data_16596_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16596
_Entry.PDB_ID 2KQB
_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 25
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 PRO HA H 364 4.519 4.389 0.130 1
1 8 . 1 1 1 A 2 2 PRO CA C 364 63.238 62.647 0.591 1
1 9 . 1 1 1 A 2 2 PRO CB C 364 32.338 32.687 -0.349 1
1 12 . 1 1 1 A 3 3 LEU H H 365 8.557 9.088 -0.531 1
1 13 . 1 1 1 A 3 3 LEU HA H 365 4.406 4.004 0.402 1
1 23 . 1 1 1 A 3 3 LEU CA C 365 55.436 55.879 -0.443 1
1 24 . 1 1 1 A 3 3 LEU CB C 365 42.304 41.315 0.989 1
1 28 . 1 1 1 A 3 3 LEU N N 365 122.297 122.930 -0.633 1
1 29 . 1 1 1 A 4 4 GLY H H 366 8.443 8.563 -0.120 1
1 30 . 1 1 1 A 4 4 GLY HA2 H 366 4.040 3.896 0.144 1
1 31 . 1 1 1 A 4 4 GLY HA3 H 366 4.056 3.900 0.156 1
1 32 . 1 1 1 A 4 4 GLY CA C 366 45.361 46.278 -0.917 1
1 33 . 1 1 1 A 4 4 GLY N N 366 110.040 113.730 -3.690 1
1 34 . 1 1 1 A 5 5 SER H H 367 8.374 7.945 0.429 1
1 35 . 1 1 1 A 5 5 SER HA H 367 4.521 4.894 -0.373 1
1 38 . 1 1 1 A 5 5 SER CA C 367 58.573 57.578 0.995 1
1 39 . 1 1 1 A 5 5 SER CB C 367 64.058 65.722 -1.664 1
1 40 . 1 1 1 A 5 5 SER N N 367 116.007 115.031 0.976 1
1 41 . 1 1 1 A 6 6 GLY H H 368 8.639 8.424 0.215 1
1 42 . 1 1 1 A 6 6 GLY HA2 H 368 4.095 3.848 0.247 1
1 43 . 1 1 1 A 6 6 GLY HA3 H 368 4.067 4.253 -0.186 1
1 44 . 1 1 1 A 6 6 GLY CA C 368 45.494 45.294 0.200 1
1 45 . 1 1 1 A 6 6 GLY N N 368 111.362 112.181 -0.819 1
1 46 . 1 1 1 A 7 7 SER H H 369 8.313 8.499 -0.186 1
1 47 . 1 1 1 A 7 7 SER HA H 369 4.516 4.855 -0.339 1
1 50 . 1 1 1 A 7 7 SER CA C 369 58.583 56.664 1.919 1
1 51 . 1 1 1 A 7 7 SER CB C 369 63.973 63.230 0.743 1
1 52 . 1 1 1 A 7 7 SER N N 369 115.885 115.459 0.426 1
1 53 . 1 1 1 A 8 8 GLU H H 370 8.630 7.959 0.671 1
1 54 . 1 1 1 A 8 8 GLU HA H 370 4.330 4.695 -0.365 1
1 59 . 1 1 1 A 8 8 GLU CA C 370 57.138 55.582 1.556 1
1 60 . 1 1 1 A 8 8 GLU CB C 370 29.984 30.206 -0.222 1
1 62 . 1 1 1 A 8 8 GLU N N 370 122.682 121.901 0.781 1
1 63 . 1 1 1 A 9 9 GLY H H 371 8.394 8.786 -0.392 1
1 64 . 1 1 1 A 9 9 GLY HA2 H 371 3.976 4.222 -0.246 1
1 65 . 1 1 1 A 9 9 GLY HA3 H 371 3.976 4.226 -0.250 1
1 66 . 1 1 1 A 9 9 GLY CA C 371 45.469 45.803 -0.334 1
1 67 . 1 1 1 A 9 9 GLY N N 371 109.245 110.190 -0.945 1
1 68 . 1 1 1 A 10 10 ASN H H 372 8.283 7.995 0.288 1
1 69 . 1 1 1 A 10 10 ASN HA H 372 4.732 5.020 -0.288 1
1 74 . 1 1 1 A 10 10 ASN CA C 372 53.263 54.148 -0.885 1
1 75 . 1 1 1 A 10 10 ASN CB C 372 38.961 41.477 -2.516 1
1 76 . 1 1 1 A 10 10 ASN N N 372 118.662 116.723 1.939 1
1 78 . 1 1 1 A 11 11 LYS H H 373 8.264 7.717 0.547 1
1 79 . 1 1 1 A 11 11 LYS HA H 373 4.360 4.508 -0.148 1
1 88 . 1 1 1 A 11 11 LYS CA C 373 56.413 55.296 1.117 1
1 89 . 1 1 1 A 11 11 LYS CB C 373 33.054 32.910 0.144 1
1 93 . 1 1 1 A 11 11 LYS N N 373 121.729 117.073 4.656 1
1 94 . 1 1 1 A 12 12 VAL H H 374 8.114 8.096 0.018 1
1 95 . 1 1 1 A 12 12 VAL HA H 374 4.086 4.770 -0.684 1
1 103 . 1 1 1 A 12 12 VAL CA C 374 62.169 60.145 2.024 1
1 104 . 1 1 1 A 12 12 VAL CB C 374 32.862 36.181 -3.319 1
1 107 . 1 1 1 A 12 12 VAL N N 374 121.704 121.818 -0.114 1
1 108 . 1 1 1 A 13 13 LYS H H 375 8.415 8.452 -0.037 1
1 109 . 1 1 1 A 13 13 LYS HA H 375 4.383 4.612 -0.229 1
1 118 . 1 1 1 A 13 13 LYS CA C 375 55.989 55.484 0.505 1
1 119 . 1 1 1 A 13 13 LYS CB C 375 33.159 32.210 0.949 1
1 123 . 1 1 1 A 13 13 LYS N N 375 126.419 124.525 1.894 1
1 124 . 1 1 1 A 14 14 ARG H H 376 8.753 7.849 0.904 1
1 125 . 1 1 1 A 14 14 ARG HA H 376 4.363 4.270 0.093 1
1 132 . 1 1 1 A 14 14 ARG CA C 376 56.293 56.748 -0.455 1
1 133 . 1 1 1 A 14 14 ARG CB C 376 32.331 30.846 1.485 1
1 136 . 1 1 1 A 14 14 ARG N N 376 123.397 124.667 -1.270 1
1 137 . 1 1 1 A 15 15 THR H H 377 8.081 8.258 -0.177 1
1 138 . 1 1 1 A 15 15 THR HA H 377 4.398 4.396 0.002 1
1 143 . 1 1 1 A 15 15 THR CA C 377 61.533 62.006 -0.473 1
1 144 . 1 1 1 A 15 15 THR CB C 377 70.409 69.588 0.821 1
1 146 . 1 1 1 A 15 15 THR N N 377 117.600 117.452 0.148 1
1 147 . 1 1 1 A 16 16 SER H H 378 8.614 8.436 0.178 1
1 148 . 1 1 1 A 16 16 SER HA H 378 4.853 4.439 0.414 1
1 151 . 1 1 1 A 16 16 SER CA C 378 59.098 58.429 0.669 1
1 152 . 1 1 1 A 16 16 SER CB C 378 63.763 64.125 -0.362 1
1 153 . 1 1 1 A 16 16 SER N N 378 121.120 121.726 -0.606 1
1 154 . 1 1 1 A 17 17 CYS H H 379 9.252 8.422 0.830 1
1 155 . 1 1 1 A 17 17 CYS HA H 379 3.994 4.823 -0.829 1
1 158 . 1 1 1 A 17 17 CYS CA C 379 60.962 59.236 1.726 1
1 159 . 1 1 1 A 17 17 CYS CB C 379 29.581 28.230 1.351 1
1 160 . 1 1 1 A 17 17 CYS N N 379 127.790 123.124 4.666 1
1 161 . 1 1 1 A 18 18 MET H H 380 8.831 8.763 0.068 1
1 162 . 1 1 1 A 18 18 MET HA H 380 4.212 4.175 0.037 1
1 170 . 1 1 1 A 18 18 MET CA C 380 58.209 57.885 0.324 1
1 171 . 1 1 1 A 18 18 MET CB C 380 31.936 31.555 0.381 1
1 174 . 1 1 1 A 18 18 MET N N 380 130.017 125.688 4.329 1
1 175 . 1 1 1 A 19 19 TYR H H 381 8.701 7.819 0.882 1
1 176 . 1 1 1 A 19 19 TYR HA H 381 4.579 4.665 -0.086 1
1 183 . 1 1 1 A 19 19 TYR CA C 381 58.762 58.166 0.596 1
1 184 . 1 1 1 A 19 19 TYR CB C 381 37.595 38.803 -1.208 1
1 189 . 1 1 1 A 19 19 TYR N N 381 120.369 116.617 3.752 1
1 190 . 1 1 1 A 20 20 GLY H H 382 7.760 8.193 -0.433 1
1 191 . 1 1 1 A 20 20 GLY HA2 H 382 3.710 4.008 -0.298 1
1 192 . 1 1 1 A 20 20 GLY HA3 H 382 4.085 4.086 -0.001 1
1 193 . 1 1 1 A 20 20 GLY CA C 382 47.627 47.517 0.110 1
1 194 . 1 1 1 A 20 20 GLY N N 382 107.481 108.616 -1.135 1
1 195 . 1 1 1 A 21 21 ALA H H 383 9.248 8.417 0.831 1
1 196 . 1 1 1 A 21 21 ALA HA H 383 4.354 4.392 -0.038 1
1 200 . 1 1 1 A 21 21 ALA CA C 383 53.398 52.309 1.089 1
1 201 . 1 1 1 A 21 21 ALA CB C 383 18.808 19.744 -0.936 1
1 202 . 1 1 1 A 21 21 ALA N N 383 128.449 129.274 -0.825 1
1 203 . 1 1 1 A 22 22 ASN H H 384 8.261 8.144 0.117 1
1 204 . 1 1 1 A 22 22 ASN HA H 384 4.944 5.061 -0.117 1
1 209 . 1 1 1 A 22 22 ASN CA C 384 52.140 53.050 -0.910 1
1 210 . 1 1 1 A 22 22 ASN CB C 384 38.940 39.740 -0.800 1
1 211 . 1 1 1 A 22 22 ASN N N 384 115.516 115.415 0.101 1
1 213 . 1 1 1 A 23 23 CYS H H 385 7.174 7.631 -0.457 1
1 214 . 1 1 1 A 23 23 CYS HA H 385 3.736 4.040 -0.304 1
1 217 . 1 1 1 A 23 23 CYS CA C 385 61.867 60.006 1.861 1
1 218 . 1 1 1 A 23 23 CYS CB C 385 29.434 28.411 1.023 1
1 219 . 1 1 1 A 23 23 CYS N N 385 121.580 120.428 1.152 1
1 220 . 1 1 1 A 24 24 TYR H H 386 7.680 8.023 -0.343 1
1 221 . 1 1 1 A 24 24 TYR HA H 386 4.858 4.574 0.284 1
1 228 . 1 1 1 A 24 24 TYR CA C 386 56.348 57.510 -1.162 1
1 229 . 1 1 1 A 24 24 TYR CB C 386 38.216 39.680 -1.464 1
1 234 . 1 1 1 A 24 24 TYR N N 386 126.676 123.416 3.260 1
1 235 . 1 1 1 A 25 25 ARG H H 387 7.988 6.238 1.750 1
1 236 . 1 1 1 A 25 25 ARG HA H 387 4.054 4.190 -0.136 1
1 243 . 1 1 1 A 25 25 ARG CA C 387 56.282 55.575 0.707 1
1 244 . 1 1 1 A 25 25 ARG CB C 387 29.894 30.611 -0.717 1
1 247 . 1 1 1 A 25 25 ARG N N 387 123.491 118.542 4.949 1
1 248 . 1 1 1 A 26 26 LYS H H 388 8.951 8.710 0.241 1
1 249 . 1 1 1 A 26 26 LYS HA H 388 4.635 4.775 -0.140 1
1 258 . 1 1 1 A 26 26 LYS CA C 388 55.605 54.722 0.883 1
1 259 . 1 1 1 A 26 26 LYS CB C 388 34.387 34.805 -0.418 1
1 263 . 1 1 1 A 26 26 LYS N N 388 118.569 118.262 0.307 1
1 264 . 1 1 1 A 27 27 ASN H H 389 8.400 8.796 -0.396 1
1 265 . 1 1 1 A 27 27 ASN HA H 389 4.950 5.200 -0.250 1
1 270 . 1 1 1 A 27 27 ASN CA C 389 51.827 50.044 1.783 1
1 271 . 1 1 1 A 27 27 ASN CB C 389 39.171 39.158 0.013 1
1 272 . 1 1 1 A 27 27 ASN N N 389 122.702 123.392 -0.690 1
1 274 . 1 1 1 A 28 28 PRO HA H 390 4.595 4.566 0.029 1
1 281 . 1 1 1 A 28 28 PRO CA C 390 65.632 64.712 0.920 1
1 282 . 1 1 1 A 28 28 PRO CB C 390 32.574 32.096 0.478 1
1 285 . 1 1 1 A 29 29 VAL H H 391 8.337 7.818 0.519 1
1 286 . 1 1 1 A 29 29 VAL HA H 391 3.818 4.415 -0.597 1
1 294 . 1 1 1 A 29 29 VAL CA C 391 65.608 64.118 1.490 1
1 295 . 1 1 1 A 29 29 VAL CB C 391 31.546 32.150 -0.604 1
1 298 . 1 1 1 A 29 29 VAL N N 391 117.431 116.069 1.362 1
1 299 . 1 1 1 A 30 30 HIS H H 392 8.037 8.134 -0.097 1
1 300 . 1 1 1 A 30 30 HIS HA H 392 4.565 4.164 0.401 1
1 305 . 1 1 1 A 30 30 HIS CA C 392 60.297 59.026 1.271 1
1 306 . 1 1 1 A 30 30 HIS CB C 392 27.700 29.469 -1.769 1
1 309 . 1 1 1 A 30 30 HIS N N 392 120.267 120.515 -0.248 1
1 310 . 1 1 1 A 31 31 PHE H H 393 7.059 8.233 -1.174 1
1 311 . 1 1 1 A 31 31 PHE HA H 393 4.465 4.417 0.048 1
1 319 . 1 1 1 A 31 31 PHE CA C 393 59.951 61.861 -1.910 1
1 320 . 1 1 1 A 31 31 PHE CB C 393 38.577 38.509 0.068 1
1 326 . 1 1 1 A 31 31 PHE N N 393 114.802 118.009 -3.207 1
1 327 . 1 1 1 A 32 32 GLN H H 394 7.671 7.955 -0.284 1
1 328 . 1 1 1 A 32 32 GLN HA H 394 4.261 4.316 -0.055 1
1 335 . 1 1 1 A 32 32 GLN CA C 394 57.393 58.815 -1.422 1
1 336 . 1 1 1 A 32 32 GLN CB C 394 28.710 28.739 -0.029 1
1 338 . 1 1 1 A 32 32 GLN N N 394 117.129 119.512 -2.383 1
1 340 . 1 1 1 A 33 33 HIS H H 395 7.581 7.630 -0.049 1
1 341 . 1 1 1 A 33 33 HIS HA H 395 4.498 4.277 0.221 1
1 346 . 1 1 1 A 33 33 HIS CA C 395 56.467 57.779 -1.312 1
1 347 . 1 1 1 A 33 33 HIS CB C 395 31.398 31.179 0.219 1
1 350 . 1 1 1 A 33 33 HIS N N 395 115.481 114.945 0.536 1
1 351 . 1 1 1 A 34 34 PHE H H 396 8.044 7.936 0.108 1
1 352 . 1 1 1 A 34 34 PHE HA H 396 5.398 5.236 0.162 1
1 360 . 1 1 1 A 34 34 PHE CA C 396 56.318 55.835 0.483 1
1 361 . 1 1 1 A 34 34 PHE CB C 396 41.617 41.943 -0.326 1
1 367 . 1 1 1 A 34 34 PHE N N 396 117.547 116.155 1.392 1
1 368 . 1 1 1 A 35 35 SER H H 397 8.603 9.332 -0.729 1
1 369 . 1 1 1 A 35 35 SER HA H 397 4.769 4.915 -0.146 1
1 372 . 1 1 1 A 35 35 SER CA C 397 56.350 57.859 -1.509 1
1 373 . 1 1 1 A 35 35 SER CB C 397 65.912 64.641 1.271 1
1 374 . 1 1 1 A 35 35 SER N N 397 114.732 118.210 -3.478 1
1 375 . 1 1 1 A 36 36 HIS H H 398 9.538 8.862 0.676 1
1 376 . 1 1 1 A 36 36 HIS HA H 398 4.572 5.070 -0.498 1
1 381 . 1 1 1 A 36 36 HIS CA C 398 56.432 53.795 2.637 1
1 382 . 1 1 1 A 36 36 HIS CB C 398 29.935 33.000 -3.065 1
1 385 . 1 1 1 A 36 36 HIS N N 398 120.612 119.470 1.142 1
1 386 . 1 1 1 A 37 37 PRO HA H 399 3.457 3.163 0.294 1
1 393 . 1 1 1 A 37 37 PRO CA C 399 64.278 63.066 1.212 1
1 394 . 1 1 1 A 37 37 PRO CB C 399 30.979 30.964 0.015 1
1 397 . 1 1 1 A 38 38 GLY H H 400 8.832 8.740 0.092 1
1 398 . 1 1 1 A 38 38 GLY HA2 H 400 3.593 3.782 -0.189 1
1 399 . 1 1 1 A 38 38 GLY HA3 H 400 4.522 3.796 0.726 1
1 400 . 1 1 1 A 38 38 GLY CA C 400 44.843 45.055 -0.212 1
1 401 . 1 1 1 A 38 38 GLY N N 400 115.162 112.366 2.796 1
1 402 . 1 1 1 A 39 39 ASP H H 401 8.505 7.467 1.038 1
1 403 . 1 1 1 A 39 39 ASP HA H 401 4.938 5.015 -0.077 1
1 406 . 1 1 1 A 39 39 ASP CA C 401 54.320 53.095 1.225 1
1 407 . 1 1 1 A 39 39 ASP CB C 401 41.893 42.718 -0.825 1
1 408 . 1 1 1 A 39 39 ASP N N 401 121.905 120.793 1.112 1
1 409 . 1 1 1 A 40 40 SER H H 402 9.378 9.038 0.340 1
1 410 . 1 1 1 A 40 40 SER HA H 402 4.281 4.175 0.106 1
1 413 . 1 1 1 A 40 40 SER CA C 402 61.078 61.062 0.016 1
1 414 . 1 1 1 A 40 40 SER CB C 402 62.829 62.665 0.164 1
1 415 . 1 1 1 A 40 40 SER N N 402 119.493 118.089 1.404 1
1 416 . 1 1 1 A 41 41 ASP H H 403 8.924 8.039 0.885 1
1 417 . 1 1 1 A 41 41 ASP HA H 403 4.697 4.730 -0.033 1
1 420 . 1 1 1 A 41 41 ASP CA C 403 52.287 53.995 -1.708 1
1 421 . 1 1 1 A 41 41 ASP CB C 403 39.077 41.688 -2.611 1
1 422 . 1 1 1 A 41 41 ASP N N 403 116.599 119.129 -2.530 1
1 423 . 1 1 1 A 42 42 TYR H H 404 7.427 7.518 -0.091 1
1 424 . 1 1 1 A 42 42 TYR HA H 404 4.452 4.384 0.068 1
1 431 . 1 1 1 A 42 42 TYR CA C 404 59.218 59.871 -0.653 1
1 432 . 1 1 1 A 42 42 TYR CB C 404 39.543 39.203 0.340 1
1 437 . 1 1 1 A 42 42 TYR N N 404 122.560 122.947 -0.387 1
1 438 . 1 1 1 A 43 43 GLY H H 405 7.715 8.096 -0.381 1
1 439 . 1 1 1 A 43 43 GLY HA2 H 405 3.743 3.996 -0.253 1
1 440 . 1 1 1 A 43 43 GLY HA3 H 405 3.704 4.083 -0.379 1
1 441 . 1 1 1 A 43 43 GLY CA C 405 45.100 45.399 -0.299 1
1 442 . 1 1 1 A 43 43 GLY N N 405 114.997 113.142 1.855 1
1 443 . 1 1 1 A 44 44 GLY H H 406 7.088 7.049 0.039 1
1 444 . 1 1 1 A 44 44 GLY HA2 H 406 3.887 3.538 0.349 1
1 445 . 1 1 1 A 44 44 GLY HA3 H 406 3.887 3.585 0.302 1
1 446 . 1 1 1 A 44 44 GLY CA C 406 45.011 46.880 -1.869 1
1 447 . 1 1 1 A 44 44 GLY N N 406 107.744 107.205 0.539 1
1 448 . 1 1 1 A 45 45 VAL H H 407 8.064 7.543 0.521 1
1 449 . 1 1 1 A 45 45 VAL HA H 407 4.147 3.801 0.346 1
1 457 . 1 1 1 A 45 45 VAL CA C 407 62.222 62.672 -0.450 1
1 458 . 1 1 1 A 45 45 VAL CB C 407 32.899 29.789 3.110 1
1 461 . 1 1 1 A 45 45 VAL N N 407 119.029 114.987 4.042 1
1 462 . 1 1 1 A 46 46 GLN H H 408 8.506 8.600 -0.094 1
1 463 . 1 1 1 A 46 46 GLN HA H 408 4.433 4.577 -0.144 1
1 470 . 1 1 1 A 46 46 GLN CA C 408 55.631 55.021 0.610 1
1 471 . 1 1 1 A 46 46 GLN CB C 408 29.682 28.022 1.660 1
1 473 . 1 1 1 A 46 46 GLN N N 408 124.737 120.635 4.102 1
1 475 . 1 1 1 A 47 47 ILE H H 409 8.330 7.928 0.402 1
1 476 . 1 1 1 A 47 47 ILE HA H 409 4.237 3.692 0.545 1
1 486 . 1 1 1 A 47 47 ILE CA C 409 60.885 62.049 -1.164 1
1 487 . 1 1 1 A 47 47 ILE CB C 409 38.690 36.502 2.188 1
1 491 . 1 1 1 A 47 47 ILE N N 409 123.582 116.476 7.106 1
1 492 . 1 1 1 A 48 48 VAL H H 410 8.298 8.125 0.173 1
1 493 . 1 1 1 A 48 48 VAL HA H 410 4.183 4.403 -0.220 1
1 501 . 1 1 1 A 48 48 VAL CA C 410 62.351 61.223 1.128 1
1 502 . 1 1 1 A 48 48 VAL CB C 410 32.841 32.315 0.526 1
1 505 . 1 1 1 A 48 48 VAL N N 410 125.073 121.083 3.990 1
1 506 . 1 1 1 A 49 49 GLY H H 411 8.609 8.095 0.514 1
1 507 . 1 1 1 A 49 49 GLY HA2 H 411 4.032 4.017 0.015 1
1 508 . 1 1 1 A 49 49 GLY HA3 H 411 4.008 4.021 -0.013 1
1 509 . 1 1 1 A 49 49 GLY CA C 411 45.281 45.305 -0.024 1
1 510 . 1 1 1 A 49 49 GLY N N 411 113.133 116.928 -3.795 1
1 511 . 1 1 1 A 50 50 GLN H H 412 8.317 8.127 0.190 1
1 512 . 1 1 1 A 50 50 GLN HA H 412 4.403 3.989 0.414 1
1 519 . 1 1 1 A 50 50 GLN CA C 412 55.872 57.155 -1.283 1
1 520 . 1 1 1 A 50 50 GLN CB C 412 29.678 27.232 2.446 1
1 522 . 1 1 1 A 50 50 GLN N N 412 119.972 115.644 4.328 1
1 524 . 1 1 1 A 51 51 ASP H H 413 8.533 8.587 -0.054 1
1 525 . 1 1 1 A 51 51 ASP HA H 413 4.646 4.357 0.289 1
1 528 . 1 1 1 A 51 51 ASP CA C 413 54.459 55.214 -0.755 1
1 529 . 1 1 1 A 51 51 ASP CB C 413 41.215 39.523 1.692 1
1 530 . 1 1 1 A 51 51 ASP N N 413 121.378 118.704 2.674 1
1 531 . 1 1 1 A 52 52 GLU H H 414 8.457 8.514 -0.057 1
1 532 . 1 1 1 A 52 52 GLU HA H 414 4.392 4.073 0.319 1
1 537 . 1 1 1 A 52 52 GLU CA C 414 56.700 57.395 -0.695 1
1 538 . 1 1 1 A 52 52 GLU CB C 414 30.238 28.347 1.891 1
1 540 . 1 1 1 A 52 52 GLU N N 414 121.491 117.287 4.204 1
1 541 . 1 1 1 A 53 53 THR H H 415 8.263 7.827 0.436 1
1 542 . 1 1 1 A 53 53 THR HA H 415 4.306 4.665 -0.359 1
1 547 . 1 1 1 A 53 53 THR CA C 415 62.113 60.235 1.878 1
1 548 . 1 1 1 A 53 53 THR CB C 415 69.912 68.876 1.036 1
1 550 . 1 1 1 A 53 53 THR N N 415 114.960 109.029 5.931 1
1 551 . 1 1 1 A 54 54 ASP H H 416 8.279 8.512 -0.233 1
1 552 . 1 1 1 A 54 54 ASP HA H 416 4.661 4.995 -0.334 1
1 555 . 1 1 1 A 54 54 ASP CA C 416 53.775 53.584 0.191 1
1 556 . 1 1 1 A 54 54 ASP CB C 416 41.188 41.429 -0.241 1
1 557 . 1 1 1 A 54 54 ASP N N 416 123.335 124.148 -0.813 1
1 1 . 2 1 1 A 2 2 PRO HA H 364 4.519 4.780 -0.261 1
1 8 . 2 1 1 A 2 2 PRO CA C 364 63.238 62.416 0.822 1
1 9 . 2 1 1 A 2 2 PRO CB C 364 32.338 29.637 2.701 1
1 12 . 2 1 1 A 3 3 LEU H H 365 8.557 8.397 0.160 1
1 13 . 2 1 1 A 3 3 LEU HA H 365 4.406 4.808 -0.402 1
1 23 . 2 1 1 A 3 3 LEU CA C 365 55.436 54.066 1.370 1
1 24 . 2 1 1 A 3 3 LEU CB C 365 42.304 44.667 -2.363 1
1 28 . 2 1 1 A 3 3 LEU N N 365 122.297 124.355 -2.058 1
1 29 . 2 1 1 A 4 4 GLY H H 366 8.443 8.410 0.033 1
1 30 . 2 1 1 A 4 4 GLY HA2 H 366 4.040 4.070 -0.030 1
1 31 . 2 1 1 A 4 4 GLY HA3 H 366 4.056 4.073 -0.017 1
1 32 . 2 1 1 A 4 4 GLY CA C 366 45.361 44.638 0.723 1
1 33 . 2 1 1 A 4 4 GLY N N 366 110.040 109.154 0.886 1
1 34 . 2 1 1 A 5 5 SER H H 367 8.374 8.771 -0.397 1
1 35 . 2 1 1 A 5 5 SER HA H 367 4.521 4.073 0.448 1
1 38 . 2 1 1 A 5 5 SER CA C 367 58.573 58.881 -0.308 1
1 39 . 2 1 1 A 5 5 SER CB C 367 64.058 61.963 2.095 1
1 40 . 2 1 1 A 5 5 SER N N 367 116.007 115.032 0.975 1
1 41 . 2 1 1 A 6 6 GLY H H 368 8.639 8.336 0.303 1
1 42 . 2 1 1 A 6 6 GLY HA2 H 368 4.095 3.872 0.223 1
1 43 . 2 1 1 A 6 6 GLY HA3 H 368 4.067 3.894 0.173 1
1 44 . 2 1 1 A 6 6 GLY CA C 368 45.494 46.884 -1.390 1
1 45 . 2 1 1 A 6 6 GLY N N 368 111.362 110.711 0.651 1
1 46 . 2 1 1 A 7 7 SER H H 369 8.313 7.754 0.559 1
1 47 . 2 1 1 A 7 7 SER HA H 369 4.516 5.405 -0.889 1
1 50 . 2 1 1 A 7 7 SER CA C 369 58.583 56.749 1.834 1
1 51 . 2 1 1 A 7 7 SER CB C 369 63.973 65.850 -1.877 1
1 52 . 2 1 1 A 7 7 SER N N 369 115.885 114.027 1.858 1
1 53 . 2 1 1 A 8 8 GLU H H 370 8.630 9.286 -0.656 1
1 54 . 2 1 1 A 8 8 GLU HA H 370 4.330 4.647 -0.317 1
1 59 . 2 1 1 A 8 8 GLU CA C 370 57.138 55.981 1.157 1
1 60 . 2 1 1 A 8 8 GLU CB C 370 29.984 29.652 0.332 1
1 62 . 2 1 1 A 8 8 GLU N N 370 122.682 123.806 -1.124 1
1 63 . 2 1 1 A 9 9 GLY H H 371 8.394 8.280 0.114 1
1 64 . 2 1 1 A 9 9 GLY HA2 H 371 3.976 4.197 -0.221 1
1 65 . 2 1 1 A 9 9 GLY HA3 H 371 3.976 4.210 -0.234 1
1 66 . 2 1 1 A 9 9 GLY CA C 371 45.469 45.833 -0.364 1
1 67 . 2 1 1 A 9 9 GLY N N 371 109.245 109.164 0.081 1
1 68 . 2 1 1 A 10 10 ASN H H 372 8.283 7.925 0.358 1
1 69 . 2 1 1 A 10 10 ASN HA H 372 4.732 5.014 -0.282 1
1 74 . 2 1 1 A 10 10 ASN CA C 372 53.263 54.198 -0.935 1
1 75 . 2 1 1 A 10 10 ASN CB C 372 38.961 41.374 -2.413 1
1 76 . 2 1 1 A 10 10 ASN N N 372 118.662 116.530 2.132 1
1 78 . 2 1 1 A 11 11 LYS H H 373 8.264 7.937 0.327 1
1 79 . 2 1 1 A 11 11 LYS HA H 373 4.360 4.453 -0.093 1
1 88 . 2 1 1 A 11 11 LYS CA C 373 56.413 55.803 0.610 1
1 89 . 2 1 1 A 11 11 LYS CB C 373 33.054 32.485 0.569 1
1 93 . 2 1 1 A 11 11 LYS N N 373 121.729 119.256 2.473 1
1 94 . 2 1 1 A 12 12 VAL H H 374 8.114 7.770 0.344 1
1 95 . 2 1 1 A 12 12 VAL HA H 374 4.086 4.734 -0.648 1
1 103 . 2 1 1 A 12 12 VAL CA C 374 62.169 60.165 2.004 1
1 104 . 2 1 1 A 12 12 VAL CB C 374 32.862 36.202 -3.340 1
1 107 . 2 1 1 A 12 12 VAL N N 374 121.704 120.917 0.787 1
1 108 . 2 1 1 A 13 13 LYS H H 375 8.415 8.391 0.024 1
1 109 . 2 1 1 A 13 13 LYS HA H 375 4.383 4.552 -0.169 1
1 118 . 2 1 1 A 13 13 LYS CA C 375 55.989 55.468 0.521 1
1 119 . 2 1 1 A 13 13 LYS CB C 375 33.159 32.075 1.084 1
1 123 . 2 1 1 A 13 13 LYS N N 375 126.419 124.722 1.697 1
1 124 . 2 1 1 A 14 14 ARG H H 376 8.753 7.811 0.942 1
1 125 . 2 1 1 A 14 14 ARG HA H 376 4.363 4.210 0.153 1
1 132 . 2 1 1 A 14 14 ARG CA C 376 56.293 57.074 -0.781 1
1 133 . 2 1 1 A 14 14 ARG CB C 376 32.331 30.910 1.421 1
1 136 . 2 1 1 A 14 14 ARG N N 376 123.397 124.517 -1.120 1
1 137 . 2 1 1 A 15 15 THR H H 377 8.081 8.490 -0.409 1
1 138 . 2 1 1 A 15 15 THR HA H 377 4.398 4.222 0.176 1
1 143 . 2 1 1 A 15 15 THR CA C 377 61.533 62.819 -1.286 1
1 144 . 2 1 1 A 15 15 THR CB C 377 70.409 69.126 1.283 1
1 146 . 2 1 1 A 15 15 THR N N 377 117.600 117.261 0.339 1
1 147 . 2 1 1 A 16 16 SER H H 378 8.614 8.466 0.148 1
1 148 . 2 1 1 A 16 16 SER HA H 378 4.853 4.409 0.444 1
1 151 . 2 1 1 A 16 16 SER CA C 378 59.098 58.828 0.270 1
1 152 . 2 1 1 A 16 16 SER CB C 378 63.763 63.552 0.211 1
1 153 . 2 1 1 A 16 16 SER N N 378 121.120 120.823 0.297 1
1 154 . 2 1 1 A 17 17 CYS H H 379 9.252 8.333 0.919 1
1 155 . 2 1 1 A 17 17 CYS HA H 379 3.994 4.837 -0.843 1
1 158 . 2 1 1 A 17 17 CYS CA C 379 60.962 59.079 1.883 1
1 159 . 2 1 1 A 17 17 CYS CB C 379 29.581 28.469 1.112 1
