.212 128.734 0.478 1
1 410 . 17 1 1 A 33 33 LEU H H 33 9.070 8.625 0.445 1
1 411 . 17 1 1 A 33 33 LEU CA C 33 54.894 55.907 -1.013 1
1 412 . 17 1 1 A 33 33 LEU HA H 33 4.351 4.326 0.025 1
1 413 . 17 1 1 A 33 33 LEU CB C 33 43.191 42.114 1.077 1
1 426 . 17 1 1 A 33 33 LEU C C 33 174.513 176.379 -1.866 1
1 427 . 17 1 1 A 34 34 LEU N N 34 125.818 129.939 -4.121 1
1 428 . 17 1 1 A 34 34 LEU H H 34 9.060 9.047 0.013 1
1 429 . 17 1 1 A 34 34 LEU CA C 34 54.885 55.773 -0.888 1
1 430 . 17 1 1 A 34 34 LEU HA H 34 4.523 4.476 0.047 1
1 431 . 17 1 1 A 34 34 LEU CB C 34 42.990 43.122 -0.132 1
1 443 . 17 1 1 A 34 34 LEU C C 34 177.502 175.932 1.570 1
1 444 . 17 1 1 A 35 35 ASN N N 35 114.008 116.946 -2.938 1
1 445 . 17 1 1 A 35 35 ASN H H 35 7.617 8.018 -0.401 1
1 446 . 17 1 1 A 35 35 ASN CA C 35 54.502 52.235 2.267 1
1 447 . 17 1 1 A 35 35 ASN HA H 35 4.736 5.005 -0.269 1
1 448 . 17 1 1 A 35 35 ASN CB C 35 40.933 40.976 -0.043 1
1 454 . 17 1 1 A 35 35 ASN C C 35 174.318 174.506 -0.188 1
1 455 . 17 1 1 A 36 36 SER N N 36 123.608 118.040 5.568 1
1 456 . 17 1 1 A 36 36 SER H H 36 9.172 8.334 0.838 1
1 457 . 17 1 1 A 36 36 SER CA C 36 56.915 56.752 0.163 1
1 458 . 17 1 1 A 36 36 SER HA H 36 3.940 4.389 -0.449 1
1 459 . 17 1 1 A 36 36 SER CB C 36 62.042 62.705 -0.663 1
1 462 . 17 1 1 A 36 36 SER C C 36 173.364 175.313 -1.949 1
1 463 . 17 1 1 A 37 37 THR N N 37 115.130 115.752 -0.622 1
1 464 . 17 1 1 A 37 37 THR H H 37 8.184 7.673 0.511 1
1 465 . 17 1 1 A 37 37 THR CA C 37 65.381 65.488 -0.107 1
1 466 . 17 1 1 A 37 37 THR HA H 37 3.980 4.013 -0.033 1
1 467 . 17 1 1 A 37 37 THR CB C 37 69.489 69.185 0.304 1
1 473 . 17 1 1 A 37 37 THR C C 37 175.249 174.672 0.577 1
1 474 . 17 1 1 A 38 38 ASN N N 38 122.469 118.796 3.673 1
1 475 . 17 1 1 A 38 38 ASN H H 38 8.681 7.998 0.683 1
1 476 . 17 1 1 A 38 38 ASN CA C 38 53.337 52.202 1.135 1
1 477 . 17 1 1 A 38 38 ASN HA H 38 4.867 5.024 -0.157 1
1 478 . 17 1 1 A 38 38 ASN CB C 38 40.376 40.684 -0.308 1
1 484 . 17 1 1 A 38 38 ASN C C 38 174.599 176.060 -1.461 1
1 485 . 17 1 1 A 39 39 LYS N N 39 120.915 121.355 -0.440 1
1 486 . 17 1 1 A 39 39 LYS H H 39 8.516 8.538 -0.022 1
1 487 . 17 1 1 A 39 39 LYS CA C 39 58.333 57.102 1.231 1
1 488 . 17 1 1 A 39 39 LYS HA H 39 4.247 4.768 -0.521 1
1 489 . 17 1 1 A 39 39 LYS CB C 39 32.371 34.062 -1.691 1
1 499 . 17 1 1 A 39 39 LYS C C 39 176.268 177.403 -1.135 1
1 500 . 17 1 1 A 40 40 ASP N N 40 114.512 117.823 -3.311 1
1 501 . 17 1 1 A 40 40 ASP H H 40 8.210 7.878 0.332 1
1 502 . 17 1 1 A 40 40 ASP CA C 40 55.083 55.624 -0.541 1
1 503 . 17 1 1 A 40 40 ASP HA H 40 4.544 4.409 0.135 1
1 504 . 17 1 1 A 40 40 ASP CB C 40 43.014 42.193 0.821 1
1 507 . 17 1 1 A 40 40 ASP C C 40 176.852 175.818 1.034 1
1 508 . 17 1 1 A 41 41 TRP N N 41 122.703 116.403 6.300 1
1 509 . 17 1 1 A 41 41 TRP H H 41 8.212 8.023 0.189 1
1 510 . 17 1 1 A 41 41 TRP CA C 41 56.005 56.195 -0.190 1
1 511 . 17 1 1 A 41 41 TRP HA H 41 5.078 5.134 -0.056 1
1 512 . 17 1 1 A 41 41 TRP CB C 41 32.019 30.137 1.882 1
1 527 . 17 1 1 A 41 41 TRP C C 41 174.166 175.901 -1.735 1
1 528 . 17 1 1 A 42 42 TRP N N 42 124.905 124.744 0.161 1
1 529 . 17 1 1 A 42 42 TRP H H 42 9.380 9.474 -0.094 1
1 530 . 17 1 1 A 42 42 TRP CA C 42 53.861 55.681 -1.820 1
1 531 . 17 1 1 A 42 42 TRP HA H 42 5.523 5.148 0.375 1
1 532 . 17 1 1 A 42 42 TRP CB C 42 31.543 31.239 0.304 1
1 547 . 17 1 1 A 42 42 TRP C C 42 174.144 175.929 -1.785 1
1 548 . 17 1 1 A 43 43 LYS N N 43 124.120 123.103 1.017 1
1 549 . 17 1 1 A 43 43 LYS H H 43 8.896 9.197 -0.301 1
1 550 . 17 1 1 A 43 43 LYS CA C 43 55.231 55.638 -0.407 1
1 551 . 17 1 1 A 43 43 LYS HA H 43 4.396 4.725 -0.329 1
1 552 . 17 1 1 A 43 43 LYS CB C 43 34.366 33.091 1.275 1
1 564 . 17 1 1 A 43 43 LYS C C 43 175.423 176.065 -0.642 1
1 565 . 17 1 1 A 44 44 VAL N N 44 121.984 117.763 4.221 1
1 566 . 17 1 1 A 44 44 VAL H H 44 9.430 8.929 0.501 1
1 567 . 17 1 1 A 44 44 VAL CA C 44 58.751 58.658 0.093 1
1 568 . 17 1 1 A 44 44 VAL HA H 44 5.375 5.168 0.207 1
1 569 . 17 1 1 A 44 44 VAL CB C 44 36.378 35.574 0.804 1
1 579 . 17 1 1 A 44 44 VAL C C 44 173.234 173.376 -0.142 1
1 580 . 17 1 1 A 45 45 GLU N N 45 118.425 122.385 -3.960 1
1 581 . 17 1 1 A 45 45 GLU H H 45 8.757 9.274 -0.517 1
1 582 . 17 1 1 A 45 45 GLU CA C 45 54.139 54.856 -0.717 1
1 583 . 17 1 1 A 45 45 GLU HA H 45 5.423 5.410 0.013 1
1 584 . 17 1 1 A 45 45 GLU CB C 45 32.891 32.903 -0.012 1
1 590 . 17 1 1 A 45 45 GLU C C 45 174.621 175.718 -1.097 1
1 591 . 17 1 1 A 46 46 VAL N N 46 123.694 120.391 3.303 1
1 592 . 17 1 1 A 46 46 VAL H H 46 9.089 9.107 -0.018 1
1 593 . 17 1 1 A 46 46 VAL CA C 46 59.627 59.346 0.281 1
1 594 . 17 1 1 A 46 46 VAL HA H 46 4.669 5.108 -0.439 1
1 595 . 17 1 1 A 46 46 VAL CB C 46 35.290 35.800 -0.510 1
1 604 . 17 1 1 A 46 46 VAL C C 46 173.234 173.621 -0.387 1
1 605 . 17 1 1 A 47 47 LYS N N 47 124.893 121.608 3.285 1
1 606 . 17 1 1 A 47 47 LYS H H 47 8.455 8.609 -0.154 1
1 607 . 17 1 1 A 47 47 LYS CA C 47 55.404 54.687 0.717 1
1 608 . 17 1 1 A 47 47 LYS HA H 47 5.022 5.414 -0.392 1
1 609 . 17 1 1 A 47 47 LYS CB C 47 33.959 35.996 -2.037 1
1 619 . 17 1 1 A 47 47 LYS C C 47 175.899 174.854 1.045 1
1 620 . 17 1 1 A 48 48 ILE N N 48 124.447 126.581 -2.134 1
1 621 . 17 1 1 A 48 48 ILE H H 48 8.989 9.105 -0.116 1
1 622 . 17 1 1 A 48 48 ILE CA C 48 59.646 59.840 -0.194 1
1 623 . 17 1 1 A 48 48 ILE HA H 48 4.529 5.018 -0.489 1
1 624 . 17 1 1 A 48 48 ILE CB C 48 41.170 41.614 -0.444 1
1 637 . 17 1 1 A 48 48 ILE C C 48 174.144 174.846 -0.702 1
1 638 . 17 1 1 A 49 49 THR N N 49 121.012 123.235 -2.223 1
1 639 . 17 1 1 A 49 49 THR H H 49 8.570 8.680 -0.110 1
1 640 . 17 1 1 A 49 49 THR CA C 49 61.301 61.909 -0.608 1
1 641 . 17 1 1 A 49 49 THR HA H 49 5.272 5.376 -0.104 1
1 642 . 17 1 1 A 49 49 THR CB C 49 69.853 70.281 -0.428 1
1 648 . 17 1 1 A 49 49 THR C C 49 174.318 173.951 0.367 1
1 649 . 17 1 1 A 50 50 VAL N N 50 126.754 126.386 0.368 1
1 650 . 17 1 1 A 50 50 VAL H H 50 9.104 9.188 -0.084 1
1 651 . 17 1 1 A 50 50 VAL CA C 50 61.070 61.343 -0.273 1
1 652 . 17 1 1 A 50 50 VAL HA H 50 4.292 4.490 -0.198 1
1 653 . 17 1 1 A 50 50 VAL CB C 50 34.452 34.419 0.033 1
1 663 . 17 1 1 A 50 50 VAL C C 50 175.899 176.308 -0.409 1
1 664 . 17 1 1 A 51 51 ASN N N 51 127.590 126.146 1.444 1
1 665 . 17 1 1 A 51 51 ASN H H 51 9.619 9.530 0.089 1
1 666 . 17 1 1 A 51 51 ASN CA C 51 54.177 54.228 -0.051 1
1 667 . 17 1 1 A 51 51 ASN HA H 51 4.390 4.421 -0.031 1
1 668 . 17 1 1 A 51 51 ASN CB C 51 37.413 37.481 -0.068 1
1 671 . 17 1 1 A 51 51 ASN C C 51 175.249 174.673 0.576 1
1 672 . 17 1 1 A 52 52 GLY N N 52 102.845 104.063 -1.218 1
1 673 . 17 1 1 A 52 52 GLY H H 52 8.535 8.679 -0.144 1
1 674 . 17 1 1 A 52 52 GLY CA C 52 45.443 45.416 0.027 1
1 675 . 17 1 1 A 52 52 GLY HA2 H 52 3.555 3.874 -0.319 1
1 676 . 17 1 1 A 52 52 GLY HA3 H 52 4.120 3.879 0.241 1
1 677 . 17 1 1 A 52 52 GLY C C 52 176.398 173.743 2.655 1
1 678 . 17 1 1 A 53 53 LYS N N 53 121.989 120.263 1.726 1
1 679 . 17 1 1 A 53 53 LYS H H 53 7.849 8.196 -0.347 1
1 680 . 17 1 1 A 53 53 LYS CA C 53 54.807 54.173 0.634 1
1 681 . 17 1 1 A 53 53 LYS HA H 53 4.641 4.588 0.053 1
1 682 . 17 1 1 A 53 53 LYS CB C 53 34.440 34.426 0.014 1
1 694 . 17 1 1 A 53 53 LYS C C 53 174.513 175.687 -1.174 1
1 695 . 17 1 1 A 54 54 THR N N 54 118.860 113.038 5.822 1
1 696 . 17 1 1 A 54 54 THR H H 54 8.445 8.470 -0.025 1
1 697 . 17 1 1 A 54 54 THR CA C 54 62.074 61.017 1.057 1
1 698 . 17 1 1 A 54 54 THR HA H 54 5.167 4.987 0.180 1
1 699 . 17 1 1 A 54 54 THR CB C 54 70.071 70.224 -0.153 1
1 705 . 17 1 1 A 54 54 THR C C 54 173.689 173.498 0.191 1
1 706 . 17 1 1 A 55 55 TYR N N 55 125.966 122.183 3.783 1
1 707 . 17 1 1 A 55 55 TYR H H 55 9.319 9.526 -0.207 1
1 708 . 17 1 1 A 55 55 TYR CA C 55 56.507 56.201 0.306 1
1 709 . 17 1 1 A 55 55 TYR HA H 55 4.767 5.136 -0.369 1
1 710 . 17 1 1 A 55 55 TYR CB C 55 40.591 43.238 -2.647 1
1 721 . 17 1 1 A 55 55 TYR C C 55 173.538 174.914 -1.376 1
1 722 . 17 1 1 A 56 56 GLU N N 56 119.827 120.975 -1.148 1
1 723 . 17 1 1 A 56 56 GLU H H 56 8.568 8.872 -0.304 1
1 724 . 17 1 1 A 56 56 GLU CA C 56 54.503 55.103 -0.600 1
1 725 . 17 1 1 A 56 56 GLU HA H 56 5.247 5.273 -0.026 1
1 726 . 17 1 1 A 56 56 GLU CB C 56 30.297 33.252 -2.955 1
1 732 . 17 1 1 A 56 56 GLU C C 56 175.726 175.292 0.434 1
1 733 . 17 1 1 A 57 57 ARG N N 57 123.399 119.659 3.740 1
1 734 . 17 1 1 A 57 57 ARG H H 57 8.971 8.388 0.583 1
1 735 . 17 1 1 A 57 57 ARG CA C 57 54.944 55.002 -0.058 1
1 736 . 17 1 1 A 57 57 ARG HA H 57 4.710 5.082 -0.372 1
1 737 . 17 1 1 A 57 57 ARG CB C 57 33.362 34.069 -0.707 1
1 746 . 17 1 1 A 57 57 ARG C C 57 174.166 174.092 0.074 1
1 747 . 17 1 1 A 58 58 GLN N N 58 120.188 119.719 0.469 1
1 748 . 17 1 1 A 58 58 GLN H H 58 8.634 8.646 -0.012 1
1 749 . 17 1 1 A 58 58 GLN CA C 58 53.251 54.783 -1.532 1
1 750 . 17 1 1 A 58 58 GLN HA H 58 5.602 5.393 0.209 1
1 751 . 17 1 1 A 58 58 GLN CB C 58 31.229 31.190 0.039 1
1 760 . 17 1 1 A 58 58 GLN C C 58 175.726 174.616 1.110 1
1 761 . 17 1 1 A 59 59 GLY N N 59 107.196 108.699 -1.503 1
1 762 . 17 1 1 A 59 59 GLY H H 59 8.644 9.012 -0.368 1
1 763 . 17 1 1 A 59 59 GLY CA C 59 45.583 44.540 1.043 1
1 764 . 17 1 1 A 59 59 GLY HA2 H 59 3.947 4.382 -0.435 1
1 765 . 17 1 1 A 59 59 GLY HA3 H 59 3.947 4.440 -0.493 1
1 766 . 17 1 1 A 59 59 GLY C C 59 170.223 172.020 -1.797 1
1 767 . 17 1 1 A 60 60 PHE N N 60 119.079 119.240 -0.161 1
1 768 . 17 1 1 A 60 60 PHE H H 60 9.178 8.953 0.225 1
1 769 . 17 1 1 A 60 60 PHE CA C 60 58.544 58.239 0.305 1
1 770 . 17 1 1 A 60 60 PHE HA H 60 5.668 5.055 0.613 1
1 771 . 17 1 1 A 60 60 PHE CB C 60 42.484 40.721 1.763 1
1 784 . 17 1 1 A 60 60 PHE C C 60 175.423 175.749 -0.326 1
1 785 . 17 1 1 A 61 61 VAL N N 61 111.060 116.382 -5.322 1
1 786 . 17 1 1 A 61 61 VAL H H 61 9.089 8.999 0.090 1
1 787 . 17 1 1 A 61 61 VAL CA C 61 58.189 58.543 -0.354 1
1 788 . 17 1 1 A 61 61 VAL HA H 61 4.833 4.773 0.060 1
1 789 . 17 1 1 A 61 61 VAL CB C 61 33.744 35.017 -1.273 1
1 800 . 17 1 1 A 62 62 PRO CA C 62 61.852 62.189 -0.337 1
1 801 . 17 1 1 A 62 62 PRO HA H 62 3.572 4.297 -0.725 1
1 802 . 17 1 1 A 62 62 PRO CB C 62 29.704 30.967 -1.263 1
1 810 . 17 1 1 A 62 62 PRO C C 62 177.719 177.410 0.309 1
1 811 . 17 1 1 A 63 63 ALA N N 63 129.142 128.268 0.874 1
1 812 . 17 1 1 A 63 63 ALA H H 63 7.477 8.403 -0.926 1
1 813 . 17 1 1 A 63 63 ALA CA C 63 54.472 54.462 0.010 1
1 814 . 17 1 1 A 63 63 ALA HA H 63 2.655 3.712 -1.057 1
1 818 . 17 1 1 A 63 63 ALA CB C 63 15.740 17.045 -1.305 1
1 819 . 17 1 1 A 63 63 ALA C C 63 178.434 179.509 -1.075 1
1 820 . 17 1 1 A 64 64 ALA N N 64 113.410 119.384 -5.974 1
1 821 . 17 1 1 A 64 64 ALA H H 64 7.857 8.063 -0.206 1
1 822 . 17 1 1 A 64 64 ALA CA C 64 52.991 54.126 -1.135 1
1 823 . 17 1 1 A 64 64 ALA HA H 64 4.006 3.985 0.021 1
1 827 . 17 1 1 A 64 64 ALA CB C 64 17.605 18.125 -0.520 1
1 828 . 17 1 1 A 64 64 ALA C C 64 178.109 178.171 -0.062 1
1 829 . 17 1 1 A 65 65 TYR N N 65 116.059 116.774 -0.715 1
1 830 . 17 1 1 A 65 65 TYR H H 65 7.705 7.922 -0.217 1
1 831 . 17 1 1 A 65 65 TYR CA C 65 56.477 58.016 -1.539 1
1 832 . 17 1 1 A 65 65 TYR HA H 65 4.758 4.490 0.268 1
1 833 . 17 1 1 A 65 65 TYR CB C 65 37.765 39.135 -1.370 1
1 844 . 17 1 1 A 65 65 TYR C C 65 174.361 175.499 -1.138 1
1 845 . 17 1 1 A 66 66 VAL N N 66 111.003 115.426 -4.423 1
1 846 . 17 1 1 A 66 66 VAL H H 66 7.422 7.619 -0.197 1
1 847 . 17 1 1 A 66 66 VAL CA C 66 58.268 59.067 -0.799 1
1 848 . 17 1 1 A 66 66 VAL HA H 66 5.547 5.041 0.506 1
1 849 . 17 1 1 A 66 66 VAL CB C 66 35.809 36.701 -0.892 1
1 859 . 17 1 1 A 66 66 VAL C C 66 173.538 173.722 -0.184 1
1 860 . 17 1 1 A 67 67 LYS N N 67 118.514 119.210 -0.696 1
1 861 . 17 1 1 A 67 67 LYS H H 67 8.636 8.965 -0.329 1
1 862 . 17 1 1 A 67 67 LYS CA C 67 53.828 54.489 -0.661 1
1 863 . 17 1 1 A 67 67 LYS HA H 67 4.840 5.065 -0.225 1
1 864 . 17 1 1 A 67 67 LYS CB C 67 36.636 36.097 0.539 1
1 876 . 17 1 1 A 67 67 LYS C C 67 176.029 174.510 1.519 1
1 877 . 17 1 1 A 68 68 LYS N N 68 125.817 123.334 2.483 1
1 878 . 17 1 1 A 68 68 LYS H H 68 9.246 8.790 0.456 1
1 879 . 17 1 1 A 68 68 LYS CA C 68 58.514 56.987 1.527 1
1 880 . 17 1 1 A 68 68 LYS HA H 68 4.494 4.387 0.107 1
1 881 . 17 1 1 A 68 68 LYS CB C 68 32.893 33.200 -0.307 1
1 891 . 17 1 1 A 68 68 LYS C C 68 176.679 177.235 -0.556 1
1 892 . 17 1 1 A 69 69 LEU N N 69 125.294 129.387 -4.093 1
1 893 . 17 1 1 A 69 69 LEU H H 69 8.506 8.977 -0.471 1
1 894 . 17 1 1 A 69 69 LEU CA C 69 54.873 57.701 -2.828 1
1 895 . 17 1 1 A 69 69 LEU HA H 69 4.429 4.185 0.244 1
1 896 . 17 1 1 A 69 69 LEU CB C 69 42.631 41.911 0.720 1
1 909 . 17 1 1 A 69 69 LEU C C 69 176.203 178.606 -2.403 1
1 10 . 18 1 1 A 2 2 ASP N N 2 123.392 127.091 -3.699 1
1 11 . 18 1 1 A 2 2 ASP H H 2 8.830 9.004 -0.174 1
1 12 . 18 1 1 A 2 2 ASP CA C 2 54.029 53.080 0.949 1
1 13 . 18 1 1 A 2 2 ASP HA H 2 4.699 5.025 -0.326 1
1 14 . 18 1 1 A 2 2 ASP CB C 2 40.198 40.715 -0.517 1
1 17 . 18 1 1 A 2 2 ASP C C 2 175.639 175.951 -0.312 1
1 18 . 18 1 1 A 3 3 GLU N N 3 121.824 120.814 1.010 1
1 19 . 18 1 1 A 3 3 GLU H H 3 8.663 7.971 0.692 1
1 20 . 18 1 1 A 3 3 GLU CA C 3 56.162 55.664 0.498 1
1 21 . 18 1 1 A 3 3 GLU HA H 3 4.406 4.652 -0.246 1
1 22 . 18 1 1 A 3 3 GLU CB C 3 28.702 30.435 -1.733 1
1 28 . 18 1 1 A 3 3 GLU C C 3 176.354 176.702 -0.348 1
1 29 . 18 1 1 A 4 4 THR N N 4 114.607 111.806 2.801 1
1 30 . 18 1 1 A 4 4 THR H H 4 8.285 7.672 0.613 1
1 31 . 18 1 1 A 4 4 THR CA C 4 62.425 60.929 1.496 1
1 32 . 18 1 1 A 4 4 THR HA H 4 4.267 4.654 -0.387 1
1 33 . 18 1 1 A 4 4 THR CB C 4 69.672 69.352 0.320 1
1 39 . 18 1 1 A 4 4 THR C C 4 175.271 175.334 -0.063 1