1 160 . 2 1 1 A 17 17 CYS N N 379 127.790 123.956 3.834 1
1 161 . 2 1 1 A 18 18 MET H H 380 8.831 8.791 0.040 1
1 162 . 2 1 1 A 18 18 MET HA H 380 4.212 4.160 0.052 1
1 170 . 2 1 1 A 18 18 MET CA C 380 58.209 57.882 0.327 1
1 171 . 2 1 1 A 18 18 MET CB C 380 31.936 31.667 0.269 1
1 174 . 2 1 1 A 18 18 MET N N 380 130.017 125.499 4.518 1
1 175 . 2 1 1 A 19 19 TYR H H 381 8.701 7.802 0.899 1
1 176 . 2 1 1 A 19 19 TYR HA H 381 4.579 4.654 -0.075 1
1 183 . 2 1 1 A 19 19 TYR CA C 381 58.762 58.162 0.600 1
1 184 . 2 1 1 A 19 19 TYR CB C 381 37.595 38.810 -1.215 1
1 189 . 2 1 1 A 19 19 TYR N N 381 120.369 116.781 3.588 1
1 190 . 2 1 1 A 20 20 GLY H H 382 7.760 8.083 -0.323 1
1 191 . 2 1 1 A 20 20 GLY HA2 H 382 3.710 3.991 -0.281 1
1 192 . 2 1 1 A 20 20 GLY HA3 H 382 4.085 4.054 0.031 1
1 193 . 2 1 1 A 20 20 GLY CA C 382 47.627 47.501 0.126 1
1 194 . 2 1 1 A 20 20 GLY N N 382 107.481 108.754 -1.273 1
1 195 . 2 1 1 A 21 21 ALA H H 383 9.248 8.464 0.784 1
1 196 . 2 1 1 A 21 21 ALA HA H 383 4.354 4.384 -0.030 1
1 200 . 2 1 1 A 21 21 ALA CA C 383 53.398 51.939 1.459 1
1 201 . 2 1 1 A 21 21 ALA CB C 383 18.808 19.632 -0.824 1
1 202 . 2 1 1 A 21 21 ALA N N 383 128.449 129.256 -0.807 1
1 203 . 2 1 1 A 22 22 ASN H H 384 8.261 7.971 0.290 1
1 204 . 2 1 1 A 22 22 ASN HA H 384 4.944 5.138 -0.194 1
1 209 . 2 1 1 A 22 22 ASN CA C 384 52.140 52.892 -0.752 1
1 210 . 2 1 1 A 22 22 ASN CB C 384 38.940 39.763 -0.823 1
1 211 . 2 1 1 A 22 22 ASN N N 384 115.516 115.881 -0.365 1
1 213 . 2 1 1 A 23 23 CYS H H 385 7.174 7.690 -0.516 1
1 214 . 2 1 1 A 23 23 CYS HA H 385 3.736 3.969 -0.233 1
1 217 . 2 1 1 A 23 23 CYS CA C 385 61.867 58.241 3.626 1
1 218 . 2 1 1 A 23 23 CYS CB C 385 29.434 26.682 2.752 1
1 219 . 2 1 1 A 23 23 CYS N N 385 121.580 121.182 0.398 1
1 220 . 2 1 1 A 24 24 TYR H H 386 7.680 7.981 -0.301 1
1 221 . 2 1 1 A 24 24 TYR HA H 386 4.858 4.038 0.820 1
1 228 . 2 1 1 A 24 24 TYR CA C 386 56.348 60.519 -4.171 1
1 229 . 2 1 1 A 24 24 TYR CB C 386 38.216 37.601 0.615 1
1 234 . 2 1 1 A 24 24 TYR N N 386 126.676 124.952 1.724 1
1 235 . 2 1 1 A 25 25 ARG H H 387 7.988 6.274 1.714 1
1 236 . 2 1 1 A 25 25 ARG HA H 387 4.054 4.211 -0.157 1
1 243 . 2 1 1 A 25 25 ARG CA C 387 56.282 55.578 0.704 1
1 244 . 2 1 1 A 25 25 ARG CB C 387 29.894 30.789 -0.895 1
1 247 . 2 1 1 A 25 25 ARG N N 387 123.491 118.235 5.256 1
1 248 . 2 1 1 A 26 26 LYS H H 388 8.951 8.801 0.150 1
1 249 . 2 1 1 A 26 26 LYS HA H 388 4.635 4.854 -0.219 1
1 258 . 2 1 1 A 26 26 LYS CA C 388 55.605 55.082 0.523 1
1 259 . 2 1 1 A 26 26 LYS CB C 388 34.387 33.592 0.795 1
1 263 . 2 1 1 A 26 26 LYS N N 388 118.569 117.996 0.573 1
1 264 . 2 1 1 A 27 27 ASN H H 389 8.400 8.498 -0.098 1
1 265 . 2 1 1 A 27 27 ASN HA H 389 4.950 5.265 -0.315 1
1 270 . 2 1 1 A 27 27 ASN CA C 389 51.827 49.725 2.102 1
1 271 . 2 1 1 A 27 27 ASN CB C 389 39.171 39.742 -0.571 1
1 272 . 2 1 1 A 27 27 ASN N N 389 122.702 123.517 -0.815 1
1 274 . 2 1 1 A 28 28 PRO HA H 390 4.595 4.577 0.018 1
1 281 . 2 1 1 A 28 28 PRO CA C 390 65.632 66.363 -0.731 1
1 282 . 2 1 1 A 28 28 PRO CB C 390 32.574 31.440 1.134 1
1 285 . 2 1 1 A 29 29 VAL H H 391 8.337 7.901 0.436 1
1 286 . 2 1 1 A 29 29 VAL HA H 391 3.818 4.108 -0.290 1
1 294 . 2 1 1 A 29 29 VAL CA C 391 65.608 65.627 -0.019 1
1 295 . 2 1 1 A 29 29 VAL CB C 391 31.546 31.610 -0.064 1
1 298 . 2 1 1 A 29 29 VAL N N 391 117.431 115.817 1.614 1
1 299 . 2 1 1 A 30 30 HIS H H 392 8.037 8.135 -0.098 1
1 300 . 2 1 1 A 30 30 HIS HA H 392 4.565 4.277 0.288 1
1 305 . 2 1 1 A 30 30 HIS CA C 392 60.297 58.994 1.303 1
1 306 . 2 1 1 A 30 30 HIS CB C 392 27.700 29.437 -1.737 1
1 309 . 2 1 1 A 30 30 HIS N N 392 120.267 120.057 0.210 1
1 310 . 2 1 1 A 31 31 PHE H H 393 7.059 8.487 -1.428 1
1 311 . 2 1 1 A 31 31 PHE HA H 393 4.465 4.421 0.044 1
1 319 . 2 1 1 A 31 31 PHE CA C 393 59.951 61.534 -1.583 1
1 320 . 2 1 1 A 31 31 PHE CB C 393 38.577 38.178 0.399 1
1 326 . 2 1 1 A 31 31 PHE N N 393 114.802 117.470 -2.668 1
1 327 . 2 1 1 A 32 32 GLN H H 394 7.671 8.042 -0.371 1
1 328 . 2 1 1 A 32 32 GLN HA H 394 4.261 4.380 -0.119 1
1 335 . 2 1 1 A 32 32 GLN CA C 394 57.393 58.595 -1.202 1
1 336 . 2 1 1 A 32 32 GLN CB C 394 28.710 28.579 0.131 1
1 338 . 2 1 1 A 32 32 GLN N N 394 117.129 119.823 -2.694 1
1 340 . 2 1 1 A 33 33 HIS H H 395 7.581 7.641 -0.060 1
1 341 . 2 1 1 A 33 33 HIS HA H 395 4.498 4.381 0.117 1
1 346 . 2 1 1 A 33 33 HIS CA C 395 56.467 57.568 -1.101 1
1 347 . 2 1 1 A 33 33 HIS CB C 395 31.398 31.392 0.006 1
1 350 . 2 1 1 A 33 33 HIS N N 395 115.481 114.813 0.668 1
1 351 . 2 1 1 A 34 34 PHE H H 396 8.044 8.063 -0.019 1
1 352 . 2 1 1 A 34 34 PHE HA H 396 5.398 5.279 0.119 1
1 360 . 2 1 1 A 34 34 PHE CA C 396 56.318 56.092 0.226 1
1 361 . 2 1 1 A 34 34 PHE CB C 396 41.617 41.353 0.264 1
1 367 . 2 1 1 A 34 34 PHE N N 396 117.547 116.137 1.410 1
1 368 . 2 1 1 A 35 35 SER H H 397 8.603 9.170 -0.567 1
1 369 . 2 1 1 A 35 35 SER HA H 397 4.769 5.058 -0.289 1
1 372 . 2 1 1 A 35 35 SER CA C 397 56.350 57.758 -1.408 1
1 373 . 2 1 1 A 35 35 SER CB C 397 65.912 64.803 1.109 1
1 374 . 2 1 1 A 35 35 SER N N 397 114.732 118.293 -3.561 1
1 375 . 2 1 1 A 36 36 HIS H H 398 9.538 8.940 0.598 1
1 376 . 2 1 1 A 36 36 HIS HA H 398 4.572 5.054 -0.482 1
1 381 . 2 1 1 A 36 36 HIS CA C 398 56.432 53.815 2.617 1
1 382 . 2 1 1 A 36 36 HIS CB C 398 29.935 33.108 -3.173 1
1 385 . 2 1 1 A 36 36 HIS N N 398 120.612 119.565 1.047 1
1 386 . 2 1 1 A 37 37 PRO HA H 399 3.457 3.234 0.223 1
1 393 . 2 1 1 A 37 37 PRO CA C 399 64.278 63.130 1.148 1
1 394 . 2 1 1 A 37 37 PRO CB C 399 30.979 31.079 -0.100 1
1 397 . 2 1 1 A 38 38 GLY H H 400 8.832 8.732 0.100 1
1 398 . 2 1 1 A 38 38 GLY HA2 H 400 3.593 3.856 -0.263 1
1 399 . 2 1 1 A 38 38 GLY HA3 H 400 4.522 3.870 0.652 1
1 400 . 2 1 1 A 38 38 GLY CA C 400 44.843 45.227 -0.384 1
1 401 . 2 1 1 A 38 38 GLY N N 400 115.162 112.012 3.150 1
1 402 . 2 1 1 A 39 39 ASP H H 401 8.505 7.531 0.974 1
1 403 . 2 1 1 A 39 39 ASP HA H 401 4.938 4.958 -0.020 1
1 406 . 2 1 1 A 39 39 ASP CA C 401 54.320 53.399 0.921 1
1 407 . 2 1 1 A 39 39 ASP CB C 401 41.893 42.360 -0.467 1
1 408 . 2 1 1 A 39 39 ASP N N 401 121.905 121.103 0.802 1
1 409 . 2 1 1 A 40 40 SER H H 402 9.378 9.005 0.373 1
1 410 . 2 1 1 A 40 40 SER HA H 402 4.281 4.201 0.080 1
1 413 . 2 1 1 A 40 40 SER CA C 402 61.078 60.902 0.176 1
1 414 . 2 1 1 A 40 40 SER CB C 402 62.829 63.023 -0.194 1
1 415 . 2 1 1 A 40 40 SER N N 402 119.493 117.098 2.395 1
1 416 . 2 1 1 A 41 41 ASP H H 403 8.924 8.018 0.906 1
1 417 . 2 1 1 A 41 41 ASP HA H 403 4.697 4.794 -0.097 1
1 420 . 2 1 1 A 41 41 ASP CA C 403 52.287 53.778 -1.491 1
1 421 . 2 1 1 A 41 41 ASP CB C 403 39.077 41.758 -2.681 1
1 422 . 2 1 1 A 41 41 ASP N N 403 116.599 117.756 -1.157 1
1 423 . 2 1 1 A 42 42 TYR H H 404 7.427 7.614 -0.187 1
1 424 . 2 1 1 A 42 42 TYR HA H 404 4.452 4.424 0.028 1
1 431 . 2 1 1 A 42 42 TYR CA C 404 59.218 59.870 -0.652 1
1 432 . 2 1 1 A 42 42 TYR CB C 404 39.543 39.234 0.309 1
1 437 . 2 1 1 A 42 42 TYR N N 404 122.560 123.309 -0.749 1
1 438 . 2 1 1 A 43 43 GLY H H 405 7.715 8.175 -0.460 1
1 439 . 2 1 1 A 43 43 GLY HA2 H 405 3.743 3.935 -0.192 1
1 440 . 2 1 1 A 43 43 GLY HA3 H 405 3.704 4.029 -0.325 1
1 441 . 2 1 1 A 43 43 GLY CA C 405 45.100 45.381 -0.281 1
1 442 . 2 1 1 A 43 43 GLY N N 405 114.997 113.080 1.917 1
1 443 . 2 1 1 A 44 44 GLY H H 406 7.088 7.118 -0.030 1
1 444 . 2 1 1 A 44 44 GLY HA2 H 406 3.887 3.522 0.365 1
1 445 . 2 1 1 A 44 44 GLY HA3 H 406 3.887 3.559 0.328 1
1 446 . 2 1 1 A 44 44 GLY CA C 406 45.011 46.886 -1.875 1
1 447 . 2 1 1 A 44 44 GLY N N 406 107.744 107.441 0.303 1
1 448 . 2 1 1 A 45 45 VAL H H 407 8.064 7.708 0.356 1
1 449 . 2 1 1 A 45 45 VAL HA H 407 4.147 3.761 0.386 1
1 457 . 2 1 1 A 45 45 VAL CA C 407 62.222 62.851 -0.629 1
1 458 . 2 1 1 A 45 45 VAL CB C 407 32.899 29.900 2.999 1
1 461 . 2 1 1 A 45 45 VAL N N 407 119.029 115.148 3.881 1
1 462 . 2 1 1 A 46 46 GLN H H 408 8.506 7.792 0.714 1
1 463 . 2 1 1 A 46 46 GLN HA H 408 4.433 4.640 -0.207 1
1 470 . 2 1 1 A 46 46 GLN CA C 408 55.631 54.673 0.958 1
1 471 . 2 1 1 A 46 46 GLN CB C 408 29.682 28.605 1.077 1
1 473 . 2 1 1 A 46 46 GLN N N 408 124.737 116.882 7.855 1
1 475 . 2 1 1 A 47 47 ILE H H 409 8.330 8.671 -0.341 1
1 476 . 2 1 1 A 47 47 ILE HA H 409 4.237 4.367 -0.130 1
1 486 . 2 1 1 A 47 47 ILE CA C 409 60.885 60.593 0.292 1
1 487 . 2 1 1 A 47 47 ILE CB C 409 38.690 36.325 2.365 1
1 491 . 2 1 1 A 47 47 ILE N N 409 123.582 126.162 -2.580 1
1 492 . 2 1 1 A 48 48 VAL H H 410 8.298 8.505 -0.207 1
1 493 . 2 1 1 A 48 48 VAL HA H 410 4.183 4.446 -0.263 1
1 501 . 2 1 1 A 48 48 VAL CA C 410 62.351 60.950 1.401 1
1 502 . 2 1 1 A 48 48 VAL CB C 410 32.841 32.115 0.726 1
1 505 . 2 1 1 A 48 48 VAL N N 410 125.073 126.670 -1.597 1
1 506 . 2 1 1 A 49 49 GLY H H 411 8.609 8.405 0.204 1
1 507 . 2 1 1 A 49 49 GLY HA2 H 411 4.032 3.993 0.039 1
1 508 . 2 1 1 A 49 49 GLY HA3 H 411 4.008 3.996 0.012 1
1 509 . 2 1 1 A 49 49 GLY CA C 411 45.281 46.358 -1.077 1
1 510 . 2 1 1 A 49 49 GLY N N 411 113.133 115.103 -1.970 1
1 511 . 2 1 1 A 50 50 GLN H H 412 8.317 8.316 0.001 1
1 512 . 2 1 1 A 50 50 GLN HA H 412 4.403 4.082 0.321 1
1 519 . 2 1 1 A 50 50 GLN CA C 412 55.872 58.898 -3.026 1
1 520 . 2 1 1 A 50 50 GLN CB C 412 29.678 28.729 0.949 1
1 522 . 2 1 1 A 50 50 GLN N N 412 119.972 118.611 1.361 1
1 524 . 2 1 1 A 51 51 ASP H H 413 8.533 7.736 0.797 1
1 525 . 2 1 1 A 51 51 ASP HA H 413 4.646 4.877 -0.231 1
1 528 . 2 1 1 A 51 51 ASP CA C 413 54.459 53.006 1.453 1
1 529 . 2 1 1 A 51 51 ASP CB C 413 41.215 41.862 -0.647 1
1 530 . 2 1 1 A 51 51 ASP N N 413 121.378 116.794 4.584 1
1 531 . 2 1 1 A 52 52 GLU H H 414 8.457 8.118 0.339 1
1 532 . 2 1 1 A 52 52 GLU HA H 414 4.392 3.916 0.476 1
1 537 . 2 1 1 A 52 52 GLU CA C 414 56.700 57.577 -0.877 1
1 538 . 2 1 1 A 52 52 GLU CB C 414 30.238 27.137 3.101 1
1 540 . 2 1 1 A 52 52 GLU N N 414 121.491 115.286 6.205 1
1 541 . 2 1 1 A 53 53 THR H H 415 8.263 8.022 0.241 1
1 542 . 2 1 1 A 53 53 THR HA H 415 4.306 4.655 -0.349 1
1 547 . 2 1 1 A 53 53 THR CA C 415 62.113 60.105 2.008 1
1 548 . 2 1 1 A 53 53 THR CB C 415 69.912 68.968 0.944 1
1 550 . 2 1 1 A 53 53 THR N N 415 114.960 108.746 6.214 1
1 551 . 2 1 1 A 54 54 ASP H H 416 8.279 8.584 -0.305 1
1 552 . 2 1 1 A 54 54 ASP HA H 416 4.661 5.091 -0.430 1
1 555 . 2 1 1 A 54 54 ASP CA C 416 53.775 52.890 0.885 1
1 556 . 2 1 1 A 54 54 ASP CB C 416 41.188 41.264 -0.076 1
1 557 . 2 1 1 A 54 54 ASP N N 416 123.335 124.050 -0.715 1
1 1 . 3 1 1 A 2 2 PRO HA H 364 4.519 4.804 -0.285 1
1 8 . 3 1 1 A 2 2 PRO CA C 364 63.238 62.446 0.792 1
1 9 . 3 1 1 A 2 2 PRO CB C 364 32.338 29.560 2.778 1
1 12 . 3 1 1 A 3 3 LEU H H 365 8.557 8.303 0.254 1
1 13 . 3 1 1 A 3 3 LEU HA H 365 4.406 4.839 -0.433 1
1 23 . 3 1 1 A 3 3 LEU CA C 365 55.436 54.079 1.357 1
1 24 . 3 1 1 A 3 3 LEU CB C 365 42.304 43.583 -1.279 1
1 28 . 3 1 1 A 3 3 LEU N N 365 122.297 124.729 -2.432 1
1 29 . 3 1 1 A 4 4 GLY H H 366 8.443 8.697 -0.254 1
1 30 . 3 1 1 A 4 4 GLY HA2 H 366 4.040 4.393 -0.353 1
1 31 . 3 1 1 A 4 4 GLY HA3 H 366 4.056 4.394 -0.338 1
1 32 . 3 1 1 A 4 4 GLY CA C 366 45.361 44.660 0.701 1
1 33 . 3 1 1 A 4 4 GLY N N 366 110.040 111.995 -1.955 1
1 34 . 3 1 1 A 5 5 SER H H 367 8.374 8.527 -0.153 1
1 35 . 3 1 1 A 5 5 SER HA H 367 4.521 4.589 -0.068 1
1 38 . 3 1 1 A 5 5 SER CA C 367 58.573 58.772 -0.199 1
1 39 . 3 1 1 A 5 5 SER CB C 367 64.058 64.156 -0.098 1
1 40 . 3 1 1 A 5 5 SER N N 367 116.007 115.100 0.907 1
1 41 . 3 1 1 A 6 6 GLY H H 368 8.639 7.863 0.776 1
1 42 . 3 1 1 A 6 6 GLY HA2 H 368 4.095 3.789 0.306 1
1 43 . 3 1 1 A 6 6 GLY HA3 H 368 4.067 3.808 0.259 1
1 44 . 3 1 1 A 6 6 GLY CA C 368 45.494 46.811 -1.317 1
1 45 . 3 1 1 A 6 6 GLY N N 368 111.362 109.436 1.926 1
1 46 . 3 1 1 A 7 7 SER H H 369 8.313 8.410 -0.097 1
1 47 . 3 1 1 A 7 7 SER HA H 369 4.516 5.289 -0.773 1
1 50 . 3 1 1 A 7 7 SER CA C 369 58.583 57.308 1.275 1
1 51 . 3 1 1 A 7 7 SER CB C 369 63.973 64.887 -0.914 1
1 52 . 3 1 1 A 7 7 SER N N 369 115.885 117.160 -1.275 1
1 53 . 3 1 1 A 8 8 GLU H H 370 8.630 8.840 -0.210 1
1 54 . 3 1 1 A 8 8 GLU HA H 370 4.330 4.705 -0.375 1
1 59 . 3 1 1 A 8 8 GLU CA C 370 57.138 55.472 1.666 1
1 60 . 3 1 1 A 8 8 GLU CB C 370 29.984 31.789 -1.805 1
1 62 . 3 1 1 A 8 8 GLU N N 370 122.682 124.885 -2.203 1
1 63 . 3 1 1 A 9 9 GLY H H 371 8.394 8.563 -0.169 1
1 64 . 3 1 1 A 9 9 GLY HA2 H 371 3.976 4.024 -0.048 1
1 65 . 3 1 1 A 9 9 GLY HA3 H 371 3.976 4.038 -0.062 1
1 66 . 3 1 1 A 9 9 GLY CA C 371 45.469 46.367 -0.898 1
1 67 . 3 1 1 A 9 9 GLY N N 371 109.245 110.294 -1.049 1
1 68 . 3 1 1 A 10 10 ASN H H 372 8.283 8.235 0.048 1
1 69 . 3 1 1 A 10 10 ASN HA H 372 4.732 4.997 -0.265 1
1 74 . 3 1 1 A 10 10 ASN CA C 372 53.263 54.139 -0.876 1
1 75 . 3 1 1 A 10 10 ASN CB C 372 38.961 41.429 -2.468 1
1 76 . 3 1 1 A 10 10 ASN N N 372 118.662 116.036 2.626 1
1 78 . 3 1 1 A 11 11 LYS H H 373 8.264 8.119 0.145 1
1 79 . 3 1 1 A 11 11 LYS HA H 373 4.360 4.479 -0.119 1
1 88 . 3 1 1 A 11 11 LYS CA C 373 56.413 55.206 1.207 1
1 89 . 3 1 1 A 11 11 LYS CB C 373 33.054 32.472 0.582 1
1 93 . 3 1 1 A 11 11 LYS N N 373 121.729 117.728 4.001 1
1 94 . 3 1 1 A 12 12 VAL H H 374 8.114 7.605 0.509 1
1 95 . 3 1 1 A 12 12 VAL HA H 374 4.086 4.836 -0.750 1
1 103 . 3 1 1 A 12 12 VAL CA C 374 62.169 59.386 2.783 1
1 104 . 3 1 1 A 12 12 VAL CB C 374 32.862 35.716 -2.854 1
1 107 . 3 1 1 A 12 12 VAL N N 374 121.704 119.907 1.797 1
1 108 . 3 1 1 A 13 13 LYS H H 375 8.415 8.362 0.053 1
1 109 . 3 1 1 A 13 13 LYS HA H 375 4.383 4.420 -0.037 1
1 118 . 3 1 1 A 13 13 LYS CA C 375 55.989 55.279 0.710 1
1 119 . 3 1 1 A 13 13 LYS CB C 375 33.159 31.659 1.500 1
1 123 . 3 1 1 A 13 13 LYS N N 375 126.419 126.401 0.018 1
1 124 . 3 1 1 A 14 14 ARG H H 376 8.753 7.969 0.784 1
1 125 . 3 1 1 A 14 14 ARG HA H 376 4.363 4.269 0.094 1
1 132 . 3 1 1 A 14 14 ARG CA C 376 56.293 56.714 -0.421 1
1 133 . 3 1 1 A 14 14 ARG CB C 376 32.331 30.879 1.452 1
1 136 . 3 1 1 A 14 14 ARG N N 376 123.397 126.592 -3.195 1
1 137 . 3 1 1 A 15 15 THR H H 377 8.081 8.177 -0.096 1
1 138 . 3 1 1 A 15 15 THR HA H 377 4.398 4.382 0.016 1
1 143 . 3 1 1 A 15 15 THR CA C 377 61.533 62.572 -1.039 1
1 144 . 3 1 1 A 15 15 THR CB C 377 70.409 69.666 0.743 1
1 146 . 3 1 1 A 15 15 THR N N 377 117.600 117.820 -0.220 1
1 147 . 3 1 1 A 16 16 SER H H 378 8.614 8.424 0.190 1
1 148 . 3 1 1 A 16 16 SER HA H 378 4.853 4.436 0.417 1
1 151 . 3 1 1 A 16 16 SER CA C 378 59.098 58.835 0.263 1
1 152 . 3 1 1 A 16 16 SER CB C 378 63.763 63.677 0.086 1
1 153 . 3 1 1 A 16 16 SER N N 378 121.120 121.636 -0.516 1
1 154 . 3 1 1 A 17 17 CYS H H 379 9.252 8.293 0.959 1
1 155 . 3 1 1 A 17 17 CYS HA H 379 3.994 4.611 -0.617 1
1 158 . 3 1 1 A 17 17 CYS CA C 379 60.962 59.192 1.770 1
1 159 . 3 1 1 A 17 17 CYS CB C 379 29.581 28.363 1.218 1
1 160 . 3 1 1 A 17 17 CYS N N 379 127.790 124.315 3.475 1
1 161 . 3 1 1 A 18 18 MET H H 380 8.831 8.534 0.297 1
1 162 . 3 1 1 A 18 18 MET HA H 380 4.212 4.046 0.166 1
1 170 . 3 1 1 A 18 18 MET CA C 380 58.209 57.745 0.464 1
1 171 . 3 1 1 A 18 18 MET CB C 380 31.936 31.125 0.811 1
1 174 . 3 1 1 A 18 18 MET N N 380 130.017 125.529 4.488 1
1 175 . 3 1 1 A 19 19 TYR H H 381 8.701 7.611 1.090 1
1 176 . 3 1 1 A 19 19 TYR HA H 381 4.579 4.602 -0.023 1
1 183 . 3 1 1 A 19 19 TYR CA C 381 58.762 58.383 0.379 1
1 184 . 3 1 1 A 19 19 TYR CB C 381 37.595 38.673 -1.078 1
1 189 . 3 1 1 A 19 19 TYR N N 381 120.369 117.108 3.261 1
1 190 . 3 1 1 A 20 20 GLY H H 382 7.760 8.113 -0.353 1
1 191 . 3 1 1 A 20 20 GLY HA2 H 382 3.710 3.978 -0.268 1
1 192 . 3 1 1 A 20 20 GLY HA3 H 382 4.085 4.044 0.041 1
1 193 . 3 1 1 A 20 20 GLY CA C 382 47.627 47.495 0.132 1
1 194 . 3 1 1 A 20 20 GLY N N 382 107.481 108.402 -0.921 1
1 195 . 3 1 1 A 21 21 ALA H H 383 9.248 8.394 0.854 1
1 196 . 3 1 1 A 21 21 ALA HA H 383 4.354 4.409 -0.055 1
1 200 . 3 1 1 A 21 21 ALA CA C 383 53.398 51.824 1.574 1
1 201 . 3 1 1 A 21 21 ALA CB C 383 18.808 19.475 -0.667 1
1 202 . 3 1 1 A 21 21 ALA N N 383 128.449 129.262 -0.813 1
1 203 . 3 1 1 A 22 22 ASN H H 384 8.261 7.770 0.491 1
1 204 . 3 1 1 A 22 22 ASN HA H 384 4.944 5.042 -0.098 1
1 209 . 3 1 1 A 22 22 ASN CA C 384 52.140 52.510 -0.370 1
1 210 . 3 1 1 A 22 22 ASN CB C 384 38.940 39.589 -0.649 1
1 211 . 3 1 1 A 22 22 ASN N N 384 115.516 115.948 -0.432 1
1 213 . 3 1 1 A 23 23 CYS H H 385 7.174 7.723 -0.549 1
1 214 . 3 1 1 A 23 23 CYS HA H 385 3.736 3.772 -0.036 1
1 217 . 3 1 1 A 23 23 CYS CA C 385 61.867 58.334 3.533 1
1 218 . 3 1 1 A 23 23 CYS CB C 385 29.434 26.812 2.622 1
1 219 . 3 1 1 A 23 23 CYS N N 385 121.580 121.090 0.490 1
1 220 . 3 1 1 A 24 24 TYR H H 386 7.680 7.621 0.059 1
1 221 . 3 1 1 A 24 24 TYR HA H 386 4.858 4.085 0.773 1
1 228 . 3 1 1 A 24 24 TYR CA C 386 56.348 60.278 -3.930 1
1 229 . 3 1 1 A 24 24 TYR CB C 386 38.216 37.606 0.610 1
1 234 . 3 1 1 A 24 24 TYR N N 386 126.676 125.047 1.629 1
1 235 . 3 1 1 A 25 25 ARG H H 387 7.988 6.275 1.713 1
1 236 . 3 1 1 A 25 25 ARG HA H 387 4.054 4.472 -0.418 1
1 243 . 3 1 1 A 25 25 ARG CA C 387 56.282 55.145 1.137 1
1 244 . 3 1 1 A 25 25 ARG CB C 387 29.894 31.093 -1.199 1
1 247 . 3 1 1 A 25 25 ARG N N 387 123.491 117.783 5.708 1
1 248 . 3 1 1 A 26 26 LYS H H 388 8.951 8.881 0.070 1
1 249 . 3 1 1 A 26 26 LYS HA H 388 4.635 4.749 -0.114 1
1 258 . 3 1 1 A 26 26 LYS CA C 388 55.605 54.679 0.926 1
1 259 . 3 1 1 A 26 26 LYS CB C 388 34.387 35.955 -1.568 1
1 263 . 3 1 1 A 26 26 LYS N N 388 118.569 119.480 -0.911 1
1 264 . 3 1 1 A 27 27 ASN H H 389 8.400 8.594 -0.194 1
1 265 . 3 1 1 A 27 27 ASN HA H 389 4.950 5.197 -0.247 1
1 270 . 3 1 1 A 27 27 ASN CA C 389 51.827 50.093 1.734 1
1 271 . 3 1 1 A 27 27 ASN CB C 389 39.171 39.182 -0.011 1
1 272 . 3 1 1 A 27 27 ASN N N 389 122.702 120.019 2.683 1
1 274 . 3 1 1 A 28 28 PRO HA H 390 4.595 4.505 0.090 1
1 281 . 3 1 1 A 28 28 PRO CA C 390 65.632 64.909 0.723 1
1 282 . 3 1 1 A 28 28 PRO CB C 390 32.574 32.216 0.358 1
1 285 . 3 1 1 A 29 29 VAL H H 391 8.337 7.656 0.681 1
1 286 . 3 1 1 A 29 29 VAL HA H 391 3.818 4.416 -0.598 1
1 294 . 3 1 1 A 29 29 VAL CA C 391 65.608 64.477 1.131 1
1 295 . 3 1 1 A 29 29 VAL CB C 391 31.546 31.744 -0.198 1
1 298 . 3 1 1 A 29 29 VAL N N 391 117.431 116.101 1.330 1
1 299 . 3 1 1 A 30 30 HIS H H 392 8.037 8.149 -0.112 1
1 300 . 3 1 1 A 30 30 HIS HA H 392 4.565 4.141 0.424 1
1 305 . 3 1 1 A 30 30 HIS CA C 392 60.297 59.112 1.185 1
1 306 . 3 1 1 A 30 30 HIS CB C 392 27.700 29.605 -1.905 1
1 309 . 3 1 1 A 30 30 HIS N N 392 120.267 120.466 -0.199 1
1 310 . 3 1 1 A 31 31 PHE H H 393 7.059 7.707 -0.648 1
1 311 . 3 1 1 A 31 31 PHE HA H 393 4.465 4.457 0.008 1
1 319 . 3 1 1 A 31 31 PHE CA C 393 59.951 61.729 -1.778 1
1 320 . 3 1 1 A 31 31 PHE CB C 393 38.577 38.403 0.174 1
1 326 . 3 1 1 A 31 31 PHE N N 393 114.802 117.943 -3.141 1
1 327 . 3 1 1 A 32 32 GLN H H 394 7.671 8.017 -0.346 1
1 328 . 3 1 1 A 32 32 GLN HA H 394 4.261 4.312 -0.051 1
1 335 . 3 1 1 A 32 32 GLN CA C 394 57.393 58.706 -1.313 1
1 336 . 3 1 1 A 32 32 GLN CB C 394 28.710 28.412 0.298 1
1 338 . 3 1 1 A 32 32 GLN N N 394 117.129 119.425 -2.296 1
1 340 . 3 1 1 A 33 33 HIS H H 395 7.581 7.675 -0.094 1
1 341 . 3 1 1 A 33 33 HIS HA H 395 4.498 4.141 0.357 1
1 346 . 3 1 1 A 33 33 HIS CA C 395 56.467 58.015 -1.548 1
1 347 . 3 1 1 A 33 33 HIS CB C 395 31.398 30.708 0.690 1
1 350 . 3 1 1 A 33 33 HIS N N 395 115.481 115.152 0.329 1
1 351 . 3 1 1 A 34 34 PHE H H 396 8.044 7.729 0.315 1
1 352 . 3 1 1 A 34 34 PHE HA H 396 5.398 5.176 0.222 1
1 360 . 3 1 1 A 34 34 PHE CA C 396 56.318 56.288 0.030 1
1 361 . 3 1 1 A 34 34 PHE CB C 396 41.617 42.342 -0.725 1
1 367 . 3 1 1 A 34 34 PHE N N 396 117.547 115.722 1.825 1
1 368 . 3 1 1 A 35 35 SER H H 397 8.603 9.531 -0.928 1
1 369 . 3 1 1 A 35 35 SER HA H 397 4.769 4.931 -0.162 1
1 372 . 3 1 1 A 35 35 SER CA C 397 56.350 58.312 -1.962 1
1 373 . 3 1 1 A 35 35 SER CB C 397 65.912 64.461 1.451 1
1 374 . 3 1 1 A 35 35 SER N N 397 114.732 118.861 -4.129 1
1 375 . 3 1 1 A 36 36 HIS H H 398 9.538 8.865 0.673 1
1 376 . 3 1 1 A 36 36 HIS HA H 398 4.572 5.133 -0.561 1
1 381 . 3 1 1 A 36 36 HIS CA C 398 56.432 53.896 2.536 1
1 382 . 3 1 1 A 36 36 HIS CB C 398 29.935 33.155 -3.220 1
1 385 . 3 1 1 A 36 36 HIS N N 398 120.612 119.351 1.261 1
1 386 . 3 1 1 A 37 37 PRO HA H 399 3.457 2.941 0.516 1
1 393 . 3 1 1 A 37 37 PRO CA C 399 64.278 63.063 1.215 1
1 394 . 3 1 1 A 37 37 PRO CB C 399 30.979 30.958 0.021 1
1 397 . 3 1 1 A 38 38 GLY H H 400 8.832 8.683 0.149 1
1 398 . 3 1 1 A 38 38 GLY HA2 H 400 3.593 3.787 -0.194 1
1 399 . 3 1 1 A 38 38 GLY HA3 H 400 4.522 3.795 0.727 1
1 400 . 3 1 1 A 38 38 GLY CA C 400 44.843 45.088 -0.245 1
1 401 . 3 1 1 A 38 38 GLY N N 400 115.162 112.205 2.957 1
1 402 . 3 1 1 A 39 39 ASP H H 401 8.505 7.437 1.068 1
1 403 . 3 1 1 A 39 39 ASP HA H 401 4.938 4.977 -0.039 1
1 406 . 3 1 1 A 39 39 ASP CA C 401 54.320 52.634 1.686 1
1 407 . 3 1 1 A 39 39 ASP CB C 401 41.893 43.163 -1.270 1
1 408 . 3 1 1 A 39 39 ASP N N 401 121.905 120.713 1.192 1
1 409 . 3 1 1 A 40 40 SER H H 402 9.378 9.130 0.248 1
1 410 . 3 1 1 A 40 40 SER HA H 402 4.281 4.124 0.157 1
1 413 . 3 1 1 A 40 40 SER CA C 402 61.078 61.245 -0.167 1
1 414 . 3 1 1 A 40 40 SER CB C 402 62.829 62.950 -0.121 1
1 415 . 3 1 1 A 40 40 SER N N 402 119.493 118.665 0.828 1
1 416 . 3 1 1 A 41 41 ASP H H 403 8.924 7.837 1.087 1
1 417 . 3 1 1 A 41 41 ASP HA H 403 4.697 4.675 0.022 1
1 420 . 3 1 1 A 41 41 ASP CA C 403 52.287 54.659 -2.372 1
1 421 . 3 1 1 A 41 41 ASP CB C 403 39.077 41.231 -2.154 1
1 422 . 3 1 1 A 41 41 ASP N N 403 116.599 118.352 -1.753 1
1 423 . 3 1 1 A 42 42 TYR H H 404 7.427 7.410 0.017 1
1 424 . 3 1 1 A 42 42 TYR HA H 404 4.452 4.388 0.064 1
1 431 . 3 1 1 A 42 42 TYR CA C 404 59.218 59.877 -0.659 1
1 432 . 3 1 1 A 42 42 TYR CB C 404 39.543 39.155 0.388 1
1 437 . 3 1 1 A 42 42 TYR N N 404 122.560 122.877 -0.317 1
1 438 . 3 1 1 A 43 43 GLY H H 405 7.715 8.360 -0.645 1
1 439 . 3 1 1 A 43 43 GLY HA2 H 405 3.743 4.016 -0.273 1
1 440 . 3 1 1 A 43 43 GLY HA3 H 405 3.704 4.107 -0.403 1
1 441 . 3 1 1 A 43 43 GLY CA C 405 45.100 45.390 -0.290 1
1 442 . 3 1 1 A 43 43 GLY N N 405 114.997 114.030 0.967 1
1 443 . 3 1 1 A 44 44 GLY H H 406 7.088 7.077 0.011 1
1 444 . 3 1 1 A 44 44 GLY HA2 H 406 3.887 3.532 0.355 1
1 445 . 3 1 1 A 44 44 GLY HA3 H 406 3.887 3.575 0.312 1
1 446 . 3 1 1 A 44 44 GLY CA C 406 45.011 46.894 -1.883 1
1 447 . 3 1 1 A 44 44 GLY N N 406 107.744 107.677 0.067 1
1 448 . 3 1 1 A 45 45 VAL H H 407 8.064 7.426 0.638 1
1 449 . 3 1 1 A 45 45 VAL HA H 407 4.147 3.809 0.338 1
1 457 . 3 1 1 A 45 45 VAL CA C 407 62.222 62.590 -0.368 1
1 458 . 3 1 1 A 45 45 VAL CB C 407 32.899 29.622 3.277 1
1 461 . 3 1 1 A 45 45 VAL N N 407 119.029 114.738 4.291 1
1 462 . 3 1 1 A 46 46 GLN H H 408 8.506 8.421 0.085 1
1 463 . 3 1 1 A 46 46 GLN HA H 408 4.433 4.569 -0.136 1
1 470 . 3 1 1 A 46 46 GLN CA C 408 55.631 54.216 1.415 1
1 471 . 3 1 1 A 46 46 GLN CB C 408 29.682 26.911 2.771 1
1 473 . 3 1 1 A 46 46 GLN N N 408 124.737 120.975 3.762 1
1 475 . 3 1 1 A 47 47 ILE H H 409 8.330 7.841 0.489 1
1 476 . 3 1 1 A 47 47 ILE HA H 409 4.237 3.643 0.594 1
1 486 . 3 1 1 A 47 47 ILE CA C 409 60.885 62.252 -1.367 1
1 487 . 3 1 1 A 47 47 ILE CB C 409 38.690 36.316 2.374 1
1 491 . 3 1 1 A 47 47 ILE N N 409 123.582 121.972 1.610 1
1 492 . 3 1 1 A 48 48 VAL H H 410 8.298 8.178 0.120 1
1 493 . 3 1 1 A 48 48 VAL HA H 410 4.183 4.417 -0.234 1
1 501 . 3 1 1 A 48 48 VAL CA C 410 62.351 61.315 1.036 1
1 502 . 3 1 1 A 48 48 VAL CB C 410 32.841 31.430 1.411 1
1 505 . 3 1 1 A 48 48 VAL N N 410 125.073 121.176 3.897 1
1 506 . 3 1 1 A 49 49 GLY H H 411 8.609 7.990 0.619 1
1 507 . 3 1 1 A 49 49 GLY HA2 H 411 4.032 4.064 -0.032 1
1 508 . 3 1 1 A 49 49 GLY HA3 H 411 4.008 4.068 -0.060 1
1 509 . 3 1 1 A 49 49 GLY CA C 411 45.281 46.260 -0.979 1
1 510 . 3 1 1 A 49 49 GLY N N 411 113.133 113.874 -0.741 1
1 511 . 3 1 1 A 50 50 GLN H H 412 8.317 8.391 -0.074 1
1 512 . 3 1 1 A 50 50 GLN HA H 412 4.403 4.075 0.328 1
1 519 . 3 1 1 A 50 50 GLN CA C 412 55.872 58.546 -2.674 1
1 520 . 3 1 1 A 50 50 GLN CB C 412 29.678 28.576 1.102 1
1 522 . 3 1 1 A 50 50 GLN N N 412 119.972 117.980 1.992 1
1 524 . 3 1 1 A 51 51 ASP H H 413 8.533 7.926 0.607 1
1 525 . 3 1 1 A 51 51 ASP HA H 413 4.646 4.875 -0.229 1
1 528 . 3 1 1 A 51 51 ASP CA C 413 54.459 53.935 0.524 1
1 529 . 3 1 1 A 51 51 ASP CB C 413 41.215 41.615 -0.400 1
1 530 . 3 1 1 A 51 51 ASP N N 413 121.378 115.900 5.478 1
1 531 . 3 1 1 A 52 52 GLU H H 414 8.457 7.743 0.714 1
1 532 . 3 1 1 A 52 52 GLU HA H 414 4.392 4.534 -0.142 1
1 537 . 3 1 1 A 52 52 GLU CA C 414 56.700 55.914 0.786 1
1 538 . 3 1 1 A 52 52 GLU CB C 414 30.238 30.475 -0.237 1
1 540 . 3 1 1 A 52 52 GLU N N 414 121.491 120.979 0.512 1
1 541 . 3 1 1 A 53 53 THR H H 415 8.263 7.806 0.457 1
1 542 . 3 1 1 A 53 53 THR HA H 415 4.306 4.630 -0.324 1
1 547 . 3 1 1 A 53 53 THR CA C 415 62.113 59.965 2.148 1
1 548 . 3 1 1 A 53 53 THR CB C 415 69.912 68.598 1.314 1
1 550 . 3 1 1 A 53 53 THR N N 415 114.960 112.571 2.389 1
1 551 . 3 1 1 A 54 54 ASP H H 416 8.279 8.500 -0.221 1
1 552 . 3 1 1 A 54 54 ASP HA H 416 4.661 5.033 -0.372 1
1 555 . 3 1 1 A 54 54 ASP CA C 416 53.775 53.453 0.322 1
1 556 . 3 1 1 A 54 54 ASP CB C 416 41.188 41.321 -0.133 1
1 557 . 3 1 1 A 54 54 ASP N N 416 123.335 122.483 0.852 1
1 1 . 4 1 1 A 2 2 PRO HA H 364 4.519 4.790 -0.271 1
1 8 . 4 1 1 A 2 2 PRO CA C 364 63.238 62.890 0.348 1
1 9 . 4 1 1 A 2 2 PRO CB C 364 32.338 31.692 0.646 1
1 12 . 4 1 1 A 3 3 LEU H H 365 8.557 8.653 -0.096 1
1 13 . 4 1 1 A 3 3 LEU HA H 365 4.406 4.944 -0.538 1
1 23 . 4 1 1 A 3 3 LEU CA C 365 55.436 53.529 1.907 1
1 24 . 4 1 1 A 3 3 LEU CB C 365 42.304 43.864 -1.560 1
1 28 . 4 1 1 A 3 3 LEU N N 365 122.297 123.931 -1.634 1
1 29 . 4 1 1 A 4 4 GLY H H 366 8.443 8.491 -0.048 1
1 30 . 4 1 1 A 4 4 GLY HA2 H 366 4.040 4.493 -0.453 1
1 31 . 4 1 1 A 4 4 GLY HA3 H 366 4.056 4.500 -0.444 1
1 32 . 4 1 1 A 4 4 GLY CA C 366 45.361 44.105 1.256 1
1 33 . 4 1 1 A 4 4 GLY N N 366 110.040 114.551 -4.511 1
1 34 . 4 1 1 A 5 5 SER H H 367 8.374 8.486 -0.112 1
1 35 . 4 1 1 A 5 5 SER HA H 367 4.521 4.589 -0.068 1
1 38 . 4 1 1 A 5 5 SER CA C 367 58.573 60.053 -1.480 1
1 39 . 4 1 1 A 5 5 SER CB C 367 64.058 64.902 -0.844 1
1 40 . 4 1 1 A 5 5 SER N N 367 116.007 114.979 1.028 1
1 41 . 4 1 1 A 6 6 GLY H H 368 8.639 7.933 0.706 1
1 42 . 4 1 1 A 6 6 GLY HA2 H 368 4.095 3.844 0.251 1
1 43 . 4 1 1 A 6 6 GLY HA3 H 368 4.067 3.849 0.218 1
1 44 . 4 1 1 A 6 6 GLY CA C 368 45.494 46.613 -1.119 1
1 45 . 4 1 1 A 6 6 GLY N N 368 111.362 108.504 2.858 1
1 46 . 4 1 1 A 7 7 SER H H 369 8.313 8.695 -0.382 1
1 47 . 4 1 1 A 7 7 SER HA H 369 4.516 5.283 -0.767 1
1 50 . 4 1 1 A 7 7 SER CA C 369 58.583 56.678 1.905 1
1 51 . 4 1 1 A 7 7 SER CB C 369 63.973 65.451 -1.478 1
1 52 . 4 1 1 A 7 7 SER N N 369 115.885 120.336 -4.451 1
1 53 . 4 1 1 A 8 8 GLU H H 370 8.630 8.918 -0.288 1
1 54 . 4 1 1 A 8 8 GLU HA H 370 4.330 4.668 -0.338 1
1 59 . 4 1 1 A 8 8 GLU CA C 370 57.138 55.379 1.759 1
1 60 . 4 1 1 A 8 8 GLU CB C 370 29.984 31.520 -1.536 1
1 62 . 4 1 1 A 8 8 GLU N N 370 122.682 124.719 -2.037 1
1 63 . 4 1 1 A 9 9 GLY H H 371 8.394 8.686 -0.292 1
1 64 . 4 1 1 A 9 9 GLY HA2 H 371 3.976 3.991 -0.015 1
1 65 . 4 1 1 A 9 9 GLY HA3 H 371 3.976 4.015 -0.039 1
1 66 . 4 1 1 A 9 9 GLY CA C 371 45.469 46.437 -0.968 1
1 67 . 4 1 1 A 9 9 GLY N N 371 109.245 110.482 -1.237 1
1 68 . 4 1 1 A 10 10 ASN H H 372 8.283 8.315 -0.032 1
1 69 . 4 1 1 A 10 10 ASN HA H 372 4.732 4.993 -0.261 1
1 74 . 4 1 1 A 10 10 ASN CA C 372 53.263 54.138 -0.875 1
1 75 . 4 1 1 A 10 10 ASN CB C 372 38.961 41.441 -2.480 1
1 76 . 4 1 1 A 10 10 ASN N N 372 118.662 115.842 2.820 1
1 78 . 4 1 1 A 11 11 LYS H H 373 8.264 7.988 0.276 1
1 79 . 4 1 1 A 11 11 LYS HA H 373 4.360 4.479 -0.119 1
1 88 . 4 1 1 A 11 11 LYS CA C 373 56.413 55.146 1.267 1
1 89 . 4 1 1 A 11 11 LYS CB C 373 33.054 32.671 0.383 1
1 93 . 4 1 1 A 11 11 LYS N N 373 121.729 116.959 4.770 1
1 94 . 4 1 1 A 12 12 VAL H H 374 8.114 7.622 0.492 1
1 95 . 4 1 1 A 12 12 VAL HA H 374 4.086 4.909 -0.823 1
1 103 . 4 1 1 A 12 12 VAL CA C 374 62.169 59.417 2.752 1
1 104 . 4 1 1 A 12 12 VAL CB C 374 32.862 35.739 -2.877 1
1 107 . 4 1 1 A 12 12 VAL N N 374 121.704 119.858 1.846 1
1 108 . 4 1 1 A 13 13 LYS H H 375 8.415 8.488 -0.073 1
1 109 . 4 1 1 A 13 13 LYS HA H 375 4.383 4.655 -0.272 1
1 118 . 4 1 1 A 13 13 LYS CA C 375 55.989 55.505 0.484 1
1 119 . 4 1 1 A 13 13 LYS CB C 375 33.159 32.488 0.671 1
1 123 . 4 1 1 A 13 13 LYS N N 375 126.419 124.737 1.682 1
1 124 . 4 1 1 A 14 14 ARG H H 376 8.753 8.333 0.420 1
1 125 . 4 1 1 A 14 14 ARG HA H 376 4.363 4.380 -0.017 1
1 132 . 4 1 1 A 14 14 ARG CA C 376 56.293 56.308 -0.015 1
1 133 . 4 1 1 A 14 14 ARG CB C 376 32.331 31.517 0.814 1
1 136 . 4 1 1 A 14 14 ARG N N 376 123.397 124.758 -1.361 1
1 137 . 4 1 1 A 15 15 THR H H 377 8.081 8.438 -0.357 1
1 138 . 4 1 1 A 15 15 THR HA H 377 4.398 4.574 -0.176 1
1 143 . 4 1 1 A 15 15 THR CA C 377 61.533 61.153 0.380 1
1 144 . 4 1 1 A 15 15 THR CB C 377 70.409 69.855 0.554 1
1 146 . 4 1 1 A 15 15 THR N N 377 117.600 116.880 0.720 1
1 147 . 4 1 1 A 16 16 SER H H 378 8.614 8.724 -0.110 1
1 148 . 4 1 1 A 16 16 SER HA H 378 4.853 4.508 0.345 1
1 151 . 4 1 1 A 16 16 SER CA C 378 59.098 58.288 0.810 1
1 152 . 4 1 1 A 16 16 SER CB C 378 63.763 63.024 0.739 1
1 153 . 4 1 1 A 16 16 SER N N 378 121.120 122.005 -0.885 1
1 154 . 4 1 1 A 17 17 CYS H H 379 9.252 8.820 0.432 1
1 155 . 4 1 1 A 17 17 CYS HA H 379 3.994 4.216 -0.222 1
1 158 . 4 1 1 A 17 17 CYS CA C 379 60.962 59.738 1.224 1
1 159 . 4 1 1 A 17 17 CYS CB C 379 29.581 29.037 0.544 1
1 160 . 4 1 1 A 17 17 CYS N N 379 127.790 125.031 2.759 1
1 161 . 4 1 1 A 18 18 MET H H 380 8.831 8.578 0.253 1
1 162 . 4 1 1 A 18 18 MET HA H 380 4.212 4.064 0.148 1
1 170 . 4 1 1 A 18 18 MET CA C 380 58.209 57.923 0.286 1
1 171 . 4 1 1 A 18 18 MET CB C 380 31.936 31.745 0.191 1
1 174 . 4 1 1 A 18 18 MET N N 380 130.017 125.590 4.427 1
1 175 . 4 1 1 A 19 19 TYR H H 381 8.701 7.802 0.899 1
1 176 . 4 1 1 A 19 19 TYR HA H 381 4.579 4.643 -0.064 1
1 183 . 4 1 1 A 19 19 TYR CA C 381 58.762 58.376 0.386 1
1 184 . 4 1 1 A 19 19 TYR CB C 381 37.595 38.930 -1.335 1
1 189 . 4 1 1 A 19 19 TYR N N 381 120.369 117.155 3.214 1
1 190 . 4 1 1 A 20 20 GLY H H 382 7.760 8.379 -0.619 1
1 191 . 4 1 1 A 20 20 GLY HA2 H 382 3.710 4.003 -0.293 1
1 192 . 4 1 1 A 20 20 GLY HA3 H 382 4.085 4.070 0.015 1
1 193 . 4 1 1 A 20 20 GLY CA C 382 47.627 47.529 0.098 1
1 194 . 4 1 1 A 20 20 GLY N N 382 107.481 108.599 -1.118 1
1 195 . 4 1 1 A 21 21 ALA H H 383 9.248 8.537 0.711 1
1 196 . 4 1 1 A 21 21 ALA HA H 383 4.354 4.441 -0.087 1
1 200 . 4 1 1 A 21 21 ALA CA C 383 53.398 52.207 1.191 1
1 201 . 4 1 1 A 21 21 ALA CB C 383 18.808 19.677 -0.869 1
1 202 . 4 1 1 A 21 21 ALA N N 383 128.449 129.311 -0.862 1
1 203 . 4 1 1 A 22 22 ASN H H 384 8.261 7.935 0.326 1
1 204 . 4 1 1 A 22 22 ASN HA H 384 4.944 5.043 -0.099 1
1 209 . 4 1 1 A 22 22 ASN CA C 384 52.140 52.861 -0.721 1
1 210 . 4 1 1 A 22 22 ASN CB C 384 38.940 39.910 -0.970 1
1 211 . 4 1 1 A 22 22 ASN N N 384 115.516 115.551 -0.035 1
1 213 . 4 1 1 A 23 23 CYS H H 385 7.174 7.596 -0.422 1
1 214 . 4 1 1 A 23 23 CYS HA H 385 3.736 4.035 -0.299 1
1 217 . 4 1 1 A 23 23 CYS CA C 385 61.867 59.970 1.897 1
1 218 . 4 1 1 A 23 23 CYS CB C 385 29.434 28.857 0.577 1
1 219 . 4 1 1 A 23 23 CYS N N 385 121.580 120.497 1.083 1
1 220 . 4 1 1 A 24 24 TYR H H 386 7.680 8.028 -0.348 1
1 221 . 4 1 1 A 24 24 TYR HA H 386 4.858 4.576 0.282 1
1 228 . 4 1 1 A 24 24 TYR CA C 386 56.348 57.792 -1.444 1
1 229 . 4 1 1 A 24 24 TYR CB C 386 38.216 39.583 -1.367 1
1 234 . 4 1 1 A 24 24 TYR N N 386 126.676 123.463 3.213 1
1 235 . 4 1 1 A 25 25 ARG H H 387 7.988 6.303 1.685 1
1 236 . 4 1 1 A 25 25 ARG HA H 387 4.054 4.222 -0.168 1
1 243 . 4 1 1 A 25 25 ARG CA C 387 56.282 55.593 0.689 1
1 244 . 4 1 1 A 25 25 ARG CB C 387 29.894 30.512 -0.618 1
1 247 . 4 1 1 A 25 25 ARG N N 387 123.491 118.433 5.058 1
1 248 . 4 1 1 A 26 26 LYS H H 388 8.951 8.762 0.189 1
1 249 . 4 1 1 A 26 26 LYS HA H 388 4.635 4.632 0.003 1
1 258 . 4 1 1 A 26 26 LYS CA C 388 55.605 54.650 0.955 1
1 259 . 4 1 1 A 26 26 LYS CB C 388 34.387 33.802 0.585 1
1 263 . 4 1 1 A 26 26 LYS N N 388 118.569 119.447 -0.878 1
1 264 . 4 1 1 A 27 27 ASN H H 389 8.400 8.554 -0.154 1
1 265 . 4 1 1 A 27 27 ASN HA H 389 4.950 5.123 -0.173 1
1 270 . 4 1 1 A 27 27 ASN CA C 389 51.827 50.120 1.707 1
1 271 . 4 1 1 A 27 27 ASN CB C 389 39.171 39.013 0.158 1
1 272 . 4 1 1 A 27 27 ASN N N 389 122.702 123.757 -1.055 1
1 274 . 4 1 1 A 28 28 PRO HA H 390 4.595 4.556 0.039 1
1 281 . 4 1 1 A 28 28 PRO CA C 390 65.632 64.641 0.991 1
1 282 . 4 1 1 A 28 28 PRO CB C 390 32.574 32.169 0.405 1
1 285 . 4 1 1 A 29 29 VAL H H 391 8.337 7.608 0.729 1
1 286 . 4 1 1 A 29 29 VAL HA H 391 3.818 4.414 -0.596 1
1 294 . 4 1 1 A 29 29 VAL CA C 391 65.608 64.339 1.269 1
1 295 . 4 1 1 A 29 29 VAL CB C 391 31.546 31.796 -0.250 1
1 298 . 4 1 1 A 29 29 VAL N N 391 117.431 116.302 1.129 1
1 299 . 4 1 1 A 30 30 HIS H H 392 8.037 8.087 -0.050 1
1 300 . 4 1 1 A 30 30 HIS HA H 392 4.565 4.086 0.479 1
1 305 . 4 1 1 A 30 30 HIS CA C 392 60.297 59.220 1.077 1
1 306 . 4 1 1 A 30 30 HIS CB C 392 27.700 29.908 -2.208 1
1 309 . 4 1 1 A 30 30 HIS N N 392 120.267 120.416 -0.149 1
1 310 . 4 1 1 A 31 31 PHE H H 393 7.059 8.110 -1.051 1
1 311 . 4 1 1 A 31 31 PHE HA H 393 4.465 4.437 0.028 1
1 319 . 4 1 1 A 31 31 PHE CA C 393 59.951 61.648 -1.697 1
1 320 . 4 1 1 A 31 31 PHE CB C 393 38.577 38.396 0.181 1
1 326 . 4 1 1 A 31 31 PHE N N 393 114.802 118.008 -3.206 1
1 327 . 4 1 1 A 32 32 GLN H H 394 7.671 8.040 -0.369 1
1 328 . 4 1 1 A 32 32 GLN HA H 394 4.261 4.273 -0.012 1
1 335 . 4 1 1 A 32 32 GLN CA C 394 57.393 58.902 -1.509 1
1 336 . 4 1 1 A 32 32 GLN CB C 394 28.710 28.691 0.019 1
1 338 . 4 1 1 A 32 32 GLN N N 394 117.129 119.169 -2.040 1
1 340 . 4 1 1 A 33 33 HIS H H 395 7.581 7.753 -0.172 1
1 341 . 4 1 1 A 33 33 HIS HA H 395 4.498 4.174 0.324 1
1 346 . 4 1 1 A 33 33 HIS CA C 395 56.467 58.044 -1.577 1
1 347 . 4 1 1 A 33 33 HIS CB C 395 31.398 30.771 0.627 1
1 350 . 4 1 1 A 33 33 HIS N N 395 115.481 115.779 -0.298 1
1 351 . 4 1 1 A 34 34 PHE H H 396 8.044 7.653 0.391 1
1 352 . 4 1 1 A 34 34 PHE HA H 396 5.398 5.144 0.254 1
1 360 . 4 1 1 A 34 34 PHE CA C 396 56.318 56.269 0.049 1
1 361 . 4 1 1 A 34 34 PHE CB C 396 41.617 42.183 -0.566 1
1 367 . 4 1 1 A 34 34 PHE N N 396 117.547 115.849 1.698 1
1 368 . 4 1 1 A 35 35 SER H H 397 8.603 9.385 -0.782 1
1 369 . 4 1 1 A 35 35 SER HA H 397 4.769 4.821 -0.052 1
1 372 . 4 1 1 A 35 35 SER CA C 397 56.350 58.595 -2.245 1
1 373 . 4 1 1 A 35 35 SER CB C 397 65.912 64.174 1.738 1
1 374 . 4 1 1 A 35 35 SER N N 397 114.732 119.371 -4.639 1
1 375 . 4 1 1 A 36 36 HIS H H 398 9.538 8.746 0.792 1
1 376 . 4 1 1 A 36 36 HIS HA H 398 4.572 5.226 -0.654 1
1 381 . 4 1 1 A 36 36 HIS CA C 398 56.432 53.974 2.458 1
1 382 . 4 1 1 A 36 36 HIS CB C 398 29.935 33.202 -3.267 1
1 385 . 4 1 1 A 36 36 HIS N N 398 120.612 119.983 0.629 1
1 386 . 4 1 1 A 37 37 PRO HA H 399 3.457 2.836 0.621 1
1 393 . 4 1 1 A 37 37 PRO CA C 399 64.278 63.123 1.155 1
1 394 . 4 1 1 A 37 37 PRO CB C 399 30.979 30.952 0.027 1
1 397 . 4 1 1 A 38 38 GLY H H 400 8.832 8.559 0.273 1
1 398 . 4 1 1 A 38 38 GLY HA2 H 400 3.593 3.755 -0.162 1
1 399 . 4 1 1 A 38 38 GLY HA3 H 400 4.522 3.755 0.767 1
1 400 . 4 1 1 A 38 38 GLY CA C 400 44.843 45.052 -0.209 1
1 401 . 4 1 1 A 38 38 GLY N N 400 115.162 112.279 2.883 1
1 402 . 4 1 1 A 39 39 ASP H H 401 8.505 7.524 0.981 1
1 403 . 4 1 1 A 39 39 ASP HA H 401 4.938 5.045 -0.107 1
1 406 . 4 1 1 A 39 39 ASP CA C 401 54.320 52.547 1.773 1
1 407 . 4 1 1 A 39 39 ASP CB C 401 41.893 43.725 -1.832 1
1 408 . 4 1 1 A 39 39 ASP N N 401 121.905 120.479 1.426 1
1 409 . 4 1 1 A 40 40 SER H H 402 9.378 9.005 0.373 1
1 410 . 4 1 1 A 40 40 SER HA H 402 4.281 4.130 0.151 1
1 413 . 4 1 1 A 40 40 SER CA C 402 61.078 61.179 -0.101 1
1 414 . 4 1 1 A 40 40 SER CB C 402 62.829 62.773 0.056 1
1 415 . 4 1 1 A 40 40 SER N N 402 119.493 118.242 1.251 1
1 416 . 4 1 1 A 41 41 ASP H H 403 8.924 7.887 1.037 1
1 417 . 4 1 1 A 41 41 ASP HA H 403 4.697 4.583 0.114 1
1 420 . 4 1 1 A 41 41 ASP CA C 403 52.287 55.776 -3.489 1
1 421 . 4 1 1 A 41 41 ASP CB C 403 39.077 41.128 -2.051 1
1 422 . 4 1 1 A 41 41 ASP N N 403 116.599 118.919 -2.320 1
1 423 . 4 1 1 A 42 42 TYR H H 404 7.427 7.488 -0.061 1
1 424 . 4 1 1 A 42 42 TYR HA H 404 4.452 4.281 0.171 1
1 431 . 4 1 1 A 42 42 TYR CA C 404 59.218 59.841 -0.623 1
1 432 . 4 1 1 A 42 42 TYR CB C 404 39.543 38.934 0.609 1
1 437 . 4 1 1 A 42 42 TYR N N 404 122.560 122.420 0.140 1
1 438 . 4 1 1 A 43 43 GLY H H 405 7.715 8.256 -0.541 1
1 439 . 4 1 1 A 43 43 GLY HA2 H 405 3.743 4.010 -0.267 1
1 440 . 4 1 1 A 43 43 GLY HA3 H 405 3.704 4.112 -0.408 1
1 441 . 4 1 1 A 43 43 GLY CA C 405 45.100 45.528 -0.428 1
1 442 . 4 1 1 A 43 43 GLY N N 405 114.997 113.331 1.666 1
1 443 . 4 1 1 A 44 44 GLY H H 406 7.088 8.028 -0.940 1
1 444 . 4 1 1 A 44 44 GLY HA2 H 406 3.887 3.965 -0.078 1
1 445 . 4 1 1 A 44 44 GLY HA3 H 406 3.887 3.986 -0.099 1
1 446 . 4 1 1 A 44 44 GLY CA C 406 45.011 45.955 -0.944 1
1 447 . 4 1 1 A 44 44 GLY N N 406 107.744 108.902 -1.158 1
1 448 . 4 1 1 A 45 45 VAL H H 407 8.064 7.653 0.411 1
1 449 . 4 1 1 A 45 45 VAL HA H 407 4.147 4.256 -0.109 1
1 457 . 4 1 1 A 45 45 VAL CA C 407 62.222 61.164 1.058 1
1 458 . 4 1 1 A 45 45 VAL CB C 407 32.899 30.799 2.100 1
1 461 . 4 1 1 A 45 45 VAL N N 407 119.029 121.060 -2.031 1
1 462 . 4 1 1 A 46 46 GLN H H 408 8.506 7.830 0.676 1
1 463 . 4 1 1 A 46 46 GLN HA H 408 4.433 4.826 -0.393 1
1 470 . 4 1 1 A 46 46 GLN CA C 408 55.631 54.566 1.065 1
1 471 . 4 1 1 A 46 46 GLN CB C 408 29.682 29.922 -0.240 1
1 473 . 4 1 1 A 46 46 GLN N N 408 124.737 125.649 -0.912 1
1 475 . 4 1 1 A 47 47 ILE H H 409 8.330 8.997 -0.667 1
1 476 . 4 1 1 A 47 47 ILE HA H 409 4.237 4.436 -0.199 1
1 486 . 4 1 1 A 47 47 ILE CA C 409 60.885 60.506 0.379 1
1 487 . 4 1 1 A 47 47 ILE CB C 409 38.690 36.535 2.155 1
1 491 . 4 1 1 A 47 47 ILE N N 409 123.582 125.927 -2.345 1
1 492 . 4 1 1 A 48 48 VAL H H 410 8.298 8.580 -0.282 1
1 493 . 4 1 1 A 48 48 VAL HA H 410 4.183 4.346 -0.163 1
1 501 . 4 1 1 A 48 48 VAL CA C 410 62.351 61.136 1.215 1
1 502 . 4 1 1 A 48 48 VAL CB C 410 32.841 31.834 1.007 1
1 505 . 4 1 1 A 48 48 VAL N N 410 125.073 127.692 -2.619 1
1 506 . 4 1 1 A 49 49 GLY H H 411 8.609 7.849 0.760 1
1 507 . 4 1 1 A 49 49 GLY HA2 H 411 4.032 4.024 0.008 1
1 508 . 4 1 1 A 49 49 GLY HA3 H 411 4.008 4.026 -0.018 1