1 40 . 18 1 1 A 5 5 GLY N N 5 111.345 110.224 1.121 1
1 41 . 18 1 1 A 5 5 GLY H H 5 8.436 8.018 0.418 1
1 42 . 18 1 1 A 5 5 GLY CA C 5 45.297 45.630 -0.333 1
1 43 . 18 1 1 A 5 5 GLY HA2 H 5 3.942 4.030 -0.088 1
1 44 . 18 1 1 A 5 5 GLY HA3 H 5 3.942 4.030 -0.088 1
1 45 . 18 1 1 A 5 5 GLY C C 5 173.668 175.039 -1.371 1
1 46 . 18 1 1 A 6 6 LYS N N 6 119.783 119.053 0.730 1
1 47 . 18 1 1 A 6 6 LYS H H 6 8.017 7.700 0.317 1
1 48 . 18 1 1 A 6 6 LYS CA C 6 55.538 58.732 -3.194 1
1 49 . 18 1 1 A 6 6 LYS HA H 6 4.387 4.182 0.205 1
1 50 . 18 1 1 A 6 6 LYS CB C 6 33.257 33.092 0.165 1
1 62 . 18 1 1 A 6 6 LYS C C 6 176.029 176.738 -0.709 1
1 63 . 18 1 1 A 7 7 GLU N N 7 122.414 117.237 5.177 1
1 64 . 18 1 1 A 7 7 GLU H H 7 8.584 7.960 0.624 1
1 65 . 18 1 1 A 7 7 GLU CA C 7 55.404 55.376 0.028 1
1 66 . 18 1 1 A 7 7 GLU HA H 7 4.495 4.593 -0.098 1
1 67 . 18 1 1 A 7 7 GLU CB C 7 30.382 30.471 -0.089 1
1 73 . 18 1 1 A 7 7 GLU C C 7 174.014 175.015 -1.001 1
1 74 . 18 1 1 A 8 8 LEU N N 8 122.989 125.921 -2.932 1
1 75 . 18 1 1 A 8 8 LEU H H 8 8.414 8.795 -0.381 1
1 76 . 18 1 1 A 8 8 LEU CA C 8 53.188 53.876 -0.688 1
1 77 . 18 1 1 A 8 8 LEU HA H 8 5.381 5.076 0.305 1
1 78 . 18 1 1 A 8 8 LEU CB C 8 45.173 43.034 2.139 1
1 90 . 18 1 1 A 8 8 LEU C C 8 177.329 176.405 0.924 1
1 91 . 18 1 1 A 9 9 VAL N N 9 111.709 117.990 -6.281 1
1 92 . 18 1 1 A 9 9 VAL H H 9 9.125 9.072 0.053 1
1 93 . 18 1 1 A 9 9 VAL CA C 9 57.854 59.096 -1.242 1
1 94 . 18 1 1 A 9 9 VAL HA H 9 5.232 4.906 0.326 1
1 95 . 18 1 1 A 9 9 VAL CB C 9 35.864 35.584 0.280 1
1 105 . 18 1 1 A 9 9 VAL C C 9 172.368 173.725 -1.357 1
1 106 . 18 1 1 A 10 10 LEU N N 10 123.520 126.535 -3.015 1
1 107 . 18 1 1 A 10 10 LEU H H 10 8.989 8.977 0.012 1
1 108 . 18 1 1 A 10 10 LEU CA C 10 52.445 53.528 -1.083 1
1 109 . 18 1 1 A 10 10 LEU HA H 10 5.113 5.176 -0.063 1
1 110 . 18 1 1 A 10 10 LEU CB C 10 46.776 44.814 1.962 1
1 123 . 18 1 1 A 10 10 LEU C C 10 176.549 175.403 1.146 1
1 124 . 18 1 1 A 11 11 ALA N N 11 127.272 128.071 -0.799 1
1 125 . 18 1 1 A 11 11 ALA H H 11 9.163 9.018 0.145 1
1 126 . 18 1 1 A 11 11 ALA CA C 11 52.416 51.738 0.678 1
1 127 . 18 1 1 A 11 11 ALA HA H 11 4.602 4.543 0.059 1
1 131 . 18 1 1 A 11 11 ALA CB C 11 19.274 19.560 -0.286 1
1 132 . 18 1 1 A 11 11 ALA C C 11 178.282 177.088 1.194 1
1 133 . 18 1 1 A 12 12 LEU N N 12 127.769 124.960 2.809 1
1 134 . 18 1 1 A 12 12 LEU H H 12 9.257 9.093 0.164 1
1 135 . 18 1 1 A 12 12 LEU CA C 12 55.442 55.898 -0.456 1
1 136 . 18 1 1 A 12 12 LEU HA H 12 3.898 4.346 -0.448 1
1 137 . 18 1 1 A 12 12 LEU CB C 12 43.110 42.588 0.522 1
1 150 . 18 1 1 A 12 12 LEU C C 12 174.946 176.668 -1.722 1
1 151 . 18 1 1 A 13 13 TYR N N 13 111.673 115.804 -4.131 1
1 152 . 18 1 1 A 13 13 TYR H H 13 7.129 8.091 -0.962 1
1 153 . 18 1 1 A 13 13 TYR CA C 13 54.720 56.584 -1.864 1
1 154 . 18 1 1 A 13 13 TYR HA H 13 4.633 5.145 -0.512 1
1 155 . 18 1 1 A 13 13 TYR CB C 13 43.043 42.135 0.908 1
1 166 . 18 1 1 A 13 13 TYR C C 13 173.668 174.344 -0.676 1
1 167 . 18 1 1 A 14 14 ASP N N 14 117.814 121.205 -3.391 1
1 168 . 18 1 1 A 14 14 ASP H H 14 8.347 9.042 -0.695 1
1 169 . 18 1 1 A 14 14 ASP CA C 14 54.571 52.546 2.025 1
1 170 . 18 1 1 A 14 14 ASP HA H 14 4.633 5.445 -0.812 1
1 171 . 18 1 1 A 14 14 ASP CB C 14 41.136 41.771 -0.635 1
1 174 . 18 1 1 A 14 14 ASP C C 14 176.051 174.558 1.493 1
1 175 . 18 1 1 A 15 15 TYR N N 15 120.213 128.218 -8.005 1
1 176 . 18 1 1 A 15 15 TYR H H 15 8.748 9.546 -0.798 1
1 177 . 18 1 1 A 15 15 TYR CA C 15 59.454 57.995 1.459 1
1 178 . 18 1 1 A 15 15 TYR HA H 15 4.654 5.089 -0.435 1
1 179 . 18 1 1 A 15 15 TYR CB C 15 43.400 40.691 2.709 1
1 190 . 18 1 1 A 15 15 TYR C C 15 172.758 174.795 -2.037 1
1 191 . 18 1 1 A 16 16 GLN N N 16 126.986 122.856 4.130 1
1 192 . 18 1 1 A 16 16 GLN H H 16 7.558 8.099 -0.541 1
1 193 . 18 1 1 A 16 16 GLN CA C 16 53.534 53.660 -0.126 1
1 194 . 18 1 1 A 16 16 GLN HA H 16 4.500 4.912 -0.412 1
1 195 . 18 1 1 A 16 16 GLN CB C 16 29.071 31.869 -2.798 1
1 204 . 18 1 1 A 16 16 GLN C C 16 173.863 174.122 -0.259 1
1 205 . 18 1 1 A 17 17 GLU N N 17 123.063 121.366 1.697 1
1 206 . 18 1 1 A 17 17 GLU H H 17 7.979 8.162 -0.183 1
1 207 . 18 1 1 A 17 17 GLU CA C 17 55.935 56.019 -0.084 1
1 208 . 18 1 1 A 17 17 GLU HA H 17 4.182 4.545 -0.363 1
1 209 . 18 1 1 A 17 17 GLU CB C 17 28.948 30.163 -1.215 1
1 215 . 18 1 1 A 17 17 GLU C C 17 175.899 176.014 -0.115 1
1 216 . 18 1 1 A 18 18 LYS N N 18 120.853 124.241 -3.388 1
1 217 . 18 1 1 A 18 18 LYS H H 18 8.771 8.971 -0.200 1
1 218 . 18 1 1 A 18 18 LYS CA C 18 55.393 57.344 -1.951 1
1 219 . 18 1 1 A 18 18 LYS HA H 18 4.390 4.315 0.075 1
1 220 . 18 1 1 A 18 18 LYS CB C 18 33.393 33.835 -0.442 1
1 232 . 18 1 1 A 18 18 LYS C C 18 176.138 175.805 0.333 1
1 233 . 18 1 1 A 19 19 SER N N 19 115.089 111.992 3.097 1
1 234 . 18 1 1 A 19 19 SER H H 19 7.658 7.943 -0.285 1
1 235 . 18 1 1 A 19 19 SER CA C 19 56.821 55.901 0.920 1
1 236 . 18 1 1 A 19 19 SER HA H 19 4.863 4.852 0.011 1
1 237 . 18 1 1 A 19 19 SER CB C 19 64.208 64.765 -0.557 1
1 241 . 18 1 1 A 20 20 PRO CA C 20 64.803 64.317 0.486 1
1 242 . 18 1 1 A 20 20 PRO HA H 20 4.521 4.508 0.013 1
1 243 . 18 1 1 A 20 20 PRO CB C 20 31.657 31.729 -0.072 1
1 251 . 18 1 1 A 20 20 PRO C C 20 176.657 177.404 -0.747 1
1 252 . 18 1 1 A 21 21 ARG N N 21 113.827 116.758 -2.931 1
1 253 . 18 1 1 A 21 21 ARG H H 21 7.694 8.359 -0.665 1
1 254 . 18 1 1 A 21 21 ARG CA C 21 56.119 57.258 -1.139 1
1 255 . 18 1 1 A 21 21 ARG HA H 21 4.593 4.309 0.284 1
1 256 . 18 1 1 A 21 21 ARG CB C 21 30.299 31.264 -0.965 1
1 265 . 18 1 1 A 21 21 ARG C C 21 173.386 177.024 -3.638 1
1 266 . 18 1 1 A 22 22 GLU N N 22 121.389 117.756 3.633 1
1 267 . 18 1 1 A 22 22 GLU H H 22 7.850 7.946 -0.096 1
1 268 . 18 1 1 A 22 22 GLU CA C 22 54.951 55.335 -0.384 1
1 269 . 18 1 1 A 22 22 GLU HA H 22 5.487 4.741 0.746 1
1 270 . 18 1 1 A 22 22 GLU CB C 22 33.588 30.986 2.602 1
1 276 . 18 1 1 A 22 22 GLU C C 22 174.491 175.856 -1.365 1
1 277 . 18 1 1 A 23 23 VAL N N 23 113.069 119.070 -6.001 1
1 278 . 18 1 1 A 23 23 VAL H H 23 7.410 8.845 -1.435 1
1 279 . 18 1 1 A 23 23 VAL CA C 23 59.793 59.677 0.116 1
1 280 . 18 1 1 A 23 23 VAL HA H 23 4.531 5.029 -0.498 1
1 281 . 18 1 1 A 23 23 VAL CB C 23 34.667 35.097 -0.430 1
1 291 . 18 1 1 A 23 23 VAL C C 23 172.541 174.496 -1.955 1
1 292 . 18 1 1 A 24 24 THR N N 24 118.283 118.343 -0.060 1
1 293 . 18 1 1 A 24 24 THR H H 24 7.362 8.638 -1.276 1
1 294 . 18 1 1 A 24 24 THR CA C 24 61.708 62.127 -0.419 1
1 295 . 18 1 1 A 24 24 THR HA H 24 5.085 4.989 0.096 1
1 296 . 18 1 1 A 24 24 THR CB C 24 70.934 70.237 0.697 1
1 302 . 18 1 1 A 24 24 THR C C 24 174.274 174.265 0.009 1
1 303 . 18 1 1 A 25 25 MET N N 25 121.971 124.260 -2.289 1
1 304 . 18 1 1 A 25 25 MET H H 25 9.523 9.263 0.260 1
1 305 . 18 1 1 A 25 25 MET CA C 25 54.328 53.405 0.923 1
1 306 . 18 1 1 A 25 25 MET HA H 25 4.929 5.537 -0.608 1
1 307 . 18 1 1 A 25 25 MET CB C 25 36.287 34.863 1.424 1
1 317 . 18 1 1 A 25 25 MET C C 25 173.841 174.955 -1.114 1
1 318 . 18 1 1 A 26 26 LYS N N 26 124.399 123.970 0.429 1
1 319 . 18 1 1 A 26 26 LYS H H 26 8.820 8.815 0.005 1
1 320 . 18 1 1 A 26 26 LYS CA C 26 53.699 54.192 -0.493 1
1 321 . 18 1 1 A 26 26 LYS HA H 26 4.879 4.817 0.062 1
1 322 . 18 1 1 A 26 26 LYS CB C 26 34.097 34.721 -0.624 1
1 332 . 18 1 1 A 26 26 LYS C C 26 174.968 176.530 -1.562 1
1 333 . 18 1 1 A 27 27 LYS N N 27 122.619 123.127 -0.508 1
1 334 . 18 1 1 A 27 27 LYS H H 27 9.013 8.511 0.502 1
1 335 . 18 1 1 A 27 27 LYS CA C 27 58.078 56.983 1.095 1
1 336 . 18 1 1 A 27 27 LYS HA H 27 4.837 4.408 0.429 1
1 337 . 18 1 1 A 27 27 LYS CB C 27 32.269 32.004 0.265 1
1 349 . 18 1 1 A 27 27 LYS C C 27 177.307 176.921 0.386 1
1 350 . 18 1 1 A 28 28 GLY N N 28 115.785 112.813 2.972 1
1 351 . 18 1 1 A 28 28 GLY H H 28 8.902 9.195 -0.293 1
1 352 . 18 1 1 A 28 28 GLY CA C 28 44.564 45.080 -0.516 1
1 353 . 18 1 1 A 28 28 GLY HA2 H 28 3.538 4.035 -0.497 1
1 354 . 18 1 1 A 28 28 GLY HA3 H 28 4.481 4.036 0.445 1
1 355 . 18 1 1 A 28 28 GLY C C 28 174.014 173.875 0.139 1
1 356 . 18 1 1 A 29 29 ASP N N 29 122.243 121.652 0.591 1
1 357 . 18 1 1 A 29 29 ASP H H 29 8.511 8.215 0.296 1
1 358 . 18 1 1 A 29 29 ASP CA C 29 55.353 53.827 1.526 1
1 359 . 18 1 1 A 29 29 ASP HA H 29 4.523 4.808 -0.285 1
1 360 . 18 1 1 A 29 29 ASP CB C 29 41.146 42.626 -1.480 1
1 363 . 18 1 1 A 29 29 ASP C C 29 174.274 175.370 -1.096 1
1 364 . 18 1 1 A 30 30 ILE N N 30 120.587 122.691 -2.104 1
1 365 . 18 1 1 A 30 30 ILE H H 30 8.227 8.421 -0.194 1
1 366 . 18 1 1 A 30 30 ILE CA C 30 60.366 59.986 0.380 1
1 367 . 18 1 1 A 30 30 ILE HA H 30 5.036 5.330 -0.294 1
1 368 . 18 1 1 A 30 30 ILE CB C 30 38.210 41.008 -2.798 1
1 381 . 18 1 1 A 30 30 ILE C C 30 176.246 174.705 1.541 1
1 382 . 18 1 1 A 31 31 LEU N N 31 128.265 126.466 1.799 1
1 383 . 18 1 1 A 31 31 LEU H H 31 9.353 8.967 0.386 1
1 384 . 18 1 1 A 31 31 LEU CA C 31 53.414 53.164 0.250 1
1 385 . 18 1 1 A 31 31 LEU HA H 31 5.010 5.046 -0.036 1
1 386 . 18 1 1 A 31 31 LEU CB C 31 43.893 45.607 -1.714 1
1 397 . 18 1 1 A 31 31 LEU C C 31 175.596 175.560 0.036 1
1 398 . 18 1 1 A 32 32 THR N N 32 117.027 117.361 -0.334 1
1 399 . 18 1 1 A 32 32 THR H H 32 8.146 8.545 -0.399 1
1 400 . 18 1 1 A 32 32 THR CA C 32 63.046 62.101 0.945 1
1 401 . 18 1 1 A 32 32 THR HA H 32 4.629 4.822 -0.193 1
1 402 . 18 1 1 A 32 32 THR CB C 32 69.576 69.063 0.513 1
1 408 . 18 1 1 A 32 32 THR C C 32 173.559 174.834 -1.275 1
1 409 . 18 1 1 A 33 33 LEU N N 33 129.212 128.930 0.282 1
1 410 . 18 1 1 A 33 33 LEU H H 33 9.070 8.344 0.726 1
1 411 . 18 1 1 A 33 33 LEU CA C 33 54.894 56.033 -1.139 1
1 412 . 18 1 1 A 33 33 LEU HA H 33 4.351 4.370 -0.019 1
1 413 . 18 1 1 A 33 33 LEU CB C 33 43.191 42.251 0.940 1
1 426 . 18 1 1 A 33 33 LEU C C 33 174.513 176.626 -2.113 1
1 427 . 18 1 1 A 34 34 LEU N N 34 125.818 129.515 -3.697 1
1 428 . 18 1 1 A 34 34 LEU H H 34 9.060 9.029 0.031 1
1 429 . 18 1 1 A 34 34 LEU CA C 34 54.885 55.785 -0.900 1
1 430 . 18 1 1 A 34 34 LEU HA H 34 4.523 4.327 0.196 1
1 431 . 18 1 1 A 34 34 LEU CB C 34 42.990 43.113 -0.123 1
1 443 . 18 1 1 A 34 34 LEU C C 34 177.502 175.939 1.563 1
1 444 . 18 1 1 A 35 35 ASN N N 35 114.008 116.658 -2.650 1
1 445 . 18 1 1 A 35 35 ASN H H 35 7.617 7.959 -0.342 1
1 446 . 18 1 1 A 35 35 ASN CA C 35 54.502 52.706 1.796 1
1 447 . 18 1 1 A 35 35 ASN HA H 35 4.736 5.000 -0.264 1
1 448 . 18 1 1 A 35 35 ASN CB C 35 40.933 41.176 -0.243 1
1 454 . 18 1 1 A 35 35 ASN C C 35 174.318 174.277 0.041 1
1 455 . 18 1 1 A 36 36 SER N N 36 123.608 117.635 5.973 1
1 456 . 18 1 1 A 36 36 SER H H 36 9.172 8.361 0.811 1
1 457 . 18 1 1 A 36 36 SER CA C 36 56.915 57.064 -0.149 1
1 458 . 18 1 1 A 36 36 SER HA H 36 3.940 4.445 -0.505 1
1 459 . 18 1 1 A 36 36 SER CB C 36 62.042 62.419 -0.377 1
1 462 . 18 1 1 A 36 36 SER C C 36 173.364 175.349 -1.985 1
1 463 . 18 1 1 A 37 37 THR N N 37 115.130 115.716 -0.586 1
1 464 . 18 1 1 A 37 37 THR H H 37 8.184 7.696 0.488 1
1 465 . 18 1 1 A 37 37 THR CA C 37 65.381 65.255 0.126 1
1 466 . 18 1 1 A 37 37 THR HA H 37 3.980 4.023 -0.043 1
1 467 . 18 1 1 A 37 37 THR CB C 37 69.489 69.123 0.366 1
1 473 . 18 1 1 A 37 37 THR C C 37 175.249 174.479 0.770 1
1 474 . 18 1 1 A 38 38 ASN N N 38 122.469 117.567 4.902 1
1 475 . 18 1 1 A 38 38 ASN H H 38 8.681 8.365 0.316 1
1 476 . 18 1 1 A 38 38 ASN CA C 38 53.337 52.113 1.224 1
1 477 . 18 1 1 A 38 38 ASN HA H 38 4.867 5.170 -0.303 1
1 478 . 18 1 1 A 38 38 ASN CB C 38 40.376 40.074 0.302 1
1 484 . 18 1 1 A 38 38 ASN C C 38 174.599 175.381 -0.782 1
1 485 . 18 1 1 A 39 39 LYS N N 39 120.915 119.587 1.328 1
1 486 . 18 1 1 A 39 39 LYS H H 39 8.516 8.625 -0.109 1
1 487 . 18 1 1 A 39 39 LYS CA C 39 58.333 57.791 0.542 1
1 488 . 18 1 1 A 39 39 LYS HA H 39 4.247 4.682 -0.435 1
1 489 . 18 1 1 A 39 39 LYS CB C 39 32.371 33.754 -1.383 1
1 499 . 18 1 1 A 39 39 LYS C C 39 176.268 178.240 -1.972 1
1 500 . 18 1 1 A 40 40 ASP N N 40 114.512 117.644 -3.132 1
1 501 . 18 1 1 A 40 40 ASP H H 40 8.210 7.864 0.346 1
1 502 . 18 1 1 A 40 40 ASP CA C 40 55.083 55.855 -0.772 1
1 503 . 18 1 1 A 40 40 ASP HA H 40 4.544 4.372 0.172 1
1 504 . 18 1 1 A 40 40 ASP CB C 40 43.014 41.753 1.261 1
1 507 . 18 1 1 A 40 40 ASP C C 40 176.852 175.754 1.098 1
1 508 . 18 1 1 A 41 41 TRP N N 41 122.703 116.410 6.293 1
1 509 . 18 1 1 A 41 41 TRP H H 41 8.212 8.121 0.091 1
1 510 . 18 1 1 A 41 41 TRP CA C 41 56.005 56.266 -0.261 1
1 511 . 18 1 1 A 41 41 TRP HA H 41 5.078 5.203 -0.125 1
1 512 . 18 1 1 A 41 41 TRP CB C 41 32.019 30.151 1.868 1
1 527 . 18 1 1 A 41 41 TRP C C 41 174.166 175.834 -1.668 1
1 528 . 18 1 1 A 42 42 TRP N N 42 124.905 124.612 0.293 1
1 529 . 18 1 1 A 42 42 TRP H H 42 9.380 9.507 -0.127 1
1 530 . 18 1 1 A 42 42 TRP CA C 42 53.861 55.439 -1.578 1
1 531 . 18 1 1 A 42 42 TRP HA H 42 5.523 5.209 0.314 1
1 532 . 18 1 1 A 42 42 TRP CB C 42 31.543 31.325 0.218 1
1 547 . 18 1 1 A 42 42 TRP C C 42 174.144 175.916 -1.772 1
1 548 . 18 1 1 A 43 43 LYS N N 43 124.120 123.074 1.046 1
1 549 . 18 1 1 A 43 43 LYS H H 43 8.896 9.213 -0.317 1
1 550 . 18 1 1 A 43 43 LYS CA C 43 55.231 55.696 -0.465 1
1 551 . 18 1 1 A 43 43 LYS HA H 43 4.396 5.107 -0.711 1
1 552 . 18 1 1 A 43 43 LYS CB C 43 34.366 33.770 0.596 1
1 564 . 18 1 1 A 43 43 LYS C C 43 175.423 176.154 -0.731 1
1 565 . 18 1 1 A 44 44 VAL N N 44 121.984 117.541 4.443 1
1 566 . 18 1 1 A 44 44 VAL H H 44 9.430 8.943 0.487 1
1 567 . 18 1 1 A 44 44 VAL CA C 44 58.751 58.639 0.112 1
1 568 . 18 1 1 A 44 44 VAL HA H 44 5.375 5.066 0.309 1
1 569 . 18 1 1 A 44 44 VAL CB C 44 36.378 35.669 0.709 1
1 579 . 18 1 1 A 44 44 VAL C C 44 173.234 173.470 -0.236 1
1 580 . 18 1 1 A 45 45 GLU N N 45 118.425 122.341 -3.916 1