1 509 . 4 1 1 A 49 49 GLY CA C 411 45.281 46.369 -1.088 1
1 510 . 4 1 1 A 49 49 GLY N N 411 113.133 113.131 0.002 1
1 511 . 4 1 1 A 50 50 GLN H H 412 8.317 8.305 0.012 1
1 512 . 4 1 1 A 50 50 GLN HA H 412 4.403 4.073 0.330 1
1 519 . 4 1 1 A 50 50 GLN CA C 412 55.872 58.872 -3.000 1
1 520 . 4 1 1 A 50 50 GLN CB C 412 29.678 28.660 1.018 1
1 522 . 4 1 1 A 50 50 GLN N N 412 119.972 118.578 1.394 1
1 524 . 4 1 1 A 51 51 ASP H H 413 8.533 8.032 0.501 1
1 525 . 4 1 1 A 51 51 ASP HA H 413 4.646 4.848 -0.202 1
1 528 . 4 1 1 A 51 51 ASP CA C 413 54.459 53.193 1.266 1
1 529 . 4 1 1 A 51 51 ASP CB C 413 41.215 41.296 -0.081 1
1 530 . 4 1 1 A 51 51 ASP N N 413 121.378 116.900 4.478 1
1 531 . 4 1 1 A 52 52 GLU H H 414 8.457 8.092 0.365 1
1 532 . 4 1 1 A 52 52 GLU HA H 414 4.392 4.033 0.359 1
1 537 . 4 1 1 A 52 52 GLU CA C 414 56.700 57.426 -0.726 1
1 538 . 4 1 1 A 52 52 GLU CB C 414 30.238 28.280 1.958 1
1 540 . 4 1 1 A 52 52 GLU N N 414 121.491 120.333 1.158 1
1 541 . 4 1 1 A 53 53 THR H H 415 8.263 8.034 0.229 1
1 542 . 4 1 1 A 53 53 THR HA H 415 4.306 4.624 -0.318 1
1 547 . 4 1 1 A 53 53 THR CA C 415 62.113 60.059 2.054 1
1 548 . 4 1 1 A 53 53 THR CB C 415 69.912 68.743 1.169 1
1 550 . 4 1 1 A 53 53 THR N N 415 114.960 109.483 5.477 1
1 551 . 4 1 1 A 54 54 ASP H H 416 8.279 8.714 -0.435 1
1 552 . 4 1 1 A 54 54 ASP HA H 416 4.661 5.127 -0.466 1
1 555 . 4 1 1 A 54 54 ASP CA C 416 53.775 52.710 1.065 1
1 556 . 4 1 1 A 54 54 ASP CB C 416 41.188 41.877 -0.689 1
1 557 . 4 1 1 A 54 54 ASP N N 416 123.335 123.765 -0.430 1
1 1 . 5 1 1 A 2 2 PRO HA H 364 4.519 4.689 -0.170 1
1 8 . 5 1 1 A 2 2 PRO CA C 364 63.238 62.717 0.521 1
1 9 . 5 1 1 A 2 2 PRO CB C 364 32.338 32.078 0.260 1
1 12 . 5 1 1 A 3 3 LEU H H 365 8.557 9.019 -0.462 1
1 13 . 5 1 1 A 3 3 LEU HA H 365 4.406 4.406 0.000 1
1 23 . 5 1 1 A 3 3 LEU CA C 365 55.436 55.798 -0.362 1
1 24 . 5 1 1 A 3 3 LEU CB C 365 42.304 43.010 -0.706 1
1 28 . 5 1 1 A 3 3 LEU N N 365 122.297 121.144 1.153 1
1 29 . 5 1 1 A 4 4 GLY H H 366 8.443 8.139 0.304 1
1 30 . 5 1 1 A 4 4 GLY HA2 H 366 4.040 3.953 0.087 1
1 31 . 5 1 1 A 4 4 GLY HA3 H 366 4.056 3.955 0.101 1
1 32 . 5 1 1 A 4 4 GLY CA C 366 45.361 45.527 -0.166 1
1 33 . 5 1 1 A 4 4 GLY N N 366 110.040 107.698 2.342 1
1 34 . 5 1 1 A 5 5 SER H H 367 8.374 8.153 0.221 1
1 35 . 5 1 1 A 5 5 SER HA H 367 4.521 4.698 -0.177 1
1 38 . 5 1 1 A 5 5 SER CA C 367 58.573 59.398 -0.825 1
1 39 . 5 1 1 A 5 5 SER CB C 367 64.058 65.908 -1.850 1
1 40 . 5 1 1 A 5 5 SER N N 367 116.007 114.504 1.503 1
1 41 . 5 1 1 A 6 6 GLY H H 368 8.639 7.461 1.178 1
1 42 . 5 1 1 A 6 6 GLY HA2 H 368 4.095 4.045 0.050 1
1 43 . 5 1 1 A 6 6 GLY HA3 H 368 4.067 4.065 0.002 1
1 44 . 5 1 1 A 6 6 GLY CA C 368 45.494 44.324 1.170 1
1 45 . 5 1 1 A 6 6 GLY N N 368 111.362 105.387 5.975 1
1 46 . 5 1 1 A 7 7 SER H H 369 8.313 8.343 -0.030 1
1 47 . 5 1 1 A 7 7 SER HA H 369 4.516 5.051 -0.535 1
1 50 . 5 1 1 A 7 7 SER CA C 369 58.583 57.314 1.269 1
1 51 . 5 1 1 A 7 7 SER CB C 369 63.973 64.044 -0.071 1
1 52 . 5 1 1 A 7 7 SER N N 369 115.885 117.051 -1.166 1
1 53 . 5 1 1 A 8 8 GLU H H 370 8.630 8.262 0.368 1
1 54 . 5 1 1 A 8 8 GLU HA H 370 4.330 4.863 -0.533 1
1 59 . 5 1 1 A 8 8 GLU CA C 370 57.138 55.272 1.866 1
1 60 . 5 1 1 A 8 8 GLU CB C 370 29.984 31.270 -1.286 1
1 62 . 5 1 1 A 8 8 GLU N N 370 122.682 120.477 2.205 1
1 63 . 5 1 1 A 9 9 GLY H H 371 8.394 8.654 -0.260 1
1 64 . 5 1 1 A 9 9 GLY HA2 H 371 3.976 4.077 -0.101 1
1 65 . 5 1 1 A 9 9 GLY HA3 H 371 3.976 4.095 -0.119 1
1 66 . 5 1 1 A 9 9 GLY CA C 371 45.469 45.827 -0.358 1
1 67 . 5 1 1 A 9 9 GLY N N 371 109.245 107.608 1.637 1
1 68 . 5 1 1 A 10 10 ASN H H 372 8.283 8.070 0.213 1
1 69 . 5 1 1 A 10 10 ASN HA H 372 4.732 5.001 -0.269 1
1 74 . 5 1 1 A 10 10 ASN CA C 372 53.263 51.927 1.336 1
1 75 . 5 1 1 A 10 10 ASN CB C 372 38.961 38.720 0.241 1
1 76 . 5 1 1 A 10 10 ASN N N 372 118.662 118.874 -0.212 1
1 78 . 5 1 1 A 11 11 LYS H H 373 8.264 8.057 0.207 1
1 79 . 5 1 1 A 11 11 LYS HA H 373 4.360 3.821 0.539 1
1 88 . 5 1 1 A 11 11 LYS CA C 373 56.413 57.285 -0.872 1
1 89 . 5 1 1 A 11 11 LYS CB C 373 33.054 29.851 3.203 1
1 93 . 5 1 1 A 11 11 LYS N N 373 121.729 115.040 6.689 1
1 94 . 5 1 1 A 12 12 VAL H H 374 8.114 7.832 0.282 1
1 95 . 5 1 1 A 12 12 VAL HA H 374 4.086 4.782 -0.696 1
1 103 . 5 1 1 A 12 12 VAL CA C 374 62.169 59.402 2.767 1
1 104 . 5 1 1 A 12 12 VAL CB C 374 32.862 35.894 -3.032 1
1 107 . 5 1 1 A 12 12 VAL N N 374 121.704 118.049 3.655 1
1 108 . 5 1 1 A 13 13 LYS H H 375 8.415 8.332 0.083 1
1 109 . 5 1 1 A 13 13 LYS HA H 375 4.383 4.558 -0.175 1
1 118 . 5 1 1 A 13 13 LYS CA C 375 55.989 55.530 0.459 1
1 119 . 5 1 1 A 13 13 LYS CB C 375 33.159 32.136 1.023 1
1 123 . 5 1 1 A 13 13 LYS N N 375 126.419 125.152 1.267 1
1 124 . 5 1 1 A 14 14 ARG H H 376 8.753 7.980 0.773 1
1 125 . 5 1 1 A 14 14 ARG HA H 376 4.363 4.284 0.079 1
1 132 . 5 1 1 A 14 14 ARG CA C 376 56.293 56.748 -0.455 1
1 133 . 5 1 1 A 14 14 ARG CB C 376 32.331 30.668 1.663 1
1 136 . 5 1 1 A 14 14 ARG N N 376 123.397 124.960 -1.563 1
1 137 . 5 1 1 A 15 15 THR H H 377 8.081 8.276 -0.195 1
1 138 . 5 1 1 A 15 15 THR HA H 377 4.398 4.365 0.033 1
1 143 . 5 1 1 A 15 15 THR CA C 377 61.533 62.748 -1.215 1
1 144 . 5 1 1 A 15 15 THR CB C 377 70.409 69.795 0.614 1
1 146 . 5 1 1 A 15 15 THR N N 377 117.600 117.863 -0.263 1
1 147 . 5 1 1 A 16 16 SER H H 378 8.614 8.549 0.065 1
1 148 . 5 1 1 A 16 16 SER HA H 378 4.853 4.495 0.358 1
1 151 . 5 1 1 A 16 16 SER CA C 378 59.098 58.794 0.304 1
1 152 . 5 1 1 A 16 16 SER CB C 378 63.763 63.721 0.042 1
1 153 . 5 1 1 A 16 16 SER N N 378 121.120 120.844 0.276 1
1 154 . 5 1 1 A 17 17 CYS H H 379 9.252 8.365 0.887 1
1 155 . 5 1 1 A 17 17 CYS HA H 379 3.994 4.731 -0.737 1
1 158 . 5 1 1 A 17 17 CYS CA C 379 60.962 58.791 2.171 1
1 159 . 5 1 1 A 17 17 CYS CB C 379 29.581 28.612 0.969 1
1 160 . 5 1 1 A 17 17 CYS N N 379 127.790 124.150 3.640 1
1 161 . 5 1 1 A 18 18 MET H H 380 8.831 8.688 0.143 1
1 162 . 5 1 1 A 18 18 MET HA H 380 4.212 4.106 0.106 1
1 170 . 5 1 1 A 18 18 MET CA C 380 58.209 58.565 -0.356 1
1 171 . 5 1 1 A 18 18 MET CB C 380 31.936 32.065 -0.129 1
1 174 . 5 1 1 A 18 18 MET N N 380 130.017 125.136 4.881 1
1 175 . 5 1 1 A 19 19 TYR H H 381 8.701 7.810 0.891 1
1 176 . 5 1 1 A 19 19 TYR HA H 381 4.579 4.814 -0.235 1
1 183 . 5 1 1 A 19 19 TYR CA C 381 58.762 58.384 0.378 1
1 184 . 5 1 1 A 19 19 TYR CB C 381 37.595 38.829 -1.234 1
1 189 . 5 1 1 A 19 19 TYR N N 381 120.369 117.608 2.761 1
1 190 . 5 1 1 A 20 20 GLY H H 382 7.760 8.277 -0.517 1
1 191 . 5 1 1 A 20 20 GLY HA2 H 382 3.710 4.008 -0.298 1
1 192 . 5 1 1 A 20 20 GLY HA3 H 382 4.085 4.048 0.037 1
1 193 . 5 1 1 A 20 20 GLY CA C 382 47.627 47.498 0.129 1
1 194 . 5 1 1 A 20 20 GLY N N 382 107.481 108.696 -1.215 1
1 195 . 5 1 1 A 21 21 ALA H H 383 9.248 8.538 0.710 1
1 196 . 5 1 1 A 21 21 ALA HA H 383 4.354 4.378 -0.024 1
1 200 . 5 1 1 A 21 21 ALA CA C 383 53.398 52.439 0.959 1
1 201 . 5 1 1 A 21 21 ALA CB C 383 18.808 19.720 -0.912 1
1 202 . 5 1 1 A 21 21 ALA N N 383 128.449 128.953 -0.504 1
1 203 . 5 1 1 A 22 22 ASN H H 384 8.261 8.148 0.113 1
1 204 . 5 1 1 A 22 22 ASN HA H 384 4.944 5.057 -0.113 1
1 209 . 5 1 1 A 22 22 ASN CA C 384 52.140 52.835 -0.695 1
1 210 . 5 1 1 A 22 22 ASN CB C 384 38.940 39.968 -1.028 1
1 211 . 5 1 1 A 22 22 ASN N N 384 115.516 115.295 0.221 1
1 213 . 5 1 1 A 23 23 CYS H H 385 7.174 7.550 -0.376 1
1 214 . 5 1 1 A 23 23 CYS HA H 385 3.736 4.025 -0.289 1
1 217 . 5 1 1 A 23 23 CYS CA C 385 61.867 58.531 3.336 1
1 218 . 5 1 1 A 23 23 CYS CB C 385 29.434 27.208 2.226 1
1 219 . 5 1 1 A 23 23 CYS N N 385 121.580 120.973 0.607 1
1 220 . 5 1 1 A 24 24 TYR H H 386 7.680 7.762 -0.082 1
1 221 . 5 1 1 A 24 24 TYR HA H 386 4.858 4.005 0.853 1
1 228 . 5 1 1 A 24 24 TYR CA C 386 56.348 60.778 -4.430 1
1 229 . 5 1 1 A 24 24 TYR CB C 386 38.216 37.448 0.768 1
1 234 . 5 1 1 A 24 24 TYR N N 386 126.676 125.866 0.810 1
1 235 . 5 1 1 A 25 25 ARG H H 387 7.988 6.139 1.849 1
1 236 . 5 1 1 A 25 25 ARG HA H 387 4.054 4.139 -0.085 1
1 243 . 5 1 1 A 25 25 ARG CA C 387 56.282 55.554 0.728 1
1 244 . 5 1 1 A 25 25 ARG CB C 387 29.894 30.694 -0.800 1
1 247 . 5 1 1 A 25 25 ARG N N 387 123.491 118.780 4.711 1
1 248 . 5 1 1 A 26 26 LYS H H 388 8.951 8.765 0.186 1
1 249 . 5 1 1 A 26 26 LYS HA H 388 4.635 4.722 -0.087 1
1 258 . 5 1 1 A 26 26 LYS CA C 388 55.605 54.550 1.055 1
1 259 . 5 1 1 A 26 26 LYS CB C 388 34.387 32.721 1.666 1
1 263 . 5 1 1 A 26 26 LYS N N 388 118.569 117.835 0.734 1
1 264 . 5 1 1 A 27 27 ASN H H 389 8.400 8.152 0.248 1
1 265 . 5 1 1 A 27 27 ASN HA H 389 4.950 5.218 -0.268 1
1 270 . 5 1 1 A 27 27 ASN CA C 389 51.827 49.873 1.954 1
1 271 . 5 1 1 A 27 27 ASN CB C 389 39.171 39.282 -0.111 1
1 272 . 5 1 1 A 27 27 ASN N N 389 122.702 123.621 -0.919 1
1 274 . 5 1 1 A 28 28 PRO HA H 390 4.595 4.680 -0.085 1
1 281 . 5 1 1 A 28 28 PRO CA C 390 65.632 66.427 -0.795 1
1 282 . 5 1 1 A 28 28 PRO CB C 390 32.574 31.476 1.098 1
1 285 . 5 1 1 A 29 29 VAL H H 391 8.337 7.886 0.451 1
1 286 . 5 1 1 A 29 29 VAL HA H 391 3.818 4.178 -0.360 1
1 294 . 5 1 1 A 29 29 VAL CA C 391 65.608 65.584 0.024 1
1 295 . 5 1 1 A 29 29 VAL CB C 391 31.546 31.616 -0.070 1
1 298 . 5 1 1 A 29 29 VAL N N 391 117.431 115.788 1.643 1
1 299 . 5 1 1 A 30 30 HIS H H 392 8.037 8.087 -0.050 1
1 300 . 5 1 1 A 30 30 HIS HA H 392 4.565 4.072 0.493 1
1 305 . 5 1 1 A 30 30 HIS CA C 392 60.297 58.968 1.329 1
1 306 . 5 1 1 A 30 30 HIS CB C 392 27.700 29.441 -1.741 1
1 309 . 5 1 1 A 30 30 HIS N N 392 120.267 119.273 0.994 1
1 310 . 5 1 1 A 31 31 PHE H H 393 7.059 8.482 -1.423 1
1 311 . 5 1 1 A 31 31 PHE HA H 393 4.465 4.397 0.068 1
1 319 . 5 1 1 A 31 31 PHE CA C 393 59.951 61.723 -1.772 1
1 320 . 5 1 1 A 31 31 PHE CB C 393 38.577 38.240 0.337 1
1 326 . 5 1 1 A 31 31 PHE N N 393 114.802 117.813 -3.011 1
1 327 . 5 1 1 A 32 32 GLN H H 394 7.671 7.913 -0.242 1
1 328 . 5 1 1 A 32 32 GLN HA H 394 4.261 4.317 -0.056 1
1 335 . 5 1 1 A 32 32 GLN CA C 394 57.393 58.700 -1.307 1
1 336 . 5 1 1 A 32 32 GLN CB C 394 28.710 28.451 0.259 1
1 338 . 5 1 1 A 32 32 GLN N N 394 117.129 119.432 -2.303 1
1 340 . 5 1 1 A 33 33 HIS H H 395 7.581 7.757 -0.176 1
1 341 . 5 1 1 A 33 33 HIS HA H 395 4.498 4.185 0.313 1
1 346 . 5 1 1 A 33 33 HIS CA C 395 56.467 58.299 -1.832 1
1 347 . 5 1 1 A 33 33 HIS CB C 395 31.398 30.958 0.440 1
1 350 . 5 1 1 A 33 33 HIS N N 395 115.481 115.106 0.375 1
1 351 . 5 1 1 A 34 34 PHE H H 396 8.044 7.787 0.257 1
1 352 . 5 1 1 A 34 34 PHE HA H 396 5.398 5.160 0.238 1
1 360 . 5 1 1 A 34 34 PHE CA C 396 56.318 56.121 0.197 1
1 361 . 5 1 1 A 34 34 PHE CB C 396 41.617 42.554 -0.937 1
1 367 . 5 1 1 A 34 34 PHE N N 396 117.547 115.701 1.846 1
1 368 . 5 1 1 A 35 35 SER H H 397 8.603 9.750 -1.147 1
1 369 . 5 1 1 A 35 35 SER HA H 397 4.769 5.227 -0.458 1
1 372 . 5 1 1 A 35 35 SER CA C 397 56.350 57.529 -1.179 1
1 373 . 5 1 1 A 35 35 SER CB C 397 65.912 65.379 0.533 1
1 374 . 5 1 1 A 35 35 SER N N 397 114.732 118.453 -3.721 1
1 375 . 5 1 1 A 36 36 HIS H H 398 9.538 8.967 0.571 1
1 376 . 5 1 1 A 36 36 HIS HA H 398 4.572 5.125 -0.553 1
1 381 . 5 1 1 A 36 36 HIS CA C 398 56.432 53.864 2.568 1
1 382 . 5 1 1 A 36 36 HIS CB C 398 29.935 33.114 -3.179 1
1 385 . 5 1 1 A 36 36 HIS N N 398 120.612 119.653 0.959 1
1 386 . 5 1 1 A 37 37 PRO HA H 399 3.457 2.996 0.461 1
1 393 . 5 1 1 A 37 37 PRO CA C 399 64.278 63.032 1.246 1
1 394 . 5 1 1 A 37 37 PRO CB C 399 30.979 30.934 0.045 1
1 397 . 5 1 1 A 38 38 GLY H H 400 8.832 8.656 0.176 1
1 398 . 5 1 1 A 38 38 GLY HA2 H 400 3.593 3.779 -0.186 1
1 399 . 5 1 1 A 38 38 GLY HA3 H 400 4.522 3.793 0.729 1
1 400 . 5 1 1 A 38 38 GLY CA C 400 44.843 45.091 -0.248 1
1 401 . 5 1 1 A 38 38 GLY N N 400 115.162 112.337 2.825 1
1 402 . 5 1 1 A 39 39 ASP H H 401 8.505 7.524 0.981 1
1 403 . 5 1 1 A 39 39 ASP HA H 401 4.938 4.843 0.095 1
1 406 . 5 1 1 A 39 39 ASP CA C 401 54.320 53.358 0.962 1
1 407 . 5 1 1 A 39 39 ASP CB C 401 41.893 42.718 -0.825 1
1 408 . 5 1 1 A 39 39 ASP N N 401 121.905 121.250 0.655 1
1 409 . 5 1 1 A 40 40 SER H H 402 9.378 9.092 0.286 1
1 410 . 5 1 1 A 40 40 SER HA H 402 4.281 4.164 0.117 1
1 413 . 5 1 1 A 40 40 SER CA C 402 61.078 61.160 -0.082 1
1 414 . 5 1 1 A 40 40 SER CB C 402 62.829 62.726 0.103 1
1 415 . 5 1 1 A 40 40 SER N N 402 119.493 118.543 0.950 1
1 416 . 5 1 1 A 41 41 ASP H H 403 8.924 8.008 0.916 1
1 417 . 5 1 1 A 41 41 ASP HA H 403 4.697 4.705 -0.008 1
1 420 . 5 1 1 A 41 41 ASP CA C 403 52.287 54.044 -1.757 1
1 421 . 5 1 1 A 41 41 ASP CB C 403 39.077 41.619 -2.542 1
1 422 . 5 1 1 A 41 41 ASP N N 403 116.599 118.974 -2.375 1
1 423 . 5 1 1 A 42 42 TYR H H 404 7.427 7.856 -0.429 1
1 424 . 5 1 1 A 42 42 TYR HA H 404 4.452 4.341 0.111 1
1 431 . 5 1 1 A 42 42 TYR CA C 404 59.218 59.861 -0.643 1
1 432 . 5 1 1 A 42 42 TYR CB C 404 39.543 39.106 0.437 1
1 437 . 5 1 1 A 42 42 TYR N N 404 122.560 123.127 -0.567 1
1 438 . 5 1 1 A 43 43 GLY H H 405 7.715 8.068 -0.353 1
1 439 . 5 1 1 A 43 43 GLY HA2 H 405 3.743 3.872 -0.129 1
1 440 . 5 1 1 A 43 43 GLY HA3 H 405 3.704 3.986 -0.282 1
1 441 . 5 1 1 A 43 43 GLY CA C 405 45.100 45.455 -0.355 1
1 442 . 5 1 1 A 43 43 GLY N N 405 114.997 112.150 2.847 1
1 443 . 5 1 1 A 44 44 GLY H H 406 7.088 6.665 0.423 1
1 444 . 5 1 1 A 44 44 GLY HA2 H 406 3.887 3.984 -0.097 1
1 445 . 5 1 1 A 44 44 GLY HA3 H 406 3.887 3.987 -0.100 1
1 446 . 5 1 1 A 44 44 GLY CA C 406 45.011 45.526 -0.515 1
1 447 . 5 1 1 A 44 44 GLY N N 406 107.744 106.936 0.808 1
1 448 . 5 1 1 A 45 45 VAL H H 407 8.064 8.780 -0.716 1
1 449 . 5 1 1 A 45 45 VAL HA H 407 4.147 4.852 -0.705 1
1 457 . 5 1 1 A 45 45 VAL CA C 407 62.222 61.998 0.224 1
1 458 . 5 1 1 A 45 45 VAL CB C 407 32.899 30.194 2.705 1
1 461 . 5 1 1 A 45 45 VAL N N 407 119.029 124.500 -5.471 1
1 462 . 5 1 1 A 46 46 GLN H H 408 8.506 8.796 -0.290 1
1 463 . 5 1 1 A 46 46 GLN HA H 408 4.433 4.812 -0.379 1
1 470 . 5 1 1 A 46 46 GLN CA C 408 55.631 54.490 1.141 1
1 471 . 5 1 1 A 46 46 GLN CB C 408 29.682 29.239 0.443 1
1 473 . 5 1 1 A 46 46 GLN N N 408 124.737 125.957 -1.220 1
1 475 . 5 1 1 A 47 47 ILE H H 409 8.330 9.015 -0.685 1
1 476 . 5 1 1 A 47 47 ILE HA H 409 4.237 4.577 -0.340 1
1 486 . 5 1 1 A 47 47 ILE CA C 409 60.885 60.560 0.325 1
1 487 . 5 1 1 A 47 47 ILE CB C 409 38.690 38.289 0.401 1
1 491 . 5 1 1 A 47 47 ILE N N 409 123.582 126.503 -2.921 1
1 492 . 5 1 1 A 48 48 VAL H H 410 8.298 8.684 -0.386 1
1 493 . 5 1 1 A 48 48 VAL HA H 410 4.183 4.475 -0.292 1
1 501 . 5 1 1 A 48 48 VAL CA C 410 62.351 61.188 1.163 1
1 502 . 5 1 1 A 48 48 VAL CB C 410 32.841 31.596 1.245 1
1 505 . 5 1 1 A 48 48 VAL N N 410 125.073 127.602 -2.529 1
1 506 . 5 1 1 A 49 49 GLY H H 411 8.609 8.735 -0.126 1
1 507 . 5 1 1 A 49 49 GLY HA2 H 411 4.032 3.977 0.055 1
1 508 . 5 1 1 A 49 49 GLY HA3 H 411 4.008 3.985 0.023 1
1 509 . 5 1 1 A 49 49 GLY CA C 411 45.281 46.495 -1.214 1
1 510 . 5 1 1 A 49 49 GLY N N 411 113.133 116.511 -3.378 1
1 511 . 5 1 1 A 50 50 GLN H H 412 8.317 8.280 0.037 1
1 512 . 5 1 1 A 50 50 GLN HA H 412 4.403 4.033 0.370 1
1 519 . 5 1 1 A 50 50 GLN CA C 412 55.872 58.540 -2.668 1
1 520 . 5 1 1 A 50 50 GLN CB C 412 29.678 28.729 0.949 1
1 522 . 5 1 1 A 50 50 GLN N N 412 119.972 117.993 1.979 1
1 524 . 5 1 1 A 51 51 ASP H H 413 8.533 7.881 0.652 1
1 525 . 5 1 1 A 51 51 ASP HA H 413 4.646 4.894 -0.248 1
1 528 . 5 1 1 A 51 51 ASP CA C 413 54.459 53.989 0.470 1
1 529 . 5 1 1 A 51 51 ASP CB C 413 41.215 41.400 -0.185 1
1 530 . 5 1 1 A 51 51 ASP N N 413 121.378 116.616 4.762 1
1 531 . 5 1 1 A 52 52 GLU H H 414 8.457 7.646 0.811 1
1 532 . 5 1 1 A 52 52 GLU HA H 414 4.392 4.611 -0.219 1
1 537 . 5 1 1 A 52 52 GLU CA C 414 56.700 55.409 1.291 1
1 538 . 5 1 1 A 52 52 GLU CB C 414 30.238 29.897 0.341 1
1 540 . 5 1 1 A 52 52 GLU N N 414 121.491 121.091 0.400 1
1 541 . 5 1 1 A 53 53 THR H H 415 8.263 8.036 0.227 1
1 542 . 5 1 1 A 53 53 THR HA H 415 4.306 4.575 -0.269 1
1 547 . 5 1 1 A 53 53 THR CA C 415 62.113 60.077 2.036 1
1 548 . 5 1 1 A 53 53 THR CB C 415 69.912 68.645 1.267 1
1 550 . 5 1 1 A 53 53 THR N N 415 114.960 114.185 0.775 1
1 551 . 5 1 1 A 54 54 ASP H H 416 8.279 8.509 -0.230 1
1 552 . 5 1 1 A 54 54 ASP HA H 416 4.661 4.994 -0.333 1
1 555 . 5 1 1 A 54 54 ASP CA C 416 53.775 53.334 0.441 1
1 556 . 5 1 1 A 54 54 ASP CB C 416 41.188 41.213 -0.025 1
1 557 . 5 1 1 A 54 54 ASP N N 416 123.335 122.943 0.392 1
1 1 . 6 1 1 A 2 2 PRO HA H 364 4.519 4.556 -0.037 1
1 8 . 6 1 1 A 2 2 PRO CA C 364 63.238 62.438 0.800 1
1 9 . 6 1 1 A 2 2 PRO CB C 364 32.338 33.213 -0.875 1
1 12 . 6 1 1 A 3 3 LEU H H 365 8.557 8.634 -0.077 1
1 13 . 6 1 1 A 3 3 LEU HA H 365 4.406 4.705 -0.299 1
1 23 . 6 1 1 A 3 3 LEU CA C 365 55.436 53.951 1.485 1
1 24 . 6 1 1 A 3 3 LEU CB C 365 42.304 42.255 0.049 1
1 28 . 6 1 1 A 3 3 LEU N N 365 122.297 121.900 0.397 1
1 29 . 6 1 1 A 4 4 GLY H H 366 8.443 8.292 0.151 1
1 30 . 6 1 1 A 4 4 GLY HA2 H 366 4.040 4.166 -0.126 1
1 31 . 6 1 1 A 4 4 GLY HA3 H 366 4.056 4.167 -0.111 1
1 32 . 6 1 1 A 4 4 GLY CA C 366 45.361 44.125 1.236 1
1 33 . 6 1 1 A 4 4 GLY N N 366 110.040 114.512 -4.472 1
1 34 . 6 1 1 A 5 5 SER H H 367 8.374 8.539 -0.165 1
1 35 . 6 1 1 A 5 5 SER HA H 367 4.521 5.318 -0.797 1
1 38 . 6 1 1 A 5 5 SER CA C 367 58.573 56.449 2.124 1
1 39 . 6 1 1 A 5 5 SER CB C 367 64.058 65.497 -1.439 1
1 40 . 6 1 1 A 5 5 SER N N 367 116.007 114.849 1.158 1
1 41 . 6 1 1 A 6 6 GLY H H 368 8.639 8.673 -0.034 1
1 42 . 6 1 1 A 6 6 GLY HA2 H 368 4.095 4.564 -0.469 1
1 43 . 6 1 1 A 6 6 GLY HA3 H 368 4.067 4.680 -0.613 1
1 44 . 6 1 1 A 6 6 GLY CA C 368 45.494 45.056 0.438 1
1 45 . 6 1 1 A 6 6 GLY N N 368 111.362 114.072 -2.710 1
1 46 . 6 1 1 A 7 7 SER H H 369 8.313 8.987 -0.674 1
1 47 . 6 1 1 A 7 7 SER HA H 369 4.516 4.573 -0.057 1
1 50 . 6 1 1 A 7 7 SER CA C 369 58.583 59.251 -0.668 1
1 51 . 6 1 1 A 7 7 SER CB C 369 63.973 64.872 -0.899 1
1 52 . 6 1 1 A 7 7 SER N N 369 115.885 115.047 0.838 1
1 53 . 6 1 1 A 8 8 GLU H H 370 8.630 7.877 0.753 1
1 54 . 6 1 1 A 8 8 GLU HA H 370 4.330 4.570 -0.240 1
1 59 . 6 1 1 A 8 8 GLU CA C 370 57.138 55.331 1.807 1
1 60 . 6 1 1 A 8 8 GLU CB C 370 29.984 30.436 -0.452 1
1 62 . 6 1 1 A 8 8 GLU N N 370 122.682 119.238 3.444 1
1 63 . 6 1 1 A 9 9 GLY H H 371 8.394 8.779 -0.385 1
1 64 . 6 1 1 A 9 9 GLY HA2 H 371 3.976 4.236 -0.260 1
1 65 . 6 1 1 A 9 9 GLY HA3 H 371 3.976 4.238 -0.262 1
1 66 . 6 1 1 A 9 9 GLY CA C 371 45.469 45.828 -0.359 1
1 67 . 6 1 1 A 9 9 GLY N N 371 109.245 112.229 -2.984 1
1 68 . 6 1 1 A 10 10 ASN H H 372 8.283 7.925 0.358 1
1 69 . 6 1 1 A 10 10 ASN HA H 372 4.732 5.005 -0.273 1
1 74 . 6 1 1 A 10 10 ASN CA C 372 53.263 54.029 -0.766 1
1 75 . 6 1 1 A 10 10 ASN CB C 372 38.961 41.328 -2.367 1
1 76 . 6 1 1 A 10 10 ASN N N 372 118.662 116.600 2.062 1
1 78 . 6 1 1 A 11 11 LYS H H 373 8.264 7.978 0.286 1
1 79 . 6 1 1 A 11 11 LYS HA H 373 4.360 4.569 -0.209 1
1 88 . 6 1 1 A 11 11 LYS CA C 373 56.413 55.813 0.600 1
1 89 . 6 1 1 A 11 11 LYS CB C 373 33.054 32.554 0.500 1
1 93 . 6 1 1 A 11 11 LYS N N 373 121.729 117.703 4.026 1
1 94 . 6 1 1 A 12 12 VAL H H 374 8.114 8.495 -0.381 1
1 95 . 6 1 1 A 12 12 VAL HA H 374 4.086 4.702 -0.616 1
1 103 . 6 1 1 A 12 12 VAL CA C 374 62.169 60.160 2.009 1
1 104 . 6 1 1 A 12 12 VAL CB C 374 32.862 36.077 -3.215 1