1 581 . 18 1 1 A 45 45 GLU H H 45 8.757 9.169 -0.412 1
1 582 . 18 1 1 A 45 45 GLU CA C 45 54.139 55.233 -1.094 1
1 583 . 18 1 1 A 45 45 GLU HA H 45 5.423 5.415 0.008 1
1 584 . 18 1 1 A 45 45 GLU CB C 45 32.891 32.188 0.703 1
1 590 . 18 1 1 A 45 45 GLU C C 45 174.621 175.753 -1.132 1
1 591 . 18 1 1 A 46 46 VAL N N 46 123.694 119.988 3.706 1
1 592 . 18 1 1 A 46 46 VAL H H 46 9.089 8.959 0.130 1
1 593 . 18 1 1 A 46 46 VAL CA C 46 59.627 59.239 0.388 1
1 594 . 18 1 1 A 46 46 VAL HA H 46 4.669 5.068 -0.399 1
1 595 . 18 1 1 A 46 46 VAL CB C 46 35.290 35.980 -0.690 1
1 604 . 18 1 1 A 46 46 VAL C C 46 173.234 173.496 -0.262 1
1 605 . 18 1 1 A 47 47 LYS N N 47 124.893 121.865 3.028 1
1 606 . 18 1 1 A 47 47 LYS H H 47 8.455 8.711 -0.256 1
1 607 . 18 1 1 A 47 47 LYS CA C 47 55.404 54.581 0.823 1
1 608 . 18 1 1 A 47 47 LYS HA H 47 5.022 5.209 -0.187 1
1 609 . 18 1 1 A 47 47 LYS CB C 47 33.959 35.218 -1.259 1
1 619 . 18 1 1 A 47 47 LYS C C 47 175.899 174.854 1.045 1
1 620 . 18 1 1 A 48 48 ILE N N 48 124.447 127.905 -3.458 1
1 621 . 18 1 1 A 48 48 ILE H H 48 8.989 9.200 -0.211 1
1 622 . 18 1 1 A 48 48 ILE CA C 48 59.646 60.031 -0.385 1
1 623 . 18 1 1 A 48 48 ILE HA H 48 4.529 4.883 -0.354 1
1 624 . 18 1 1 A 48 48 ILE CB C 48 41.170 40.710 0.460 1
1 637 . 18 1 1 A 48 48 ILE C C 48 174.144 175.355 -1.211 1
1 638 . 18 1 1 A 49 49 THR N N 49 121.012 123.432 -2.420 1
1 639 . 18 1 1 A 49 49 THR H H 49 8.570 8.832 -0.262 1
1 640 . 18 1 1 A 49 49 THR CA C 49 61.301 62.055 -0.754 1
1 641 . 18 1 1 A 49 49 THR HA H 49 5.272 4.903 0.369 1
1 642 . 18 1 1 A 49 49 THR CB C 49 69.853 69.697 0.156 1
1 648 . 18 1 1 A 49 49 THR C C 49 174.318 173.782 0.536 1
1 649 . 18 1 1 A 50 50 VAL N N 50 126.754 126.466 0.288 1
1 650 . 18 1 1 A 50 50 VAL H H 50 9.104 9.053 0.051 1
1 651 . 18 1 1 A 50 50 VAL CA C 50 61.070 61.376 -0.306 1
1 652 . 18 1 1 A 50 50 VAL HA H 50 4.292 4.506 -0.214 1
1 653 . 18 1 1 A 50 50 VAL CB C 50 34.452 34.294 0.158 1
1 663 . 18 1 1 A 50 50 VAL C C 50 175.899 176.334 -0.435 1
1 664 . 18 1 1 A 51 51 ASN N N 51 127.590 126.074 1.516 1
1 665 . 18 1 1 A 51 51 ASN H H 51 9.619 9.581 0.038 1
1 666 . 18 1 1 A 51 51 ASN CA C 51 54.177 54.288 -0.111 1
1 667 . 18 1 1 A 51 51 ASN HA H 51 4.390 4.415 -0.025 1
1 668 . 18 1 1 A 51 51 ASN CB C 51 37.413 37.468 -0.055 1
1 671 . 18 1 1 A 51 51 ASN C C 51 175.249 174.635 0.614 1
1 672 . 18 1 1 A 52 52 GLY N N 52 102.845 103.986 -1.141 1
1 673 . 18 1 1 A 52 52 GLY H H 52 8.535 8.650 -0.115 1
1 674 . 18 1 1 A 52 52 GLY CA C 52 45.443 45.324 0.119 1
1 675 . 18 1 1 A 52 52 GLY HA2 H 52 3.555 3.878 -0.323 1
1 676 . 18 1 1 A 52 52 GLY HA3 H 52 4.120 3.881 0.239 1
1 677 . 18 1 1 A 52 52 GLY C C 52 176.398 173.704 2.694 1
1 678 . 18 1 1 A 53 53 LYS N N 53 121.989 120.575 1.414 1
1 679 . 18 1 1 A 53 53 LYS H H 53 7.849 8.137 -0.288 1
1 680 . 18 1 1 A 53 53 LYS CA C 53 54.807 54.938 -0.131 1
1 681 . 18 1 1 A 53 53 LYS HA H 53 4.641 4.350 0.291 1
1 682 . 18 1 1 A 53 53 LYS CB C 53 34.440 34.069 0.371 1
1 694 . 18 1 1 A 53 53 LYS C C 53 174.513 176.197 -1.684 1
1 695 . 18 1 1 A 54 54 THR N N 54 118.860 116.200 2.660 1
1 696 . 18 1 1 A 54 54 THR H H 54 8.445 8.336 0.109 1
1 697 . 18 1 1 A 54 54 THR CA C 54 62.074 61.553 0.521 1
1 698 . 18 1 1 A 54 54 THR HA H 54 5.167 4.800 0.367 1
1 699 . 18 1 1 A 54 54 THR CB C 54 70.071 69.727 0.344 1
1 705 . 18 1 1 A 54 54 THR C C 54 173.689 173.635 0.054 1
1 706 . 18 1 1 A 55 55 TYR N N 55 125.966 122.393 3.573 1
1 707 . 18 1 1 A 55 55 TYR H H 55 9.319 9.721 -0.402 1
1 708 . 18 1 1 A 55 55 TYR CA C 55 56.507 56.244 0.263 1
1 709 . 18 1 1 A 55 55 TYR HA H 55 4.767 5.069 -0.302 1
1 710 . 18 1 1 A 55 55 TYR CB C 55 40.591 42.826 -2.235 1
1 721 . 18 1 1 A 55 55 TYR C C 55 173.538 175.249 -1.711 1
1 722 . 18 1 1 A 56 56 GLU N N 56 119.827 121.121 -1.294 1
1 723 . 18 1 1 A 56 56 GLU H H 56 8.568 8.875 -0.307 1
1 724 . 18 1 1 A 56 56 GLU CA C 56 54.503 55.235 -0.732 1
1 725 . 18 1 1 A 56 56 GLU HA H 56 5.247 5.419 -0.172 1
1 726 . 18 1 1 A 56 56 GLU CB C 56 30.297 33.330 -3.033 1
1 732 . 18 1 1 A 56 56 GLU C C 56 175.726 175.304 0.422 1
1 733 . 18 1 1 A 57 57 ARG N N 57 123.399 120.524 2.875 1
1 734 . 18 1 1 A 57 57 ARG H H 57 8.971 8.360 0.611 1
1 735 . 18 1 1 A 57 57 ARG CA C 57 54.944 54.931 0.013 1
1 736 . 18 1 1 A 57 57 ARG HA H 57 4.710 5.068 -0.358 1
1 737 . 18 1 1 A 57 57 ARG CB C 57 33.362 34.233 -0.871 1
1 746 . 18 1 1 A 57 57 ARG C C 57 174.166 174.167 -0.001 1
1 747 . 18 1 1 A 58 58 GLN N N 58 120.188 119.709 0.479 1
1 748 . 18 1 1 A 58 58 GLN H H 58 8.634 8.614 0.020 1
1 749 . 18 1 1 A 58 58 GLN CA C 58 53.251 54.517 -1.266 1
1 750 . 18 1 1 A 58 58 GLN HA H 58 5.602 5.387 0.215 1
1 751 . 18 1 1 A 58 58 GLN CB C 58 31.229 31.212 0.017 1
1 760 . 18 1 1 A 58 58 GLN C C 58 175.726 174.367 1.359 1
1 761 . 18 1 1 A 59 59 GLY N N 59 107.196 109.520 -2.324 1
1 762 . 18 1 1 A 59 59 GLY H H 59 8.644 8.974 -0.330 1
1 763 . 18 1 1 A 59 59 GLY CA C 59 45.583 44.137 1.446 1
1 764 . 18 1 1 A 59 59 GLY HA2 H 59 3.947 4.124 -0.177 1
1 765 . 18 1 1 A 59 59 GLY HA3 H 59 3.947 4.353 -0.406 1
1 766 . 18 1 1 A 59 59 GLY C C 59 170.223 172.191 -1.968 1
1 767 . 18 1 1 A 60 60 PHE N N 60 119.079 119.137 -0.058 1
1 768 . 18 1 1 A 60 60 PHE H H 60 9.178 8.677 0.501 1
1 769 . 18 1 1 A 60 60 PHE CA C 60 58.544 58.071 0.473 1
1 770 . 18 1 1 A 60 60 PHE HA H 60 5.668 5.145 0.523 1
1 771 . 18 1 1 A 60 60 PHE CB C 60 42.484 41.405 1.079 1
1 784 . 18 1 1 A 60 60 PHE C C 60 175.423 175.746 -0.323 1
1 785 . 18 1 1 A 61 61 VAL N N 61 111.060 116.826 -5.766 1
1 786 . 18 1 1 A 61 61 VAL H H 61 9.089 9.018 0.071 1
1 787 . 18 1 1 A 61 61 VAL CA C 61 58.189 58.612 -0.423 1
1 788 . 18 1 1 A 61 61 VAL HA H 61 4.833 4.888 -0.055 1
1 789 . 18 1 1 A 61 61 VAL CB C 61 33.744 35.103 -1.359 1
1 800 . 18 1 1 A 62 62 PRO CA C 62 61.852 62.154 -0.302 1
1 801 . 18 1 1 A 62 62 PRO HA H 62 3.572 4.204 -0.632 1
1 802 . 18 1 1 A 62 62 PRO CB C 62 29.704 30.875 -1.171 1
1 810 . 18 1 1 A 62 62 PRO C C 62 177.719 177.559 0.160 1
1 811 . 18 1 1 A 63 63 ALA N N 63 129.142 128.438 0.704 1
1 812 . 18 1 1 A 63 63 ALA H H 63 7.477 8.471 -0.994 1
1 813 . 18 1 1 A 63 63 ALA CA C 63 54.472 54.604 -0.132 1
1 814 . 18 1 1 A 63 63 ALA HA H 63 2.655 3.768 -1.113 1
1 818 . 18 1 1 A 63 63 ALA CB C 63 15.740 17.071 -1.331 1
1 819 . 18 1 1 A 63 63 ALA C C 63 178.434 179.686 -1.252 1
1 820 . 18 1 1 A 64 64 ALA N N 64 113.410 119.409 -5.999 1
1 821 . 18 1 1 A 64 64 ALA H H 64 7.857 8.149 -0.292 1
1 822 . 18 1 1 A 64 64 ALA CA C 64 52.991 54.162 -1.171 1
1 823 . 18 1 1 A 64 64 ALA HA H 64 4.006 3.980 0.026 1
1 827 . 18 1 1 A 64 64 ALA CB C 64 17.605 18.182 -0.577 1
1 828 . 18 1 1 A 64 64 ALA C C 64 178.109 177.970 0.139 1
1 829 . 18 1 1 A 65 65 TYR N N 65 116.059 116.589 -0.530 1
1 830 . 18 1 1 A 65 65 TYR H H 65 7.705 7.930 -0.225 1
1 831 . 18 1 1 A 65 65 TYR CA C 65 56.477 58.592 -2.115 1
1 832 . 18 1 1 A 65 65 TYR HA H 65 4.758 4.518 0.240 1
1 833 . 18 1 1 A 65 65 TYR CB C 65 37.765 39.095 -1.330 1
1 844 . 18 1 1 A 65 65 TYR C C 65 174.361 175.670 -1.309 1
1 845 . 18 1 1 A 66 66 VAL N N 66 111.003 114.824 -3.821 1
1 846 . 18 1 1 A 66 66 VAL H H 66 7.422 7.503 -0.081 1
1 847 . 18 1 1 A 66 66 VAL CA C 66 58.268 59.042 -0.774 1
1 848 . 18 1 1 A 66 66 VAL HA H 66 5.547 4.994 0.553 1
1 849 . 18 1 1 A 66 66 VAL CB C 66 35.809 36.280 -0.471 1
1 859 . 18 1 1 A 66 66 VAL C C 66 173.538 174.630 -1.092 1
1 860 . 18 1 1 A 67 67 LYS N N 67 118.514 120.206 -1.692 1
1 861 . 18 1 1 A 67 67 LYS H H 67 8.636 8.870 -0.234 1
1 862 . 18 1 1 A 67 67 LYS CA C 67 53.828 54.482 -0.654 1
1 863 . 18 1 1 A 67 67 LYS HA H 67 4.840 5.008 -0.168 1
1 864 . 18 1 1 A 67 67 LYS CB C 67 36.636 36.648 -0.012 1
1 876 . 18 1 1 A 67 67 LYS C C 67 176.029 174.664 1.365 1
1 877 . 18 1 1 A 68 68 LYS N N 68 125.817 123.857 1.960 1
1 878 . 18 1 1 A 68 68 LYS H H 68 9.246 8.840 0.406 1
1 879 . 18 1 1 A 68 68 LYS CA C 68 58.514 57.000 1.514 1
1 880 . 18 1 1 A 68 68 LYS HA H 68 4.494 4.538 -0.044 1
1 881 . 18 1 1 A 68 68 LYS CB C 68 32.893 33.137 -0.244 1
1 891 . 18 1 1 A 68 68 LYS C C 68 176.679 176.691 -0.012 1
1 892 . 18 1 1 A 69 69 LEU N N 69 125.294 129.648 -4.354 1
1 893 . 18 1 1 A 69 69 LEU H H 69 8.506 9.202 -0.696 1
1 894 . 18 1 1 A 69 69 LEU CA C 69 54.873 56.103 -1.230 1
1 895 . 18 1 1 A 69 69 LEU HA H 69 4.429 4.468 -0.039 1
1 896 . 18 1 1 A 69 69 LEU CB C 69 42.631 43.871 -1.240 1
1 909 . 18 1 1 A 69 69 LEU C C 69 176.203 175.831 0.372 1
1 10 . 19 1 1 A 2 2 ASP N N 2 123.392 125.381 -1.989 1
1 11 . 19 1 1 A 2 2 ASP H H 2 8.830 8.844 -0.014 1
1 12 . 19 1 1 A 2 2 ASP CA C 2 54.029 52.289 1.740 1
1 13 . 19 1 1 A 2 2 ASP HA H 2 4.699 4.883 -0.184 1
1 14 . 19 1 1 A 2 2 ASP CB C 2 40.198 40.226 -0.028 1
1 17 . 19 1 1 A 2 2 ASP C C 2 175.639 175.394 0.245 1
1 18 . 19 1 1 A 3 3 GLU N N 3 121.824 116.138 5.686 1
1 19 . 19 1 1 A 3 3 GLU H H 3 8.663 8.044 0.619 1
1 20 . 19 1 1 A 3 3 GLU CA C 3 56.162 57.573 -1.411 1
1 21 . 19 1 1 A 3 3 GLU HA H 3 4.406 3.958 0.448 1
1 22 . 19 1 1 A 3 3 GLU CB C 3 28.702 27.199 1.503 1
1 28 . 19 1 1 A 3 3 GLU C C 3 176.354 176.753 -0.399 1
1 29 . 19 1 1 A 4 4 THR N N 4 114.607 111.912 2.695 1
1 30 . 19 1 1 A 4 4 THR H H 4 8.285 8.230 0.055 1
1 31 . 19 1 1 A 4 4 THR CA C 4 62.425 62.918 -0.493 1
1 32 . 19 1 1 A 4 4 THR HA H 4 4.267 4.332 -0.065 1
1 33 . 19 1 1 A 4 4 THR CB C 4 69.672 70.368 -0.696 1
1 39 . 19 1 1 A 4 4 THR C C 4 175.271 175.580 -0.309 1
1 40 . 19 1 1 A 5 5 GLY N N 5 111.345 110.740 0.605 1
1 41 . 19 1 1 A 5 5 GLY H H 5 8.436 8.103 0.333 1
1 42 . 19 1 1 A 5 5 GLY CA C 5 45.297 46.860 -1.563 1
1 43 . 19 1 1 A 5 5 GLY HA2 H 5 3.942 3.894 0.048 1
1 44 . 19 1 1 A 5 5 GLY HA3 H 5 3.942 3.894 0.048 1
1 45 . 19 1 1 A 5 5 GLY C C 5 173.668 174.837 -1.169 1
1 46 . 19 1 1 A 6 6 LYS N N 6 119.783 117.169 2.614 1
1 47 . 19 1 1 A 6 6 LYS H H 6 8.017 8.157 -0.140 1
1 48 . 19 1 1 A 6 6 LYS CA C 6 55.538 57.727 -2.189 1
1 49 . 19 1 1 A 6 6 LYS HA H 6 4.387 4.360 0.027 1
1 50 . 19 1 1 A 6 6 LYS CB C 6 33.257 33.849 -0.592 1
1 62 . 19 1 1 A 6 6 LYS C C 6 176.029 177.726 -1.697 1
1 63 . 19 1 1 A 7 7 GLU N N 7 122.414 114.365 8.049 1
1 64 . 19 1 1 A 7 7 GLU H H 7 8.584 8.047 0.537 1
1 65 . 19 1 1 A 7 7 GLU CA C 7 55.404 55.448 -0.044 1
1 66 . 19 1 1 A 7 7 GLU HA H 7 4.495 4.529 -0.034 1
1 67 . 19 1 1 A 7 7 GLU CB C 7 30.382 29.451 0.931 1
1 73 . 19 1 1 A 7 7 GLU C C 7 174.014 176.140 -2.126 1
1 74 . 19 1 1 A 8 8 LEU N N 8 122.989 123.069 -0.080 1
1 75 . 19 1 1 A 8 8 LEU H H 8 8.414 8.397 0.017 1
1 76 . 19 1 1 A 8 8 LEU CA C 8 53.188 54.175 -0.987 1
1 77 . 19 1 1 A 8 8 LEU HA H 8 5.381 5.002 0.379 1
1 78 . 19 1 1 A 8 8 LEU CB C 8 45.173 42.992 2.181 1
1 90 . 19 1 1 A 8 8 LEU C C 8 177.329 176.602 0.727 1
1 91 . 19 1 1 A 9 9 VAL N N 9 111.709 119.832 -8.123 1
1 92 . 19 1 1 A 9 9 VAL H H 9 9.125 9.404 -0.279 1
1 93 . 19 1 1 A 9 9 VAL CA C 9 57.854 59.679 -1.825 1
1 94 . 19 1 1 A 9 9 VAL HA H 9 5.232 5.024 0.208 1
1 95 . 19 1 1 A 9 9 VAL CB C 9 35.864 34.680 1.184 1
1 105 . 19 1 1 A 9 9 VAL C C 9 172.368 173.966 -1.598 1
1 106 . 19 1 1 A 10 10 LEU N N 10 123.520 127.468 -3.948 1
1 107 . 19 1 1 A 10 10 LEU H H 10 8.989 9.128 -0.139 1
1 108 . 19 1 1 A 10 10 LEU CA C 10 52.445 53.522 -1.077 1
1 109 . 19 1 1 A 10 10 LEU HA H 10 5.113 5.270 -0.157 1
1 110 . 19 1 1 A 10 10 LEU CB C 10 46.776 44.660 2.116 1
1 123 . 19 1 1 A 10 10 LEU C C 10 176.549 175.919 0.630 1
1 124 . 19 1 1 A 11 11 ALA N N 11 127.272 128.570 -1.298 1
1 125 . 19 1 1 A 11 11 ALA H H 11 9.163 8.933 0.230 1
1 126 . 19 1 1 A 11 11 ALA CA C 11 52.416 51.957 0.459 1
1 127 . 19 1 1 A 11 11 ALA HA H 11 4.602 4.522 0.080 1
1 131 . 19 1 1 A 11 11 ALA CB C 11 19.274 19.035 0.239 1
1 132 . 19 1 1 A 11 11 ALA C C 11 178.282 176.981 1.301 1
1 133 . 19 1 1 A 12 12 LEU N N 12 127.769 124.711 3.058 1
1 134 . 19 1 1 A 12 12 LEU H H 12 9.257 9.309 -0.052 1
1 135 . 19 1 1 A 12 12 LEU CA C 12 55.442 55.902 -0.460 1
1 136 . 19 1 1 A 12 12 LEU HA H 12 3.898 4.311 -0.413 1
1 137 . 19 1 1 A 12 12 LEU CB C 12 43.110 42.579 0.531 1
1 150 . 19 1 1 A 12 12 LEU C C 12 174.946 176.464 -1.518 1
1 151 . 19 1 1 A 13 13 TYR N N 13 111.673 115.760 -4.087 1
1 152 . 19 1 1 A 13 13 TYR H H 13 7.129 8.023 -0.894 1
1 153 . 19 1 1 A 13 13 TYR CA C 13 54.720 56.528 -1.808 1
1 154 . 19 1 1 A 13 13 TYR HA H 13 4.633 4.977 -0.344 1
1 155 . 19 1 1 A 13 13 TYR CB C 13 43.043 41.819 1.224 1
1 166 . 19 1 1 A 13 13 TYR C C 13 173.668 174.893 -1.225 1
1 167 . 19 1 1 A 14 14 ASP N N 14 117.814 119.939 -2.125 1
1 168 . 19 1 1 A 14 14 ASP H H 14 8.347 8.860 -0.513 1
1 169 . 19 1 1 A 14 14 ASP CA C 14 54.571 53.003 1.568 1
1 170 . 19 1 1 A 14 14 ASP HA H 14 4.633 5.647 -1.014 1
1 171 . 19 1 1 A 14 14 ASP CB C 14 41.136 43.220 -2.084 1
1 174 . 19 1 1 A 14 14 ASP C C 14 176.051 174.609 1.442 1
1 175 . 19 1 1 A 15 15 TYR N N 15 120.213 123.274 -3.061 1
1 176 . 19 1 1 A 15 15 TYR H H 15 8.748 9.383 -0.635 1
1 177 . 19 1 1 A 15 15 TYR CA C 15 59.454 57.225 2.229 1
1 178 . 19 1 1 A 15 15 TYR HA H 15 4.654 5.426 -0.772 1
1 179 . 19 1 1 A 15 15 TYR CB C 15 43.400 42.578 0.822 1
1 190 . 19 1 1 A 15 15 TYR C C 15 172.758 173.929 -1.171 1
1 191 . 19 1 1 A 16 16 GLN N N 16 126.986 121.831 5.155 1
1 192 . 19 1 1 A 16 16 GLN H H 16 7.558 7.713 -0.155 1
1 193 . 19 1 1 A 16 16 GLN CA C 16 53.534 53.416 0.118 1
1 194 . 19 1 1 A 16 16 GLN HA H 16 4.500 4.971 -0.471 1
1 195 . 19 1 1 A 16 16 GLN CB C 16 29.071 32.474 -3.403 1
1 204 . 19 1 1 A 16 16 GLN C C 16 173.863 174.090 -0.227 1
1 205 . 19 1 1 A 17 17 GLU N N 17 123.063 120.355 2.708 1
1 206 . 19 1 1 A 17 17 GLU H H 17 7.979 8.526 -0.547 1
1 207 . 19 1 1 A 17 17 GLU CA C 17 55.935 55.559 0.376 1
1 208 . 19 1 1 A 17 17 GLU HA H 17 4.182 4.779 -0.597 1
1 209 . 19 1 1 A 17 17 GLU CB C 17 28.948 30.737 -1.789 1
1 215 . 19 1 1 A 17 17 GLU C C 17 175.899 176.473 -0.574 1
1 216 . 19 1 1 A 18 18 LYS N N 18 120.853 119.637 1.216 1
1 217 . 19 1 1 A 18 18 LYS H H 18 8.771 8.227 0.544 1
1 218 . 19 1 1 A 18 18 LYS CA C 18 55.393 56.730 -1.337 1
1 219 . 19 1 1 A 18 18 LYS HA H 18 4.390 4.549 -0.159 1
1 220 . 19 1 1 A 18 18 LYS CB C 18 33.393 34.418 -1.025 1
1 232 . 19 1 1 A 18 18 LYS C C 18 176.138 176.794 -0.656 1
1 233 . 19 1 1 A 19 19 SER N N 19 115.089 116.141 -1.052 1
1 234 . 19 1 1 A 19 19 SER H H 19 7.658 7.879 -0.221 1
1 235 . 19 1 1 A 19 19 SER CA C 19 56.821 57.192 -0.371 1
1 236 . 19 1 1 A 19 19 SER HA H 19 4.863 4.451 0.412 1
1 237 . 19 1 1 A 19 19 SER CB C 19 64.208 62.794 1.414 1
1 241 . 19 1 1 A 20 20 PRO CA C 20 64.803 64.190 0.613 1
1 242 . 19 1 1 A 20 20 PRO HA H 20 4.521 4.534 -0.013 1
1 243 . 19 1 1 A 20 20 PRO CB C 20 31.657 31.548 0.109 1
1 251 . 19 1 1 A 20 20 PRO C C 20 176.657 176.283 0.374 1
1 252 . 19 1 1 A 21 21 ARG N N 21 113.827 117.981 -4.154 1
1 253 . 19 1 1 A 21 21 ARG H H 21 7.694 8.311 -0.617 1
1 254 . 19 1 1 A 21 21 ARG CA C 21 56.119 55.321 0.798 1
1 255 . 19 1 1 A 21 21 ARG HA H 21 4.593 4.492 0.101 1
1 256 . 19 1 1 A 21 21 ARG CB C 21 30.299 30.438 -0.139 1
1 265 . 19 1 1 A 21 21 ARG C C 21 173.386 174.850 -1.464 1
1 266 . 19 1 1 A 22 22 GLU N N 22 121.389 118.155 3.234 1
1 267 . 19 1 1 A 22 22 GLU H H 22 7.850 7.861 -0.011 1
1 268 . 19 1 1 A 22 22 GLU CA C 22 54.951 54.894 0.057 1
1 269 . 19 1 1 A 22 22 GLU HA H 22 5.487 5.021 0.466 1
1 270 . 19 1 1 A 22 22 GLU CB C 22 33.588 34.323 -0.735 1
1 276 . 19 1 1 A 22 22 GLU C C 22 174.491 175.081 -0.590 1
1 277 . 19 1 1 A 23 23 VAL N N 23 113.069 118.293 -5.224 1
1 278 . 19 1 1 A 23 23 VAL H H 23 7.410 8.939 -1.529 1
1 279 . 19 1 1 A 23 23 VAL CA C 23 59.793 59.869 -0.076 1
1 280 . 19 1 1 A 23 23 VAL HA H 23 4.531 5.217 -0.686 1
1 281 . 19 1 1 A 23 23 VAL CB C 23 34.667 34.958 -0.291 1
1 291 . 19 1 1 A 23 23 VAL C C 23 172.541 174.843 -2.302 1
1 292 . 19 1 1 A 24 24 THR N N 24 118.283 118.982 -0.699 1
1 293 . 19 1 1 A 24 24 THR H H 24 7.362 8.544 -1.182 1
1 294 . 19 1 1 A 24 24 THR CA C 24 61.708 62.641 -0.933 1
1 295 . 19 1 1 A 24 24 THR HA H 24 5.085 4.731 0.354 1
1 296 . 19 1 1 A 24 24 THR CB C 24 70.934 69.810 1.124 1
1 302 . 19 1 1 A 24 24 THR C C 24 174.274 174.543 -0.269 1
1 303 . 19 1 1 A 25 25 MET N N 25 121.971 124.309 -2.338 1
1 304 . 19 1 1 A 25 25 MET H H 25 9.523 9.384 0.139 1
1 305 . 19 1 1 A 25 25 MET CA C 25 54.328 53.458 0.870 1
1 306 . 19 1 1 A 25 25 MET HA H 25 4.929 5.586 -0.657 1
1 307 . 19 1 1 A 25 25 MET CB C 25 36.287 35.795 0.492 1
1 317 . 19 1 1 A 25 25 MET C C 25 173.841 174.214 -0.373 1
1 318 . 19 1 1 A 26 26 LYS N N 26 124.399 120.801 3.598 1
1 319 . 19 1 1 A 26 26 LYS H H 26 8.820 9.075 -0.255 1
1 320 . 19 1 1 A 26 26 LYS CA C 26 53.699 54.330 -0.631 1
1 321 . 19 1 1 A 26 26 LYS HA H 26 4.879 5.210 -0.331 1
1 322 . 19 1 1 A 26 26 LYS CB C 26 34.097 36.172 -2.075 1
1 332 . 19 1 1 A 26 26 LYS C C 26 174.968 175.526 -0.558 1
1 333 . 19 1 1 A 27 27 LYS N N 27 122.619 122.790 -0.171 1
1 334 . 19 1 1 A 27 27 LYS H H 27 9.013 8.488 0.525 1
1 335 . 19 1 1 A 27 27 LYS CA C 27 58.078 57.113 0.965 1
1 336 . 19 1 1 A 27 27 LYS HA H 27 4.837 4.422 0.415 1
1 337 . 19 1 1 A 27 27 LYS CB C 27 32.269 32.015 0.254 1
1 349 . 19 1 1 A 27 27 LYS C C 27 177.307 177.001 0.306 1
1 350 . 19 1 1 A 28 28 GLY N N 28 115.785 113.304 2.481 1
1 351 . 19 1 1 A 28 28 GLY H H 28 8.902 9.038 -0.136 1
1 352 . 19 1 1 A 28 28 GLY CA C 28 44.564 45.078 -0.514 1
1 353 . 19 1 1 A 28 28 GLY HA2 H 28 3.538 4.027 -0.489 1
1 354 . 19 1 1 A 28 28 GLY HA3 H 28 4.481 4.031 0.450 1
1 355 . 19 1 1 A 28 28 GLY C C 28 174.014 174.679 -0.665 1
1 356 . 19 1 1 A 29 29 ASP N N 29 122.243 121.037 1.206 1
1 357 . 19 1 1 A 29 29 ASP H H 29 8.511 8.418 0.093 1
1 358 . 19 1 1 A 29 29 ASP CA C 29 55.353 54.469 0.884 1
1 359 . 19 1 1 A 29 29 ASP HA H 29 4.523 4.780 -0.257 1
1 360 . 19 1 1 A 29 29 ASP CB C 29 41.146 42.797 -1.651 1
1 363 . 19 1 1 A 29 29 ASP C C 29 174.274 174.626 -0.352 1
1 364 . 19 1 1 A 30 30 ILE N N 30 120.587 119.295 1.292 1
1 365 . 19 1 1 A 30 30 ILE H H 30 8.227 8.410 -0.183 1
1 366 . 19 1 1 A 30 30 ILE CA C 30 60.366 60.131 0.235 1
1 367 . 19 1 1 A 30 30 ILE HA H 30 5.036 5.282 -0.246 1
1 368 . 19 1 1 A 30 30 ILE CB C 30 38.210 42.213 -4.003 1
1 381 . 19 1 1 A 30 30 ILE C C 30 176.246 174.981 1.265 1
1 382 . 19 1 1 A 31 31 LEU N N 31 128.265 126.300 1.965 1
1 383 . 19 1 1 A 31 31 LEU H H 31 9.353 8.971 0.382 1
1 384 . 19 1 1 A 31 31 LEU CA C 31 53.414 53.495 -0.081 1
1 385 . 19 1 1 A 31 31 LEU HA H 31 5.010 5.024 -0.014 1
1 386 . 19 1 1 A 31 31 LEU CB C 31 43.893 46.128 -2.235 1
1 397 . 19 1 1 A 31 31 LEU C C 31 175.596 175.455 0.141 1
1 398 . 19 1 1 A 32 32 THR N N 32 117.027 117.843 -0.816 1
1 399 . 19 1 1 A 32 32 THR H H 32 8.146 8.649 -0.503 1
1 400 . 19 1 1 A 32 32 THR CA C 32 63.046 62.240 0.806 1
1 401 . 19 1 1 A 32 32 THR HA H 32 4.629 4.731 -0.102 1
1 402 . 19 1 1 A 32 32 THR CB C 32 69.576 69.414 0.162 1
1 408 . 19 1 1 A 32 32 THR C C 32 173.559 174.397 -0.838 1
1 409 . 19 1 1 A 33 33 LEU N N 33 129.212 128.873 0.339 1
1 410 . 19 1 1 A 33 33 LEU H H 33 9.070 8.730 0.340 1
1 411 . 19 1 1 A 33 33 LEU CA C 33 54.894 55.429 -0.535 1
1 412 . 19 1 1 A 33 33 LEU HA H 33 4.351 4.364 -0.013 1
1 413 . 19 1 1 A 33 33 LEU CB C 33 43.191 42.426 0.765 1
1 426 . 19 1 1 A 33 33 LEU C C 33 174.513 176.685 -2.172 1
1 427 . 19 1 1 A 34 34 LEU N N 34 125.818 129.529 -3.711 1
1 428 . 19 1 1 A 34 34 LEU H H 34 9.060 9.043 0.017 1
1 429 . 19 1 1 A 34 34 LEU CA C 34 54.885 55.694 -0.809 1
1 430 . 19 1 1 A 34 34 LEU HA H 34 4.523 4.374 0.149 1
1 431 . 19 1 1 A 34 34 LEU CB C 34 42.990 43.117 -0.127 1
1 443 . 19 1 1 A 34 34 LEU C C 34 177.502 176.047 1.455 1
1 444 . 19 1 1 A 35 35 ASN N N 35 114.008 117.003 -2.995 1
1 445 . 19 1 1 A 35 35 ASN H H 35 7.617 8.026 -0.409 1
1 446 . 19 1 1 A 35 35 ASN CA C 35 54.502 52.399 2.103 1
1 447 . 19 1 1 A 35 35 ASN HA H 35 4.736 4.962 -0.226 1
1 448 . 19 1 1 A 35 35 ASN CB C 35 40.933 41.494 -0.561 1
1 454 . 19 1 1 A 35 35 ASN C C 35 174.318 174.158 0.160 1
1 455 . 19 1 1 A 36 36 SER N N 36 123.608 118.551 5.057 1
1 456 . 19 1 1 A 36 36 SER H H 36 9.172 8.318 0.854 1
1 457 . 19 1 1 A 36 36 SER CA C 36 56.915 56.652 0.263 1
1 458 . 19 1 1 A 36 36 SER HA H 36 3.940 4.207 -0.267 1
1 459 . 19 1 1 A 36 36 SER CB C 36 62.042 62.968 -0.926 1
1 462 . 19 1 1 A 36 36 SER C C 36 173.364 175.280 -1.916 1
1 463 . 19 1 1 A 37 37 THR N N 37 115.130 116.600 -1.470 1
1 464 . 19 1 1 A 37 37 THR H H 37 8.184 7.673 0.511 1
1 465 . 19 1 1 A 37 37 THR CA C 37 65.381 65.483 -0.102 1
1 466 . 19 1 1 A 37 37 THR HA H 37 3.980 3.996 -0.016 1
1 467 . 19 1 1 A 37 37 THR CB C 37 69.489 69.257 0.232 1
1 473 . 19 1 1 A 37 37 THR C C 37 175.249 175.052 0.197 1
1 474 . 19 1 1 A 38 38 ASN N N 38 122.469 118.957 3.512 1
1 475 . 19 1 1 A 38 38 ASN H H 38 8.681 7.920 0.761 1
1 476 . 19 1 1 A 38 38 ASN CA C 38 53.337 52.422 0.915 1
1 477 . 19 1 1 A 38 38 ASN HA H 38 4.867 4.907 -0.040 1
1 478 . 19 1 1 A 38 38 ASN CB C 38 40.376 40.643 -0.267 1
1 484 . 19 1 1 A 38 38 ASN C C 38 174.599 175.085 -0.486 1
1 485 . 19 1 1 A 39 39 LYS N N 39 120.915 121.620 -0.705 1
1 486 . 19 1 1 A 39 39 LYS H H 39 8.516 8.940 -0.424 1
1 487 . 19 1 1 A 39 39 LYS CA C 39 58.333 55.949 2.384 1
1 488 . 19 1 1 A 39 39 LYS HA H 39 4.247 4.682 -0.435 1
1 489 . 19 1 1 A 39 39 LYS CB C 39 32.371 34.152 -1.781 1
1 499 . 19 1 1 A 39 39 LYS C C 39 176.268 176.454 -0.186 1
1 500 . 19 1 1 A 40 40 ASP N N 40 114.512 117.222 -2.710 1
1 501 . 19 1 1 A 40 40 ASP H H 40 8.210 8.088 0.122 1
1 502 . 19 1 1 A 40 40 ASP CA C 40 55.083 55.630 -0.547 1
1 503 . 19 1 1 A 40 40 ASP HA H 40 4.544 4.419 0.125 1
1 504 . 19 1 1 A 40 40 ASP CB C 40 43.014 42.370 0.644 1
1 507 . 19 1 1 A 40 40 ASP C C 40 176.852 175.337 1.515 1
1 508 . 19 1 1 A 41 41 TRP N N 41 122.703 116.140 6.563 1
1 509 . 19 1 1 A 41 41 TRP H H 41 8.212 7.931 0.281 1
1 510 . 19 1 1 A 41 41 TRP CA C 41 56.005 55.442 0.563 1
1 511 . 19 1 1 A 41 41 TRP HA H 41 5.078 5.369 -0.291 1
1 512 . 19 1 1 A 41 41 TRP CB C 41 32.019 31.599 0.420 1
1 527 . 19 1 1 A 41 41 TRP C C 41 174.166 175.896 -1.730 1
1 528 . 19 1 1 A 42 42 TRP N N 42 124.905 123.626 1.279 1
1 529 . 19 1 1 A 42 42 TRP H H 42 9.380 9.664 -0.284 1
1 530 . 19 1 1 A 42 42 TRP CA C 42 53.861 55.494 -1.633 1
1 531 . 19 1 1 A 42 42 TRP HA H 42 5.523 5.228 0.295 1
1 532 . 19 1 1 A 42 42 TRP CB C 42 31.543 32.672 -1.129 1
1 547 . 19 1 1 A 42 42 TRP C C 42 174.144 175.721 -1.577 1
1 548 . 19 1 1 A 43 43 LYS N N 43 124.120 123.154 0.966 1
1 549 . 19 1 1 A 43 43 LYS H H 43 8.896 8.908 -0.012 1
1 550 . 19 1 1 A 43 43 LYS CA C 43 55.231 55.504 -0.273 1
1 551 . 19 1 1 A 43 43 LYS HA H 43 4.396 4.814 -0.418 1
1 552 . 19 1 1 A 43 43 LYS CB C 43 34.366 32.554 1.812 1
1 564 . 19 1 1 A 43 43 LYS C C 43 175.423 175.902 -0.479 1
1 565 . 19 1 1 A 44 44 VAL N N 44 121.984 118.170 3.814 1
1 566 . 19 1 1 A 44 44 VAL H H 44 9.430 8.980 0.450 1
1 567 . 19 1 1 A 44 44 VAL CA C 44 58.751 58.936 -0.185 1
1 568 . 19 1 1 A 44 44 VAL HA H 44 5.375 5.261 0.114 1
1 569 . 19 1 1 A 44 44 VAL CB C 44 36.378 35.070 1.308 1
1 579 . 19 1 1 A 44 44 VAL C C 44 173.234 173.807 -0.573 1
1 580 . 19 1 1 A 45 45 GLU N N 45 118.425 123.073 -4.648 1
1 581 . 19 1 1 A 45 45 GLU H H 45 8.757 9.195 -0.438 1
1 582 . 19 1 1 A 45 45 GLU CA C 45 54.139 55.434 -1.295 1
1 583 . 19 1 1 A 45 45 GLU HA H 45 5.423 5.255 0.168 1
1 584 . 19 1 1 A 45 45 GLU CB C 45 32.891 31.622 1.269 1
1 590 . 19 1 1 A 45 45 GLU C C 45 174.621 176.091 -1.470 1
1 591 . 19 1 1 A 46 46 VAL N N 46 123.694 120.127 3.567 1
1 592 . 19 1 1 A 46 46 VAL H H 46 9.089 8.967 0.122 1
1 593 . 19 1 1 A 46 46 VAL CA C 46 59.627 59.257 0.370 1
1 594 . 19 1 1 A 46 46 VAL HA H 46 4.669 5.076 -0.407 1
1 595 . 19 1 1 A 46 46 VAL CB C 46 35.290 35.863 -0.573 1
1 604 . 19 1 1 A 46 46 VAL C C 46 173.234 173.447 -0.213 1
1 605 . 19 1 1 A 47 47 LYS N N 47 124.893 121.895 2.998 1
1 606 . 19 1 1 A 47 47 LYS H H 47 8.455 8.685 -0.230 1
1 607 . 19 1 1 A 47 47 LYS CA C 47 55.404 54.804 0.600 1
1 608 . 19 1 1 A 47 47 LYS HA H 47 5.022 5.208 -0.186 1
1 609 . 19 1 1 A 47 47 LYS CB C 47 33.959 34.915 -0.956 1
1 619 . 19 1 1 A 47 47 LYS C C 47 175.899 174.901 0.998 1
1 620 . 19 1 1 A 48 48 ILE N N 48 124.447 127.888 -3.441 1
1 621 . 19 1 1 A 48 48 ILE H H 48 8.989 9.099 -0.110 1
1 622 . 19 1 1 A 48 48 ILE CA C 48 59.646 59.922 -0.276 1
1 623 . 19 1 1 A 48 48 ILE HA H 48 4.529 4.993 -0.464 1
1 624 . 19 1 1 A 48 48 ILE CB C 48 41.170 40.462 0.708 1
1 637 . 19 1 1 A 48 48 ILE C C 48 174.144 174.850 -0.706 1
1 638 . 19 1 1 A 49 49 THR N N 49 121.012 123.390 -2.378 1
1 639 . 19 1 1 A 49 49 THR H H 49 8.570 8.833 -0.263 1
1 640 . 19 1 1 A 49 49 THR CA C 49 61.301 61.870 -0.569 1
1 641 . 19 1 1 A 49 49 THR HA H 49 5.272 5.490 -0.218 1
1 642 . 19 1 1 A 49 49 THR CB C 49 69.853 70.135 -0.282 1
1 648 . 19 1 1 A 49 49 THR C C 49 174.318 173.851 0.467 1
1 649 . 19 1 1 A 50 50 VAL N N 50 126.754 126.323 0.431 1
1 650 . 19 1 1 A 50 50 VAL H H 50 9.104 9.039 0.065 1
1 651 . 19 1 1 A 50 50 VAL CA C 50 61.070 61.382 -0.312 1
1 652 . 19 1 1 A 50 50 VAL HA H 50 4.292 4.497 -0.205 1
1 653 . 19 1 1 A 50 50 VAL CB C 50 34.452 34.462 -0.010 1
1 663 . 19 1 1 A 50 50 VAL C C 50 175.899 176.127 -0.228 1
1 664 . 19 1 1 A 51 51 ASN N N 51 127.590 127.303 0.287 1
1 665 . 19 1 1 A 51 51 ASN H H 51 9.619 9.453 0.166 1
1 666 . 19 1 1 A 51 51 ASN CA C 51 54.177 54.660 -0.483 1
1 667 . 19 1 1 A 51 51 ASN HA H 51 4.390 4.484 -0.094 1
1 668 . 19 1 1 A 51 51 ASN CB C 51 37.413 37.307 0.106 1
1 671 . 19 1 1 A 51 51 ASN C C 51 175.249 175.614 -0.365 1
1 672 . 19 1 1 A 52 52 GLY N N 52 102.845 104.865 -2.020 1
1 673 . 19 1 1 A 52 52 GLY H H 52 8.535 8.784 -0.249 1
1 674 . 19 1 1 A 52 52 GLY CA C 52 45.443 45.570 -0.127 1
1 675 . 19 1 1 A 52 52 GLY HA2 H 52 3.555 3.910 -0.355 1
1 676 . 19 1 1 A 52 52 GLY HA3 H 52 4.120 3.914 0.206 1
1 677 . 19 1 1 A 52 52 GLY C C 52 176.398 173.773 2.625 1
1 678 . 19 1 1 A 53 53 LYS N N 53 121.989 120.159 1.830 1
1 679 . 19 1 1 A 53 53 LYS H H 53 7.849 8.142 -0.293 1
1 680 . 19 1 1 A 53 53 LYS CA C 53 54.807 54.186 0.621 1
1 681 . 19 1 1 A 53 53 LYS HA H 53 4.641 4.670 -0.029 1
1 682 . 19 1 1 A 53 53 LYS CB C 53 34.440 34.722 -0.282 1
1 694 . 19 1 1 A 53 53 LYS C C 53 174.513 175.055 -0.542 1
1 695 . 19 1 1 A 54 54 THR N N 54 118.860 116.618 2.242 1
1 696 . 19 1 1 A 54 54 THR H H 54 8.445 8.493 -0.048 1
1 697 . 19 1 1 A 54 54 THR CA C 54 62.074 61.790 0.284 1
1 698 . 19 1 1 A 54 54 THR HA H 54 5.167 4.703 0.464 1
1 699 . 19 1 1 A 54 54 THR CB C 54 70.071 69.343 0.728 1
1 705 . 19 1 1 A 54 54 THR C C 54 173.689 173.583 0.106 1
1 706 . 19 1 1 A 55 55 TYR N N 55 125.966 125.923 0.043 1
1 707 . 19 1 1 A 55 55 TYR H H 55 9.319 9.522 -0.203 1
1 708 . 19 1 1 A 55 55 TYR CA C 55 56.507 56.322 0.185 1
1 709 . 19 1 1 A 55 55 TYR HA H 55 4.767 5.196 -0.429 1
1 710 . 19 1 1 A 55 55 TYR CB C 55 40.591 43.498 -2.907 1
1 721 . 19 1 1 A 55 55 TYR C C 55 173.538 175.116 -1.578 1
1 722 . 19 1 1 A 56 56 GLU N N 56 119.827 121.197 -1.370 1
1 723 . 19 1 1 A 56 56 GLU H H 56 8.568 8.863 -0.295 1
1 724 . 19 1 1 A 56 56 GLU CA C 56 54.503 55.380 -0.877 1
1 725 . 19 1 1 A 56 56 GLU HA H 56 5.247 5.366 -0.119 1
1 726 . 19 1 1 A 56 56 GLU CB C 56 30.297 32.793 -2.496 1
1 732 . 19 1 1 A 56 56 GLU C C 56 175.726 175.105 0.621 1
1 733 . 19 1 1 A 57 57 ARG N N 57 123.399 122.538 0.861 1
1 734 . 19 1 1 A 57 57 ARG H H 57 8.971 8.983 -0.012 1