1 107 . 6 1 1 A 12 12 VAL N N 374 121.704 123.645 -1.941 1
1 108 . 6 1 1 A 13 13 LYS H H 375 8.415 8.508 -0.093 1
1 109 . 6 1 1 A 13 13 LYS HA H 375 4.383 4.568 -0.185 1
1 118 . 6 1 1 A 13 13 LYS CA C 375 55.989 55.546 0.443 1
1 119 . 6 1 1 A 13 13 LYS CB C 375 33.159 32.479 0.680 1
1 123 . 6 1 1 A 13 13 LYS N N 375 126.419 124.386 2.033 1
1 124 . 6 1 1 A 14 14 ARG H H 376 8.753 7.846 0.907 1
1 125 . 6 1 1 A 14 14 ARG HA H 376 4.363 4.369 -0.006 1
1 132 . 6 1 1 A 14 14 ARG CA C 376 56.293 56.873 -0.580 1
1 133 . 6 1 1 A 14 14 ARG CB C 376 32.331 30.968 1.363 1
1 136 . 6 1 1 A 14 14 ARG N N 376 123.397 124.854 -1.457 1
1 137 . 6 1 1 A 15 15 THR H H 377 8.081 8.416 -0.335 1
1 138 . 6 1 1 A 15 15 THR HA H 377 4.398 4.258 0.140 1
1 143 . 6 1 1 A 15 15 THR CA C 377 61.533 62.621 -1.088 1
1 144 . 6 1 1 A 15 15 THR CB C 377 70.409 69.346 1.063 1
1 146 . 6 1 1 A 15 15 THR N N 377 117.600 117.245 0.355 1
1 147 . 6 1 1 A 16 16 SER H H 378 8.614 8.438 0.176 1
1 148 . 6 1 1 A 16 16 SER HA H 378 4.853 4.372 0.481 1
1 151 . 6 1 1 A 16 16 SER CA C 378 59.098 58.379 0.719 1
1 152 . 6 1 1 A 16 16 SER CB C 378 63.763 64.162 -0.399 1
1 153 . 6 1 1 A 16 16 SER N N 378 121.120 121.067 0.053 1
1 154 . 6 1 1 A 17 17 CYS H H 379 9.252 8.354 0.898 1
1 155 . 6 1 1 A 17 17 CYS HA H 379 3.994 4.746 -0.752 1
1 158 . 6 1 1 A 17 17 CYS CA C 379 60.962 59.271 1.691 1
1 159 . 6 1 1 A 17 17 CYS CB C 379 29.581 28.318 1.263 1
1 160 . 6 1 1 A 17 17 CYS N N 379 127.790 123.091 4.699 1
1 161 . 6 1 1 A 18 18 MET H H 380 8.831 8.809 0.022 1
1 162 . 6 1 1 A 18 18 MET HA H 380 4.212 4.194 0.018 1
1 170 . 6 1 1 A 18 18 MET CA C 380 58.209 58.105 0.104 1
1 171 . 6 1 1 A 18 18 MET CB C 380 31.936 31.721 0.215 1
1 174 . 6 1 1 A 18 18 MET N N 380 130.017 125.757 4.260 1
1 175 . 6 1 1 A 19 19 TYR H H 381 8.701 7.882 0.819 1
1 176 . 6 1 1 A 19 19 TYR HA H 381 4.579 4.647 -0.068 1
1 183 . 6 1 1 A 19 19 TYR CA C 381 58.762 58.416 0.346 1
1 184 . 6 1 1 A 19 19 TYR CB C 381 37.595 38.727 -1.132 1
1 189 . 6 1 1 A 19 19 TYR N N 381 120.369 117.256 3.113 1
1 190 . 6 1 1 A 20 20 GLY H H 382 7.760 8.366 -0.606 1
1 191 . 6 1 1 A 20 20 GLY HA2 H 382 3.710 4.027 -0.317 1
1 192 . 6 1 1 A 20 20 GLY HA3 H 382 4.085 4.118 -0.033 1
1 193 . 6 1 1 A 20 20 GLY CA C 382 47.627 47.535 0.092 1
1 194 . 6 1 1 A 20 20 GLY N N 382 107.481 108.620 -1.139 1
1 195 . 6 1 1 A 21 21 ALA H H 383 9.248 8.474 0.774 1
1 196 . 6 1 1 A 21 21 ALA HA H 383 4.354 4.401 -0.047 1
1 200 . 6 1 1 A 21 21 ALA CA C 383 53.398 52.322 1.076 1
1 201 . 6 1 1 A 21 21 ALA CB C 383 18.808 19.803 -0.995 1
1 202 . 6 1 1 A 21 21 ALA N N 383 128.449 129.270 -0.821 1
1 203 . 6 1 1 A 22 22 ASN H H 384 8.261 8.014 0.247 1
1 204 . 6 1 1 A 22 22 ASN HA H 384 4.944 5.033 -0.089 1
1 209 . 6 1 1 A 22 22 ASN CA C 384 52.140 53.094 -0.954 1
1 210 . 6 1 1 A 22 22 ASN CB C 384 38.940 39.847 -0.907 1
1 211 . 6 1 1 A 22 22 ASN N N 384 115.516 115.292 0.224 1
1 213 . 6 1 1 A 23 23 CYS H H 385 7.174 7.674 -0.500 1
1 214 . 6 1 1 A 23 23 CYS HA H 385 3.736 3.908 -0.172 1
1 217 . 6 1 1 A 23 23 CYS CA C 385 61.867 59.958 1.909 1
1 218 . 6 1 1 A 23 23 CYS CB C 385 29.434 28.144 1.290 1
1 219 . 6 1 1 A 23 23 CYS N N 385 121.580 120.442 1.138 1
1 220 . 6 1 1 A 24 24 TYR H H 386 7.680 7.940 -0.260 1
1 221 . 6 1 1 A 24 24 TYR HA H 386 4.858 4.581 0.277 1
1 228 . 6 1 1 A 24 24 TYR CA C 386 56.348 57.749 -1.401 1
1 229 . 6 1 1 A 24 24 TYR CB C 386 38.216 39.654 -1.438 1
1 234 . 6 1 1 A 24 24 TYR N N 386 126.676 123.633 3.043 1
1 235 . 6 1 1 A 25 25 ARG H H 387 7.988 6.064 1.924 1
1 236 . 6 1 1 A 25 25 ARG HA H 387 4.054 4.082 -0.028 1
1 243 . 6 1 1 A 25 25 ARG CA C 387 56.282 55.856 0.426 1
1 244 . 6 1 1 A 25 25 ARG CB C 387 29.894 30.139 -0.245 1
1 247 . 6 1 1 A 25 25 ARG N N 387 123.491 119.652 3.839 1
1 248 . 6 1 1 A 26 26 LYS H H 388 8.951 8.686 0.265 1
1 249 . 6 1 1 A 26 26 LYS HA H 388 4.635 4.666 -0.031 1
1 258 . 6 1 1 A 26 26 LYS CA C 388 55.605 55.238 0.367 1
1 259 . 6 1 1 A 26 26 LYS CB C 388 34.387 32.546 1.841 1
1 263 . 6 1 1 A 26 26 LYS N N 388 118.569 117.496 1.073 1
1 264 . 6 1 1 A 27 27 ASN H H 389 8.400 7.660 0.740 1
1 265 . 6 1 1 A 27 27 ASN HA H 389 4.950 5.077 -0.127 1
1 270 . 6 1 1 A 27 27 ASN CA C 389 51.827 50.215 1.612 1
1 271 . 6 1 1 A 27 27 ASN CB C 389 39.171 39.516 -0.345 1
1 272 . 6 1 1 A 27 27 ASN N N 389 122.702 118.374 4.328 1
1 274 . 6 1 1 A 28 28 PRO HA H 390 4.595 4.479 0.116 1
1 281 . 6 1 1 A 28 28 PRO CA C 390 65.632 66.368 -0.736 1
1 282 . 6 1 1 A 28 28 PRO CB C 390 32.574 31.509 1.065 1
1 285 . 6 1 1 A 29 29 VAL H H 391 8.337 7.966 0.371 1
1 286 . 6 1 1 A 29 29 VAL HA H 391 3.818 4.117 -0.299 1
1 294 . 6 1 1 A 29 29 VAL CA C 391 65.608 65.716 -0.108 1
1 295 . 6 1 1 A 29 29 VAL CB C 391 31.546 31.584 -0.038 1
1 298 . 6 1 1 A 29 29 VAL N N 391 117.431 115.731 1.700 1
1 299 . 6 1 1 A 30 30 HIS H H 392 8.037 8.182 -0.145 1
1 300 . 6 1 1 A 30 30 HIS HA H 392 4.565 4.251 0.314 1
1 305 . 6 1 1 A 30 30 HIS CA C 392 60.297 59.286 1.011 1
1 306 . 6 1 1 A 30 30 HIS CB C 392 27.700 29.768 -2.068 1
1 309 . 6 1 1 A 30 30 HIS N N 392 120.267 119.708 0.559 1
1 310 . 6 1 1 A 31 31 PHE H H 393 7.059 8.910 -1.851 1
1 311 . 6 1 1 A 31 31 PHE HA H 393 4.465 4.369 0.096 1
1 319 . 6 1 1 A 31 31 PHE CA C 393 59.951 61.768 -1.817 1
1 320 . 6 1 1 A 31 31 PHE CB C 393 38.577 38.440 0.137 1
1 326 . 6 1 1 A 31 31 PHE N N 393 114.802 117.982 -3.180 1
1 327 . 6 1 1 A 32 32 GLN H H 394 7.671 7.933 -0.262 1
1 328 . 6 1 1 A 32 32 GLN HA H 394 4.261 4.299 -0.038 1
1 335 . 6 1 1 A 32 32 GLN CA C 394 57.393 58.640 -1.247 1
1 336 . 6 1 1 A 32 32 GLN CB C 394 28.710 28.633 0.077 1
1 338 . 6 1 1 A 32 32 GLN N N 394 117.129 119.184 -2.055 1
1 340 . 6 1 1 A 33 33 HIS H H 395 7.581 7.668 -0.087 1
1 341 . 6 1 1 A 33 33 HIS HA H 395 4.498 4.354 0.144 1
1 346 . 6 1 1 A 33 33 HIS CA C 395 56.467 57.449 -0.982 1
1 347 . 6 1 1 A 33 33 HIS CB C 395 31.398 31.344 0.054 1
1 350 . 6 1 1 A 33 33 HIS N N 395 115.481 114.565 0.916 1
1 351 . 6 1 1 A 34 34 PHE H H 396 8.044 8.368 -0.324 1
1 352 . 6 1 1 A 34 34 PHE HA H 396 5.398 5.103 0.295 1
1 360 . 6 1 1 A 34 34 PHE CA C 396 56.318 56.073 0.245 1
1 361 . 6 1 1 A 34 34 PHE CB C 396 41.617 41.096 0.521 1
1 367 . 6 1 1 A 34 34 PHE N N 396 117.547 116.199 1.348 1
1 368 . 6 1 1 A 35 35 SER H H 397 8.603 9.414 -0.811 1
1 369 . 6 1 1 A 35 35 SER HA H 397 4.769 4.816 -0.047 1
1 372 . 6 1 1 A 35 35 SER CA C 397 56.350 56.627 -0.277 1
1 373 . 6 1 1 A 35 35 SER CB C 397 65.912 64.533 1.379 1
1 374 . 6 1 1 A 35 35 SER N N 397 114.732 118.236 -3.504 1
1 375 . 6 1 1 A 36 36 HIS H H 398 9.538 8.817 0.721 1
1 376 . 6 1 1 A 36 36 HIS HA H 398 4.572 5.056 -0.484 1
1 381 . 6 1 1 A 36 36 HIS CA C 398 56.432 53.803 2.629 1
1 382 . 6 1 1 A 36 36 HIS CB C 398 29.935 33.060 -3.125 1
1 385 . 6 1 1 A 36 36 HIS N N 398 120.612 120.520 0.092 1
1 386 . 6 1 1 A 37 37 PRO HA H 399 3.457 3.179 0.278 1
1 393 . 6 1 1 A 37 37 PRO CA C 399 64.278 63.083 1.195 1
1 394 . 6 1 1 A 37 37 PRO CB C 399 30.979 31.008 -0.029 1
1 397 . 6 1 1 A 38 38 GLY H H 400 8.832 8.725 0.107 1
1 398 . 6 1 1 A 38 38 GLY HA2 H 400 3.593 3.824 -0.231 1
1 399 . 6 1 1 A 38 38 GLY HA3 H 400 4.522 3.834 0.688 1
1 400 . 6 1 1 A 38 38 GLY CA C 400 44.843 45.135 -0.292 1
1 401 . 6 1 1 A 38 38 GLY N N 400 115.162 112.083 3.079 1
1 402 . 6 1 1 A 39 39 ASP H H 401 8.505 7.533 0.972 1
1 403 . 6 1 1 A 39 39 ASP HA H 401 4.938 4.931 0.007 1
1 406 . 6 1 1 A 39 39 ASP CA C 401 54.320 53.384 0.936 1
1 407 . 6 1 1 A 39 39 ASP CB C 401 41.893 42.538 -0.645 1
1 408 . 6 1 1 A 39 39 ASP N N 401 121.905 121.136 0.769 1
1 409 . 6 1 1 A 40 40 SER H H 402 9.378 9.144 0.234 1
1 410 . 6 1 1 A 40 40 SER HA H 402 4.281 4.112 0.169 1
1 413 . 6 1 1 A 40 40 SER CA C 402 61.078 61.046 0.032 1
1 414 . 6 1 1 A 40 40 SER CB C 402 62.829 62.692 0.137 1
1 415 . 6 1 1 A 40 40 SER N N 402 119.493 118.554 0.939 1
1 416 . 6 1 1 A 41 41 ASP H H 403 8.924 7.977 0.947 1
1 417 . 6 1 1 A 41 41 ASP HA H 403 4.697 4.770 -0.073 1
1 420 . 6 1 1 A 41 41 ASP CA C 403 52.287 53.803 -1.516 1
1 421 . 6 1 1 A 41 41 ASP CB C 403 39.077 41.957 -2.880 1
1 422 . 6 1 1 A 41 41 ASP N N 403 116.599 119.122 -2.523 1
1 423 . 6 1 1 A 42 42 TYR H H 404 7.427 7.587 -0.160 1
1 424 . 6 1 1 A 42 42 TYR HA H 404 4.452 4.321 0.131 1
1 431 . 6 1 1 A 42 42 TYR CA C 404 59.218 59.613 -0.395 1
1 432 . 6 1 1 A 42 42 TYR CB C 404 39.543 39.115 0.428 1
1 437 . 6 1 1 A 42 42 TYR N N 404 122.560 123.292 -0.732 1
1 438 . 6 1 1 A 43 43 GLY H H 405 7.715 8.640 -0.925 1
1 439 . 6 1 1 A 43 43 GLY HA2 H 405 3.743 3.616 0.127 1
1 440 . 6 1 1 A 43 43 GLY HA3 H 405 3.704 3.695 0.009 1
1 441 . 6 1 1 A 43 43 GLY CA C 405 45.100 46.663 -1.563 1
1 442 . 6 1 1 A 43 43 GLY N N 405 114.997 113.264 1.733 1
1 443 . 6 1 1 A 44 44 GLY H H 406 7.088 6.388 0.700 1
1 444 . 6 1 1 A 44 44 GLY HA2 H 406 3.887 3.514 0.373 1
1 445 . 6 1 1 A 44 44 GLY HA3 H 406 3.887 3.730 0.157 1
1 446 . 6 1 1 A 44 44 GLY CA C 406 45.011 46.169 -1.158 1
1 447 . 6 1 1 A 44 44 GLY N N 406 107.744 106.900 0.844 1
1 448 . 6 1 1 A 45 45 VAL H H 407 8.064 8.027 0.037 1
1 449 . 6 1 1 A 45 45 VAL HA H 407 4.147 3.712 0.435 1
1 457 . 6 1 1 A 45 45 VAL CA C 407 62.222 62.505 -0.283 1
1 458 . 6 1 1 A 45 45 VAL CB C 407 32.899 30.420 2.479 1
1 461 . 6 1 1 A 45 45 VAL N N 407 119.029 110.977 8.052 1
1 462 . 6 1 1 A 46 46 GLN H H 408 8.506 7.713 0.793 1
1 463 . 6 1 1 A 46 46 GLN HA H 408 4.433 4.807 -0.374 1
1 470 . 6 1 1 A 46 46 GLN CA C 408 55.631 54.906 0.725 1
1 471 . 6 1 1 A 46 46 GLN CB C 408 29.682 28.584 1.098 1
1 473 . 6 1 1 A 46 46 GLN N N 408 124.737 118.070 6.667 1
1 475 . 6 1 1 A 47 47 ILE H H 409 8.330 8.748 -0.418 1
1 476 . 6 1 1 A 47 47 ILE HA H 409 4.237 4.410 -0.173 1
1 486 . 6 1 1 A 47 47 ILE CA C 409 60.885 60.849 0.036 1
1 487 . 6 1 1 A 47 47 ILE CB C 409 38.690 36.338 2.352 1
1 491 . 6 1 1 A 47 47 ILE N N 409 123.582 125.980 -2.398 1
1 492 . 6 1 1 A 48 48 VAL H H 410 8.298 8.616 -0.318 1
1 493 . 6 1 1 A 48 48 VAL HA H 410 4.183 4.324 -0.141 1
1 501 . 6 1 1 A 48 48 VAL CA C 410 62.351 61.103 1.248 1
1 502 . 6 1 1 A 48 48 VAL CB C 410 32.841 31.975 0.866 1
1 505 . 6 1 1 A 48 48 VAL N N 410 125.073 128.060 -2.987 1
1 506 . 6 1 1 A 49 49 GLY H H 411 8.609 7.948 0.661 1
1 507 . 6 1 1 A 49 49 GLY HA2 H 411 4.032 4.030 0.002 1
1 508 . 6 1 1 A 49 49 GLY HA3 H 411 4.008 4.033 -0.025 1
1 509 . 6 1 1 A 49 49 GLY CA C 411 45.281 46.255 -0.974 1
1 510 . 6 1 1 A 49 49 GLY N N 411 113.133 113.709 -0.576 1
1 511 . 6 1 1 A 50 50 GLN H H 412 8.317 8.291 0.026 1
1 512 . 6 1 1 A 50 50 GLN HA H 412 4.403 4.009 0.394 1
1 519 . 6 1 1 A 50 50 GLN CA C 412 55.872 58.934 -3.062 1
1 520 . 6 1 1 A 50 50 GLN CB C 412 29.678 28.645 1.033 1
1 522 . 6 1 1 A 50 50 GLN N N 412 119.972 118.557 1.415 1
1 524 . 6 1 1 A 51 51 ASP H H 413 8.533 8.053 0.480 1
1 525 . 6 1 1 A 51 51 ASP HA H 413 4.646 4.873 -0.227 1
1 528 . 6 1 1 A 51 51 ASP CA C 413 54.459 52.817 1.642 1
1 529 . 6 1 1 A 51 51 ASP CB C 413 41.215 41.830 -0.615 1
1 530 . 6 1 1 A 51 51 ASP N N 413 121.378 116.949 4.429 1
1 531 . 6 1 1 A 52 52 GLU H H 414 8.457 7.630 0.827 1
1 532 . 6 1 1 A 52 52 GLU HA H 414 4.392 4.623 -0.231 1
1 537 . 6 1 1 A 52 52 GLU CA C 414 56.700 55.133 1.567 1
1 538 . 6 1 1 A 52 52 GLU CB C 414 30.238 29.832 0.406 1
1 540 . 6 1 1 A 52 52 GLU N N 414 121.491 123.099 -1.608 1
1 541 . 6 1 1 A 53 53 THR H H 415 8.263 8.040 0.223 1
1 542 . 6 1 1 A 53 53 THR HA H 415 4.306 4.568 -0.262 1
1 547 . 6 1 1 A 53 53 THR CA C 415 62.113 60.039 2.074 1
1 548 . 6 1 1 A 53 53 THR CB C 415 69.912 68.649 1.263 1
1 550 . 6 1 1 A 53 53 THR N N 415 114.960 115.281 -0.321 1
1 551 . 6 1 1 A 54 54 ASP H H 416 8.279 8.667 -0.388 1
1 552 . 6 1 1 A 54 54 ASP HA H 416 4.661 4.909 -0.248 1
1 555 . 6 1 1 A 54 54 ASP CA C 416 53.775 52.766 1.009 1
1 556 . 6 1 1 A 54 54 ASP CB C 416 41.188 41.486 -0.298 1
1 557 . 6 1 1 A 54 54 ASP N N 416 123.335 123.718 -0.383 1
1 1 . 7 1 1 A 2 2 PRO HA H 364 4.519 4.585 -0.066 1
1 8 . 7 1 1 A 2 2 PRO CA C 364 63.238 62.740 0.498 1
1 9 . 7 1 1 A 2 2 PRO CB C 364 32.338 31.809 0.529 1
1 12 . 7 1 1 A 3 3 LEU H H 365 8.557 8.668 -0.111 1
1 13 . 7 1 1 A 3 3 LEU HA H 365 4.406 4.619 -0.213 1
1 23 . 7 1 1 A 3 3 LEU CA C 365 55.436 53.647 1.789 1
1 24 . 7 1 1 A 3 3 LEU CB C 365 42.304 42.440 -0.136 1
1 28 . 7 1 1 A 3 3 LEU N N 365 122.297 124.164 -1.867 1
1 29 . 7 1 1 A 4 4 GLY H H 366 8.443 8.538 -0.095 1
1 30 . 7 1 1 A 4 4 GLY HA2 H 366 4.040 4.098 -0.058 1
1 31 . 7 1 1 A 4 4 GLY HA3 H 366 4.056 4.126 -0.070 1
1 32 . 7 1 1 A 4 4 GLY CA C 366 45.361 46.338 -0.977 1
1 33 . 7 1 1 A 4 4 GLY N N 366 110.040 109.119 0.921 1
1 34 . 7 1 1 A 5 5 SER H H 367 8.374 8.605 -0.231 1
1 35 . 7 1 1 A 5 5 SER HA H 367 4.521 5.174 -0.653 1
1 38 . 7 1 1 A 5 5 SER CA C 367 58.573 57.262 1.311 1
1 39 . 7 1 1 A 5 5 SER CB C 367 64.058 65.340 -1.282 1
1 40 . 7 1 1 A 5 5 SER N N 367 116.007 116.532 -0.525 1
1 41 . 7 1 1 A 6 6 GLY H H 368 8.639 8.644 -0.005 1
1 42 . 7 1 1 A 6 6 GLY HA2 H 368 4.095 4.094 0.001 1
1 43 . 7 1 1 A 6 6 GLY HA3 H 368 4.067 4.168 -0.101 1
1 44 . 7 1 1 A 6 6 GLY CA C 368 45.494 44.420 1.074 1
1 45 . 7 1 1 A 6 6 GLY N N 368 111.362 111.961 -0.599 1
1 46 . 7 1 1 A 7 7 SER H H 369 8.313 8.751 -0.438 1
1 47 . 7 1 1 A 7 7 SER HA H 369 4.516 4.760 -0.244 1
1 50 . 7 1 1 A 7 7 SER CA C 369 58.583 57.301 1.282 1
1 51 . 7 1 1 A 7 7 SER CB C 369 63.973 64.826 -0.853 1
1 52 . 7 1 1 A 7 7 SER N N 369 115.885 120.089 -4.204 1
1 53 . 7 1 1 A 8 8 GLU H H 370 8.630 8.488 0.142 1
1 54 . 7 1 1 A 8 8 GLU HA H 370 4.330 4.978 -0.648 1
1 59 . 7 1 1 A 8 8 GLU CA C 370 57.138 55.249 1.889 1
1 60 . 7 1 1 A 8 8 GLU CB C 370 29.984 33.890 -3.906 1
1 62 . 7 1 1 A 8 8 GLU N N 370 122.682 125.516 -2.834 1
1 63 . 7 1 1 A 9 9 GLY H H 371 8.394 8.384 0.010 1
1 64 . 7 1 1 A 9 9 GLY HA2 H 371 3.976 4.309 -0.333 1
1 65 . 7 1 1 A 9 9 GLY HA3 H 371 3.976 4.312 -0.336 1
1 66 . 7 1 1 A 9 9 GLY CA C 371 45.469 45.835 -0.366 1
1 67 . 7 1 1 A 9 9 GLY N N 371 109.245 110.168 -0.923 1
1 68 . 7 1 1 A 10 10 ASN H H 372 8.283 7.950 0.333 1
1 69 . 7 1 1 A 10 10 ASN HA H 372 4.732 5.005 -0.273 1
1 74 . 7 1 1 A 10 10 ASN CA C 372 53.263 54.018 -0.755 1
1 75 . 7 1 1 A 10 10 ASN CB C 372 38.961 41.126 -2.165 1
1 76 . 7 1 1 A 10 10 ASN N N 372 118.662 116.709 1.953 1
1 78 . 7 1 1 A 11 11 LYS H H 373 8.264 7.568 0.696 1
1 79 . 7 1 1 A 11 11 LYS HA H 373 4.360 4.579 -0.219 1
1 88 . 7 1 1 A 11 11 LYS CA C 373 56.413 55.569 0.844 1
1 89 . 7 1 1 A 11 11 LYS CB C 373 33.054 33.442 -0.388 1
1 93 . 7 1 1 A 11 11 LYS N N 373 121.729 117.574 4.155 1
1 94 . 7 1 1 A 12 12 VAL H H 374 8.114 8.788 -0.674 1
1 95 . 7 1 1 A 12 12 VAL HA H 374 4.086 4.898 -0.812 1
1 103 . 7 1 1 A 12 12 VAL CA C 374 62.169 59.441 2.728 1
1 104 . 7 1 1 A 12 12 VAL CB C 374 32.862 35.801 -2.939 1
1 107 . 7 1 1 A 12 12 VAL N N 374 121.704 123.234 -1.530 1
1 108 . 7 1 1 A 13 13 LYS H H 375 8.415 8.330 0.085 1
1 109 . 7 1 1 A 13 13 LYS HA H 375 4.383 4.406 -0.023 1
1 118 . 7 1 1 A 13 13 LYS CA C 375 55.989 55.593 0.396 1
1 119 . 7 1 1 A 13 13 LYS CB C 375 33.159 31.853 1.306 1
1 123 . 7 1 1 A 13 13 LYS N N 375 126.419 126.256 0.163 1
1 124 . 7 1 1 A 14 14 ARG H H 376 8.753 7.989 0.764 1
1 125 . 7 1 1 A 14 14 ARG HA H 376 4.363 4.354 0.009 1
1 132 . 7 1 1 A 14 14 ARG CA C 376 56.293 56.312 -0.019 1
1 133 . 7 1 1 A 14 14 ARG CB C 376 32.331 31.315 1.016 1
1 136 . 7 1 1 A 14 14 ARG N N 376 123.397 126.626 -3.229 1
1 137 . 7 1 1 A 15 15 THR H H 377 8.081 8.277 -0.196 1
1 138 . 7 1 1 A 15 15 THR HA H 377 4.398 4.464 -0.066 1
1 143 . 7 1 1 A 15 15 THR CA C 377 61.533 62.106 -0.573 1
1 144 . 7 1 1 A 15 15 THR CB C 377 70.409 69.811 0.598 1
1 146 . 7 1 1 A 15 15 THR N N 377 117.600 117.646 -0.046 1
1 147 . 7 1 1 A 16 16 SER H H 378 8.614 8.526 0.088 1
1 148 . 7 1 1 A 16 16 SER HA H 378 4.853 4.437 0.416 1
1 151 . 7 1 1 A 16 16 SER CA C 378 59.098 58.768 0.330 1
1 152 . 7 1 1 A 16 16 SER CB C 378 63.763 63.464 0.299 1
1 153 . 7 1 1 A 16 16 SER N N 378 121.120 120.884 0.236 1
1 154 . 7 1 1 A 17 17 CYS H H 379 9.252 8.796 0.456 1
1 155 . 7 1 1 A 17 17 CYS HA H 379 3.994 4.301 -0.307 1
1 158 . 7 1 1 A 17 17 CYS CA C 379 60.962 59.746 1.216 1
1 159 . 7 1 1 A 17 17 CYS CB C 379 29.581 29.274 0.307 1
1 160 . 7 1 1 A 17 17 CYS N N 379 127.790 124.687 3.103 1
1 161 . 7 1 1 A 18 18 MET H H 380 8.831 8.695 0.136 1
1 162 . 7 1 1 A 18 18 MET HA H 380 4.212 4.017 0.195 1
1 170 . 7 1 1 A 18 18 MET CA C 380 58.209 58.699 -0.490 1
1 171 . 7 1 1 A 18 18 MET CB C 380 31.936 31.803 0.133 1
1 174 . 7 1 1 A 18 18 MET N N 380 130.017 125.377 4.640 1
1 175 . 7 1 1 A 19 19 TYR H H 381 8.701 7.579 1.122 1
1 176 . 7 1 1 A 19 19 TYR HA H 381 4.579 4.519 0.060 1
1 183 . 7 1 1 A 19 19 TYR CA C 381 58.762 59.733 -0.971 1
1 184 . 7 1 1 A 19 19 TYR CB C 381 37.595 38.605 -1.010 1
1 189 . 7 1 1 A 19 19 TYR N N 381 120.369 118.693 1.676 1
1 190 . 7 1 1 A 20 20 GLY H H 382 7.760 8.324 -0.564 1
1 191 . 7 1 1 A 20 20 GLY HA2 H 382 3.710 3.969 -0.259 1
1 192 . 7 1 1 A 20 20 GLY HA3 H 382 4.085 4.013 0.072 1
1 193 . 7 1 1 A 20 20 GLY CA C 382 47.627 47.462 0.165 1
1 194 . 7 1 1 A 20 20 GLY N N 382 107.481 108.433 -0.952 1
1 195 . 7 1 1 A 21 21 ALA H H 383 9.248 8.559 0.689 1
1 196 . 7 1 1 A 21 21 ALA HA H 383 4.354 4.377 -0.023 1
1 200 . 7 1 1 A 21 21 ALA CA C 383 53.398 52.293 1.105 1
1 201 . 7 1 1 A 21 21 ALA CB C 383 18.808 19.503 -0.695 1
1 202 . 7 1 1 A 21 21 ALA N N 383 128.449 129.259 -0.810 1
1 203 . 7 1 1 A 22 22 ASN H H 384 8.261 7.821 0.440 1
1 204 . 7 1 1 A 22 22 ASN HA H 384 4.944 5.081 -0.137 1
1 209 . 7 1 1 A 22 22 ASN CA C 384 52.140 52.836 -0.696 1
1 210 . 7 1 1 A 22 22 ASN CB C 384 38.940 39.916 -0.976 1
1 211 . 7 1 1 A 22 22 ASN N N 384 115.516 115.560 -0.044 1
1 213 . 7 1 1 A 23 23 CYS H H 385 7.174 7.752 -0.578 1
1 214 . 7 1 1 A 23 23 CYS HA H 385 3.736 3.846 -0.110 1
1 217 . 7 1 1 A 23 23 CYS CA C 385 61.867 58.402 3.465 1
1 218 . 7 1 1 A 23 23 CYS CB C 385 29.434 27.174 2.260 1
1 219 . 7 1 1 A 23 23 CYS N N 385 121.580 121.062 0.518 1
1 220 . 7 1 1 A 24 24 TYR H H 386 7.680 7.459 0.221 1
1 221 . 7 1 1 A 24 24 TYR HA H 386 4.858 4.173 0.685 1
1 228 . 7 1 1 A 24 24 TYR CA C 386 56.348 60.067 -3.719 1
1 229 . 7 1 1 A 24 24 TYR CB C 386 38.216 37.673 0.543 1
1 234 . 7 1 1 A 24 24 TYR N N 386 126.676 125.040 1.636 1
1 235 . 7 1 1 A 25 25 ARG H H 387 7.988 6.462 1.526 1
1 236 . 7 1 1 A 25 25 ARG HA H 387 4.054 4.522 -0.468 1
1 243 . 7 1 1 A 25 25 ARG CA C 387 56.282 55.185 1.097 1
1 244 . 7 1 1 A 25 25 ARG CB C 387 29.894 31.055 -1.161 1
1 247 . 7 1 1 A 25 25 ARG N N 387 123.491 117.929 5.562 1
1 248 . 7 1 1 A 26 26 LYS H H 388 8.951 8.836 0.115 1
1 249 . 7 1 1 A 26 26 LYS HA H 388 4.635 4.698 -0.063 1
1 258 . 7 1 1 A 26 26 LYS CA C 388 55.605 54.638 0.967 1
1 259 . 7 1 1 A 26 26 LYS CB C 388 34.387 35.998 -1.611 1
1 263 . 7 1 1 A 26 26 LYS N N 388 118.569 119.931 -1.362 1
1 264 . 7 1 1 A 27 27 ASN H H 389 8.400 8.533 -0.133 1
1 265 . 7 1 1 A 27 27 ASN HA H 389 4.950 5.195 -0.245 1
1 270 . 7 1 1 A 27 27 ASN CA C 389 51.827 50.016 1.811 1
1 271 . 7 1 1 A 27 27 ASN CB C 389 39.171 39.174 -0.003 1
1 272 . 7 1 1 A 27 27 ASN N N 389 122.702 120.304 2.398 1
1 274 . 7 1 1 A 28 28 PRO HA H 390 4.595 4.519 0.076 1
1 281 . 7 1 1 A 28 28 PRO CA C 390 65.632 64.805 0.827 1
1 282 . 7 1 1 A 28 28 PRO CB C 390 32.574 32.215 0.359 1
1 285 . 7 1 1 A 29 29 VAL H H 391 8.337 7.661 0.676 1
1 286 . 7 1 1 A 29 29 VAL HA H 391 3.818 4.457 -0.639 1
1 294 . 7 1 1 A 29 29 VAL CA C 391 65.608 64.369 1.239 1
1 295 . 7 1 1 A 29 29 VAL CB C 391 31.546 31.826 -0.280 1
1 298 . 7 1 1 A 29 29 VAL N N 391 117.431 116.244 1.187 1
1 299 . 7 1 1 A 30 30 HIS H H 392 8.037 8.139 -0.102 1
1 300 . 7 1 1 A 30 30 HIS HA H 392 4.565 4.106 0.459 1
1 305 . 7 1 1 A 30 30 HIS CA C 392 60.297 59.069 1.228 1
1 306 . 7 1 1 A 30 30 HIS CB C 392 27.700 29.554 -1.854 1
1 309 . 7 1 1 A 30 30 HIS N N 392 120.267 120.470 -0.203 1
1 310 . 7 1 1 A 31 31 PHE H H 393 7.059 8.109 -1.050 1
1 311 . 7 1 1 A 31 31 PHE HA H 393 4.465 4.363 0.102 1
1 319 . 7 1 1 A 31 31 PHE CA C 393 59.951 61.620 -1.669 1
1 320 . 7 1 1 A 31 31 PHE CB C 393 38.577 38.292 0.285 1
1 326 . 7 1 1 A 31 31 PHE N N 393 114.802 117.771 -2.969 1
1 327 . 7 1 1 A 32 32 GLN H H 394 7.671 7.958 -0.287 1
1 328 . 7 1 1 A 32 32 GLN HA H 394 4.261 4.337 -0.076 1
1 335 . 7 1 1 A 32 32 GLN CA C 394 57.393 58.830 -1.437 1
1 336 . 7 1 1 A 32 32 GLN CB C 394 28.710 28.776 -0.066 1
1 338 . 7 1 1 A 32 32 GLN N N 394 117.129 119.707 -2.578 1
1 340 . 7 1 1 A 33 33 HIS H H 395 7.581 7.662 -0.081 1
1 341 . 7 1 1 A 33 33 HIS HA H 395 4.498 4.196 0.302 1
1 346 . 7 1 1 A 33 33 HIS CA C 395 56.467 58.190 -1.723 1
1 347 . 7 1 1 A 33 33 HIS CB C 395 31.398 30.888 0.510 1
1 350 . 7 1 1 A 33 33 HIS N N 395 115.481 115.067 0.414 1
1 351 . 7 1 1 A 34 34 PHE H H 396 8.044 7.736 0.308 1
1 352 . 7 1 1 A 34 34 PHE HA H 396 5.398 5.241 0.157 1
1 360 . 7 1 1 A 34 34 PHE CA C 396 56.318 55.968 0.350 1
1 361 . 7 1 1 A 34 34 PHE CB C 396 41.617 42.148 -0.531 1
1 367 . 7 1 1 A 34 34 PHE N N 396 117.547 116.103 1.444 1
1 368 . 7 1 1 A 35 35 SER H H 397 8.603 9.328 -0.725 1
1 369 . 7 1 1 A 35 35 SER HA H 397 4.769 4.880 -0.111 1
1 372 . 7 1 1 A 35 35 SER CA C 397 56.350 57.905 -1.555 1
1 373 . 7 1 1 A 35 35 SER CB C 397 65.912 64.313 1.599 1
1 374 . 7 1 1 A 35 35 SER N N 397 114.732 118.556 -3.824 1
1 375 . 7 1 1 A 36 36 HIS H H 398 9.538 8.782 0.756 1
1 376 . 7 1 1 A 36 36 HIS HA H 398 4.572 5.156 -0.584 1
1 381 . 7 1 1 A 36 36 HIS CA C 398 56.432 53.868 2.564 1
1 382 . 7 1 1 A 36 36 HIS CB C 398 29.935 33.080 -3.145 1
1 385 . 7 1 1 A 36 36 HIS N N 398 120.612 120.289 0.323 1
1 386 . 7 1 1 A 37 37 PRO HA H 399 3.457 3.035 0.422 1
1 393 . 7 1 1 A 37 37 PRO CA C 399 64.278 63.013 1.265 1
1 394 . 7 1 1 A 37 37 PRO CB C 399 30.979 30.913 0.066 1
1 397 . 7 1 1 A 38 38 GLY H H 400 8.832 8.696 0.136 1
1 398 . 7 1 1 A 38 38 GLY HA2 H 400 3.593 3.785 -0.192 1
1 399 . 7 1 1 A 38 38 GLY HA3 H 400 4.522 3.798 0.724 1
1 400 . 7 1 1 A 38 38 GLY CA C 400 44.843 45.065 -0.222 1
1 401 . 7 1 1 A 38 38 GLY N N 400 115.162 112.381 2.781 1
1 402 . 7 1 1 A 39 39 ASP H H 401 8.505 7.518 0.987 1
1 403 . 7 1 1 A 39 39 ASP HA H 401 4.938 4.994 -0.056 1
1 406 . 7 1 1 A 39 39 ASP CA C 401 54.320 52.454 1.866 1
1 407 . 7 1 1 A 39 39 ASP CB C 401 41.893 43.467 -1.574 1
1 408 . 7 1 1 A 39 39 ASP N N 401 121.905 120.785 1.120 1
1 409 . 7 1 1 A 40 40 SER H H 402 9.378 8.839 0.539 1
1 410 . 7 1 1 A 40 40 SER HA H 402 4.281 4.302 -0.021 1
1 413 . 7 1 1 A 40 40 SER CA C 402 61.078 60.753 0.325 1
1 414 . 7 1 1 A 40 40 SER CB C 402 62.829 63.267 -0.438 1
1 415 . 7 1 1 A 40 40 SER N N 402 119.493 117.336 2.157 1
1 416 . 7 1 1 A 41 41 ASP H H 403 8.924 7.967 0.957 1
1 417 . 7 1 1 A 41 41 ASP HA H 403 4.697 4.716 -0.019 1
1 420 . 7 1 1 A 41 41 ASP CA C 403 52.287 53.927 -1.640 1
1 421 . 7 1 1 A 41 41 ASP CB C 403 39.077 41.679 -2.602 1
1 422 . 7 1 1 A 41 41 ASP N N 403 116.599 119.951 -3.352 1
1 423 . 7 1 1 A 42 42 TYR H H 404 7.427 7.707 -0.280 1
1 424 . 7 1 1 A 42 42 TYR HA H 404 4.452 4.308 0.144 1
1 431 . 7 1 1 A 42 42 TYR CA C 404 59.218 59.941 -0.723 1
1 432 . 7 1 1 A 42 42 TYR CB C 404 39.543 39.078 0.465 1
1 437 . 7 1 1 A 42 42 TYR N N 404 122.560 123.084 -0.524 1
1 438 . 7 1 1 A 43 43 GLY H H 405 7.715 8.088 -0.373 1
1 439 . 7 1 1 A 43 43 GLY HA2 H 405 3.743 3.882 -0.139 1
1 440 . 7 1 1 A 43 43 GLY HA3 H 405 3.704 4.033 -0.329 1
1 441 . 7 1 1 A 43 43 GLY CA C 405 45.100 45.387 -0.287 1
1 442 . 7 1 1 A 43 43 GLY N N 405 114.997 112.038 2.959 1
1 443 . 7 1 1 A 44 44 GLY H H 406 7.088 7.755 -0.667 1
1 444 . 7 1 1 A 44 44 GLY HA2 H 406 3.887 4.054 -0.167 1
1 445 . 7 1 1 A 44 44 GLY HA3 H 406 3.887 4.061 -0.174 1
1 446 . 7 1 1 A 44 44 GLY CA C 406 45.011 45.571 -0.560 1
1 447 . 7 1 1 A 44 44 GLY N N 406 107.744 109.118 -1.374 1
1 448 . 7 1 1 A 45 45 VAL H H 407 8.064 8.009 0.055 1
1 449 . 7 1 1 A 45 45 VAL HA H 407 4.147 4.190 -0.043 1
1 457 . 7 1 1 A 45 45 VAL CA C 407 62.222 62.072 0.150 1
1 458 . 7 1 1 A 45 45 VAL CB C 407 32.899 29.861 3.038 1
1 461 . 7 1 1 A 45 45 VAL N N 407 119.029 120.719 -1.690 1
1 462 . 7 1 1 A 46 46 GLN H H 408 8.506 8.235 0.271 1
1 463 . 7 1 1 A 46 46 GLN HA H 408 4.433 4.809 -0.376 1
1 470 . 7 1 1 A 46 46 GLN CA C 408 55.631 54.820 0.811 1
1 471 . 7 1 1 A 46 46 GLN CB C 408 29.682 28.899 0.783 1
1 473 . 7 1 1 A 46 46 GLN N N 408 124.737 121.947 2.790 1
1 475 . 7 1 1 A 47 47 ILE H H 409 8.330 8.710 -0.380 1
1 476 . 7 1 1 A 47 47 ILE HA H 409 4.237 4.506 -0.269 1
1 486 . 7 1 1 A 47 47 ILE CA C 409 60.885 60.712 0.173 1
1 487 . 7 1 1 A 47 47 ILE CB C 409 38.690 37.069 1.621 1
1 491 . 7 1 1 A 47 47 ILE N N 409 123.582 125.902 -2.320 1
1 492 . 7 1 1 A 48 48 VAL H H 410 8.298 8.641 -0.343 1
1 493 . 7 1 1 A 48 48 VAL HA H 410 4.183 4.432 -0.249 1
1 501 . 7 1 1 A 48 48 VAL CA C 410 62.351 60.983 1.368 1
1 502 . 7 1 1 A 48 48 VAL CB C 410 32.841 32.169 0.672 1
1 505 . 7 1 1 A 48 48 VAL N N 410 125.073 127.781 -2.708 1
1 506 . 7 1 1 A 49 49 GLY H H 411 8.609 8.477 0.132 1
1 507 . 7 1 1 A 49 49 GLY HA2 H 411 4.032 3.982 0.050 1
1 508 . 7 1 1 A 49 49 GLY HA3 H 411 4.008 3.982 0.026 1
1 509 . 7 1 1 A 49 49 GLY CA C 411 45.281 46.538 -1.257 1
1 510 . 7 1 1 A 49 49 GLY N N 411 113.133 115.716 -2.583 1
1 511 . 7 1 1 A 50 50 GLN H H 412 8.317 8.192 0.125 1
1 512 . 7 1 1 A 50 50 GLN HA H 412 4.403 4.037 0.366 1
1 519 . 7 1 1 A 50 50 GLN CA C 412 55.872 58.759 -2.887 1
1 520 . 7 1 1 A 50 50 GLN CB C 412 29.678 28.665 1.013 1
1 522 . 7 1 1 A 50 50 GLN N N 412 119.972 118.268 1.704 1
1 524 . 7 1 1 A 51 51 ASP H H 413 8.533 8.191 0.342 1
1 525 . 7 1 1 A 51 51 ASP HA H 413 4.646 4.810 -0.164 1
1 528 . 7 1 1 A 51 51 ASP CA C 413 54.459 53.471 0.988 1
1 529 . 7 1 1 A 51 51 ASP CB C 413 41.215 41.510 -0.295 1
1 530 . 7 1 1 A 51 51 ASP N N 413 121.378 116.777 4.601 1
1 531 . 7 1 1 A 52 52 GLU H H 414 8.457 8.019 0.438 1
1 532 . 7 1 1 A 52 52 GLU HA H 414 4.392 4.626 -0.234 1
1 537 . 7 1 1 A 52 52 GLU CA C 414 56.700 55.540 1.160 1
1 538 . 7 1 1 A 52 52 GLU CB C 414 30.238 30.261 -0.023 1
1 540 . 7 1 1 A 52 52 GLU N N 414 121.491 118.507 2.984 1
1 541 . 7 1 1 A 53 53 THR H H 415 8.263 7.861 0.402 1
1 542 . 7 1 1 A 53 53 THR HA H 415 4.306 4.614 -0.308 1
1 547 . 7 1 1 A 53 53 THR CA C 415 62.113 60.884 1.229 1
1 548 . 7 1 1 A 53 53 THR CB C 415 69.912 69.249 0.663 1
1 550 . 7 1 1 A 53 53 THR N N 415 114.960 115.853 -0.893 1
1 551 . 7 1 1 A 54 54 ASP H H 416 8.279 8.687 -0.408 1
1 552 . 7 1 1 A 54 54 ASP HA H 416 4.661 4.855 -0.194 1
1 555 . 7 1 1 A 54 54 ASP CA C 416 53.775 52.995 0.780 1
1 556 . 7 1 1 A 54 54 ASP CB C 416 41.188 41.248 -0.060 1
1 557 . 7 1 1 A 54 54 ASP N N 416 123.335 126.617 -3.282 1
1 1 . 8 1 1 A 2 2 PRO HA H 364 4.519 4.698 -0.179 1
1 8 . 8 1 1 A 2 2 PRO CA C 364 63.238 62.648 0.590 1
1 9 . 8 1 1 A 2 2 PRO CB C 364 32.338 31.829 0.509 1
1 12 . 8 1 1 A 3 3 LEU H H 365 8.557 8.657 -0.100 1
1 13 . 8 1 1 A 3 3 LEU HA H 365 4.406 4.713 -0.307 1
1 23 . 8 1 1 A 3 3 LEU CA C 365 55.436 53.716 1.720 1
1 24 . 8 1 1 A 3 3 LEU CB C 365 42.304 42.749 -0.445 1
1 28 . 8 1 1 A 3 3 LEU N N 365 122.297 123.537 -1.240 1
1 29 . 8 1 1 A 4 4 GLY H H 366 8.443 8.327 0.116 1
1 30 . 8 1 1 A 4 4 GLY HA2 H 366 4.040 4.114 -0.074 1
1 31 . 8 1 1 A 4 4 GLY HA3 H 366 4.056 4.117 -0.061 1
1 32 . 8 1 1 A 4 4 GLY CA C 366 45.361 45.425 -0.064 1
1 33 . 8 1 1 A 4 4 GLY N N 366 110.040 111.718 -1.678 1
1 34 . 8 1 1 A 5 5 SER H H 367 8.374 9.055 -0.681 1
1 35 . 8 1 1 A 5 5 SER HA H 367 4.521 4.620 -0.099 1
1 38 . 8 1 1 A 5 5 SER CA C 367 58.573 58.963 -0.390 1
1 39 . 8 1 1 A 5 5 SER CB C 367 64.058 65.324 -1.266 1
1 40 . 8 1 1 A 5 5 SER N N 367 116.007 120.196 -4.189 1
1 41 . 8 1 1 A 6 6 GLY H H 368 8.639 7.515 1.124 1
1 42 . 8 1 1 A 6 6 GLY HA2 H 368 4.095 4.077 0.018 1
1 43 . 8 1 1 A 6 6 GLY HA3 H 368 4.067 4.104 -0.037 1
1 44 . 8 1 1 A 6 6 GLY CA C 368 45.494 44.250 1.244 1
1 45 . 8 1 1 A 6 6 GLY N N 368 111.362 106.856 4.506 1
1 46 . 8 1 1 A 7 7 SER H H 369 8.313 8.462 -0.149 1
1 47 . 8 1 1 A 7 7 SER HA H 369 4.516 5.296 -0.780 1
1 50 . 8 1 1 A 7 7 SER CA C 369 58.583 56.659 1.924 1
1 51 . 8 1 1 A 7 7 SER CB C 369 63.973 64.886 -0.913 1
1 52 . 8 1 1 A 7 7 SER N N 369 115.885 116.843 -0.958 1
1 53 . 8 1 1 A 8 8 GLU H H 370 8.630 9.035 -0.405 1
1 54 . 8 1 1 A 8 8 GLU HA H 370 4.330 4.680 -0.350 1
1 59 . 8 1 1 A 8 8 GLU CA C 370 57.138 55.599 1.539 1
1 60 . 8 1 1 A 8 8 GLU CB C 370 29.984 30.126 -0.142 1
1 62 . 8 1 1 A 8 8 GLU N N 370 122.682 127.165 -4.483 1
1 63 . 8 1 1 A 9 9 GLY H H 371 8.394 8.673 -0.279 1
1 64 . 8 1 1 A 9 9 GLY HA2 H 371 3.976 4.203 -0.227 1
1 65 . 8 1 1 A 9 9 GLY HA3 H 371 3.976 4.205 -0.229 1
1 66 . 8 1 1 A 9 9 GLY CA C 371 45.469 45.811 -0.342 1
1 67 . 8 1 1 A 9 9 GLY N N 371 109.245 109.285 -0.040 1
1 68 . 8 1 1 A 10 10 ASN H H 372 8.283 7.993 0.290 1
1 69 . 8 1 1 A 10 10 ASN HA H 372 4.732 5.033 -0.301 1
1 74 . 8 1 1 A 10 10 ASN CA C 372 53.263 54.149 -0.886 1
1 75 . 8 1 1 A 10 10 ASN CB C 372 38.961 41.429 -2.468 1
1 76 . 8 1 1 A 10 10 ASN N N 372 118.662 116.561 2.101 1
1 78 . 8 1 1 A 11 11 LYS H H 373 8.264 7.653 0.611 1
1 79 . 8 1 1 A 11 11 LYS HA H 373 4.360 4.528 -0.168 1
1 88 . 8 1 1 A 11 11 LYS CA C 373 56.413 55.324 1.089 1
1 89 . 8 1 1 A 11 11 LYS CB C 373 33.054 33.130 -0.076 1
1 93 . 8 1 1 A 11 11 LYS N N 373 121.729 116.815 4.914 1
1 94 . 8 1 1 A 12 12 VAL H H 374 8.114 8.237 -0.123 1
1 95 . 8 1 1 A 12 12 VAL HA H 374 4.086 4.731 -0.645 1
1 103 . 8 1 1 A 12 12 VAL CA C 374 62.169 60.151 2.018 1
1 104 . 8 1 1 A 12 12 VAL CB C 374 32.862 36.101 -3.239 1
1 107 . 8 1 1 A 12 12 VAL N N 374 121.704 122.355 -0.651 1
1 108 . 8 1 1 A 13 13 LYS H H 375 8.415 8.475 -0.060 1
1 109 . 8 1 1 A 13 13 LYS HA H 375 4.383 4.574 -0.191 1
1 118 . 8 1 1 A 13 13 LYS CA C 375 55.989 55.520 0.469 1
1 119 . 8 1 1 A 13 13 LYS CB C 375 33.159 32.131 1.028 1
1 123 . 8 1 1 A 13 13 LYS N N 375 126.419 125.167 1.252 1
1 124 . 8 1 1 A 14 14 ARG H H 376 8.753 7.846 0.907 1
1 125 . 8 1 1 A 14 14 ARG HA H 376 4.363 4.246 0.117 1
1 132 . 8 1 1 A 14 14 ARG CA C 376 56.293 56.919 -0.626 1
1 133 . 8 1 1 A 14 14 ARG CB C 376 32.331 30.975 1.356 1
1 136 . 8 1 1 A 14 14 ARG N N 376 123.397 124.658 -1.261 1
1 137 . 8 1 1 A 15 15 THR H H 377 8.081 8.261 -0.180 1
1 138 . 8 1 1 A 15 15 THR HA H 377 4.398 4.347 0.051 1
1 143 . 8 1 1 A 15 15 THR CA C 377 61.533 61.976 -0.443 1
1 144 . 8 1 1 A 15 15 THR CB C 377 70.409 69.573 0.836 1
1 146 . 8 1 1 A 15 15 THR N N 377 117.600 117.710 -0.110 1
1 147 . 8 1 1 A 16 16 SER H H 378 8.614 8.449 0.165 1
1 148 . 8 1 1 A 16 16 SER HA H 378 4.853 4.391 0.462 1
1 151 . 8 1 1 A 16 16 SER CA C 378 59.098 58.750 0.348 1
1 152 . 8 1 1 A 16 16 SER CB C 378 63.763 63.425 0.338 1
1 153 . 8 1 1 A 16 16 SER N N 378 121.120 122.334 -1.214 1
1 154 . 8 1 1 A 17 17 CYS H H 379 9.252 8.514 0.738 1
1 155 . 8 1 1 A 17 17 CYS HA H 379 3.994 4.709 -0.715 1
1 158 . 8 1 1 A 17 17 CYS CA C 379 60.962 59.267 1.695 1
1 159 . 8 1 1 A 17 17 CYS CB C 379 29.581 28.358 1.223 1
1 160 . 8 1 1 A 17 17 CYS N N 379 127.790 124.588 3.202 1
1 161 . 8 1 1 A 18 18 MET H H 380 8.831 8.672 0.159 1
1 162 . 8 1 1 A 18 18 MET HA H 380 4.212 4.151 0.061 1
1 170 . 8 1 1 A 18 18 MET CA C 380 58.209 58.092 0.117 1
1 171 . 8 1 1 A 18 18 MET CB C 380 31.936 31.847 0.089 1
1 174 . 8 1 1 A 18 18 MET N N 380 130.017 125.386 4.631 1
1 175 . 8 1 1 A 19 19 TYR H H 381 8.701 7.765 0.936 1
1 176 . 8 1 1 A 19 19 TYR HA H 381 4.579 4.644 -0.065 1
1 183 . 8 1 1 A 19 19 TYR CA C 381 58.762 58.360 0.402 1
1 184 . 8 1 1 A 19 19 TYR CB C 381 37.595 38.842 -1.247 1
1 189 . 8 1 1 A 19 19 TYR N N 381 120.369 117.195 3.174 1
1 190 . 8 1 1 A 20 20 GLY H H 382 7.760 8.267 -0.507 1
1 191 . 8 1 1 A 20 20 GLY HA2 H 382 3.710 4.033 -0.323 1
1 192 . 8 1 1 A 20 20 GLY HA3 H 382 4.085 4.112 -0.027 1
1 193 . 8 1 1 A 20 20 GLY CA C 382 47.627 47.534 0.093 1
1 194 . 8 1 1 A 20 20 GLY N N 382 107.481 108.601 -1.120 1
1 195 . 8 1 1 A 21 21 ALA H H 383 9.248 8.506 0.742 1
1 196 . 8 1 1 A 21 21 ALA HA H 383 4.354 4.410 -0.056 1
1 200 . 8 1 1 A 21 21 ALA CA C 383 53.398 52.270 1.128 1
1 201 . 8 1 1 A 21 21 ALA CB C 383 18.808 19.809 -1.001 1
1 202 . 8 1 1 A 21 21 ALA N N 383 128.449 129.285 -0.836 1
1 203 . 8 1 1 A 22 22 ASN H H 384 8.261 7.917 0.344 1
1 204 . 8 1 1 A 22 22 ASN HA H 384 4.944 4.999 -0.055 1
1 209 . 8 1 1 A 22 22 ASN CA C 384 52.140 53.180 -1.040 1
1 210 . 8 1 1 A 22 22 ASN CB C 384 38.940 39.694 -0.754 1
1 211 . 8 1 1 A 22 22 ASN N N 384 115.516 115.268 0.248 1
1 213 . 8 1 1 A 23 23 CYS H H 385 7.174 7.708 -0.534 1
1 214 . 8 1 1 A 23 23 CYS HA H 385 3.736 4.039 -0.303 1
1 217 . 8 1 1 A 23 23 CYS CA C 385 61.867 60.060 1.807 1
1 218 . 8 1 1 A 23 23 CYS CB C 385 29.434 28.421 1.013 1
1 219 . 8 1 1 A 23 23 CYS N N 385 121.580 120.418 1.162 1
1 220 . 8 1 1 A 24 24 TYR H H 386 7.680 8.075 -0.395 1
1 221 . 8 1 1 A 24 24 TYR HA H 386 4.858 4.631 0.227 1
1 228 . 8 1 1 A 24 24 TYR CA C 386 56.348 57.525 -1.177 1
1 229 . 8 1 1 A 24 24 TYR CB C 386 38.216 39.728 -1.512 1
1 234 . 8 1 1 A 24 24 TYR N N 386 126.676 122.884 3.792 1
1 235 . 8 1 1 A 25 25 ARG H H 387 7.988 6.077 1.911 1
1 236 . 8 1 1 A 25 25 ARG HA H 387 4.054 4.119 -0.065 1
1 243 . 8 1 1 A 25 25 ARG CA C 387 56.282 55.804 0.478 1
1 244 . 8 1 1 A 25 25 ARG CB C 387 29.894 30.005 -0.111 1
1 247 . 8 1 1 A 25 25 ARG N N 387 123.491 119.441 4.050 1
1 248 . 8 1 1 A 26 26 LYS H H 388 8.951 8.844 0.107 1
1 249 . 8 1 1 A 26 26 LYS HA H 388 4.635 4.757 -0.122 1
1 258 . 8 1 1 A 26 26 LYS CA C 388 55.605 55.175 0.430 1
1 259 . 8 1 1 A 26 26 LYS CB C 388 34.387 32.481 1.906 1
1 263 . 8 1 1 A 26 26 LYS N N 388 118.569 119.339 -0.770 1
1 264 . 8 1 1 A 27 27 ASN H H 389 8.400 8.133 0.267 1
1 265 . 8 1 1 A 27 27 ASN HA H 389 4.950 5.233 -0.283 1
1 270 . 8 1 1 A 27 27 ASN CA C 389 51.827 49.669 2.158 1
1 271 . 8 1 1 A 27 27 ASN CB C 389 39.171 39.840 -0.669 1
1 272 . 8 1 1 A 27 27 ASN N N 389 122.702 122.056 0.646 1
1 274 . 8 1 1 A 28 28 PRO HA H 390 4.595 4.568 0.027 1
1 281 . 8 1 1 A 28 28 PRO CA C 390 65.632 66.392 -0.760 1
1 282 . 8 1 1 A 28 28 PRO CB C 390 32.574 31.415 1.159 1
1 285 . 8 1 1 A 29 29 VAL H H 391 8.337 7.894 0.443 1
1 286 . 8 1 1 A 29 29 VAL HA H 391 3.818 4.092 -0.274 1
1 294 . 8 1 1 A 29 29 VAL CA C 391 65.608 65.665 -0.057 1
1 295 . 8 1 1 A 29 29 VAL CB C 391 31.546 31.595 -0.049 1
1 298 . 8 1 1 A 29 29 VAL N N 391 117.431 115.938 1.493 1
1 299 . 8 1 1 A 30 30 HIS H H 392 8.037 8.130 -0.093 1
1 300 . 8 1 1 A 30 30 HIS HA H 392 4.565 4.219 0.346 1
1 305 . 8 1 1 A 30 30 HIS CA C 392 60.297 58.912 1.385 1
1 306 . 8 1 1 A 30 30 HIS CB C 392 27.700 29.390 -1.690 1
1 309 . 8 1 1 A 30 30 HIS N N 392 120.267 119.844 0.423 1
1 310 . 8 1 1 A 31 31 PHE H H 393 7.059 8.750 -1.691 1
1 311 . 8 1 1 A 31 31 PHE HA H 393 4.465 4.403 0.062 1
1 319 . 8 1 1 A 31 31 PHE CA C 393 59.951 61.669 -1.718 1
1 320 . 8 1 1 A 31 31 PHE CB C 393 38.577 38.240 0.337 1
1 326 . 8 1 1 A 31 31 PHE N N 393 114.802 117.583 -2.781 1
1 327 . 8 1 1 A 32 32 GLN H H 394 7.671 8.208 -0.537 1
1 328 . 8 1 1 A 32 32 GLN HA H 394 4.261 4.352 -0.091 1
1 335 . 8 1 1 A 32 32 GLN CA C 394 57.393 58.652 -1.259 1
1 336 . 8 1 1 A 32 32 GLN CB C 394 28.710 28.697 0.013 1
1 338 . 8 1 1 A 32 32 GLN N N 394 117.129 119.269 -2.140 1
1 340 . 8 1 1 A 33 33 HIS H H 395 7.581 7.588 -0.007 1
1 341 . 8 1 1 A 33 33 HIS HA H 395 4.498 4.316 0.182 1
1 346 . 8 1 1 A 33 33 HIS CA C 395 56.467 57.429 -0.962 1
1 347 . 8 1 1 A 33 33 HIS CB C 395 31.398 31.390 0.008 1
1 350 . 8 1 1 A 33 33 HIS N N 395 115.481 114.229 1.252 1
1 351 . 8 1 1 A 34 34 PHE H H 396 8.044 7.975 0.069 1
1 352 . 8 1 1 A 34 34 PHE HA H 396 5.398 5.176 0.222 1
1 360 . 8 1 1 A 34 34 PHE CA C 396 56.318 55.922 0.396 1
1 361 . 8 1 1 A 34 34 PHE CB C 396 41.617 41.444 0.173 1
1 367 . 8 1 1 A 34 34 PHE N N 396 117.547 116.255 1.292 1
1 368 . 8 1 1 A 35 35 SER H H 397 8.603 9.555 -0.952 1
1 369 . 8 1 1 A 35 35 SER HA H 397 4.769 5.173 -0.404 1
1 372 . 8 1 1 A 35 35 SER CA C 397 56.350 56.551 -0.201 1
1 373 . 8 1 1 A 35 35 SER CB C 397 65.912 65.618 0.294 1
1 374 . 8 1 1 A 35 35 SER N N 397 114.732 117.645 -2.913 1
1 375 . 8 1 1 A 36 36 HIS H H 398 9.538 8.858 0.680 1
1 376 . 8 1 1 A 36 36 HIS HA H 398 4.572 5.087 -0.515 1
1 381 . 8 1 1 A 36 36 HIS CA C 398 56.432 53.850 2.582 1
1 382 . 8 1 1 A 36 36 HIS CB C 398 29.935 33.088 -3.153 1
1 385 . 8 1 1 A 36 36 HIS N N 398 120.612 119.548 1.064 1
1 386 . 8 1 1 A 37 37 PRO HA H 399 3.457 3.062 0.395 1
1 393 . 8 1 1 A 37 37 PRO CA C 399 64.278 63.034 1.244 1
1 394 . 8 1 1 A 37 37 PRO CB C 399 30.979 30.984 -0.005 1
1 397 . 8 1 1 A 38 38 GLY H H 400 8.832 8.712 0.120 1
1 398 . 8 1 1 A 38 38 GLY HA2 H 400 3.593 3.808 -0.215 1
1 399 . 8 1 1 A 38 38 GLY HA3 H 400 4.522 3.820 0.702 1
1 400 . 8 1 1 A 38 38 GLY CA C 400 44.843 45.098 -0.255 1
1 401 . 8 1 1 A 38 38 GLY N N 400 115.162 112.180 2.982 1
1 402 . 8 1 1 A 39 39 ASP H H 401 8.505 7.590 0.915 1
1 403 . 8 1 1 A 39 39 ASP HA H 401 4.938 4.906 0.032 1
1 406 . 8 1 1 A 39 39 ASP CA C 401 54.320 53.273 1.047 1
1 407 . 8 1 1 A 39 39 ASP CB C 401 41.893 42.650 -0.757 1
1 408 . 8 1 1 A 39 39 ASP N N 401 121.905 121.263 0.642 1
1 409 . 8 1 1 A 40 40 SER H H 402 9.378 9.094 0.284 1
1 410 . 8 1 1 A 40 40 SER HA H 402 4.281 4.150 0.131 1
1 413 . 8 1 1 A 40 40 SER CA C 402 61.078 61.367 -0.289 1
1 414 . 8 1 1 A 40 40 SER CB C 402 62.829 62.829 0.000 1
1 415 . 8 1 1 A 40 40 SER N N 402 119.493 118.323 1.170 1
1 416 . 8 1 1 A 41 41 ASP H H 403 8.924 7.994 0.930 1
1 417 . 8 1 1 A 41 41 ASP HA H 403 4.697 4.835 -0.138 1
1 420 . 8 1 1 A 41 41 ASP CA C 403 52.287 53.753 -1.466 1
1 421 . 8 1 1 A 41 41 ASP CB C 403 39.077 41.454 -2.377 1
1 422 . 8 1 1 A 41 41 ASP N N 403 116.599 117.969 -1.370 1
1 423 . 8 1 1 A 42 42 TYR H H 404 7.427 7.885 -0.458 1
1 424 . 8 1 1 A 42 42 TYR HA H 404 4.452 4.347 0.105 1
1 431 . 8 1 1 A 42 42 TYR CA C 404 59.218 59.505 -0.287 1
1 432 . 8 1 1 A 42 42 TYR CB C 404 39.543 39.141 0.402 1
1 437 . 8 1 1 A 42 42 TYR N N 404 122.560 123.160 -0.600 1
1 438 . 8 1 1 A 43 43 GLY H H 405 7.715 8.465 -0.750 1
1 439 . 8 1 1 A 43 43 GLY HA2 H 405 3.743 3.826 -0.083 1
1 440 . 8 1 1 A 43 43 GLY HA3 H 405 3.704 3.872 -0.168 1
1 441 . 8 1 1 A 43 43 GLY CA C 405 45.100 45.206 -0.106 1
1 442 . 8 1 1 A 43 43 GLY N N 405 114.997 113.243 1.754 1
1 443 . 8 1 1 A 44 44 GLY H H 406 7.088 6.525 0.563 1
1 444 . 8 1 1 A 44 44 GLY HA2 H 406 3.887 3.652 0.235 1
1 445 . 8 1 1 A 44 44 GLY HA3 H 406 3.887 3.825 0.062 1