1 735 . 19 1 1 A 57 57 ARG CA C 57 54.944 54.346 0.598 1
1 736 . 19 1 1 A 57 57 ARG HA H 57 4.710 5.065 -0.355 1
1 737 . 19 1 1 A 57 57 ARG CB C 57 33.362 34.010 -0.648 1
1 746 . 19 1 1 A 57 57 ARG C C 57 174.166 174.703 -0.537 1
1 747 . 19 1 1 A 58 58 GLN N N 58 120.188 119.156 1.032 1
1 748 . 19 1 1 A 58 58 GLN H H 58 8.634 8.470 0.164 1
1 749 . 19 1 1 A 58 58 GLN CA C 58 53.251 55.032 -1.781 1
1 750 . 19 1 1 A 58 58 GLN HA H 58 5.602 5.184 0.418 1
1 751 . 19 1 1 A 58 58 GLN CB C 58 31.229 30.453 0.776 1
1 760 . 19 1 1 A 58 58 GLN C C 58 175.726 175.556 0.170 1
1 761 . 19 1 1 A 59 59 GLY N N 59 107.196 108.566 -1.370 1
1 762 . 19 1 1 A 59 59 GLY H H 59 8.644 9.003 -0.359 1
1 763 . 19 1 1 A 59 59 GLY CA C 59 45.583 44.723 0.860 1
1 764 . 19 1 1 A 59 59 GLY HA2 H 59 3.947 4.503 -0.556 1
1 765 . 19 1 1 A 59 59 GLY HA3 H 59 3.947 4.517 -0.570 1
1 766 . 19 1 1 A 59 59 GLY C C 59 170.223 171.999 -1.776 1
1 767 . 19 1 1 A 60 60 PHE N N 60 119.079 119.278 -0.199 1
1 768 . 19 1 1 A 60 60 PHE H H 60 9.178 8.652 0.526 1
1 769 . 19 1 1 A 60 60 PHE CA C 60 58.544 58.124 0.420 1
1 770 . 19 1 1 A 60 60 PHE HA H 60 5.668 5.234 0.434 1
1 771 . 19 1 1 A 60 60 PHE CB C 60 42.484 40.498 1.986 1
1 784 . 19 1 1 A 60 60 PHE C C 60 175.423 175.835 -0.412 1
1 785 . 19 1 1 A 61 61 VAL N N 61 111.060 117.062 -6.002 1
1 786 . 19 1 1 A 61 61 VAL H H 61 9.089 8.991 0.098 1
1 787 . 19 1 1 A 61 61 VAL CA C 61 58.189 58.526 -0.337 1
1 788 . 19 1 1 A 61 61 VAL HA H 61 4.833 4.952 -0.119 1
1 789 . 19 1 1 A 61 61 VAL CB C 61 33.744 34.945 -1.201 1
1 800 . 19 1 1 A 62 62 PRO CA C 62 61.852 62.096 -0.244 1
1 801 . 19 1 1 A 62 62 PRO HA H 62 3.572 4.202 -0.630 1
1 802 . 19 1 1 A 62 62 PRO CB C 62 29.704 30.787 -1.083 1
1 810 . 19 1 1 A 62 62 PRO C C 62 177.719 177.305 0.414 1
1 811 . 19 1 1 A 63 63 ALA N N 63 129.142 128.012 1.130 1
1 812 . 19 1 1 A 63 63 ALA H H 63 7.477 8.308 -0.831 1
1 813 . 19 1 1 A 63 63 ALA CA C 63 54.472 54.473 -0.001 1
1 814 . 19 1 1 A 63 63 ALA HA H 63 2.655 3.570 -0.915 1
1 818 . 19 1 1 A 63 63 ALA CB C 63 15.740 16.709 -0.969 1
1 819 . 19 1 1 A 63 63 ALA C C 63 178.434 179.661 -1.227 1
1 820 . 19 1 1 A 64 64 ALA N N 64 113.410 119.079 -5.669 1
1 821 . 19 1 1 A 64 64 ALA H H 64 7.857 8.090 -0.233 1
1 822 . 19 1 1 A 64 64 ALA CA C 64 52.991 54.162 -1.171 1
1 823 . 19 1 1 A 64 64 ALA HA H 64 4.006 3.996 0.010 1
1 827 . 19 1 1 A 64 64 ALA CB C 64 17.605 18.165 -0.560 1
1 828 . 19 1 1 A 64 64 ALA C C 64 178.109 178.138 -0.029 1
1 829 . 19 1 1 A 65 65 TYR N N 65 116.059 116.874 -0.815 1
1 830 . 19 1 1 A 65 65 TYR H H 65 7.705 7.833 -0.128 1
1 831 . 19 1 1 A 65 65 TYR CA C 65 56.477 58.280 -1.803 1
1 832 . 19 1 1 A 65 65 TYR HA H 65 4.758 4.646 0.112 1
1 833 . 19 1 1 A 65 65 TYR CB C 65 37.765 39.088 -1.323 1
1 844 . 19 1 1 A 65 65 TYR C C 65 174.361 175.586 -1.225 1
1 845 . 19 1 1 A 66 66 VAL N N 66 111.003 115.522 -4.519 1
1 846 . 19 1 1 A 66 66 VAL H H 66 7.422 7.564 -0.142 1
1 847 . 19 1 1 A 66 66 VAL CA C 66 58.268 59.013 -0.745 1
1 848 . 19 1 1 A 66 66 VAL HA H 66 5.547 4.983 0.564 1
1 849 . 19 1 1 A 66 66 VAL CB C 66 35.809 36.701 -0.892 1
1 859 . 19 1 1 A 66 66 VAL C C 66 173.538 173.803 -0.265 1
1 860 . 19 1 1 A 67 67 LYS N N 67 118.514 119.096 -0.582 1
1 861 . 19 1 1 A 67 67 LYS H H 67 8.636 8.961 -0.325 1
1 862 . 19 1 1 A 67 67 LYS CA C 67 53.828 54.905 -1.077 1
1 863 . 19 1 1 A 67 67 LYS HA H 67 4.840 5.127 -0.287 1
1 864 . 19 1 1 A 67 67 LYS CB C 67 36.636 35.954 0.682 1
1 876 . 19 1 1 A 67 67 LYS C C 67 176.029 174.557 1.472 1
1 877 . 19 1 1 A 68 68 LYS N N 68 125.817 123.661 2.156 1
1 878 . 19 1 1 A 68 68 LYS H H 68 9.246 8.756 0.490 1
1 879 . 19 1 1 A 68 68 LYS CA C 68 58.514 57.314 1.200 1
1 880 . 19 1 1 A 68 68 LYS HA H 68 4.494 4.184 0.310 1
1 881 . 19 1 1 A 68 68 LYS CB C 68 32.893 33.196 -0.303 1
1 891 . 19 1 1 A 68 68 LYS C C 68 176.679 177.764 -1.085 1
1 892 . 19 1 1 A 69 69 LEU N N 69 125.294 129.280 -3.986 1
1 893 . 19 1 1 A 69 69 LEU H H 69 8.506 8.749 -0.243 1
1 894 . 19 1 1 A 69 69 LEU CA C 69 54.873 58.423 -3.550 1
1 895 . 19 1 1 A 69 69 LEU HA H 69 4.429 4.045 0.384 1
1 896 . 19 1 1 A 69 69 LEU CB C 69 42.631 41.277 1.354 1
1 909 . 19 1 1 A 69 69 LEU C C 69 176.203 178.543 -2.340 1
1 10 . 20 1 1 A 2 2 ASP N N 2 123.392 118.357 5.035 1
1 11 . 20 1 1 A 2 2 ASP H H 2 8.830 8.086 0.744 1
1 12 . 20 1 1 A 2 2 ASP CA C 2 54.029 53.084 0.945 1
1 13 . 20 1 1 A 2 2 ASP HA H 2 4.699 5.037 -0.338 1
1 14 . 20 1 1 A 2 2 ASP CB C 2 40.198 40.763 -0.565 1
1 17 . 20 1 1 A 2 2 ASP C C 2 175.639 176.246 -0.607 1
1 18 . 20 1 1 A 3 3 GLU N N 3 121.824 121.394 0.430 1
1 19 . 20 1 1 A 3 3 GLU H H 3 8.663 8.279 0.384 1
1 20 . 20 1 1 A 3 3 GLU CA C 3 56.162 58.215 -2.053 1
1 21 . 20 1 1 A 3 3 GLU HA H 3 4.406 4.251 0.155 1
1 22 . 20 1 1 A 3 3 GLU CB C 3 28.702 30.583 -1.881 1
1 28 . 20 1 1 A 3 3 GLU C C 3 176.354 176.725 -0.371 1
1 29 . 20 1 1 A 4 4 THR N N 4 114.607 112.845 1.762 1
1 30 . 20 1 1 A 4 4 THR H H 4 8.285 7.582 0.703 1
1 31 . 20 1 1 A 4 4 THR CA C 4 62.425 62.723 -0.298 1
1 32 . 20 1 1 A 4 4 THR HA H 4 4.267 4.648 -0.381 1
1 33 . 20 1 1 A 4 4 THR CB C 4 69.672 71.978 -2.306 1
1 39 . 20 1 1 A 4 4 THR C C 4 175.271 174.566 0.705 1
1 40 . 20 1 1 A 5 5 GLY N N 5 111.345 109.124 2.221 1
1 41 . 20 1 1 A 5 5 GLY H H 5 8.436 7.897 0.539 1
1 42 . 20 1 1 A 5 5 GLY CA C 5 45.297 45.512 -0.215 1
1 43 . 20 1 1 A 5 5 GLY HA2 H 5 3.942 3.993 -0.051 1
1 44 . 20 1 1 A 5 5 GLY HA3 H 5 3.942 3.994 -0.052 1
1 45 . 20 1 1 A 5 5 GLY C C 5 173.668 174.515 -0.847 1
1 46 . 20 1 1 A 6 6 LYS N N 6 119.783 119.139 0.644 1
1 47 . 20 1 1 A 6 6 LYS H H 6 8.017 8.088 -0.071 1
1 48 . 20 1 1 A 6 6 LYS CA C 6 55.538 57.108 -1.570 1
1 49 . 20 1 1 A 6 6 LYS HA H 6 4.387 4.494 -0.107 1
1 50 . 20 1 1 A 6 6 LYS CB C 6 33.257 35.169 -1.912 1
1 62 . 20 1 1 A 6 6 LYS C C 6 176.029 175.959 0.070 1
1 63 . 20 1 1 A 7 7 GLU N N 7 122.414 116.516 5.898 1
1 64 . 20 1 1 A 7 7 GLU H H 7 8.584 7.755 0.829 1
1 65 . 20 1 1 A 7 7 GLU CA C 7 55.404 55.291 0.113 1
1 66 . 20 1 1 A 7 7 GLU HA H 7 4.495 4.661 -0.166 1
1 67 . 20 1 1 A 7 7 GLU CB C 7 30.382 32.525 -2.143 1
1 73 . 20 1 1 A 7 7 GLU C C 7 174.014 174.661 -0.647 1
1 74 . 20 1 1 A 8 8 LEU N N 8 122.989 127.505 -4.516 1
1 75 . 20 1 1 A 8 8 LEU H H 8 8.414 8.592 -0.178 1
1 76 . 20 1 1 A 8 8 LEU CA C 8 53.188 53.654 -0.466 1
1 77 . 20 1 1 A 8 8 LEU HA H 8 5.381 5.156 0.225 1
1 78 . 20 1 1 A 8 8 LEU CB C 8 45.173 44.829 0.344 1
1 90 . 20 1 1 A 8 8 LEU C C 8 177.329 175.637 1.692 1
1 91 . 20 1 1 A 9 9 VAL N N 9 111.709 118.882 -7.173 1
1 92 . 20 1 1 A 9 9 VAL H H 9 9.125 9.061 0.064 1
1 93 . 20 1 1 A 9 9 VAL CA C 9 57.854 59.523 -1.669 1
1 94 . 20 1 1 A 9 9 VAL HA H 9 5.232 5.138 0.094 1
1 95 . 20 1 1 A 9 9 VAL CB C 9 35.864 35.644 0.220 1
1 105 . 20 1 1 A 9 9 VAL C C 9 172.368 173.822 -1.454 1
1 106 . 20 1 1 A 10 10 LEU N N 10 123.520 127.460 -3.940 1
1 107 . 20 1 1 A 10 10 LEU H H 10 8.989 8.985 0.004 1
1 108 . 20 1 1 A 10 10 LEU CA C 10 52.445 53.682 -1.237 1
1 109 . 20 1 1 A 10 10 LEU HA H 10 5.113 5.230 -0.117 1
1 110 . 20 1 1 A 10 10 LEU CB C 10 46.776 44.593 2.183 1
1 123 . 20 1 1 A 10 10 LEU C C 10 176.549 175.658 0.891 1
1 124 . 20 1 1 A 11 11 ALA N N 11 127.272 128.744 -1.472 1
1 125 . 20 1 1 A 11 11 ALA H H 11 9.163 8.874 0.289 1
1 126 . 20 1 1 A 11 11 ALA CA C 11 52.416 52.378 0.038 1
1 127 . 20 1 1 A 11 11 ALA HA H 11 4.602 4.493 0.109 1
1 131 . 20 1 1 A 11 11 ALA CB C 11 19.274 18.738 0.536 1
1 132 . 20 1 1 A 11 11 ALA C C 11 178.282 176.971 1.311 1
1 133 . 20 1 1 A 12 12 LEU N N 12 127.769 125.092 2.677 1
1 134 . 20 1 1 A 12 12 LEU H H 12 9.257 9.089 0.168 1
1 135 . 20 1 1 A 12 12 LEU CA C 12 55.442 56.019 -0.577 1
1 136 . 20 1 1 A 12 12 LEU HA H 12 3.898 4.333 -0.435 1
1 137 . 20 1 1 A 12 12 LEU CB C 12 43.110 42.621 0.489 1
1 150 . 20 1 1 A 12 12 LEU C C 12 174.946 176.265 -1.319 1
1 151 . 20 1 1 A 13 13 TYR N N 13 111.673 115.427 -3.754 1
1 152 . 20 1 1 A 13 13 TYR H H 13 7.129 8.139 -1.010 1
1 153 . 20 1 1 A 13 13 TYR CA C 13 54.720 56.870 -2.150 1
1 154 . 20 1 1 A 13 13 TYR HA H 13 4.633 4.924 -0.291 1
1 155 . 20 1 1 A 13 13 TYR CB C 13 43.043 41.804 1.239 1
1 166 . 20 1 1 A 13 13 TYR C C 13 173.668 174.822 -1.154 1
1 167 . 20 1 1 A 14 14 ASP N N 14 117.814 119.110 -1.296 1
1 168 . 20 1 1 A 14 14 ASP H H 14 8.347 9.042 -0.695 1
1 169 . 20 1 1 A 14 14 ASP CA C 14 54.571 52.870 1.701 1
1 170 . 20 1 1 A 14 14 ASP HA H 14 4.633 5.670 -1.037 1
1 171 . 20 1 1 A 14 14 ASP CB C 14 41.136 43.492 -2.356 1
1 174 . 20 1 1 A 14 14 ASP C C 14 176.051 174.414 1.637 1
1 175 . 20 1 1 A 15 15 TYR N N 15 120.213 123.115 -2.902 1
1 176 . 20 1 1 A 15 15 TYR H H 15 8.748 9.074 -0.326 1
1 177 . 20 1 1 A 15 15 TYR CA C 15 59.454 57.068 2.386 1
1 178 . 20 1 1 A 15 15 TYR HA H 15 4.654 5.367 -0.713 1
1 179 . 20 1 1 A 15 15 TYR CB C 15 43.400 42.677 0.723 1
1 190 . 20 1 1 A 15 15 TYR C C 15 172.758 173.910 -1.152 1
1 191 . 20 1 1 A 16 16 GLN N N 16 126.986 122.958 4.028 1
1 192 . 20 1 1 A 16 16 GLN H H 16 7.558 7.823 -0.265 1
1 193 . 20 1 1 A 16 16 GLN CA C 16 53.534 53.380 0.154 1
1 194 . 20 1 1 A 16 16 GLN HA H 16 4.500 4.940 -0.440 1
1 195 . 20 1 1 A 16 16 GLN CB C 16 29.071 32.482 -3.411 1
1 204 . 20 1 1 A 16 16 GLN C C 16 173.863 174.059 -0.196 1
1 205 . 20 1 1 A 17 17 GLU N N 17 123.063 120.569 2.494 1
1 206 . 20 1 1 A 17 17 GLU H H 17 7.979 8.140 -0.161 1
1 207 . 20 1 1 A 17 17 GLU CA C 17 55.935 55.624 0.311 1
1 208 . 20 1 1 A 17 17 GLU HA H 17 4.182 4.729 -0.547 1
1 209 . 20 1 1 A 17 17 GLU CB C 17 28.948 31.069 -2.121 1
1 215 . 20 1 1 A 17 17 GLU C C 17 175.899 175.787 0.112 1
1 216 . 20 1 1 A 18 18 LYS N N 18 120.853 123.614 -2.761 1
1 217 . 20 1 1 A 18 18 LYS H H 18 8.771 8.982 -0.211 1
1 218 . 20 1 1 A 18 18 LYS CA C 18 55.393 57.423 -2.030 1
1 219 . 20 1 1 A 18 18 LYS HA H 18 4.390 4.444 -0.054 1
1 220 . 20 1 1 A 18 18 LYS CB C 18 33.393 35.095 -1.702 1
1 232 . 20 1 1 A 18 18 LYS C C 18 176.138 176.169 -0.031 1
1 233 . 20 1 1 A 19 19 SER N N 19 115.089 113.731 1.358 1
1 234 . 20 1 1 A 19 19 SER H H 19 7.658 7.954 -0.296 1
1 235 . 20 1 1 A 19 19 SER CA C 19 56.821 56.771 0.050 1
1 236 . 20 1 1 A 19 19 SER HA H 19 4.863 4.636 0.227 1
1 237 . 20 1 1 A 19 19 SER CB C 19 64.208 64.247 -0.039 1
1 241 . 20 1 1 A 20 20 PRO CA C 20 64.803 64.339 0.464 1
1 242 . 20 1 1 A 20 20 PRO HA H 20 4.521 4.559 -0.038 1
1 243 . 20 1 1 A 20 20 PRO CB C 20 31.657 31.753 -0.096 1
1 251 . 20 1 1 A 20 20 PRO C C 20 176.657 177.335 -0.678 1
1 252 . 20 1 1 A 21 21 ARG N N 21 113.827 116.178 -2.351 1
1 253 . 20 1 1 A 21 21 ARG H H 21 7.694 8.568 -0.874 1
1 254 . 20 1 1 A 21 21 ARG CA C 21 56.119 55.944 0.175 1
1 255 . 20 1 1 A 21 21 ARG HA H 21 4.593 4.408 0.185 1
1 256 . 20 1 1 A 21 21 ARG CB C 21 30.299 30.281 0.018 1
1 265 . 20 1 1 A 21 21 ARG C C 21 173.386 175.528 -2.142 1
1 266 . 20 1 1 A 22 22 GLU N N 22 121.389 119.955 1.434 1
1 267 . 20 1 1 A 22 22 GLU H H 22 7.850 7.596 0.254 1
1 268 . 20 1 1 A 22 22 GLU CA C 22 54.951 54.847 0.104 1
1 269 . 20 1 1 A 22 22 GLU HA H 22 5.487 5.012 0.475 1
1 270 . 20 1 1 A 22 22 GLU CB C 22 33.588 33.734 -0.146 1
1 276 . 20 1 1 A 22 22 GLU C C 22 174.491 175.537 -1.046 1
1 277 . 20 1 1 A 23 23 VAL N N 23 113.069 118.349 -5.280 1
1 278 . 20 1 1 A 23 23 VAL H H 23 7.410 8.990 -1.580 1
1 279 . 20 1 1 A 23 23 VAL CA C 23 59.793 59.691 0.102 1
1 280 . 20 1 1 A 23 23 VAL HA H 23 4.531 5.095 -0.564 1
1 281 . 20 1 1 A 23 23 VAL CB C 23 34.667 35.017 -0.350 1
1 291 . 20 1 1 A 23 23 VAL C C 23 172.541 174.460 -1.919 1
1 292 . 20 1 1 A 24 24 THR N N 24 118.283 119.970 -1.687 1
1 293 . 20 1 1 A 24 24 THR H H 24 7.362 8.540 -1.178 1
1 294 . 20 1 1 A 24 24 THR CA C 24 61.708 62.586 -0.878 1
1 295 . 20 1 1 A 24 24 THR HA H 24 5.085 4.737 0.348 1
1 296 . 20 1 1 A 24 24 THR CB C 24 70.934 69.350 1.584 1
1 302 . 20 1 1 A 24 24 THR C C 24 174.274 174.420 -0.146 1
1 303 . 20 1 1 A 25 25 MET N N 25 121.971 124.120 -2.149 1
1 304 . 20 1 1 A 25 25 MET H H 25 9.523 9.301 0.222 1
1 305 . 20 1 1 A 25 25 MET CA C 25 54.328 53.252 1.076 1
1 306 . 20 1 1 A 25 25 MET HA H 25 4.929 5.529 -0.600 1
1 307 . 20 1 1 A 25 25 MET CB C 25 36.287 36.368 -0.081 1
1 317 . 20 1 1 A 25 25 MET C C 25 173.841 174.598 -0.757 1
1 318 . 20 1 1 A 26 26 LYS N N 26 124.399 118.651 5.748 1
1 319 . 20 1 1 A 26 26 LYS H H 26 8.820 8.787 0.033 1
1 320 . 20 1 1 A 26 26 LYS CA C 26 53.699 54.505 -0.806 1
1 321 . 20 1 1 A 26 26 LYS HA H 26 4.879 4.944 -0.065 1
1 322 . 20 1 1 A 26 26 LYS CB C 26 34.097 36.551 -2.454 1
1 332 . 20 1 1 A 26 26 LYS C C 26 174.968 176.468 -1.500 1
1 333 . 20 1 1 A 27 27 LYS N N 27 122.619 121.703 0.916 1
1 334 . 20 1 1 A 27 27 LYS H H 27 9.013 8.591 0.422 1
1 335 . 20 1 1 A 27 27 LYS CA C 27 58.078 57.081 0.997 1
1 336 . 20 1 1 A 27 27 LYS HA H 27 4.837 4.393 0.444 1
1 337 . 20 1 1 A 27 27 LYS CB C 27 32.269 31.956 0.313 1
1 349 . 20 1 1 A 27 27 LYS C C 27 177.307 177.010 0.297 1
1 350 . 20 1 1 A 28 28 GLY N N 28 115.785 113.504 2.281 1
1 351 . 20 1 1 A 28 28 GLY H H 28 8.902 9.116 -0.214 1
1 352 . 20 1 1 A 28 28 GLY CA C 28 44.564 44.946 -0.382 1
1 353 . 20 1 1 A 28 28 GLY HA2 H 28 3.538 4.049 -0.511 1
1 354 . 20 1 1 A 28 28 GLY HA3 H 28 4.481 4.051 0.430 1
1 355 . 20 1 1 A 28 28 GLY C C 28 174.014 174.271 -0.257 1
1 356 . 20 1 1 A 29 29 ASP N N 29 122.243 121.452 0.791 1
1 357 . 20 1 1 A 29 29 ASP H H 29 8.511 8.437 0.074 1
1 358 . 20 1 1 A 29 29 ASP CA C 29 55.353 54.293 1.060 1
1 359 . 20 1 1 A 29 29 ASP HA H 29 4.523 4.762 -0.239 1
1 360 . 20 1 1 A 29 29 ASP CB C 29 41.146 42.463 -1.317 1
1 363 . 20 1 1 A 29 29 ASP C C 29 174.274 175.542 -1.268 1
1 364 . 20 1 1 A 30 30 ILE N N 30 120.587 123.509 -2.922 1