1 446 . 8 1 1 A 44 44 GLY CA C 406 45.011 44.343 0.668 1
1 447 . 8 1 1 A 44 44 GLY N N 406 107.744 106.058 1.686 1
1 448 . 8 1 1 A 45 45 VAL H H 407 8.064 8.209 -0.145 1
1 449 . 8 1 1 A 45 45 VAL HA H 407 4.147 4.598 -0.451 1
1 457 . 8 1 1 A 45 45 VAL CA C 407 62.222 61.925 0.297 1
1 458 . 8 1 1 A 45 45 VAL CB C 407 32.899 33.718 -0.819 1
1 461 . 8 1 1 A 45 45 VAL N N 407 119.029 122.653 -3.624 1
1 462 . 8 1 1 A 46 46 GLN H H 408 8.506 8.961 -0.455 1
1 463 . 8 1 1 A 46 46 GLN HA H 408 4.433 5.022 -0.589 1
1 470 . 8 1 1 A 46 46 GLN CA C 408 55.631 54.975 0.656 1
1 471 . 8 1 1 A 46 46 GLN CB C 408 29.682 29.308 0.374 1
1 473 . 8 1 1 A 46 46 GLN N N 408 124.737 124.018 0.719 1
1 475 . 8 1 1 A 47 47 ILE H H 409 8.330 8.791 -0.461 1
1 476 . 8 1 1 A 47 47 ILE HA H 409 4.237 4.456 -0.219 1
1 486 . 8 1 1 A 47 47 ILE CA C 409 60.885 60.627 0.258 1
1 487 . 8 1 1 A 47 47 ILE CB C 409 38.690 36.068 2.622 1
1 491 . 8 1 1 A 47 47 ILE N N 409 123.582 126.220 -2.638 1
1 492 . 8 1 1 A 48 48 VAL H H 410 8.298 8.588 -0.290 1
1 493 . 8 1 1 A 48 48 VAL HA H 410 4.183 4.377 -0.194 1
1 501 . 8 1 1 A 48 48 VAL CA C 410 62.351 61.001 1.350 1
1 502 . 8 1 1 A 48 48 VAL CB C 410 32.841 32.425 0.416 1
1 505 . 8 1 1 A 48 48 VAL N N 410 125.073 128.015 -2.942 1
1 506 . 8 1 1 A 49 49 GLY H H 411 8.609 8.082 0.527 1
1 507 . 8 1 1 A 49 49 GLY HA2 H 411 4.032 4.008 0.024 1
1 508 . 8 1 1 A 49 49 GLY HA3 H 411 4.008 4.014 -0.006 1
1 509 . 8 1 1 A 49 49 GLY CA C 411 45.281 46.466 -1.185 1
1 510 . 8 1 1 A 49 49 GLY N N 411 113.133 114.779 -1.646 1
1 511 . 8 1 1 A 50 50 GLN H H 412 8.317 8.293 0.024 1
1 512 . 8 1 1 A 50 50 GLN HA H 412 4.403 4.030 0.373 1
1 519 . 8 1 1 A 50 50 GLN CA C 412 55.872 58.883 -3.011 1
1 520 . 8 1 1 A 50 50 GLN CB C 412 29.678 28.810 0.868 1
1 522 . 8 1 1 A 50 50 GLN N N 412 119.972 118.343 1.629 1
1 524 . 8 1 1 A 51 51 ASP H H 413 8.533 7.745 0.788 1
1 525 . 8 1 1 A 51 51 ASP HA H 413 4.646 4.862 -0.216 1
1 528 . 8 1 1 A 51 51 ASP CA C 413 54.459 52.974 1.485 1
1 529 . 8 1 1 A 51 51 ASP CB C 413 41.215 41.711 -0.496 1
1 530 . 8 1 1 A 51 51 ASP N N 413 121.378 116.891 4.487 1
1 531 . 8 1 1 A 52 52 GLU H H 414 8.457 8.120 0.337 1
1 532 . 8 1 1 A 52 52 GLU HA H 414 4.392 3.885 0.507 1
1 537 . 8 1 1 A 52 52 GLU CA C 414 56.700 57.449 -0.749 1
1 538 . 8 1 1 A 52 52 GLU CB C 414 30.238 27.212 3.026 1
1 540 . 8 1 1 A 52 52 GLU N N 414 121.491 115.379 6.112 1
1 541 . 8 1 1 A 53 53 THR H H 415 8.263 7.857 0.406 1
1 542 . 8 1 1 A 53 53 THR HA H 415 4.306 4.640 -0.334 1
1 547 . 8 1 1 A 53 53 THR CA C 415 62.113 60.657 1.456 1
1 548 . 8 1 1 A 53 53 THR CB C 415 69.912 69.270 0.642 1
1 550 . 8 1 1 A 53 53 THR N N 415 114.960 113.663 1.297 1
1 551 . 8 1 1 A 54 54 ASP H H 416 8.279 8.482 -0.203 1
1 552 . 8 1 1 A 54 54 ASP HA H 416 4.661 4.969 -0.308 1
1 555 . 8 1 1 A 54 54 ASP CA C 416 53.775 53.820 -0.045 1
1 556 . 8 1 1 A 54 54 ASP CB C 416 41.188 41.499 -0.311 1
1 557 . 8 1 1 A 54 54 ASP N N 416 123.335 126.349 -3.014 1
1 1 . 9 1 1 A 2 2 PRO HA H 364 4.519 4.791 -0.272 1
1 8 . 9 1 1 A 2 2 PRO CA C 364 63.238 62.878 0.360 1
1 9 . 9 1 1 A 2 2 PRO CB C 364 32.338 31.854 0.484 1
1 12 . 9 1 1 A 3 3 LEU H H 365 8.557 8.677 -0.120 1
1 13 . 9 1 1 A 3 3 LEU HA H 365 4.406 4.748 -0.342 1
1 23 . 9 1 1 A 3 3 LEU CA C 365 55.436 54.084 1.352 1
1 24 . 9 1 1 A 3 3 LEU CB C 365 42.304 43.473 -1.169 1
1 28 . 9 1 1 A 3 3 LEU N N 365 122.297 123.899 -1.602 1
1 29 . 9 1 1 A 4 4 GLY H H 366 8.443 8.976 -0.533 1
1 30 . 9 1 1 A 4 4 GLY HA2 H 366 4.040 4.322 -0.282 1
1 31 . 9 1 1 A 4 4 GLY HA3 H 366 4.056 4.335 -0.279 1
1 32 . 9 1 1 A 4 4 GLY CA C 366 45.361 44.028 1.333 1
1 33 . 9 1 1 A 4 4 GLY N N 366 110.040 112.732 -2.692 1
1 34 . 9 1 1 A 5 5 SER H H 367 8.374 8.160 0.214 1
1 35 . 9 1 1 A 5 5 SER HA H 367 4.521 4.619 -0.098 1
1 38 . 9 1 1 A 5 5 SER CA C 367 58.573 56.919 1.654 1
1 39 . 9 1 1 A 5 5 SER CB C 367 64.058 63.218 0.840 1
1 40 . 9 1 1 A 5 5 SER N N 367 116.007 114.009 1.998 1
1 41 . 9 1 1 A 6 6 GLY H H 368 8.639 8.042 0.597 1
1 42 . 9 1 1 A 6 6 GLY HA2 H 368 4.095 3.825 0.270 1
1 43 . 9 1 1 A 6 6 GLY HA3 H 368 4.067 3.829 0.238 1
1 44 . 9 1 1 A 6 6 GLY CA C 368 45.494 45.692 -0.198 1
1 45 . 9 1 1 A 6 6 GLY N N 368 111.362 111.741 -0.379 1
1 46 . 9 1 1 A 7 7 SER H H 369 8.313 8.197 0.116 1
1 47 . 9 1 1 A 7 7 SER HA H 369 4.516 5.315 -0.799 1
1 50 . 9 1 1 A 7 7 SER CA C 369 58.583 56.938 1.645 1
1 51 . 9 1 1 A 7 7 SER CB C 369 63.973 64.962 -0.989 1
1 52 . 9 1 1 A 7 7 SER N N 369 115.885 115.392 0.493 1
1 53 . 9 1 1 A 8 8 GLU H H 370 8.630 8.899 -0.269 1
1 54 . 9 1 1 A 8 8 GLU HA H 370 4.330 5.078 -0.748 1
1 59 . 9 1 1 A 8 8 GLU CA C 370 57.138 55.038 2.100 1
1 60 . 9 1 1 A 8 8 GLU CB C 370 29.984 32.918 -2.934 1
1 62 . 9 1 1 A 8 8 GLU N N 370 122.682 122.886 -0.204 1
1 63 . 9 1 1 A 9 9 GLY H H 371 8.394 8.535 -0.141 1
1 64 . 9 1 1 A 9 9 GLY HA2 H 371 3.976 4.263 -0.287 1
1 65 . 9 1 1 A 9 9 GLY HA3 H 371 3.976 4.266 -0.290 1
1 66 . 9 1 1 A 9 9 GLY CA C 371 45.469 45.736 -0.267 1
1 67 . 9 1 1 A 9 9 GLY N N 371 109.245 113.110 -3.865 1
1 68 . 9 1 1 A 10 10 ASN H H 372 8.283 8.078 0.205 1
1 69 . 9 1 1 A 10 10 ASN HA H 372 4.732 5.013 -0.281 1
1 74 . 9 1 1 A 10 10 ASN CA C 372 53.263 54.097 -0.834 1
1 75 . 9 1 1 A 10 10 ASN CB C 372 38.961 41.093 -2.132 1
1 76 . 9 1 1 A 10 10 ASN N N 372 118.662 116.182 2.480 1
1 78 . 9 1 1 A 11 11 LYS H H 373 8.264 7.981 0.283 1
1 79 . 9 1 1 A 11 11 LYS HA H 373 4.360 4.580 -0.220 1
1 88 . 9 1 1 A 11 11 LYS CA C 373 56.413 55.821 0.592 1
1 89 . 9 1 1 A 11 11 LYS CB C 373 33.054 32.591 0.463 1
1 93 . 9 1 1 A 11 11 LYS N N 373 121.729 118.027 3.702 1
1 94 . 9 1 1 A 12 12 VAL H H 374 8.114 8.456 -0.342 1
1 95 . 9 1 1 A 12 12 VAL HA H 374 4.086 4.910 -0.824 1
1 103 . 9 1 1 A 12 12 VAL CA C 374 62.169 59.351 2.818 1
1 104 . 9 1 1 A 12 12 VAL CB C 374 32.862 35.773 -2.911 1
1 107 . 9 1 1 A 12 12 VAL N N 374 121.704 123.710 -2.006 1
1 108 . 9 1 1 A 13 13 LYS H H 375 8.415 8.401 0.014 1
1 109 . 9 1 1 A 13 13 LYS HA H 375 4.383 4.488 -0.105 1
1 118 . 9 1 1 A 13 13 LYS CA C 375 55.989 55.402 0.587 1
1 119 . 9 1 1 A 13 13 LYS CB C 375 33.159 31.610 1.549 1
1 123 . 9 1 1 A 13 13 LYS N N 375 126.419 125.143 1.276 1
1 124 . 9 1 1 A 14 14 ARG H H 376 8.753 8.028 0.725 1
1 125 . 9 1 1 A 14 14 ARG HA H 376 4.363 4.219 0.144 1
1 132 . 9 1 1 A 14 14 ARG CA C 376 56.293 56.825 -0.532 1
1 133 . 9 1 1 A 14 14 ARG CB C 376 32.331 30.890 1.441 1
1 136 . 9 1 1 A 14 14 ARG N N 376 123.397 124.379 -0.982 1
1 137 . 9 1 1 A 15 15 THR H H 377 8.081 8.404 -0.323 1
1 138 . 9 1 1 A 15 15 THR HA H 377 4.398 4.257 0.141 1
1 143 . 9 1 1 A 15 15 THR CA C 377 61.533 62.836 -1.303 1
1 144 . 9 1 1 A 15 15 THR CB C 377 70.409 69.026 1.383 1
1 146 . 9 1 1 A 15 15 THR N N 377 117.600 116.872 0.728 1
1 147 . 9 1 1 A 16 16 SER H H 378 8.614 8.518 0.096 1
1 148 . 9 1 1 A 16 16 SER HA H 378 4.853 4.425 0.428 1
1 151 . 9 1 1 A 16 16 SER CA C 378 59.098 58.338 0.760 1
1 152 . 9 1 1 A 16 16 SER CB C 378 63.763 64.354 -0.591 1
1 153 . 9 1 1 A 16 16 SER N N 378 121.120 120.111 1.009 1
1 154 . 9 1 1 A 17 17 CYS H H 379 9.252 8.240 1.012 1
1 155 . 9 1 1 A 17 17 CYS HA H 379 3.994 4.753 -0.759 1
1 158 . 9 1 1 A 17 17 CYS CA C 379 60.962 58.889 2.073 1
1 159 . 9 1 1 A 17 17 CYS CB C 379 29.581 28.697 0.884 1
1 160 . 9 1 1 A 17 17 CYS N N 379 127.790 122.857 4.933 1
1 161 . 9 1 1 A 18 18 MET H H 380 8.831 8.981 -0.150 1
1 162 . 9 1 1 A 18 18 MET HA H 380 4.212 4.125 0.087 1
1 170 . 9 1 1 A 18 18 MET CA C 380 58.209 58.376 -0.167 1
1 171 . 9 1 1 A 18 18 MET CB C 380 31.936 31.788 0.148 1
1 174 . 9 1 1 A 18 18 MET N N 380 130.017 124.713 5.304 1
1 175 . 9 1 1 A 19 19 TYR H H 381 8.701 7.856 0.845 1
1 176 . 9 1 1 A 19 19 TYR HA H 381 4.579 4.512 0.067 1
1 183 . 9 1 1 A 19 19 TYR CA C 381 58.762 59.933 -1.171 1
1 184 . 9 1 1 A 19 19 TYR CB C 381 37.595 38.742 -1.147 1
1 189 . 9 1 1 A 19 19 TYR N N 381 120.369 118.554 1.815 1
1 190 . 9 1 1 A 20 20 GLY H H 382 7.760 8.288 -0.528 1
1 191 . 9 1 1 A 20 20 GLY HA2 H 382 3.710 3.989 -0.279 1
1 192 . 9 1 1 A 20 20 GLY HA3 H 382 4.085 4.028 0.057 1
1 193 . 9 1 1 A 20 20 GLY CA C 382 47.627 47.400 0.227 1
1 194 . 9 1 1 A 20 20 GLY N N 382 107.481 108.337 -0.856 1
1 195 . 9 1 1 A 21 21 ALA H H 383 9.248 8.298 0.950 1
1 196 . 9 1 1 A 21 21 ALA HA H 383 4.354 4.374 -0.020 1
1 200 . 9 1 1 A 21 21 ALA CA C 383 53.398 52.282 1.116 1
1 201 . 9 1 1 A 21 21 ALA CB C 383 18.808 19.745 -0.937 1
1 202 . 9 1 1 A 21 21 ALA N N 383 128.449 129.238 -0.789 1
1 203 . 9 1 1 A 22 22 ASN H H 384 8.261 7.803 0.458 1
1 204 . 9 1 1 A 22 22 ASN HA H 384 4.944 5.013 -0.069 1
1 209 . 9 1 1 A 22 22 ASN CA C 384 52.140 53.071 -0.931 1
1 210 . 9 1 1 A 22 22 ASN CB C 384 38.940 39.842 -0.902 1
1 211 . 9 1 1 A 22 22 ASN N N 384 115.516 115.276 0.240 1
1 213 . 9 1 1 A 23 23 CYS H H 385 7.174 7.637 -0.463 1
1 214 . 9 1 1 A 23 23 CYS HA H 385 3.736 3.853 -0.117 1
1 217 . 9 1 1 A 23 23 CYS CA C 385 61.867 59.858 2.009 1
1 218 . 9 1 1 A 23 23 CYS CB C 385 29.434 28.347 1.087 1
1 219 . 9 1 1 A 23 23 CYS N N 385 121.580 120.389 1.191 1
1 220 . 9 1 1 A 24 24 TYR H H 386 7.680 7.930 -0.250 1
1 221 . 9 1 1 A 24 24 TYR HA H 386 4.858 4.569 0.289 1
1 228 . 9 1 1 A 24 24 TYR CA C 386 56.348 57.729 -1.381 1
1 229 . 9 1 1 A 24 24 TYR CB C 386 38.216 39.672 -1.456 1
1 234 . 9 1 1 A 24 24 TYR N N 386 126.676 123.101 3.575 1
1 235 . 9 1 1 A 25 25 ARG H H 387 7.988 6.091 1.897 1
1 236 . 9 1 1 A 25 25 ARG HA H 387 4.054 4.146 -0.092 1
1 243 . 9 1 1 A 25 25 ARG CA C 387 56.282 55.855 0.427 1
1 244 . 9 1 1 A 25 25 ARG CB C 387 29.894 30.125 -0.231 1
1 247 . 9 1 1 A 25 25 ARG N N 387 123.491 119.597 3.894 1
1 248 . 9 1 1 A 26 26 LYS H H 388 8.951 8.735 0.216 1
1 249 . 9 1 1 A 26 26 LYS HA H 388 4.635 4.624 0.011 1
1 258 . 9 1 1 A 26 26 LYS CA C 388 55.605 55.404 0.201 1
1 259 . 9 1 1 A 26 26 LYS CB C 388 34.387 32.405 1.982 1
1 263 . 9 1 1 A 26 26 LYS N N 388 118.569 118.326 0.243 1
1 264 . 9 1 1 A 27 27 ASN H H 389 8.400 7.887 0.513 1
1 265 . 9 1 1 A 27 27 ASN HA H 389 4.950 5.173 -0.223 1
1 270 . 9 1 1 A 27 27 ASN CA C 389 51.827 49.773 2.054 1
1 271 . 9 1 1 A 27 27 ASN CB C 389 39.171 40.468 -1.297 1
1 272 . 9 1 1 A 27 27 ASN N N 389 122.702 119.836 2.866 1
1 274 . 9 1 1 A 28 28 PRO HA H 390 4.595 4.319 0.276 1
1 281 . 9 1 1 A 28 28 PRO CA C 390 65.632 66.014 -0.382 1
1 282 . 9 1 1 A 28 28 PRO CB C 390 32.574 31.611 0.963 1
1 285 . 9 1 1 A 29 29 VAL H H 391 8.337 7.866 0.471 1
1 286 . 9 1 1 A 29 29 VAL HA H 391 3.818 4.099 -0.281 1
1 294 . 9 1 1 A 29 29 VAL CA C 391 65.608 64.857 0.751 1
1 295 . 9 1 1 A 29 29 VAL CB C 391 31.546 31.231 0.315 1
1 298 . 9 1 1 A 29 29 VAL N N 391 117.431 116.898 0.533 1
1 299 . 9 1 1 A 30 30 HIS H H 392 8.037 8.173 -0.136 1
1 300 . 9 1 1 A 30 30 HIS HA H 392 4.565 4.235 0.330 1
1 305 . 9 1 1 A 30 30 HIS CA C 392 60.297 58.988 1.309 1
1 306 . 9 1 1 A 30 30 HIS CB C 392 27.700 29.584 -1.884 1
1 309 . 9 1 1 A 30 30 HIS N N 392 120.267 121.001 -0.734 1
1 310 . 9 1 1 A 31 31 PHE H H 393 7.059 8.714 -1.655 1
1 311 . 9 1 1 A 31 31 PHE HA H 393 4.465 4.355 0.110 1
1 319 . 9 1 1 A 31 31 PHE CA C 393 59.951 61.695 -1.744 1
1 320 . 9 1 1 A 31 31 PHE CB C 393 38.577 38.344 0.233 1
1 326 . 9 1 1 A 31 31 PHE N N 393 114.802 117.786 -2.984 1
1 327 . 9 1 1 A 32 32 GLN H H 394 7.671 7.711 -0.040 1
1 328 . 9 1 1 A 32 32 GLN HA H 394 4.261 4.333 -0.072 1
1 335 . 9 1 1 A 32 32 GLN CA C 394 57.393 58.725 -1.332 1
1 336 . 9 1 1 A 32 32 GLN CB C 394 28.710 28.655 0.055 1
1 338 . 9 1 1 A 32 32 GLN N N 394 117.129 119.130 -2.001 1
1 340 . 9 1 1 A 33 33 HIS H H 395 7.581 7.431 0.150 1
1 341 . 9 1 1 A 33 33 HIS HA H 395 4.498 4.256 0.242 1
1 346 . 9 1 1 A 33 33 HIS CA C 395 56.467 57.613 -1.146 1
1 347 . 9 1 1 A 33 33 HIS CB C 395 31.398 30.947 0.451 1
1 350 . 9 1 1 A 33 33 HIS N N 395 115.481 114.824 0.657 1
1 351 . 9 1 1 A 34 34 PHE H H 396 8.044 7.900 0.144 1
1 352 . 9 1 1 A 34 34 PHE HA H 396 5.398 5.241 0.157 1
1 360 . 9 1 1 A 34 34 PHE CA C 396 56.318 55.578 0.740 1
1 361 . 9 1 1 A 34 34 PHE CB C 396 41.617 41.908 -0.291 1
1 367 . 9 1 1 A 34 34 PHE N N 396 117.547 116.232 1.315 1
1 368 . 9 1 1 A 35 35 SER H H 397 8.603 9.426 -0.823 1
1 369 . 9 1 1 A 35 35 SER HA H 397 4.769 4.930 -0.161 1
1 372 . 9 1 1 A 35 35 SER CA C 397 56.350 57.191 -0.841 1
1 373 . 9 1 1 A 35 35 SER CB C 397 65.912 65.024 0.888 1
1 374 . 9 1 1 A 35 35 SER N N 397 114.732 116.432 -1.700 1
1 375 . 9 1 1 A 36 36 HIS H H 398 9.538 8.747 0.791 1
1 376 . 9 1 1 A 36 36 HIS HA H 398 4.572 4.964 -0.392 1
1 381 . 9 1 1 A 36 36 HIS CA C 398 56.432 53.708 2.724 1
1 382 . 9 1 1 A 36 36 HIS CB C 398 29.935 32.789 -2.854 1
1 385 . 9 1 1 A 36 36 HIS N N 398 120.612 118.398 2.214 1
1 386 . 9 1 1 A 37 37 PRO HA H 399 3.457 3.029 0.428 1
1 393 . 9 1 1 A 37 37 PRO CA C 399 64.278 63.022 1.256 1
1 394 . 9 1 1 A 37 37 PRO CB C 399 30.979 30.985 -0.006 1
1 397 . 9 1 1 A 38 38 GLY H H 400 8.832 8.722 0.110 1
1 398 . 9 1 1 A 38 38 GLY HA2 H 400 3.593 3.840 -0.247 1
1 399 . 9 1 1 A 38 38 GLY HA3 H 400 4.522 3.854 0.668 1
1 400 . 9 1 1 A 38 38 GLY CA C 400 44.843 45.184 -0.341 1
1 401 . 9 1 1 A 38 38 GLY N N 400 115.162 112.007 3.155 1
1 402 . 9 1 1 A 39 39 ASP H H 401 8.505 7.479 1.026 1
1 403 . 9 1 1 A 39 39 ASP HA H 401 4.938 4.982 -0.044 1
1 406 . 9 1 1 A 39 39 ASP CA C 401 54.320 53.169 1.151 1
1 407 . 9 1 1 A 39 39 ASP CB C 401 41.893 42.770 -0.877 1
1 408 . 9 1 1 A 39 39 ASP N N 401 121.905 121.241 0.664 1
1 409 . 9 1 1 A 40 40 SER H H 402 9.378 9.103 0.275 1
1 410 . 9 1 1 A 40 40 SER HA H 402 4.281 4.193 0.088 1
1 413 . 9 1 1 A 40 40 SER CA C 402 61.078 61.081 -0.003 1
1 414 . 9 1 1 A 40 40 SER CB C 402 62.829 63.007 -0.178 1
1 415 . 9 1 1 A 40 40 SER N N 402 119.493 117.312 2.181 1
1 416 . 9 1 1 A 41 41 ASP H H 403 8.924 7.965 0.959 1
1 417 . 9 1 1 A 41 41 ASP HA H 403 4.697 4.822 -0.125 1
1 420 . 9 1 1 A 41 41 ASP CA C 403 52.287 53.845 -1.558 1
1 421 . 9 1 1 A 41 41 ASP CB C 403 39.077 41.596 -2.519 1
1 422 . 9 1 1 A 41 41 ASP N N 403 116.599 117.945 -1.346 1
1 423 . 9 1 1 A 42 42 TYR H H 404 7.427 7.729 -0.302 1
1 424 . 9 1 1 A 42 42 TYR HA H 404 4.452 4.368 0.084 1
1 431 . 9 1 1 A 42 42 TYR CA C 404 59.218 59.803 -0.585 1
1 432 . 9 1 1 A 42 42 TYR CB C 404 39.543 39.137 0.406 1
1 437 . 9 1 1 A 42 42 TYR N N 404 122.560 123.096 -0.536 1
1 438 . 9 1 1 A 43 43 GLY H H 405 7.715 8.300 -0.585 1
1 439 . 9 1 1 A 43 43 GLY HA2 H 405 3.743 3.967 -0.224 1
1 440 . 9 1 1 A 43 43 GLY HA3 H 405 3.704 4.052 -0.348 1
1 441 . 9 1 1 A 43 43 GLY CA C 405 45.100 45.315 -0.215 1
1 442 . 9 1 1 A 43 43 GLY N N 405 114.997 113.774 1.223 1
1 443 . 9 1 1 A 44 44 GLY H H 406 7.088 6.891 0.197 1
1 444 . 9 1 1 A 44 44 GLY HA2 H 406 3.887 3.681 0.206 1
1 445 . 9 1 1 A 44 44 GLY HA3 H 406 3.887 3.719 0.168 1
1 446 . 9 1 1 A 44 44 GLY CA C 406 45.011 46.299 -1.288 1
1 447 . 9 1 1 A 44 44 GLY N N 406 107.744 107.930 -0.186 1
1 448 . 9 1 1 A 45 45 VAL H H 407 8.064 7.435 0.629 1
1 449 . 9 1 1 A 45 45 VAL HA H 407 4.147 4.113 0.034 1
1 457 . 9 1 1 A 45 45 VAL CA C 407 62.222 60.937 1.285 1
1 458 . 9 1 1 A 45 45 VAL CB C 407 32.899 29.979 2.920 1
1 461 . 9 1 1 A 45 45 VAL N N 407 119.029 121.507 -2.478 1
1 462 . 9 1 1 A 46 46 GLN H H 408 8.506 8.443 0.063 1
1 463 . 9 1 1 A 46 46 GLN HA H 408 4.433 4.486 -0.053 1
1 470 . 9 1 1 A 46 46 GLN CA C 408 55.631 54.826 0.805 1
1 471 . 9 1 1 A 46 46 GLN CB C 408 29.682 27.311 2.371 1
1 473 . 9 1 1 A 46 46 GLN N N 408 124.737 127.066 -2.329 1
1 475 . 9 1 1 A 47 47 ILE H H 409 8.330 7.577 0.753 1
1 476 . 9 1 1 A 47 47 ILE HA H 409 4.237 3.660 0.577 1
1 486 . 9 1 1 A 47 47 ILE CA C 409 60.885 62.222 -1.337 1
1 487 . 9 1 1 A 47 47 ILE CB C 409 38.690 36.289 2.401 1
1 491 . 9 1 1 A 47 47 ILE N N 409 123.582 116.159 7.423 1
1 492 . 9 1 1 A 48 48 VAL H H 410 8.298 8.058 0.240 1
1 493 . 9 1 1 A 48 48 VAL HA H 410 4.183 4.306 -0.123 1
1 501 . 9 1 1 A 48 48 VAL CA C 410 62.351 61.180 1.171 1
1 502 . 9 1 1 A 48 48 VAL CB C 410 32.841 31.596 1.245 1
1 505 . 9 1 1 A 48 48 VAL N N 410 125.073 120.589 4.484 1
1 506 . 9 1 1 A 49 49 GLY H H 411 8.609 7.891 0.718 1
1 507 . 9 1 1 A 49 49 GLY HA2 H 411 4.032 3.990 0.042 1
1 508 . 9 1 1 A 49 49 GLY HA3 H 411 4.008 3.994 0.014 1
1 509 . 9 1 1 A 49 49 GLY CA C 411 45.281 45.309 -0.028 1
1 510 . 9 1 1 A 49 49 GLY N N 411 113.133 112.457 0.676 1
1 511 . 9 1 1 A 50 50 GLN H H 412 8.317 8.250 0.067 1
1 512 . 9 1 1 A 50 50 GLN HA H 412 4.403 3.984 0.419 1
1 519 . 9 1 1 A 50 50 GLN CA C 412 55.872 57.225 -1.353 1
1 520 . 9 1 1 A 50 50 GLN CB C 412 29.678 27.028 2.650 1
1 522 . 9 1 1 A 50 50 GLN N N 412 119.972 114.775 5.197 1
1 524 . 9 1 1 A 51 51 ASP H H 413 8.533 8.517 0.016 1
1 525 . 9 1 1 A 51 51 ASP HA H 413 4.646 4.353 0.293 1
1 528 . 9 1 1 A 51 51 ASP CA C 413 54.459 55.206 -0.747 1
1 529 . 9 1 1 A 51 51 ASP CB C 413 41.215 39.872 1.343 1
1 530 . 9 1 1 A 51 51 ASP N N 413 121.378 117.884 3.494 1
1 531 . 9 1 1 A 52 52 GLU H H 414 8.457 7.697 0.760 1
1 532 . 9 1 1 A 52 52 GLU HA H 414 4.392 4.624 -0.232 1
1 537 . 9 1 1 A 52 52 GLU CA C 414 56.700 55.314 1.386 1
1 538 . 9 1 1 A 52 52 GLU CB C 414 30.238 30.605 -0.367 1
1 540 . 9 1 1 A 52 52 GLU N N 414 121.491 118.194 3.297 1
1 541 . 9 1 1 A 53 53 THR H H 415 8.263 7.702 0.561 1
1 542 . 9 1 1 A 53 53 THR HA H 415 4.306 4.617 -0.311 1
1 547 . 9 1 1 A 53 53 THR CA C 415 62.113 60.261 1.852 1
1 548 . 9 1 1 A 53 53 THR CB C 415 69.912 68.783 1.129 1
1 550 . 9 1 1 A 53 53 THR N N 415 114.960 113.418 1.542 1
1 551 . 9 1 1 A 54 54 ASP H H 416 8.279 8.401 -0.122 1
1 552 . 9 1 1 A 54 54 ASP HA H 416 4.661 5.150 -0.489 1
1 555 . 9 1 1 A 54 54 ASP CA C 416 53.775 53.037 0.738 1
1 556 . 9 1 1 A 54 54 ASP CB C 416 41.188 42.160 -0.972 1
1 557 . 9 1 1 A 54 54 ASP N N 416 123.335 123.688 -0.353 1
1 1 . 10 1 1 A 2 2 PRO HA H 364 4.519 4.744 -0.225 1
1 8 . 10 1 1 A 2 2 PRO CA C 364 63.238 62.860 0.378 1
1 9 . 10 1 1 A 2 2 PRO CB C 364 32.338 32.514 -0.176 1
1 12 . 10 1 1 A 3 3 LEU H H 365 8.557 8.597 -0.040 1
1 13 . 10 1 1 A 3 3 LEU HA H 365 4.406 4.982 -0.576 1
1 23 . 10 1 1 A 3 3 LEU CA C 365 55.436 53.092 2.344 1
1 24 . 10 1 1 A 3 3 LEU CB C 365 42.304 45.796 -3.492 1
1 28 . 10 1 1 A 3 3 LEU N N 365 122.297 121.881 0.416 1
1 29 . 10 1 1 A 4 4 GLY H H 366 8.443 8.611 -0.168 1
1 30 . 10 1 1 A 4 4 GLY HA2 H 366 4.040 4.058 -0.018 1
1 31 . 10 1 1 A 4 4 GLY HA3 H 366 4.056 4.058 -0.002 1
1 32 . 10 1 1 A 4 4 GLY CA C 366 45.361 45.651 -0.290 1
1 33 . 10 1 1 A 4 4 GLY N N 366 110.040 109.277 0.763 1
1 34 . 10 1 1 A 5 5 SER H H 367 8.374 8.785 -0.411 1
1 35 . 10 1 1 A 5 5 SER HA H 367 4.521 4.680 -0.159 1
1 38 . 10 1 1 A 5 5 SER CA C 367 58.573 58.701 -0.128 1
1 39 . 10 1 1 A 5 5 SER CB C 367 64.058 64.313 -0.255 1
1 40 . 10 1 1 A 5 5 SER N N 367 116.007 116.925 -0.918 1
1 41 . 10 1 1 A 6 6 GLY H H 368 8.639 7.741 0.898 1
1 42 . 10 1 1 A 6 6 GLY HA2 H 368 4.095 3.996 0.099 1
1 43 . 10 1 1 A 6 6 GLY HA3 H 368 4.067 4.008 0.059 1
1 44 . 10 1 1 A 6 6 GLY CA C 368 45.494 45.470 0.024 1
1 45 . 10 1 1 A 6 6 GLY N N 368 111.362 109.741 1.621 1
1 46 . 10 1 1 A 7 7 SER H H 369 8.313 9.166 -0.853 1
1 47 . 10 1 1 A 7 7 SER HA H 369 4.516 5.242 -0.726 1
1 50 . 10 1 1 A 7 7 SER CA C 369 58.583 57.630 0.953 1
1 51 . 10 1 1 A 7 7 SER CB C 369 63.973 65.419 -1.446 1