1 365 . 20 1 1 A 30 30 ILE H H 30 8.227 8.492 -0.265 1
1 366 . 20 1 1 A 30 30 ILE CA C 30 60.366 60.032 0.334 1
1 367 . 20 1 1 A 30 30 ILE HA H 30 5.036 4.914 0.122 1
1 368 . 20 1 1 A 30 30 ILE CB C 30 38.210 40.471 -2.261 1
1 381 . 20 1 1 A 30 30 ILE C C 30 176.246 174.858 1.388 1
1 382 . 20 1 1 A 31 31 LEU N N 31 128.265 127.809 0.456 1
1 383 . 20 1 1 A 31 31 LEU H H 31 9.353 9.230 0.123 1
1 384 . 20 1 1 A 31 31 LEU CA C 31 53.414 53.274 0.140 1
1 385 . 20 1 1 A 31 31 LEU HA H 31 5.010 5.124 -0.114 1
1 386 . 20 1 1 A 31 31 LEU CB C 31 43.893 45.402 -1.509 1
1 397 . 20 1 1 A 31 31 LEU C C 31 175.596 175.623 -0.027 1
1 398 . 20 1 1 A 32 32 THR N N 32 117.027 118.222 -1.195 1
1 399 . 20 1 1 A 32 32 THR H H 32 8.146 8.557 -0.411 1
1 400 . 20 1 1 A 32 32 THR CA C 32 63.046 62.057 0.989 1
1 401 . 20 1 1 A 32 32 THR HA H 32 4.629 4.792 -0.163 1
1 402 . 20 1 1 A 32 32 THR CB C 32 69.576 69.138 0.438 1
1 408 . 20 1 1 A 32 32 THR C C 32 173.559 174.789 -1.230 1
1 409 . 20 1 1 A 33 33 LEU N N 33 129.212 128.909 0.303 1
1 410 . 20 1 1 A 33 33 LEU H H 33 9.070 8.292 0.778 1
1 411 . 20 1 1 A 33 33 LEU CA C 33 54.894 56.203 -1.309 1
1 412 . 20 1 1 A 33 33 LEU HA H 33 4.351 4.310 0.041 1
1 413 . 20 1 1 A 33 33 LEU CB C 33 43.191 41.975 1.216 1
1 426 . 20 1 1 A 33 33 LEU C C 33 174.513 176.351 -1.838 1
1 427 . 20 1 1 A 34 34 LEU N N 34 125.818 130.030 -4.212 1
1 428 . 20 1 1 A 34 34 LEU H H 34 9.060 8.759 0.301 1
1 429 . 20 1 1 A 34 34 LEU CA C 34 54.885 55.717 -0.832 1
1 430 . 20 1 1 A 34 34 LEU HA H 34 4.523 4.564 -0.041 1
1 431 . 20 1 1 A 34 34 LEU CB C 34 42.990 43.445 -0.455 1
1 443 . 20 1 1 A 34 34 LEU C C 34 177.502 175.900 1.602 1
1 444 . 20 1 1 A 35 35 ASN N N 35 114.008 117.518 -3.510 1
1 445 . 20 1 1 A 35 35 ASN H H 35 7.617 8.324 -0.707 1
1 446 . 20 1 1 A 35 35 ASN CA C 35 54.502 52.210 2.292 1
1 447 . 20 1 1 A 35 35 ASN HA H 35 4.736 5.026 -0.290 1
1 448 . 20 1 1 A 35 35 ASN CB C 35 40.933 41.208 -0.275 1
1 454 . 20 1 1 A 35 35 ASN C C 35 174.318 174.387 -0.069 1
1 455 . 20 1 1 A 36 36 SER N N 36 123.608 118.242 5.366 1
1 456 . 20 1 1 A 36 36 SER H H 36 9.172 8.351 0.821 1
1 457 . 20 1 1 A 36 36 SER CA C 36 56.915 56.716 0.199 1
1 458 . 20 1 1 A 36 36 SER HA H 36 3.940 4.426 -0.486 1
1 459 . 20 1 1 A 36 36 SER CB C 36 62.042 62.811 -0.769 1
1 462 . 20 1 1 A 36 36 SER C C 36 173.364 175.335 -1.971 1
1 463 . 20 1 1 A 37 37 THR N N 37 115.130 115.822 -0.692 1
1 464 . 20 1 1 A 37 37 THR H H 37 8.184 7.665 0.519 1
1 465 . 20 1 1 A 37 37 THR CA C 37 65.381 65.235 0.146 1
1 466 . 20 1 1 A 37 37 THR HA H 37 3.980 3.967 0.013 1
1 467 . 20 1 1 A 37 37 THR CB C 37 69.489 69.203 0.286 1
1 473 . 20 1 1 A 37 37 THR C C 37 175.249 174.377 0.872 1
1 474 . 20 1 1 A 38 38 ASN N N 38 122.469 117.783 4.686 1
1 475 . 20 1 1 A 38 38 ASN H H 38 8.681 8.331 0.350 1
1 476 . 20 1 1 A 38 38 ASN CA C 38 53.337 52.105 1.232 1
1 477 . 20 1 1 A 38 38 ASN HA H 38 4.867 5.210 -0.343 1
1 478 . 20 1 1 A 38 38 ASN CB C 38 40.376 40.626 -0.250 1
1 484 . 20 1 1 A 38 38 ASN C C 38 174.599 175.596 -0.997 1
1 485 . 20 1 1 A 39 39 LYS N N 39 120.915 119.711 1.204 1
1 486 . 20 1 1 A 39 39 LYS H H 39 8.516 8.515 0.001 1
1 487 . 20 1 1 A 39 39 LYS CA C 39 58.333 56.888 1.445 1
1 488 . 20 1 1 A 39 39 LYS HA H 39 4.247 4.807 -0.560 1
1 489 . 20 1 1 A 39 39 LYS CB C 39 32.371 34.577 -2.206 1
1 499 . 20 1 1 A 39 39 LYS C C 39 176.268 177.229 -0.961 1
1 500 . 20 1 1 A 40 40 ASP N N 40 114.512 117.871 -3.359 1
1 501 . 20 1 1 A 40 40 ASP H H 40 8.210 8.097 0.113 1
1 502 . 20 1 1 A 40 40 ASP CA C 40 55.083 55.847 -0.764 1
1 503 . 20 1 1 A 40 40 ASP HA H 40 4.544 4.411 0.133 1
1 504 . 20 1 1 A 40 40 ASP CB C 40 43.014 42.332 0.682 1
1 507 . 20 1 1 A 40 40 ASP C C 40 176.852 175.593 1.259 1
1 508 . 20 1 1 A 41 41 TRP N N 41 122.703 116.320 6.383 1
1 509 . 20 1 1 A 41 41 TRP H H 41 8.212 7.995 0.217 1
1 510 . 20 1 1 A 41 41 TRP CA C 41 56.005 55.941 0.064 1
1 511 . 20 1 1 A 41 41 TRP HA H 41 5.078 5.223 -0.145 1
1 512 . 20 1 1 A 41 41 TRP CB C 41 32.019 30.192 1.827 1
1 527 . 20 1 1 A 41 41 TRP C C 41 174.166 175.576 -1.410 1
1 528 . 20 1 1 A 42 42 TRP N N 42 124.905 124.593 0.312 1
1 529 . 20 1 1 A 42 42 TRP H H 42 9.380 9.414 -0.034 1
1 530 . 20 1 1 A 42 42 TRP CA C 42 53.861 55.535 -1.674 1
1 531 . 20 1 1 A 42 42 TRP HA H 42 5.523 5.260 0.263 1
1 532 . 20 1 1 A 42 42 TRP CB C 42 31.543 31.529 0.014 1
1 547 . 20 1 1 A 42 42 TRP C C 42 174.144 175.333 -1.189 1
1 548 . 20 1 1 A 43 43 LYS N N 43 124.120 124.715 -0.595 1
1 549 . 20 1 1 A 43 43 LYS H H 43 8.896 8.901 -0.005 1
1 550 . 20 1 1 A 43 43 LYS CA C 43 55.231 55.002 0.229 1
1 551 . 20 1 1 A 43 43 LYS HA H 43 4.396 5.084 -0.688 1
1 552 . 20 1 1 A 43 43 LYS CB C 43 34.366 33.933 0.433 1
1 564 . 20 1 1 A 43 43 LYS C C 43 175.423 175.938 -0.515 1
1 565 . 20 1 1 A 44 44 VAL N N 44 121.984 120.816 1.168 1
1 566 . 20 1 1 A 44 44 VAL H H 44 9.430 9.128 0.302 1
1 567 . 20 1 1 A 44 44 VAL CA C 44 58.751 59.480 -0.729 1
1 568 . 20 1 1 A 44 44 VAL HA H 44 5.375 5.024 0.351 1
1 569 . 20 1 1 A 44 44 VAL CB C 44 36.378 35.074 1.304 1
1 579 . 20 1 1 A 44 44 VAL C C 44 173.234 173.679 -0.445 1
1 580 . 20 1 1 A 45 45 GLU N N 45 118.425 121.380 -2.955 1
1 581 . 20 1 1 A 45 45 GLU H H 45 8.757 8.851 -0.094 1
1 582 . 20 1 1 A 45 45 GLU CA C 45 54.139 54.840 -0.701 1
1 583 . 20 1 1 A 45 45 GLU HA H 45 5.423 5.377 0.046 1
1 584 . 20 1 1 A 45 45 GLU CB C 45 32.891 33.574 -0.683 1
1 590 . 20 1 1 A 45 45 GLU C C 45 174.621 174.983 -0.362 1
1 591 . 20 1 1 A 46 46 VAL N N 46 123.694 120.088 3.606 1
1 592 . 20 1 1 A 46 46 VAL H H 46 9.089 8.933 0.156 1
1 593 . 20 1 1 A 46 46 VAL CA C 46 59.627 58.791 0.836 1
1 594 . 20 1 1 A 46 46 VAL HA H 46 4.669 5.058 -0.389 1
1 595 . 20 1 1 A 46 46 VAL CB C 46 35.290 35.397 -0.107 1
1 604 . 20 1 1 A 46 46 VAL C C 46 173.234 173.568 -0.334 1
1 605 . 20 1 1 A 47 47 LYS N N 47 124.893 122.290 2.603 1
1 606 . 20 1 1 A 47 47 LYS H H 47 8.455 8.764 -0.309 1
1 607 . 20 1 1 A 47 47 LYS CA C 47 55.404 54.707 0.697 1
1 608 . 20 1 1 A 47 47 LYS HA H 47 5.022 5.364 -0.342 1
1 609 . 20 1 1 A 47 47 LYS CB C 47 33.959 34.902 -0.943 1
1 619 . 20 1 1 A 47 47 LYS C C 47 175.899 175.084 0.815 1
1 620 . 20 1 1 A 48 48 ILE N N 48 124.447 128.560 -4.113 1
1 621 . 20 1 1 A 48 48 ILE H H 48 8.989 9.253 -0.264 1
1 622 . 20 1 1 A 48 48 ILE CA C 48 59.646 60.002 -0.356 1
1 623 . 20 1 1 A 48 48 ILE HA H 48 4.529 4.872 -0.343 1
1 624 . 20 1 1 A 48 48 ILE CB C 48 41.170 39.543 1.627 1
1 637 . 20 1 1 A 48 48 ILE C C 48 174.144 174.865 -0.721 1
1 638 . 20 1 1 A 49 49 THR N N 49 121.012 123.118 -2.106 1
1 639 . 20 1 1 A 49 49 THR H H 49 8.570 9.018 -0.448 1
1 640 . 20 1 1 A 49 49 THR CA C 49 61.301 62.233 -0.932 1
1 641 . 20 1 1 A 49 49 THR HA H 49 5.272 4.997 0.275 1
1 642 . 20 1 1 A 49 49 THR CB C 49 69.853 69.178 0.675 1
1 648 . 20 1 1 A 49 49 THR C C 49 174.318 174.082 0.236 1
1 649 . 20 1 1 A 50 50 VAL N N 50 126.754 126.864 -0.110 1
1 650 . 20 1 1 A 50 50 VAL H H 50 9.104 9.258 -0.154 1
1 651 . 20 1 1 A 50 50 VAL CA C 50 61.070 61.458 -0.388 1
1 652 . 20 1 1 A 50 50 VAL HA H 50 4.292 4.532 -0.240 1
1 653 . 20 1 1 A 50 50 VAL CB C 50 34.452 34.678 -0.226 1
1 663 . 20 1 1 A 50 50 VAL C C 50 175.899 176.242 -0.343 1
1 664 . 20 1 1 A 51 51 ASN N N 51 127.590 127.278 0.312 1
1 665 . 20 1 1 A 51 51 ASN H H 51 9.619 9.474 0.145 1
1 666 . 20 1 1 A 51 51 ASN CA C 51 54.177 54.847 -0.670 1
1 667 . 20 1 1 A 51 51 ASN HA H 51 4.390 4.503 -0.113 1
1 668 . 20 1 1 A 51 51 ASN CB C 51 37.413 37.380 0.033 1
1 671 . 20 1 1 A 51 51 ASN C C 51 175.249 175.630 -0.381 1
1 672 . 20 1 1 A 52 52 GLY N N 52 102.845 103.593 -0.748 1
1 673 . 20 1 1 A 52 52 GLY H H 52 8.535 8.676 -0.141 1
1 674 . 20 1 1 A 52 52 GLY CA C 52 45.443 45.696 -0.253 1
1 675 . 20 1 1 A 52 52 GLY HA2 H 52 3.555 3.877 -0.322 1
1 676 . 20 1 1 A 52 52 GLY HA3 H 52 4.120 3.878 0.242 1
1 677 . 20 1 1 A 52 52 GLY C C 52 176.398 173.811 2.587 1
1 678 . 20 1 1 A 53 53 LYS N N 53 121.989 120.507 1.482 1
1 679 . 20 1 1 A 53 53 LYS H H 53 7.849 7.991 -0.142 1
1 680 . 20 1 1 A 53 53 LYS CA C 53 54.807 54.581 0.226 1
1 681 . 20 1 1 A 53 53 LYS HA H 53 4.641 4.517 0.124 1
1 682 . 20 1 1 A 53 53 LYS CB C 53 34.440 34.556 -0.116 1
1 694 . 20 1 1 A 53 53 LYS C C 53 174.513 175.807 -1.294 1
1 695 . 20 1 1 A 54 54 THR N N 54 118.860 117.018 1.842 1
1 696 . 20 1 1 A 54 54 THR H H 54 8.445 8.581 -0.136 1
1 697 . 20 1 1 A 54 54 THR CA C 54 62.074 61.654 0.420 1
1 698 . 20 1 1 A 54 54 THR HA H 54 5.167 4.449 0.718 1
1 699 . 20 1 1 A 54 54 THR CB C 54 70.071 69.657 0.414 1
1 705 . 20 1 1 A 54 54 THR C C 54 173.689 173.817 -0.128 1
1 706 . 20 1 1 A 55 55 TYR N N 55 125.966 122.507 3.459 1
1 707 . 20 1 1 A 55 55 TYR H H 55 9.319 9.605 -0.286 1
1 708 . 20 1 1 A 55 55 TYR CA C 55 56.507 56.225 0.282 1
1 709 . 20 1 1 A 55 55 TYR HA H 55 4.767 5.084 -0.317 1
1 710 . 20 1 1 A 55 55 TYR CB C 55 40.591 42.262 -1.671 1
1 721 . 20 1 1 A 55 55 TYR C C 55 173.538 175.250 -1.712 1
1 722 . 20 1 1 A 56 56 GLU N N 56 119.827 121.209 -1.382 1
1 723 . 20 1 1 A 56 56 GLU H H 56 8.568 8.909 -0.341 1
1 724 . 20 1 1 A 56 56 GLU CA C 56 54.503 55.191 -0.688 1
1 725 . 20 1 1 A 56 56 GLU HA H 56 5.247 5.647 -0.400 1
1 726 . 20 1 1 A 56 56 GLU CB C 56 30.297 32.821 -2.524 1
1 732 . 20 1 1 A 56 56 GLU C C 56 175.726 175.403 0.323 1
1 733 . 20 1 1 A 57 57 ARG N N 57 123.399 121.041 2.358 1
1 734 . 20 1 1 A 57 57 ARG H H 57 8.971 8.633 0.338 1
1 735 . 20 1 1 A 57 57 ARG CA C 57 54.944 54.664 0.280 1
1 736 . 20 1 1 A 57 57 ARG HA H 57 4.710 5.058 -0.348 1
1 737 . 20 1 1 A 57 57 ARG CB C 57 33.362 33.909 -0.547 1
1 746 . 20 1 1 A 57 57 ARG C C 57 174.166 174.135 0.031 1
1 747 . 20 1 1 A 58 58 GLN N N 58 120.188 121.688 -1.500 1
1 748 . 20 1 1 A 58 58 GLN H H 58 8.634 8.562 0.072 1
1 749 . 20 1 1 A 58 58 GLN CA C 58 53.251 54.711 -1.460 1
1 750 . 20 1 1 A 58 58 GLN HA H 58 5.602 5.197 0.405 1
1 751 . 20 1 1 A 58 58 GLN CB C 58 31.229 30.146 1.083 1
1 760 . 20 1 1 A 58 58 GLN C C 58 175.726 175.411 0.315 1
1 761 . 20 1 1 A 59 59 GLY N N 59 107.196 109.559 -2.363 1
1 762 . 20 1 1 A 59 59 GLY H H 59 8.644 8.918 -0.274 1
1 763 . 20 1 1 A 59 59 GLY CA C 59 45.583 44.162 1.421 1
1 764 . 20 1 1 A 59 59 GLY HA2 H 59 3.947 4.196 -0.249 1
1 765 . 20 1 1 A 59 59 GLY HA3 H 59 3.947 4.333 -0.386 1
1 766 . 20 1 1 A 59 59 GLY C C 59 170.223 171.806 -1.583 1
1 767 . 20 1 1 A 60 60 PHE N N 60 119.079 121.560 -2.481 1
1 768 . 20 1 1 A 60 60 PHE H H 60 9.178 8.320 0.858 1
1 769 . 20 1 1 A 60 60 PHE CA C 60 58.544 58.111 0.433 1
1 770 . 20 1 1 A 60 60 PHE HA H 60 5.668 5.206 0.462 1
1 771 . 20 1 1 A 60 60 PHE CB C 60 42.484 41.041 1.443 1
1 784 . 20 1 1 A 60 60 PHE C C 60 175.423 175.731 -0.308 1
1 785 . 20 1 1 A 61 61 VAL N N 61 111.060 116.939 -5.879 1
1 786 . 20 1 1 A 61 61 VAL H H 61 9.089 9.241 -0.152 1
1 787 . 20 1 1 A 61 61 VAL CA C 61 58.189 58.460 -0.271 1
1 788 . 20 1 1 A 61 61 VAL HA H 61 4.833 4.615 0.218 1
1 789 . 20 1 1 A 61 61 VAL CB C 61 33.744 34.947 -1.203 1
1 800 . 20 1 1 A 62 62 PRO CA C 62 61.852 62.104 -0.252 1
1 801 . 20 1 1 A 62 62 PRO HA H 62 3.572 4.329 -0.757 1
1 802 . 20 1 1 A 62 62 PRO CB C 62 29.704 30.877 -1.173 1
1 810 . 20 1 1 A 62 62 PRO C C 62 177.719 177.500 0.219 1
1 811 . 20 1 1 A 63 63 ALA N N 63 129.142 128.379 0.763 1
1 812 . 20 1 1 A 63 63 ALA H H 63 7.477 8.404 -0.927 1
1 813 . 20 1 1 A 63 63 ALA CA C 63 54.472 54.436 0.036 1
1 814 . 20 1 1 A 63 63 ALA HA H 63 2.655 3.762 -1.107 1
1 818 . 20 1 1 A 63 63 ALA CB C 63 15.740 16.923 -1.183 1
1 819 . 20 1 1 A 63 63 ALA C C 63 178.434 179.465 -1.031 1
1 820 . 20 1 1 A 64 64 ALA N N 64 113.410 119.232 -5.822 1
1 821 . 20 1 1 A 64 64 ALA H H 64 7.857 8.039 -0.182 1
1 822 . 20 1 1 A 64 64 ALA CA C 64 52.991 54.172 -1.181 1
1 823 . 20 1 1 A 64 64 ALA HA H 64 4.006 3.996 0.010 1
1 827 . 20 1 1 A 64 64 ALA CB C 64 17.605 18.219 -0.614 1
1 828 . 20 1 1 A 64 64 ALA C C 64 178.109 178.193 -0.084 1
1 829 . 20 1 1 A 65 65 TYR N N 65 116.059 116.759 -0.700 1
1 830 . 20 1 1 A 65 65 TYR H H 65 7.705 7.979 -0.274 1
1 831 . 20 1 1 A 65 65 TYR CA C 65 56.477 58.092 -1.615 1
1 832 . 20 1 1 A 65 65 TYR HA H 65 4.758 4.639 0.119 1
1 833 . 20 1 1 A 65 65 TYR CB C 65 37.765 39.179 -1.414 1
1 844 . 20 1 1 A 65 65 TYR C C 65 174.361 175.593 -1.232 1
1 845 . 20 1 1 A 66 66 VAL N N 66 111.003 115.264 -4.261 1
1 846 . 20 1 1 A 66 66 VAL H H 66 7.422 7.616 -0.194 1
1 847 . 20 1 1 A 66 66 VAL CA C 66 58.268 59.075 -0.807 1
1 848 . 20 1 1 A 66 66 VAL HA H 66 5.547 5.063 0.484 1
1 849 . 20 1 1 A 66 66 VAL CB C 66 35.809 36.530 -0.721 1
1 859 . 20 1 1 A 66 66 VAL C C 66 173.538 174.545 -1.007 1
1 860 . 20 1 1 A 67 67 LYS N N 67 118.514 120.504 -1.990 1
1 861 . 20 1 1 A 67 67 LYS H H 67 8.636 8.665 -0.029 1
1 862 . 20 1 1 A 67 67 LYS CA C 67 53.828 54.328 -0.500 1
1 863 . 20 1 1 A 67 67 LYS HA H 67 4.840 5.002 -0.162 1
1 864 . 20 1 1 A 67 67 LYS CB C 67 36.636 36.956 -0.320 1
1 876 . 20 1 1 A 67 67 LYS C C 67 176.029 174.471 1.558 1
1 877 . 20 1 1 A 68 68 LYS N N 68 125.817 122.092 3.725 1
1 878 . 20 1 1 A 68 68 LYS H H 68 9.246 8.730 0.516 1
1 879 . 20 1 1 A 68 68 LYS CA C 68 58.514 55.193 3.321 1
1 880 . 20 1 1 A 68 68 LYS HA H 68 4.494 4.672 -0.178 1
1 881 . 20 1 1 A 68 68 LYS CB C 68 32.893 34.407 -1.514 1
1 891 . 20 1 1 A 68 68 LYS C C 68 176.679 177.045 -0.366 1
1 892 . 20 1 1 A 69 69 LEU N N 69 125.294 128.892 -3.598 1
1 893 . 20 1 1 A 69 69 LEU H H 69 8.506 9.002 -0.496 1
1 894 . 20 1 1 A 69 69 LEU CA C 69 54.873 58.749 -3.876 1
1 895 . 20 1 1 A 69 69 LEU HA H 69 4.429 4.051 0.378 1
1 896 . 20 1 1 A 69 69 LEU CB C 69 42.631 41.420 1.211 1
1 909 . 20 1 1 A 69 69 LEU C C 69 176.203 177.805 -1.602 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 1.140 1
2 1 1 1 "RMS(OBS, PRED)" CA 68 1.117 1
3 1 1 1 "RMS(OBS, PRED)" CB 64 1.203 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.455 1
5 1 1 1 "RMS(OBS, PRED)" HA 72 0.362 1
6 1 1 1 "RMS(OBS, PRED)" N 66 3.230 1
7 1 2 1 "RMS(OBS, PRED)" C 66 1.195 1
8 1 2 1 "RMS(OBS, PRED)" CA 68 1.074 1
9 1 2 1 "RMS(OBS, PRED)" CB 64 1.263 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.464 1
11 1 2 1 "RMS(OBS, PRED)" HA 72 0.359 1
12 1 2 1 "RMS(OBS, PRED)" N 66 3.293 1
13 1 3 1 "RMS(OBS, PRED)" C 66 1.190 1
14 1 3 1 "RMS(OBS, PRED)" CA 68 1.091 1
15 1 3 1 "RMS(OBS, PRED)" CB 64 1.268 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.478 1
17 1 3 1 "RMS(OBS, PRED)" HA 72 0.393 1
18 1 3 1 "RMS(OBS, PRED)" N 66 3.234 1
19 1 4 1 "RMS(OBS, PRED)" C 66 1.199 1
20 1 4 1 "RMS(OBS, PRED)" CA 68 1.060 1
21 1 4 1 "RMS(OBS, PRED)" CB 64 1.231 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.458 1
23 1 4 1 "RMS(OBS, PRED)" HA 72 0.378 1
24 1 4 1 "RMS(OBS, PRED)" N 66 3.298 1
25 1 5 1 "RMS(OBS, PRED)" C 66 1.200 1
26 1 5 1 "RMS(OBS, PRED)" CA 68 1.048 1
27 1 5 1 "RMS(OBS, PRED)" CB 64 1.182 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.468 1
29 1 5 1 "RMS(OBS, PRED)" HA 72 0.347 1
30 1 5 1 "RMS(OBS, PRED)" N 66 3.358 1
31 1 6 1 "RMS(OBS, PRED)" C 66 1.206 1
32 1 6 1 "RMS(OBS, PRED)" CA 68 1.185 1
33 1 6 1 "RMS(OBS, PRED)" CB 64 1.253 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.460 1
35 1 6 1 "RMS(OBS, PRED)" HA 72 0.387 1
36 1 6 1 "RMS(OBS, PRED)" N 66 3.291 1
37 1 7 1 "RMS(OBS, PRED)" C 66 1.176 1
38 1 7 1 "RMS(OBS, PRED)" CA 68 1.001 1
39 1 7 1 "RMS(OBS, PRED)" CB 64 1.299 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.465 1
41 1 7 1 "RMS(OBS, PRED)" HA 72 0.383 1
42 1 7 1 "RMS(OBS, PRED)" N 66 3.230 1
43 1 8 1 "RMS(OBS, PRED)" C 66 1.167 1
44 1 8 1 "RMS(OBS, PRED)" CA 68 1.185 1
45 1 8 1 "RMS(OBS, PRED)" CB 64 1.307 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.456 1
47 1 8 1 "RMS(OBS, PRED)" HA 72 0.372 1
48 1 8 1 "RMS(OBS, PRED)" N 66 3.316 1
49 1 9 1 "RMS(OBS, PRED)" C 66 1.208 1
50 1 9 1 "RMS(OBS, PRED)" CA 68 1.117 1
51 1 9 1 "RMS(OBS, PRED)" CB 64 1.257 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.475 1
53 1 9 1 "RMS(OBS, PRED)" HA 72 0.365 1
54 1 9 1 "RMS(OBS, PRED)" N 66 3.276 1
55 1 10 1 "RMS(OBS, PRED)" C 66 1.247 1
56 1 10 1 "RMS(OBS, PRED)" CA 68 1.019 1
57 1 10 1 "RMS(OBS, PRED)" CB 64 1.278 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.472 1
59 1 10 1 "RMS(OBS, PRED)" HA 72 0.360 1
60 1 10 1 "RMS(OBS, PRED)" N 66 3.255 1
61 1 11 1 "RMS(OBS, PRED)" C 66 1.197 1
62 1 11 1 "RMS(OBS, PRED)" CA 68 1.147 1
63 1 11 1 "RMS(OBS, PRED)" CB 64 1.199 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.477 1
65 1 11 1 "RMS(OBS, PRED)" HA 72 0.392 1
66 1 11 1 "RMS(OBS, PRED)" N 66 3.144 1
67 1 12 1 "RMS(OBS, PRED)" C 66 1.184 1
68 1 12 1 "RMS(OBS, PRED)" CA 68 1.063 1
69 1 12 1 "RMS(OBS, PRED)" CB 64 1.289 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.468 1
71 1 12 1 "RMS(OBS, PRED)" HA 72 0.392 1
72 1 12 1 "RMS(OBS, PRED)" N 66 3.135 1
73 1 13 1 "RMS(OBS, PRED)" C 66 1.207 1
74 1 13 1 "RMS(OBS, PRED)" CA 68 1.211 1
75 1 13 1 "RMS(OBS, PRED)" CB 64 1.342 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.476 1
77 1 13 1 "RMS(OBS, PRED)" HA 72 0.376 1
78 1 13 1 "RMS(OBS, PRED)" N 66 3.384 1
79 1 14 1 "RMS(OBS, PRED)" C 66 1.165 1
80 1 14 1 "RMS(OBS, PRED)" CA 68 1.038 1
81 1 14 1 "RMS(OBS, PRED)" CB 64 1.188 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.459 1
83 1 14 1 "RMS(OBS, PRED)" HA 72 0.373 1
84 1 14 1 "RMS(OBS, PRED)" N 66 3.121 1
85 1 15 1 "RMS(OBS, PRED)" C 66 1.234 1
86 1 15 1 "RMS(OBS, PRED)" CA 68 1.181 1
87 1 15 1 "RMS(OBS, PRED)" CB 64 1.300 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.495 1
89 1 15 1 "RMS(OBS, PRED)" HA 72 0.390 1
90 1 15 1 "RMS(OBS, PRED)" N 66 3.342 1
91 1 16 1 "RMS(OBS, PRED)" C 66 1.174 1
92 1 16 1 "RMS(OBS, PRED)" CA 68 1.139 1
93 1 16 1 "RMS(OBS, PRED)" CB 64 1.289 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.480 1
95 1 16 1 "RMS(OBS, PRED)" HA 72 0.400 1
96 1 16 1 "RMS(OBS, PRED)" N 66 3.176 1
97 1 17 1 "RMS(OBS, PRED)" C 66 1.246 1
98 1 17 1 "RMS(OBS, PRED)" CA 68 1.049 1
99 1 17 1 "RMS(OBS, PRED)" CB 64 1.333 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.470 1
101 1 17 1 "RMS(OBS, PRED)" HA 72 0.367 1
102 1 17 1 "RMS(OBS, PRED)" N 66 3.340 1
103 1 18 1 "RMS(OBS, PRED)" C 66 1.250 1
104 1 18 1 "RMS(OBS, PRED)" CA 68 1.015 1
105 1 18 1 "RMS(OBS, PRED)" CB 64 1.209 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.475 1
107 1 18 1 "RMS(OBS, PRED)" HA 72 0.364 1
108 1 18 1 "RMS(OBS, PRED)" N 66 3.261 1
109 1 19 1 "RMS(OBS, PRED)" C 66 1.129 1
110 1 19 1 "RMS(OBS, PRED)" CA 68 1.102 1
111 1 19 1 "RMS(OBS, PRED)" CB 64 1.345 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.442 1
113 1 19 1 "RMS(OBS, PRED)" HA 72 0.378 1
114 1 19 1 "RMS(OBS, PRED)" N 66 3.245 1
115 1 20 1 "RMS(OBS, PRED)" C 66 1.090 1
116 1 20 1 "RMS(OBS, PRED)" CA 68 1.167 1
117 1 20 1 "RMS(OBS, PRED)" CB 64 1.316 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.480 1
119 1 20 1 "RMS(OBS, PRED)" HA 72 0.386 1
120 1 20 1 "RMS(OBS, PRED)" N 66 3.184 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 2 123.392 119.986 3.406 2
1 11 . 1 1 A 2 2 ASP H H 2 8.830 8.262 0.568 2
1 12 . 1 1 A 2 2 ASP CA C 2 54.029 53.118 0.911 2
1 13 . 1 1 A 2 2 ASP HA H 2 4.699 4.884 -0.185 2
1 14 . 1 1 A 2 2 ASP CB C 2 40.198 40.655 -0.457 2
1 17 . 1 1 A 2 2 ASP C C 2 175.639 176.175 -0.536 2
1 18 . 1 1 A 3 3 GLU N N 3 121.824 120.517 1.307 2
1 19 . 1 1 A 3 3 GLU H H 3 8.663 8.092 0.571 2
1 20 . 1 1 A 3 3 GLU CA C 3 56.162 56.725 -0.563 2
1 21 . 1 1 A 3 3 GLU HA H 3 4.406 4.422 -0.016 2
1 22 . 1 1 A 3 3 GLU CB C 3 28.702 30.014 -1.312 2
1 28 . 1 1 A 3 3 GLU C C 3 176.354 176.944 -0.589 2
1 29 . 1 1 A 4 4 THR N N 4 114.607 112.611 1.996 2
1 30 . 1 1 A 4 4 THR H H 4 8.285 7.901 0.384 2
1 31 . 1 1 A 4 4 THR CA C 4 62.425 62.586 -0.161 2
1 32 . 1 1 A 4 4 THR HA H 4 4.267 4.393 -0.126 2
1 33 . 1 1 A 4 4 THR CB C 4 69.672 69.619 0.053 2
1 39 . 1 1 A 4 4 THR C C 4 175.271 175.234 0.037 2
1 40 . 1 1 A 5 5 GLY N N 5 111.345 109.980 1.365 2
1 41 . 1 1 A 5 5 GLY H H 5 8.436 8.034 0.402 2
1 42 . 1 1 A 5 5 GLY CA C 5 45.297 46.062 -0.765 2
1 43 . 1 1 A 5 5 GLY HA2 H 5 3.942 3.970 -0.028 2
1 44 . 1 1 A 5 5 GLY HA3 H 5 3.942 3.971 -0.029 2
1 45 . 1 1 A 5 5 GLY C C 5 173.668 174.673 -1.005 2
1 46 . 1 1 A 6 6 LYS N N 6 119.783 118.305 1.478 2
1 47 . 1 1 A 6 6 LYS H H 6 8.017 7.925 0.092 2
1 48 . 1 1 A 6 6 LYS CA C 6 55.538 57.762 -2.224 2
1 49 . 1 1 A 6 6 LYS HA H 6 4.387 4.335 0.052 2
1 50 . 1 1 A 6 6 LYS CB C 6 33.257 33.909 -0.652 2
1 62 . 1 1 A 6 6 LYS C C 6 176.029 176.541 -0.512 2
1 63 . 1 1 A 7 7 GLU N N 7 122.414 116.228 6.186 2
1 64 . 1 1 A 7 7 GLU H H 7 8.584 7.870 0.715 2
1 65 . 1 1 A 7 7 GLU CA C 7 55.404 55.434 -0.030 2
1 66 . 1 1 A 7 7 GLU HA H 7 4.495 4.672 -0.177 2
1 67 . 1 1 A 7 7 GLU CB C 7 30.382 30.800 -0.418 2
1 73 . 1 1 A 7 7 GLU C C 7 174.014 174.937 -0.923 2
1 74 . 1 1 A 8 8 LEU N N 8 122.989 126.422 -3.433 2
1 75 . 1 1 A 8 8 LEU H H 8 8.414 8.776 -0.362 2
1 76 . 1 1 A 8 8 LEU CA C 8 53.188 53.814 -0.626 2
1 77 . 1 1 A 8 8 LEU HA H 8 5.381 5.099 0.282 2
1 78 . 1 1 A 8 8 LEU CB C 8 45.173 43.952 1.221 2
1 90 . 1 1 A 8 8 LEU C C 8 177.329 176.093 1.236 2
1 91 . 1 1 A 9 9 VAL N N 9 111.709 118.902 -7.193 2
1 92 . 1 1 A 9 9 VAL H H 9 9.125 9.201 -0.076 2
1 93 . 1 1 A 9 9 VAL CA C 9 57.854 59.438 -1.584 2
1 94 . 1 1 A 9 9 VAL HA H 9 5.232 5.009 0.223 2
1 95 . 1 1 A 9 9 VAL CB C 9 35.864 35.383 0.481 2
1 105 . 1 1 A 9 9 VAL C C 9 172.368 173.905 -1.537 2
1 106 . 1 1 A 10 10 LEU N N 10 123.520 127.019 -3.499 2
1 107 . 1 1 A 10 10 LEU H H 10 8.989 9.062 -0.073 2
1 108 . 1 1 A 10 10 LEU CA C 10 52.445 53.382 -0.937 2
1 109 . 1 1 A 10 10 LEU HA H 10 5.113 5.345 -0.232 2
1 110 . 1 1 A 10 10 LEU CB C 10 46.776 44.944 1.832 2
1 123 . 1 1 A 10 10 LEU C C 10 176.549 175.525 1.024 2
1 124 . 1 1 A 11 11 ALA N N 11 127.272 128.182 -0.910 2
1 125 . 1 1 A 11 11 ALA H H 11 9.163 8.931 0.232 2
1 126 . 1 1 A 11 11 ALA CA C 11 52.416 51.815 0.601 2
1 127 . 1 1 A 11 11 ALA HA H 11 4.602 4.543 0.059 2
1 131 . 1 1 A 11 11 ALA CB C 11 19.274 19.356 -0.082 2
1 132 . 1 1 A 11 11 ALA C C 11 178.282 177.011 1.271 2
1 133 . 1 1 A 12 12 LEU N N 12 127.769 124.878 2.891 2
1 134 . 1 1 A 12 12 LEU H H 12 9.257 9.236 0.021 2
1 135 . 1 1 A 12 12 LEU CA C 12 55.442 55.834 -0.392 2
1 136 . 1 1 A 12 12 LEU HA H 12 3.898 4.316 -0.418 2
1 137 . 1 1 A 12 12 LEU CB C 12 43.110 42.684 0.426 2
1 150 . 1 1 A 12 12 LEU C C 12 174.946 176.442 -1.496 2
1 151 . 1 1 A 13 13 TYR N N 13 111.673 115.893 -4.220 2
1 152 . 1 1 A 13 13 TYR H H 13 7.129 8.063 -0.934 2
1 153 . 1 1 A 13 13 TYR CA C 13 54.720 56.680 -1.960 2
1 154 . 1 1 A 13 13 TYR HA H 13 4.633 5.030 -0.397 2
1 155 . 1 1 A 13 13 TYR CB C 13 43.043 41.852 1.191 2
1 166 . 1 1 A 13 13 TYR C C 13 173.668 174.998 -1.330 2
1 167 . 1 1 A 14 14 ASP N N 14 117.814 120.800 -2.986 2
1 168 . 1 1 A 14 14 ASP H H 14 8.347 8.870 -0.523 2
1 169 . 1 1 A 14 14 ASP CA C 14 54.571 53.322 1.249 2
1 170 . 1 1 A 14 14 ASP HA H 14 4.633 5.371 -0.738 2
1 171 . 1 1 A 14 14 ASP CB C 14 41.136 42.389 -1.253 2
1 174 . 1 1 A 14 14 ASP C C 14 176.051 174.940 1.111 2
1 175 . 1 1 A 15 15 TYR N N 15 120.213 123.673 -3.460 2
1 176 . 1 1 A 15 15 TYR H H 15 8.748 9.175 -0.427 2
1 177 . 1 1 A 15 15 TYR CA C 15 59.454 57.153 2.301 2
1 178 . 1 1 A 15 15 TYR HA H 15 4.654 5.327 -0.673 2
1 179 . 1 1 A 15 15 TYR CB C 15 43.400 42.415 0.985 2
1 190 . 1 1 A 15 15 TYR C C 15 172.758 173.917 -1.158 2
1 191 . 1 1 A 16 16 GLN N N 16 126.986 122.835 4.151 2
1 192 . 1 1 A 16 16 GLN H H 16 7.558 7.911 -0.353 2
1 193 . 1 1 A 16 16 GLN CA C 16 53.534 53.631 -0.097 2
1 194 . 1 1 A 16 16 GLN HA H 16 4.500 4.947 -0.447 2
1 195 . 1 1 A 16 16 GLN CB C 16 29.071 32.239 -3.168 2
1 204 . 1 1 A 16 16 GLN C C 16 173.863 174.113 -0.250 2
1 205 . 1 1 A 17 17 GLU N N 17 123.063 120.772 2.291 2
1 206 . 1 1 A 17 17 GLU H H 17 7.979 8.333 -0.354 2
1 207 . 1 1 A 17 17 GLU CA C 17 55.935 55.804 0.131 2
1 208 . 1 1 A 17 17 GLU HA H 17 4.182 4.658 -0.476 2
1 209 . 1 1 A 17 17 GLU CB C 17 28.948 30.693 -1.745 2
1 215 . 1 1 A 17 17 GLU C C 17 175.899 176.385 -0.486 2
1 216 . 1 1 A 18 18 LYS N N 18 120.853 121.605 -0.752 2
1 217 . 1 1 A 18 18 LYS H H 18 8.771 8.868 -0.097 2
1 218 . 1 1 A 18 18 LYS CA C 18 55.393 56.908 -1.515 2
1 219 . 1 1 A 18 18 LYS HA H 18 4.390 4.503 -0.113 2
1 220 . 1 1 A 18 18 LYS CB C 18 33.393 34.264 -0.872 2
1 232 . 1 1 A 18 18 LYS C C 18 176.138 176.130 0.008 2
1 233 . 1 1 A 19 19 SER N N 19 115.089 114.341 0.748 2
1 234 . 1 1 A 19 19 SER H H 19 7.658 8.009 -0.351 2
1 235 . 1 1 A 19 19 SER CA C 19 56.821 56.092 0.729 2
1 236 . 1 1 A 19 19 SER HA H 19 4.863 4.777 0.086 2
1 237 . 1 1 A 19 19 SER CB C 19 64.208 64.588 -0.380 2
1 241 . 1 1 A 20 20 PRO CA C 20 64.803 64.345 0.458 2
1 242 . 1 1 A 20 20 PRO HA H 20 4.521 4.516 0.005 2
1 243 . 1 1 A 20 20 PRO CB C 20 31.657 31.729 -0.072 2
1 251 . 1 1 A 20 20 PRO C C 20 176.657 177.439 -0.782 2
1 252 . 1 1 A 21 21 ARG N N 21 113.827 116.832 -3.005 2
1 253 . 1 1 A 21 21 ARG H H 21 7.694 8.314 -0.620 2
1 254 . 1 1 A 21 21 ARG CA C 21 56.119 57.450 -1.331 2
1 255 . 1 1 A 21 21 ARG HA H 21 4.593 4.344 0.249 2
1 256 . 1 1 A 21 21 ARG CB C 21 30.299 30.865 -0.566 2
1 265 . 1 1 A 21 21 ARG C C 21 173.386 176.717 -3.331 2
1 266 . 1 1 A 22 22 GLU N N 22 121.389 118.813 2.576 2
1 267 . 1 1 A 22 22 GLU H H 22 7.850 7.895 -0.045 2
1 268 . 1 1 A 22 22 GLU CA C 22 54.951 55.691 -0.740 2
1 269 . 1 1 A 22 22 GLU HA H 22 5.487 4.758 0.729 2
1 270 . 1 1 A 22 22 GLU CB C 22 33.588 31.400 2.188 2
1 276 . 1 1 A 22 22 GLU C C 22 174.491 175.861 -1.370 2
1 277 . 1 1 A 23 23 VAL N N 23 113.069 118.573 -5.504 2
1 278 . 1 1 A 23 23 VAL H H 23 7.410 8.848 -1.438 2
1 279 . 1 1 A 23 23 VAL CA C 23 59.793 59.655 0.138 2
1 280 . 1 1 A 23 23 VAL HA H 23 4.531 4.979 -0.448 2
1 281 . 1 1 A 23 23 VAL CB C 23 34.667 35.145 -0.478 2
1 291 . 1 1 A 23 23 VAL C C 23 172.541 174.537 -1.996 2
1 292 . 1 1 A 24 24 THR N N 24 118.283 119.363 -1.080 2
1 293 . 1 1 A 24 24 THR H H 24 7.362 8.677 -1.315 2
1 294 . 1 1 A 24 24 THR CA C 24 61.708 62.508 -0.800 2
1 295 . 1 1 A 24 24 THR HA H 24 5.085 4.825 0.260 2
1 296 . 1 1 A 24 24 THR CB C 24 70.934 69.709 1.225 2
1 302 . 1 1 A 24 24 THR C C 24 174.274 174.412 -0.138 2
1 303 . 1 1 A 25 25 MET N N 25 121.971 123.962 -1.991 2
1 304 . 1 1 A 25 25 MET H H 25 9.523 9.269 0.254 2
1 305 . 1 1 A 25 25 MET CA C 25 54.328 53.339 0.989 2
1 306 . 1 1 A 25 25 MET HA H 25 4.929 5.538 -0.609 2
1 307 . 1 1 A 25 25 MET CB C 25 36.287 36.022 0.265 2
1 317 . 1 1 A 25 25 MET C C 25 173.841 174.599 -0.758 2
1 318 . 1 1 A 26 26 LYS N N 26 124.399 120.014 4.385 2
1 319 . 1 1 A 26 26 LYS H H 26 8.820 8.869 -0.049 2
1 320 . 1 1 A 26 26 LYS CA C 26 53.699 54.373 -0.674 2
1 321 . 1 1 A 26 26 LYS HA H 26 4.879 5.007 -0.128 2
1 322 . 1 1 A 26 26 LYS CB C 26 34.097 36.213 -2.116 2
1 332 . 1 1 A 26 26 LYS C C 26 174.968 176.026 -1.058 2
1 333 . 1 1 A 27 27 LYS N N 27 122.619 121.808 0.811 2
1 334 . 1 1 A 27 27 LYS H H 27 9.013 8.621 0.392 2
1 335 . 1 1 A 27 27 LYS CA C 27 58.078 57.799 0.279 2
1 336 . 1 1 A 27 27 LYS HA H 27 4.837 4.187 0.650 2
1 337 . 1 1 A 27 27 LYS CB C 27 32.269 32.044 0.225 2
1 349 . 1 1 A 27 27 LYS C C 27 177.307 177.143 0.164 2
1 350 . 1 1 A 28 28 GLY N N 28 115.785 112.985 2.800 2
1 351 . 1 1 A 28 28 GLY H H 28 8.902 9.091 -0.189 2
1 352 . 1 1 A 28 28 GLY CA C 28 44.564 45.045 -0.481 2
1 353 . 1 1 A 28 28 GLY HA2 H 28 3.538 4.012 -0.474 2
1 354 . 1 1 A 28 28 GLY HA3 H 28 4.481 4.015 0.466 2
1 355 . 1 1 A 28 28 GLY C C 28 174.014 174.200 -0.186 2
1 356 . 1 1 A 29 29 ASP N N 29 122.243 121.514 0.729 2
1 357 . 1 1 A 29 29 ASP H H 29 8.511 8.379 0.132 2
1 358 . 1 1 A 29 29 ASP CA C 29 55.353 54.316 1.037 2
1 359 . 1 1 A 29 29 ASP HA H 29 4.523 4.709 -0.186 2
1 360 . 1 1 A 29 29 ASP CB C 29 41.146 42.290 -1.144 2
1 363 . 1 1 A 29 29 ASP C C 29 174.274 175.423 -1.149 2
1 364 . 1 1 A 30 30 ILE N N 30 120.587 123.435 -2.848 2
1 365 . 1 1 A 30 30 ILE H H 30 8.227 8.501 -0.274 2
1 366 . 1 1 A 30 30 ILE CA C 30 60.366 60.265 0.101 2
1 367 . 1 1 A 30 30 ILE HA H 30 5.036 5.176 -0.140 2
1 368 . 1 1 A 30 30 ILE CB C 30 38.210 41.044 -2.834 2
1 381 . 1 1 A 30 30 ILE C C 30 176.246 174.790 1.456 2
1 382 . 1 1 A 31 31 LEU N N 31 128.265 127.105 1.160 2
1 383 . 1 1 A 31 31 LEU H H 31 9.353 9.014 0.339 2
1 384 . 1 1 A 31 31 LEU CA C 31 53.414 53.350 0.064 2
1 385 . 1 1 A 31 31 LEU HA H 31 5.010 5.031 -0.021 2
1 386 . 1 1 A 31 31 LEU CB C 31 43.893 45.598 -1.705 2
1 397 . 1 1 A 31 31 LEU C C 31 175.596 175.531 0.065 2
1 398 . 1 1 A 32 32 THR N N 32 117.027 117.889 -0.862 2
1 399 . 1 1 A 32 32 THR H H 32 8.146 8.602 -0.456 2
1 400 . 1 1 A 32 32 THR CA C 32 63.046 62.175 0.871 2
1 401 . 1 1 A 32 32 THR HA H 32 4.629 4.810 -0.181 2
1 402 . 1 1 A 32 32 THR CB C 32 69.576 69.251 0.325 2
1 408 . 1 1 A 32 32 THR C C 32 173.559 174.706 -1.147 2
1 409 . 1 1 A 33 33 LEU N N 33 129.212 128.910 0.302 2
1 410 . 1 1 A 33 33 LEU H H 33 9.070 8.467 0.603 2
1 411 . 1 1 A 33 33 LEU CA C 33 54.894 56.011 -1.117 2
1 412 . 1 1 A 33 33 LEU HA H 33 4.351 4.342 0.009 2
1 413 . 1 1 A 33 33 LEU CB C 33 43.191 42.130 1.061 2
1 426 . 1 1 A 33 33 LEU C C 33 174.513 176.479 -1.966 2
1 427 . 1 1 A 34 34 LEU N N 34 125.818 129.807 -3.989 2
1 428 . 1 1 A 34 34 LEU H H 34 9.060 9.029 0.031 2
1 429 . 1 1 A 34 34 LEU CA C 34 54.885 55.828 -0.943 2
1 430 . 1 1 A 34 34 LEU HA H 34 4.523 4.439 0.084 2
1 431 . 1 1 A 34 34 LEU CB C 34 42.990 43.169 -0.179 2
1 443 . 1 1 A 34 34 LEU C C 34 177.502 175.936 1.566 2
1 444 . 1 1 A 35 35 ASN N N 35 114.008 117.308 -3.300 2
1 445 . 1 1 A 35 35 ASN H H 35 7.617 8.053 -0.436 2
1 446 . 1 1 A 35 35 ASN CA C 35 54.502 52.439 2.063 2
1 447 . 1 1 A 35 35 ASN HA H 35 4.736 5.002 -0.266 2
1 448 . 1 1 A 35 35 ASN CB C 35 40.933 41.004 -0.071 2
1 454 . 1 1 A 35 35 ASN C C 35 174.318 174.470 -0.151 2
1 455 . 1 1 A 36 36 SER N N 36 123.608 118.062 5.546 2
1 456 . 1 1 A 36 36 SER H H 36 9.172 8.354 0.818 2
1 457 . 1 1 A 36 36 SER CA C 36 56.915 56.894 0.022 2
1 458 . 1 1 A 36 36 SER HA H 36 3.940 4.377 -0.437 2
1 459 . 1 1 A 36 36 SER CB C 36 62.042 62.621 -0.579 2
1 462 . 1 1 A 36 36 SER C C 36 173.364 175.316 -1.952 2
1 463 . 1 1 A 37 37 THR N N 37 115.130 115.899 -0.769 2
1 464 . 1 1 A 37 37 THR H H 37 8.184 7.664 0.520 2
1 465 . 1 1 A 37 37 THR CA C 37 65.381 65.387 -0.006 2
1 466 . 1 1 A 37 37 THR HA H 37 3.980 3.997 -0.017 2
1 467 . 1 1 A 37 37 THR CB C 37 69.489 69.145 0.344 2
1 473 . 1 1 A 37 37 THR C C 37 175.249 174.676 0.573 2
1 474 . 1 1 A 38 38 ASN N N 38 122.469 118.304 4.165 2
1 475 . 1 1 A 38 38 ASN H H 38 8.681 8.163 0.518 2
1 476 . 1 1 A 38 38 ASN CA C 38 53.337 52.308 1.029 2
1 477 . 1 1 A 38 38 ASN HA H 38 4.867 5.036 -0.169 2
1 478 . 1 1 A 38 38 ASN CB C 38 40.376 40.398 -0.022 2
1 484 . 1 1 A 38 38 ASN C C 38 174.599 175.315 -0.716 2
1 485 . 1 1 A 39 39 LYS N N 39 120.915 120.500 0.415 2
1 486 . 1 1 A 39 39 LYS H H 39 8.516 8.726 -0.210 2
1 487 . 1 1 A 39 39 LYS CA C 39 58.333 56.839 1.494 2
1 488 . 1 1 A 39 39 LYS HA H 39 4.247 4.750 -0.503 2
1 489 . 1 1 A 39 39 LYS CB C 39 32.371 34.021 -1.650 2
1 499 . 1 1 A 39 39 LYS C C 39 176.268 177.441 -1.173 2
1 500 . 1 1 A 40 40 ASP N N 40 114.512 117.510 -2.999 2
1 501 . 1 1 A 40 40 ASP H H 40 8.210 7.915 0.295 2
1 502 . 1 1 A 40 40 ASP CA C 40 55.083 55.713 -0.630 2
1 503 . 1 1 A 40 40 ASP HA H 40 4.544 4.383 0.161 2
1 504 . 1 1 A 40 40 ASP CB C 40 43.014 42.048 0.965 2
1 507 . 1 1 A 40 40 ASP C C 40 176.852 175.639 1.213 2
1 508 . 1 1 A 41 41 TRP N N 41 122.703 116.393 6.310 2
1 509 . 1 1 A 41 41 TRP H H 41 8.212 8.032 0.180 2
1 510 . 1 1 A 41 41 TRP CA C 41 56.005 55.908 0.097 2
1 511 . 1 1 A 41 41 TRP HA H 41 5.078 5.231 -0.153 2
1 512 . 1 1 A 41 41 TRP CB C 41 32.019 30.531 1.488 2
1 527 . 1 1 A 41 41 TRP C C 41 174.166 175.793 -1.627 2
1 528 . 1 1 A 42 42 TRP N N 42 124.905 124.416 0.489 2
1 529 . 1 1 A 42 42 TRP H H 42 9.380 9.513 -0.133 2
1 530 . 1 1 A 42 42 TRP CA C 42 53.861 55.628 -1.767 2
1 531 . 1 1 A 42 42 TRP HA H 42 5.523 5.201 0.322 2
1 532 . 1 1 A 42 42 TRP CB C 42 31.543 31.676 -0.133 2
1 547 . 1 1 A 42 42 TRP C C 42 174.144 175.921 -1.777 2
1 548 . 1 1 A 43 43 LYS N N 43 124.120 123.431 0.689 2
1 549 . 1 1 A 43 43 LYS H H 43 8.896 9.118 -0.222 2
1 550 . 1 1 A 43 43 LYS CA C 43 55.231 55.697 -0.466 2
1 551 . 1 1 A 43 43 LYS HA H 43 4.396 4.861 -0.465 2
1 552 . 1 1 A 43 43 LYS CB C 43 34.366 33.280 1.086 2
1 564 . 1 1 A 43 43 LYS C C 43 175.423 176.036 -0.613 2
1 565 . 1 1 A 44 44 VAL N N 44 121.984 118.001 3.983 2
1 566 . 1 1 A 44 44 VAL H H 44 9.430 8.951 0.479 2
1 567 . 1 1 A 44 44 VAL CA C 44 58.751 58.837 -0.086 2
1 568 . 1 1 A 44 44 VAL HA H 44 5.375 5.133 0.242 2
1 569 . 1 1 A 44 44 VAL CB C 44 36.378 35.534 0.844 2
1 579 . 1 1 A 44 44 VAL C C 44 173.234 173.579 -0.345 2
1 580 . 1 1 A 45 45 GLU N N 45 118.425 122.272 -3.847 2
1 581 . 1 1 A 45 45 GLU H H 45 8.757 9.149 -0.392 2
1 582 . 1 1 A 45 45 GLU CA C 45 54.139 55.032 -0.893 2
1 583 . 1 1 A 45 45 GLU HA H 45 5.423 5.388 0.035 2
1 584 . 1 1 A 45 45 GLU CB C 45 32.891 32.540 0.351 2
1 590 . 1 1 A 45 45 GLU C C 45 174.621 175.666 -1.045 2
1 591 . 1 1 A 46 46 VAL N N 46 123.694 120.550 3.144 2
1 592 . 1 1 A 46 46 VAL H H 46 9.089 9.010 0.079 2
1 593 . 1 1 A 46 46 VAL CA C 46 59.627 59.223 0.404 2
1 594 . 1 1 A 46 46 VAL HA H 46 4.669 5.057 -0.388 2
1 595 . 1 1 A 46 46 VAL CB C 46 35.290 35.611 -0.321 2
1 604 . 1 1 A 46 46 VAL C C 46 173.234 173.609 -0.375 2
1 605 . 1 1 A 47 47 LYS N N 47 124.893 122.024 2.869 2
1 606 . 1 1 A 47 47 LYS H H 47 8.455 8.715 -0.260 2
1 607 . 1 1 A 47 47 LYS CA C 47 55.404 54.727 0.677 2
1 608 . 1 1 A 47 47 LYS HA H 47 5.022 5.308 -0.286 2
1 609 . 1 1 A 47 47 LYS CB C 47 33.959 35.234 -1.275 2
1 619 . 1 1 A 47 47 LYS C C 47 175.899 174.966 0.933 2
1 620 . 1 1 A 48 48 ILE N N 48 124.447 127.673 -3.226 2
1 621 . 1 1 A 48 48 ILE H H 48 8.989 9.195 -0.206 2
1 622 . 1 1 A 48 48 ILE CA C 48 59.646 60.037 -0.391 2
1 623 . 1 1 A 48 48 ILE HA H 48 4.529 4.910 -0.381 2
1 624 . 1 1 A 48 48 ILE CB C 48 41.170 40.426 0.744 2
1 637 . 1 1 A 48 48 ILE C C 48 174.144 174.957 -0.813 2
1 638 . 1 1 A 49 49 THR N N 49 121.012 123.191 -2.179 2
1 639 . 1 1 A 49 49 THR H H 49 8.570 8.892 -0.322 2
1 640 . 1 1 A 49 49 THR CA C 49 61.301 62.123 -0.822 2
1 641 . 1 1 A 49 49 THR HA H 49 5.272 5.058 0.214 2
1 642 . 1 1 A 49 49 THR CB C 49 69.853 69.530 0.323 2
1 648 . 1 1 A 49 49 THR C C 49 174.318 173.969 0.350 2
1 649 . 1 1 A 50 50 VAL N N 50 126.754 126.657 0.097 2
1 650 . 1 1 A 50 50 VAL H H 50 9.104 9.101 0.003 2
1 651 . 1 1 A 50 50 VAL CA C 50 61.070 61.359 -0.289 2
1 652 . 1 1 A 50 50 VAL HA H 50 4.292 4.519 -0.227 2
1 653 . 1 1 A 50 50 VAL CB C 50 34.452 34.273 0.179 2
1 663 . 1 1 A 50 50 VAL C C 50 175.899 176.258 -0.359 2
1 664 . 1 1 A 51 51 ASN N N 51 127.590 126.937 0.653 2
1 665 . 1 1 A 51 51 ASN H H 51 9.619 9.514 0.105 2
1 666 . 1 1 A 51 51 ASN CA C 51 54.177 54.540 -0.363 2
1 667 . 1 1 A 51 51 ASN HA H 51 4.390 4.453 -0.063 2
1 668 . 1 1 A 51 51 ASN CB C 51 37.413 37.416 -0.003 2
1 671 . 1 1 A 51 51 ASN C C 51 175.249 175.162 0.087 2
1 672 . 1 1 A 52 52 GLY N N 52 102.845 104.048 -1.203 2
1 673 . 1 1 A 52 52 GLY H H 52 8.535 8.654 -0.119 2
1 674 . 1 1 A 52 52 GLY CA C 52 45.443 45.527 -0.084 2
1 675 . 1 1 A 52 52 GLY HA2 H 52 3.555 3.876 -0.321 2
1 676 . 1 1 A 52 52 GLY HA3 H 52 4.120 3.878 0.241 2
1 677 . 1 1 A 52 52 GLY C C 52 176.398 173.738 2.660 2
1 678 . 1 1 A 53 53 LYS N N 53 121.989 120.686 1.303 2
1 679 . 1 1 A 53 53 LYS H H 53 7.849 8.068 -0.219 2
1 680 . 1 1 A 53 53 LYS CA C 53 54.807 54.729 0.078 2
1 681 . 1 1 A 53 53 LYS HA H 53 4.641 4.467 0.174 2
1 682 . 1 1 A 53 53 LYS CB C 53 34.440 34.188 0.252 2
1 694 . 1 1 A 53 53 LYS C C 53 174.513 175.781 -1.268 2
1 695 . 1 1 A 54 54 THR N N 54 118.860 117.130 1.730 2
1 696 . 1 1 A 54 54 THR H H 54 8.445 8.516 -0.071 2
1 697 . 1 1 A 54 54 THR CA C 54 62.074 61.718 0.356 2
1 698 . 1 1 A 54 54 THR HA H 54 5.167 4.594 0.573 2
1 699 . 1 1 A 54 54 THR CB C 54 70.071 69.575 0.496 2
1 705 . 1 1 A 54 54 THR C C 54 173.689 173.722 -0.033 2
1 706 . 1 1 A 55 55 TYR N N 55 125.966 123.342 2.624 2
1 707 . 1 1 A 55 55 TYR H H 55 9.319 9.568 -0.249 2
1 708 . 1 1 A 55 55 TYR CA C 55 56.507 56.249 0.258 2
1 709 . 1 1 A 55 55 TYR HA H 55 4.767 5.131 -0.364 2
1 710 . 1 1 A 55 55 TYR CB C 55 40.591 42.531 -1.940 2
1 721 . 1 1 A 55 55 TYR C C 55 173.538 175.186 -1.648 2
1 722 . 1 1 A 56 56 GLU N N 56 119.827 121.036 -1.209 2
1 723 . 1 1 A 56 56 GLU H H 56 8.568 8.871 -0.303 2
1 724 . 1 1 A 56 56 GLU CA C 56 54.503 55.218 -0.715 2
1 725 . 1 1 A 56 56 GLU HA H 56 5.247 5.432 -0.185 2
1 726 . 1 1 A 56 56 GLU CB C 56 30.297 33.131 -2.834 2
1 732 . 1 1 A 56 56 GLU C C 56 175.726 175.372 0.354 2
1 733 . 1 1 A 57 57 ARG N N 57 123.399 120.752 2.647 2
1 734 . 1 1 A 57 57 ARG H H 57 8.971 8.470 0.501 2
1 735 . 1 1 A 57 57 ARG CA C 57 54.944 54.739 0.205 2
1 736 . 1 1 A 57 57 ARG HA H 57 4.710 5.069 -0.359 2
1 737 . 1 1 A 57 57 ARG CB C 57 33.362 34.024 -0.662 2
1 746 . 1 1 A 57 57 ARG C C 57 174.166 174.337 -0.171 2
1 747 . 1 1 A 58 58 GLN N N 58 120.188 119.976 0.212 2
1 748 . 1 1 A 58 58 GLN H H 58 8.634 8.560 0.074 2
1 749 . 1 1 A 58 58 GLN CA C 58 53.251 54.734 -1.483 2
1 750 . 1 1 A 58 58 GLN HA H 58 5.602 5.254 0.348 2
1 751 . 1 1 A 58 58 GLN CB C 58 31.229 30.888 0.341 2
1 760 . 1 1 A 58 58 GLN C C 58 175.726 174.904 0.822 2
1 761 . 1 1 A 59 59 GLY N N 59 107.196 108.908 -1.712 2
1 762 . 1 1 A 59 59 GLY H H 59 8.644 8.944 -0.300 2
1 763 . 1 1 A 59 59 GLY CA C 59 45.583 44.370 1.213 2
1 764 . 1 1 A 59 59 GLY HA2 H 59 3.947 4.231 -0.284 2
1 765 . 1 1 A 59 59 GLY HA3 H 59 3.947 4.375 -0.428 2
1 766 . 1 1 A 59 59 GLY C C 59 170.223 171.831 -1.608 2
1 767 . 1 1 A 60 60 PHE N N 60 119.079 120.021 -0.942 2
1 768 . 1 1 A 60 60 PHE H H 60 9.178 8.676 0.502 2
1 769 . 1 1 A 60 60 PHE CA C 60 58.544 57.998 0.546 2
1 770 . 1 1 A 60 60 PHE HA H 60 5.668 5.199 0.469 2
1 771 . 1 1 A 60 60 PHE CB C 60 42.484 40.873 1.611 2
1 784 . 1 1 A 60 60 PHE C C 60 175.423 175.821 -0.397 2
1 785 . 1 1 A 61 61 VAL N N 61 111.060 116.962 -5.902 2
1 786 . 1 1 A 61 61 VAL H H 61 9.089 9.018 0.071 2
1 787 . 1 1 A 61 61 VAL CA C 61 58.189 58.427 -0.238 2
1 788 . 1 1 A 61 61 VAL HA H 61 4.833 4.881 -0.048 2
1 789 . 1 1 A 61 61 VAL CB C 61 33.744 34.934 -1.190 2
1 800 . 1 1 A 62 62 PRO CA C 62 61.852 62.140 -0.288 2
1 801 . 1 1 A 62 62 PRO HA H 62 3.572 4.325 -0.753 2
1 802 . 1 1 A 62 62 PRO CB C 62 29.704 30.892 -1.188 2
1 810 . 1 1 A 62 62 PRO C C 62 177.719 177.454 0.265 2
1 811 . 1 1 A 63 63 ALA N N 63 129.142 128.374 0.768 2
1 812 . 1 1 A 63 63 ALA H H 63 7.477 8.402 -0.925 2
1 813 . 1 1 A 63 63 ALA CA C 63 54.472 54.476 -0.004 2
1 814 . 1 1 A 63 63 ALA HA H 63 2.655 3.686 -1.031 2
1 818 . 1 1 A 63 63 ALA CB C 63 15.740 16.916 -1.176 2
1 819 . 1 1 A 63 63 ALA C C 63 178.434 179.586 -1.152 2
1 820 . 1 1 A 64 64 ALA N N 64 113.410 119.278 -5.868 2
1 821 . 1 1 A 64 64 ALA H H 64 7.857 8.098 -0.241 2
1 822 . 1 1 A 64 64 ALA CA C 64 52.991 54.204 -1.213 2
1 823 . 1 1 A 64 64 ALA HA H 64 4.006 4.003 0.003 2
1 827 . 1 1 A 64 64 ALA CB C 64 17.605 18.237 -0.632 2
1 828 . 1 1 A 64 64 ALA C C 64 178.109 178.138 -0.029 2
1 829 . 1 1 A 65 65 TYR N N 65 116.059 116.662 -0.603 2
1 830 . 1 1 A 65 65 TYR H H 65 7.705 7.921 -0.217 2
1 831 . 1 1 A 65 65 TYR CA C 65 56.477 58.404 -1.927 2
1 832 . 1 1 A 65 65 TYR HA H 65 4.758 4.657 0.101 2
1 833 . 1 1 A 65 65 TYR CB C 65 37.765 39.114 -1.349 2
1 844 . 1 1 A 65 65 TYR C C 65 174.361 175.635 -1.274 2
1 845 . 1 1 A 66 66 VAL N N 66 111.003 115.115 -4.112 2
1 846 . 1 1 A 66 66 VAL H H 66 7.422 7.556 -0.134 2
1 847 . 1 1 A 66 66 VAL CA C 66 58.268 59.087 -0.819 2
1 848 . 1 1 A 66 66 VAL HA H 66 5.547 5.002 0.545 2
1 849 . 1 1 A 66 66 VAL CB C 66 35.809 36.440 -0.631 2
1 859 . 1 1 A 66 66 VAL C C 66 173.538 174.145 -0.607 2
1 860 . 1 1 A 67 67 LYS N N 67 118.514 119.596 -1.081 2
1 861 . 1 1 A 67 67 LYS H H 67 8.636 8.912 -0.276 2
1 862 . 1 1 A 67 67 LYS CA C 67 53.828 54.599 -0.772 2
1 863 . 1 1 A 67 67 LYS HA H 67 4.840 5.033 -0.193 2
1 864 . 1 1 A 67 67 LYS CB C 67 36.636 36.184 0.452 2
1 876 . 1 1 A 67 67 LYS C C 67 176.029 174.838 1.191 2
1 877 . 1 1 A 68 68 LYS N N 68 125.817 122.589 3.228 2
1 878 . 1 1 A 68 68 LYS H H 68 9.246 8.795 0.451 2
1 879 . 1 1 A 68 68 LYS CA C 68 58.514 56.556 1.958 2
1 880 . 1 1 A 68 68 LYS HA H 68 4.494 4.508 -0.014 2
1 881 . 1 1 A 68 68 LYS CB C 68 32.893 33.437 -0.544 2
1 891 . 1 1 A 68 68 LYS C C 68 176.679 177.138 -0.459 2
1 892 . 1 1 A 69 69 LEU N N 69 125.294 127.658 -2.364 2
1 893 . 1 1 A 69 69 LEU H H 69 8.506 8.872 -0.366 2
1 894 . 1 1 A 69 69 LEU CA C 69 54.873 57.666 -2.793 2
1 895 . 1 1 A 69 69 LEU HA H 69 4.429 4.169 0.260 2
1 896 . 1 1 A 69 69 LEU CB C 69 42.631 42.030 0.601 2
1 909 . 1 1 A 69 69 LEU C C 69 176.203 177.433 -1.230 2
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