1 52 . 10 1 1 A 7 7 SER N N 369 115.885 119.697 -3.812 1
1 53 . 10 1 1 A 8 8 GLU H H 370 8.630 9.061 -0.431 1
1 54 . 10 1 1 A 8 8 GLU HA H 370 4.330 4.715 -0.385 1
1 59 . 10 1 1 A 8 8 GLU CA C 370 57.138 55.579 1.559 1
1 60 . 10 1 1 A 8 8 GLU CB C 370 29.984 30.215 -0.231 1
1 62 . 10 1 1 A 8 8 GLU N N 370 122.682 125.745 -3.063 1
1 63 . 10 1 1 A 9 9 GLY H H 371 8.394 8.492 -0.098 1
1 64 . 10 1 1 A 9 9 GLY HA2 H 371 3.976 4.236 -0.260 1
1 65 . 10 1 1 A 9 9 GLY HA3 H 371 3.976 4.268 -0.292 1
1 66 . 10 1 1 A 9 9 GLY CA C 371 45.469 45.741 -0.272 1
1 67 . 10 1 1 A 9 9 GLY N N 371 109.245 109.676 -0.431 1
1 68 . 10 1 1 A 10 10 ASN H H 372 8.283 7.969 0.314 1
1 69 . 10 1 1 A 10 10 ASN HA H 372 4.732 4.990 -0.258 1
1 74 . 10 1 1 A 10 10 ASN CA C 372 53.263 54.231 -0.968 1
1 75 . 10 1 1 A 10 10 ASN CB C 372 38.961 41.456 -2.495 1
1 76 . 10 1 1 A 10 10 ASN N N 372 118.662 116.443 2.219 1
1 78 . 10 1 1 A 11 11 LYS H H 373 8.264 8.105 0.159 1
1 79 . 10 1 1 A 11 11 LYS HA H 373 4.360 4.435 -0.075 1
1 88 . 10 1 1 A 11 11 LYS CA C 373 56.413 55.303 1.110 1
1 89 . 10 1 1 A 11 11 LYS CB C 373 33.054 32.508 0.546 1
1 93 . 10 1 1 A 11 11 LYS N N 373 121.729 117.915 3.814 1
1 94 . 10 1 1 A 12 12 VAL H H 374 8.114 7.823 0.291 1
1 95 . 10 1 1 A 12 12 VAL HA H 374 4.086 4.655 -0.569 1
1 103 . 10 1 1 A 12 12 VAL CA C 374 62.169 60.343 1.826 1
1 104 . 10 1 1 A 12 12 VAL CB C 374 32.862 36.100 -3.238 1
1 107 . 10 1 1 A 12 12 VAL N N 374 121.704 121.541 0.163 1
1 108 . 10 1 1 A 13 13 LYS H H 375 8.415 8.470 -0.055 1
1 109 . 10 1 1 A 13 13 LYS HA H 375 4.383 4.449 -0.066 1
1 118 . 10 1 1 A 13 13 LYS CA C 375 55.989 55.608 0.381 1
1 119 . 10 1 1 A 13 13 LYS CB C 375 33.159 31.123 2.036 1
1 123 . 10 1 1 A 13 13 LYS N N 375 126.419 126.986 -0.567 1
1 124 . 10 1 1 A 14 14 ARG H H 376 8.753 7.921 0.832 1
1 125 . 10 1 1 A 14 14 ARG HA H 376 4.363 4.170 0.193 1
1 132 . 10 1 1 A 14 14 ARG CA C 376 56.293 56.115 0.178 1
1 133 . 10 1 1 A 14 14 ARG CB C 376 32.331 30.271 2.060 1
1 136 . 10 1 1 A 14 14 ARG N N 376 123.397 121.676 1.721 1
1 137 . 10 1 1 A 15 15 THR H H 377 8.081 8.139 -0.058 1
1 138 . 10 1 1 A 15 15 THR HA H 377 4.398 4.346 0.052 1
1 143 . 10 1 1 A 15 15 THR CA C 377 61.533 62.500 -0.967 1
1 144 . 10 1 1 A 15 15 THR CB C 377 70.409 69.665 0.744 1
1 146 . 10 1 1 A 15 15 THR N N 377 117.600 116.745 0.855 1
1 147 . 10 1 1 A 16 16 SER H H 378 8.614 8.472 0.142 1
1 148 . 10 1 1 A 16 16 SER HA H 378 4.853 4.424 0.429 1
1 151 . 10 1 1 A 16 16 SER CA C 378 59.098 58.682 0.416 1
1 152 . 10 1 1 A 16 16 SER CB C 378 63.763 63.831 -0.068 1
1 153 . 10 1 1 A 16 16 SER N N 378 121.120 121.229 -0.109 1
1 154 . 10 1 1 A 17 17 CYS H H 379 9.252 8.371 0.881 1
1 155 . 10 1 1 A 17 17 CYS HA H 379 3.994 4.605 -0.611 1
1 158 . 10 1 1 A 17 17 CYS CA C 379 60.962 58.458 2.504 1
1 159 . 10 1 1 A 17 17 CYS CB C 379 29.581 28.929 0.652 1
1 160 . 10 1 1 A 17 17 CYS N N 379 127.790 123.786 4.004 1
1 161 . 10 1 1 A 18 18 MET H H 380 8.831 8.521 0.310 1
1 162 . 10 1 1 A 18 18 MET HA H 380 4.212 4.010 0.202 1
1 170 . 10 1 1 A 18 18 MET CA C 380 58.209 57.983 0.226 1
1 171 . 10 1 1 A 18 18 MET CB C 380 31.936 31.547 0.389 1
1 174 . 10 1 1 A 18 18 MET N N 380 130.017 125.082 4.935 1
1 175 . 10 1 1 A 19 19 TYR H H 381 8.701 7.555 1.146 1
1 176 . 10 1 1 A 19 19 TYR HA H 381 4.579 4.678 -0.099 1
1 183 . 10 1 1 A 19 19 TYR CA C 381 58.762 58.128 0.634 1
1 184 . 10 1 1 A 19 19 TYR CB C 381 37.595 39.016 -1.421 1
1 189 . 10 1 1 A 19 19 TYR N N 381 120.369 115.590 4.779 1
1 190 . 10 1 1 A 20 20 GLY H H 382 7.760 8.238 -0.478 1
1 191 . 10 1 1 A 20 20 GLY HA2 H 382 3.710 3.977 -0.267 1
1 192 . 10 1 1 A 20 20 GLY HA3 H 382 4.085 3.987 0.098 1
1 193 . 10 1 1 A 20 20 GLY CA C 382 47.627 47.455 0.172 1
1 194 . 10 1 1 A 20 20 GLY N N 382 107.481 108.620 -1.139 1
1 195 . 10 1 1 A 21 21 ALA H H 383 9.248 8.510 0.738 1
1 196 . 10 1 1 A 21 21 ALA HA H 383 4.354 4.266 0.088 1
1 200 . 10 1 1 A 21 21 ALA CA C 383 53.398 53.413 -0.015 1
1 201 . 10 1 1 A 21 21 ALA CB C 383 18.808 18.893 -0.085 1
1 202 . 10 1 1 A 21 21 ALA N N 383 128.449 129.197 -0.748 1
1 203 . 10 1 1 A 22 22 ASN H H 384 8.261 7.954 0.307 1
1 204 . 10 1 1 A 22 22 ASN HA H 384 4.944 4.874 0.070 1
1 209 . 10 1 1 A 22 22 ASN CA C 384 52.140 53.442 -1.302 1
1 210 . 10 1 1 A 22 22 ASN CB C 384 38.940 39.231 -0.291 1
1 211 . 10 1 1 A 22 22 ASN N N 384 115.516 114.047 1.469 1
1 213 . 10 1 1 A 23 23 CYS H H 385 7.174 7.668 -0.494 1
1 214 . 10 1 1 A 23 23 CYS HA H 385 3.736 4.279 -0.543 1
1 217 . 10 1 1 A 23 23 CYS CA C 385 61.867 60.219 1.648 1
1 218 . 10 1 1 A 23 23 CYS CB C 385 29.434 28.292 1.142 1
1 219 . 10 1 1 A 23 23 CYS N N 385 121.580 120.190 1.390 1
1 220 . 10 1 1 A 24 24 TYR H H 386 7.680 8.160 -0.480 1
1 221 . 10 1 1 A 24 24 TYR HA H 386 4.858 4.672 0.186 1
1 228 . 10 1 1 A 24 24 TYR CA C 386 56.348 57.492 -1.144 1
1 229 . 10 1 1 A 24 24 TYR CB C 386 38.216 39.783 -1.567 1
1 234 . 10 1 1 A 24 24 TYR N N 386 126.676 123.837 2.839 1
1 235 . 10 1 1 A 25 25 ARG H H 387 7.988 6.322 1.666 1
1 236 . 10 1 1 A 25 25 ARG HA H 387 4.054 4.171 -0.117 1
1 243 . 10 1 1 A 25 25 ARG CA C 387 56.282 55.975 0.307 1
1 244 . 10 1 1 A 25 25 ARG CB C 387 29.894 30.216 -0.322 1
1 247 . 10 1 1 A 25 25 ARG N N 387 123.491 120.167 3.324 1
1 248 . 10 1 1 A 26 26 LYS H H 388 8.951 8.709 0.242 1
1 249 . 10 1 1 A 26 26 LYS HA H 388 4.635 4.703 -0.068 1
1 258 . 10 1 1 A 26 26 LYS CA C 388 55.605 55.170 0.435 1
1 259 . 10 1 1 A 26 26 LYS CB C 388 34.387 32.431 1.956 1
1 263 . 10 1 1 A 26 26 LYS N N 388 118.569 117.069 1.500 1
1 264 . 10 1 1 A 27 27 ASN H H 389 8.400 7.699 0.701 1
1 265 . 10 1 1 A 27 27 ASN HA H 389 4.950 5.152 -0.202 1
1 270 . 10 1 1 A 27 27 ASN CA C 389 51.827 49.737 2.090 1
1 271 . 10 1 1 A 27 27 ASN CB C 389 39.171 40.265 -1.094 1
1 272 . 10 1 1 A 27 27 ASN N N 389 122.702 118.331 4.371 1
1 274 . 10 1 1 A 28 28 PRO HA H 390 4.595 4.516 0.079 1
1 281 . 10 1 1 A 28 28 PRO CA C 390 65.632 66.385 -0.753 1
1 282 . 10 1 1 A 28 28 PRO CB C 390 32.574 31.464 1.110 1
1 285 . 10 1 1 A 29 29 VAL H H 391 8.337 7.905 0.432 1
1 286 . 10 1 1 A 29 29 VAL HA H 391 3.818 4.074 -0.256 1
1 294 . 10 1 1 A 29 29 VAL CA C 391 65.608 65.735 -0.127 1
1 295 . 10 1 1 A 29 29 VAL CB C 391 31.546 31.629 -0.083 1
1 298 . 10 1 1 A 29 29 VAL N N 391 117.431 115.960 1.471 1
1 299 . 10 1 1 A 30 30 HIS H H 392 8.037 8.179 -0.142 1
1 300 . 10 1 1 A 30 30 HIS HA H 392 4.565 4.329 0.236 1
1 305 . 10 1 1 A 30 30 HIS CA C 392 60.297 59.270 1.027 1
1 306 . 10 1 1 A 30 30 HIS CB C 392 27.700 29.799 -2.099 1
1 309 . 10 1 1 A 30 30 HIS N N 392 120.267 119.954 0.313 1
1 310 . 10 1 1 A 31 31 PHE H H 393 7.059 8.890 -1.831 1
1 311 . 10 1 1 A 31 31 PHE HA H 393 4.465 4.419 0.046 1
1 319 . 10 1 1 A 31 31 PHE CA C 393 59.951 61.815 -1.864 1
1 320 . 10 1 1 A 31 31 PHE CB C 393 38.577 38.507 0.070 1
1 326 . 10 1 1 A 31 31 PHE N N 393 114.802 117.996 -3.194 1
1 327 . 10 1 1 A 32 32 GLN H H 394 7.671 8.234 -0.563 1
1 328 . 10 1 1 A 32 32 GLN HA H 394 4.261 4.331 -0.070 1
1 335 . 10 1 1 A 32 32 GLN CA C 394 57.393 58.630 -1.237 1
1 336 . 10 1 1 A 32 32 GLN CB C 394 28.710 28.380 0.330 1
1 338 . 10 1 1 A 32 32 GLN N N 394 117.129 119.125 -1.996 1
1 340 . 10 1 1 A 33 33 HIS H H 395 7.581 7.628 -0.047 1
1 341 . 10 1 1 A 33 33 HIS HA H 395 4.498 4.218 0.280 1
1 346 . 10 1 1 A 33 33 HIS CA C 395 56.467 57.461 -0.994 1
1 347 . 10 1 1 A 33 33 HIS CB C 395 31.398 30.651 0.747 1
1 350 . 10 1 1 A 33 33 HIS N N 395 115.481 114.938 0.543 1
1 351 . 10 1 1 A 34 34 PHE H H 396 8.044 7.723 0.321 1
1 352 . 10 1 1 A 34 34 PHE HA H 396 5.398 5.289 0.109 1
1 360 . 10 1 1 A 34 34 PHE CA C 396 56.318 55.847 0.471 1
1 361 . 10 1 1 A 34 34 PHE CB C 396 41.617 41.856 -0.239 1
1 367 . 10 1 1 A 34 34 PHE N N 396 117.547 116.397 1.150 1
1 368 . 10 1 1 A 35 35 SER H H 397 8.603 9.477 -0.874 1
1 369 . 10 1 1 A 35 35 SER HA H 397 4.769 4.780 -0.011 1
1 372 . 10 1 1 A 35 35 SER CA C 397 56.350 57.844 -1.494 1
1 373 . 10 1 1 A 35 35 SER CB C 397 65.912 64.539 1.373 1
1 374 . 10 1 1 A 35 35 SER N N 397 114.732 119.210 -4.478 1
1 375 . 10 1 1 A 36 36 HIS H H 398 9.538 8.823 0.715 1
1 376 . 10 1 1 A 36 36 HIS HA H 398 4.572 4.973 -0.401 1
1 381 . 10 1 1 A 36 36 HIS CA C 398 56.432 53.800 2.632 1
1 382 . 10 1 1 A 36 36 HIS CB C 398 29.935 32.880 -2.945 1
1 385 . 10 1 1 A 36 36 HIS N N 398 120.612 120.733 -0.121 1
1 386 . 10 1 1 A 37 37 PRO HA H 399 3.457 3.031 0.426 1
1 393 . 10 1 1 A 37 37 PRO CA C 399 64.278 63.087 1.191 1
1 394 . 10 1 1 A 37 37 PRO CB C 399 30.979 30.936 0.043 1
1 397 . 10 1 1 A 38 38 GLY H H 400 8.832 8.707 0.125 1
1 398 . 10 1 1 A 38 38 GLY HA2 H 400 3.593 3.818 -0.225 1
1 399 . 10 1 1 A 38 38 GLY HA3 H 400 4.522 3.830 0.692 1
1 400 . 10 1 1 A 38 38 GLY CA C 400 44.843 45.149 -0.306 1
1 401 . 10 1 1 A 38 38 GLY N N 400 115.162 112.413 2.749 1
1 402 . 10 1 1 A 39 39 ASP H H 401 8.505 7.475 1.030 1
1 403 . 10 1 1 A 39 39 ASP HA H 401 4.938 4.956 -0.018 1
1 406 . 10 1 1 A 39 39 ASP CA C 401 54.320 53.237 1.083 1
1 407 . 10 1 1 A 39 39 ASP CB C 401 41.893 42.967 -1.074 1
1 408 . 10 1 1 A 39 39 ASP N N 401 121.905 121.225 0.680 1
1 409 . 10 1 1 A 40 40 SER H H 402 9.378 9.127 0.251 1
1 410 . 10 1 1 A 40 40 SER HA H 402 4.281 4.186 0.095 1
1 413 . 10 1 1 A 40 40 SER CA C 402 61.078 61.083 -0.005 1
1 414 . 10 1 1 A 40 40 SER CB C 402 62.829 63.044 -0.215 1
1 415 . 10 1 1 A 40 40 SER N N 402 119.493 117.638 1.855 1
1 416 . 10 1 1 A 41 41 ASP H H 403 8.924 7.913 1.011 1
1 417 . 10 1 1 A 41 41 ASP HA H 403 4.697 4.722 -0.025 1
1 420 . 10 1 1 A 41 41 ASP CA C 403 52.287 54.192 -1.905 1
1 421 . 10 1 1 A 41 41 ASP CB C 403 39.077 41.729 -2.652 1
1 422 . 10 1 1 A 41 41 ASP N N 403 116.599 118.304 -1.705 1
1 423 . 10 1 1 A 42 42 TYR H H 404 7.427 7.632 -0.205 1
1 424 . 10 1 1 A 42 42 TYR HA H 404 4.452 4.293 0.159 1
1 431 . 10 1 1 A 42 42 TYR CA C 404 59.218 59.834 -0.616 1
1 432 . 10 1 1 A 42 42 TYR CB C 404 39.543 39.027 0.516 1
1 437 . 10 1 1 A 42 42 TYR N N 404 122.560 122.951 -0.391 1
1 438 . 10 1 1 A 43 43 GLY H H 405 7.715 8.022 -0.307 1
1 439 . 10 1 1 A 43 43 GLY HA2 H 405 3.743 3.847 -0.104 1
1 440 . 10 1 1 A 43 43 GLY HA3 H 405 3.704 4.003 -0.299 1
1 441 . 10 1 1 A 43 43 GLY CA C 405 45.100 45.426 -0.326 1
1 442 . 10 1 1 A 43 43 GLY N N 405 114.997 111.991 3.006 1
1 443 . 10 1 1 A 44 44 GLY H H 406 7.088 7.452 -0.364 1
1 444 . 10 1 1 A 44 44 GLY HA2 H 406 3.887 3.749 0.138 1
1 445 . 10 1 1 A 44 44 GLY HA3 H 406 3.887 3.752 0.135 1
1 446 . 10 1 1 A 44 44 GLY CA C 406 45.011 46.684 -1.673 1
1 447 . 10 1 1 A 44 44 GLY N N 406 107.744 106.316 1.428 1
1 448 . 10 1 1 A 45 45 VAL H H 407 8.064 7.776 0.288 1
1 449 . 10 1 1 A 45 45 VAL HA H 407 4.147 3.747 0.400 1
1 457 . 10 1 1 A 45 45 VAL CA C 407 62.222 62.795 -0.573 1
1 458 . 10 1 1 A 45 45 VAL CB C 407 32.899 29.727 3.172 1
1 461 . 10 1 1 A 45 45 VAL N N 407 119.029 114.796 4.233 1
1 462 . 10 1 1 A 46 46 GLN H H 408 8.506 8.039 0.467 1
1 463 . 10 1 1 A 46 46 GLN HA H 408 4.433 4.585 -0.152 1
1 470 . 10 1 1 A 46 46 GLN CA C 408 55.631 54.600 1.031 1
1 471 . 10 1 1 A 46 46 GLN CB C 408 29.682 28.215 1.467 1
1 473 . 10 1 1 A 46 46 GLN N N 408 124.737 119.865 4.872 1
1 475 . 10 1 1 A 47 47 ILE H H 409 8.330 8.867 -0.537 1
1 476 . 10 1 1 A 47 47 ILE HA H 409 4.237 4.518 -0.281 1
1 486 . 10 1 1 A 47 47 ILE CA C 409 60.885 60.605 0.280 1
1 487 . 10 1 1 A 47 47 ILE CB C 409 38.690 37.404 1.286 1
1 491 . 10 1 1 A 47 47 ILE N N 409 123.582 126.283 -2.701 1
1 492 . 10 1 1 A 48 48 VAL H H 410 8.298 8.645 -0.347 1
1 493 . 10 1 1 A 48 48 VAL HA H 410 4.183 4.423 -0.240 1
1 501 . 10 1 1 A 48 48 VAL CA C 410 62.351 60.954 1.397 1
1 502 . 10 1 1 A 48 48 VAL CB C 410 32.841 32.159 0.682 1
1 505 . 10 1 1 A 48 48 VAL N N 410 125.073 128.186 -3.113 1
1 506 . 10 1 1 A 49 49 GLY H H 411 8.609 8.455 0.154 1
1 507 . 10 1 1 A 49 49 GLY HA2 H 411 4.032 4.013 0.019 1
1 508 . 10 1 1 A 49 49 GLY HA3 H 411 4.008 4.013 -0.005 1
1 509 . 10 1 1 A 49 49 GLY CA C 411 45.281 46.438 -1.157 1
1 510 . 10 1 1 A 49 49 GLY N N 411 113.133 115.538 -2.405 1
1 511 . 10 1 1 A 50 50 GLN H H 412 8.317 8.324 -0.007 1
1 512 . 10 1 1 A 50 50 GLN HA H 412 4.403 4.106 0.297 1
1 519 . 10 1 1 A 50 50 GLN CA C 412 55.872 58.918 -3.046 1
1 520 . 10 1 1 A 50 50 GLN CB C 412 29.678 28.810 0.868 1
1 522 . 10 1 1 A 50 50 GLN N N 412 119.972 118.326 1.646 1
1 524 . 10 1 1 A 51 51 ASP H H 413 8.533 8.085 0.448 1
1 525 . 10 1 1 A 51 51 ASP HA H 413 4.646 4.842 -0.196 1
1 528 . 10 1 1 A 51 51 ASP CA C 413 54.459 52.964 1.495 1
1 529 . 10 1 1 A 51 51 ASP CB C 413 41.215 41.890 -0.675 1
1 530 . 10 1 1 A 51 51 ASP N N 413 121.378 116.912 4.466 1
1 531 . 10 1 1 A 52 52 GLU H H 414 8.457 7.733 0.724 1
1 532 . 10 1 1 A 52 52 GLU HA H 414 4.392 4.603 -0.211 1
1 537 . 10 1 1 A 52 52 GLU CA C 414 56.700 55.454 1.246 1
1 538 . 10 1 1 A 52 52 GLU CB C 414 30.238 30.053 0.185 1
1 540 . 10 1 1 A 52 52 GLU N N 414 121.491 123.044 -1.553 1
1 541 . 10 1 1 A 53 53 THR H H 415 8.263 7.826 0.437 1
1 542 . 10 1 1 A 53 53 THR HA H 415 4.306 4.582 -0.276 1
1 547 . 10 1 1 A 53 53 THR CA C 415 62.113 60.282 1.831 1
1 548 . 10 1 1 A 53 53 THR CB C 415 69.912 68.831 1.081 1
1 550 . 10 1 1 A 53 53 THR N N 415 114.960 113.820 1.140 1
1 551 . 10 1 1 A 54 54 ASP H H 416 8.279 8.686 -0.407 1
1 552 . 10 1 1 A 54 54 ASP HA H 416 4.661 4.985 -0.324 1
1 555 . 10 1 1 A 54 54 ASP CA C 416 53.775 53.747 0.028 1
1 556 . 10 1 1 A 54 54 ASP CB C 416 41.188 41.431 -0.243 1
1 557 . 10 1 1 A 54 54 ASP N N 416 123.335 123.713 -0.378 1
1 1 . 11 1 1 A 2 2 PRO HA H 364 4.519 4.260 0.259 1
1 8 . 11 1 1 A 2 2 PRO CA C 364 63.238 63.368 -0.130 1
1 9 . 11 1 1 A 2 2 PRO CB C 364 32.338 32.139 0.199 1
1 12 . 11 1 1 A 3 3 LEU H H 365 8.557 8.880 -0.323 1
1 13 . 11 1 1 A 3 3 LEU HA H 365 4.406 3.944 0.462 1
1 23 . 11 1 1 A 3 3 LEU CA C 365 55.436 55.704 -0.268 1
1 24 . 11 1 1 A 3 3 LEU CB C 365 42.304 40.660 1.644 1
1 28 . 11 1 1 A 3 3 LEU N N 365 122.297 123.344 -1.047 1
1 29 . 11 1 1 A 4 4 GLY H H 366 8.443 8.241 0.202 1
1 30 . 11 1 1 A 4 4 GLY HA2 H 366 4.040 4.356 -0.316 1
1 31 . 11 1 1 A 4 4 GLY HA3 H 366 4.056 4.359 -0.303 1
1 32 . 11 1 1 A 4 4 GLY CA C 366 45.361 44.628 0.733 1
1 33 . 11 1 1 A 4 4 GLY N N 366 110.040 110.412 -0.372 1
1 34 . 11 1 1 A 5 5 SER H H 367 8.374 8.797 -0.423 1
1 35 . 11 1 1 A 5 5 SER HA H 367 4.521 4.808 -0.287 1
1 38 . 11 1 1 A 5 5 SER CA C 367 58.573 56.852 1.721 1
1 39 . 11 1 1 A 5 5 SER CB C 367 64.058 64.043 0.015 1
1 40 . 11 1 1 A 5 5 SER N N 367 116.007 118.406 -2.399 1
1 41 . 11 1 1 A 6 6 GLY H H 368 8.639 7.919 0.720 1
1 42 . 11 1 1 A 6 6 GLY HA2 H 368 4.095 4.069 0.026 1
1 43 . 11 1 1 A 6 6 GLY HA3 H 368 4.067 4.179 -0.112 1
1 44 . 11 1 1 A 6 6 GLY CA C 368 45.494 45.507 -0.013 1
1 45 . 11 1 1 A 6 6 GLY N N 368 111.362 111.908 -0.546 1
1 46 . 11 1 1 A 7 7 SER H H 369 8.313 8.419 -0.106 1
1 47 . 11 1 1 A 7 7 SER HA H 369 4.516 4.857 -0.341 1
1 50 . 11 1 1 A 7 7 SER CA C 369 58.583 56.835 1.748 1
1 51 . 11 1 1 A 7 7 SER CB C 369 63.973 63.113 0.860 1
1 52 . 11 1 1 A 7 7 SER N N 369 115.885 119.800 -3.915 1
1 53 . 11 1 1 A 8 8 GLU H H 370 8.630 8.877 -0.247 1
1 54 . 11 1 1 A 8 8 GLU HA H 370 4.330 4.623 -0.293 1
1 59 . 11 1 1 A 8 8 GLU CA C 370 57.138 55.544 1.594 1
1 60 . 11 1 1 A 8 8 GLU CB C 370 29.984 30.243 -0.259 1
1 62 . 11 1 1 A 8 8 GLU N N 370 122.682 126.854 -4.172 1
1 63 . 11 1 1 A 9 9 GLY H H 371 8.394 7.959 0.435 1
1 64 . 11 1 1 A 9 9 GLY HA2 H 371 3.976 4.171 -0.195 1
1 65 . 11 1 1 A 9 9 GLY HA3 H 371 3.976 4.197 -0.221 1
1 66 . 11 1 1 A 9 9 GLY CA C 371 45.469 45.725 -0.256 1
1 67 . 11 1 1 A 9 9 GLY N N 371 109.245 109.154 0.091 1
1 68 . 11 1 1 A 10 10 ASN H H 372 8.283 7.985 0.298 1
1 69 . 11 1 1 A 10 10 ASN HA H 372 4.732 5.011 -0.279 1
1 74 . 11 1 1 A 10 10 ASN CA C 372 53.263 54.147 -0.884 1
1 75 . 11 1 1 A 10 10 ASN CB C 372 38.961 41.364 -2.403 1
1 76 . 11 1 1 A 10 10 ASN N N 372 118.662 116.274 2.388 1
1 78 . 11 1 1 A 11 11 LYS H H 373 8.264 7.879 0.385 1
1 79 . 11 1 1 A 11 11 LYS HA H 373 4.360 4.480 -0.120 1
1 88 . 11 1 1 A 11 11 LYS CA C 373 56.413 55.208 1.205 1
1 89 . 11 1 1 A 11 11 LYS CB C 373 33.054 32.631 0.423 1
1 93 . 11 1 1 A 11 11 LYS N N 373 121.729 117.405 4.324 1
1 94 . 11 1 1 A 12 12 VAL H H 374 8.114 7.623 0.491 1
1 95 . 11 1 1 A 12 12 VAL HA H 374 4.086 4.925 -0.839 1
1 103 . 11 1 1 A 12 12 VAL CA C 374 62.169 59.374 2.795 1
1 104 . 11 1 1 A 12 12 VAL CB C 374 32.862 35.915 -3.053 1
1 107 . 11 1 1 A 12 12 VAL N N 374 121.704 119.958 1.746 1
1 108 . 11 1 1 A 13 13 LYS H H 375 8.415 8.474 -0.059 1
1 109 . 11 1 1 A 13 13 LYS HA H 375 4.383 4.656 -0.273 1
1 118 . 11 1 1 A 13 13 LYS CA C 375 55.989 55.507 0.482 1
1 119 . 11 1 1 A 13 13 LYS CB C 375 33.159 32.466 0.693 1
1 123 . 11 1 1 A 13 13 LYS N N 375 126.419 124.880 1.539 1
1 124 . 11 1 1 A 14 14 ARG H H 376 8.753 8.389 0.364 1
1 125 . 11 1 1 A 14 14 ARG HA H 376 4.363 4.372 -0.009 1
1 132 . 11 1 1 A 14 14 ARG CA C 376 56.293 55.992 0.301 1
1 133 . 11 1 1 A 14 14 ARG CB C 376 32.331 31.561 0.770 1
1 136 . 11 1 1 A 14 14 ARG N N 376 123.397 124.627 -1.230 1
1 137 . 11 1 1 A 15 15 THR H H 377 8.081 8.354 -0.273 1
1 138 . 11 1 1 A 15 15 THR HA H 377 4.398 4.705 -0.307 1
1 143 . 11 1 1 A 15 15 THR CA C 377 61.533 61.733 -0.200 1
1 144 . 11 1 1 A 15 15 THR CB C 377 70.409 70.077 0.332 1
1 146 . 11 1 1 A 15 15 THR N N 377 117.600 117.555 0.045 1
1 147 . 11 1 1 A 16 16 SER H H 378 8.614 8.729 -0.115 1
1 148 . 11 1 1 A 16 16 SER HA H 378 4.853 4.550 0.303 1
1 151 . 11 1 1 A 16 16 SER CA C 378 59.098 58.343 0.755 1
1 152 . 11 1 1 A 16 16 SER CB C 378 63.763 63.423 0.340 1
1 153 . 11 1 1 A 16 16 SER N N 378 121.120 121.086 0.034 1
1 154 . 11 1 1 A 17 17 CYS H H 379 9.252 8.822 0.430 1
1 155 . 11 1 1 A 17 17 CYS HA H 379 3.994 4.345 -0.351 1
1 158 . 11 1 1 A 17 17 CYS CA C 379 60.962 59.727 1.235 1
1 159 . 11 1 1 A 17 17 CYS CB C 379 29.581 28.929 0.652 1
1 160 . 11 1 1 A 17 17 CYS N N 379 127.790 125.215 2.575 1
1 161 . 11 1 1 A 18 18 MET H H 380 8.831 8.781 0.050 1
1 162 . 11 1 1 A 18 18 MET HA H 380 4.212 4.067 0.145 1
1 170 . 11 1 1 A 18 18 MET CA C 380 58.209 57.998 0.211 1
1 171 . 11 1 1 A 18 18 MET CB C 380 31.936 31.810 0.126 1
1 174 . 11 1 1 A 18 18 MET N N 380 130.017 125.106 4.911 1
1 175 . 11 1 1 A 19 19 TYR H H 381 8.701 7.687 1.014 1
1 176 . 11 1 1 A 19 19 TYR HA H 381 4.579 4.625 -0.046 1
1 183 . 11 1 1 A 19 19 TYR CA C 381 58.762 58.386 0.376 1
1 184 . 11 1 1 A 19 19 TYR CB C 381 37.595 38.892 -1.297 1
1 189 . 11 1 1 A 19 19 TYR N N 381 120.369 118.634 1.735 1
1 190 . 11 1 1 A 20 20 GLY H H 382 7.760 8.383 -0.623 1
1 191 . 11 1 1 A 20 20 GLY HA2 H 382 3.710 3.993 -0.283 1
1 192 . 11 1 1 A 20 20 GLY HA3 H 382 4.085 4.054 0.031 1
1 193 . 11 1 1 A 20 20 GLY CA C 382 47.627 47.494 0.133 1
1 194 . 11 1 1 A 20 20 GLY N N 382 107.481 108.596 -1.115 1
1 195 . 11 1 1 A 21 21 ALA H H 383 9.248 8.498 0.750 1
1 196 . 11 1 1 A 21 21 ALA HA H 383 4.354 4.424 -0.070 1
1 200 . 11 1 1 A 21 21 ALA CA C 383 53.398 52.293 1.105 1
1 201 . 11 1 1 A 21 21 ALA CB C 383 18.808 19.515 -0.707 1
1 202 . 11 1 1 A 21 21 ALA N N 383 128.449 129.302 -0.853 1
1 203 . 11 1 1 A 22 22 ASN H H 384 8.261 7.831 0.430 1
1 204 . 11 1 1 A 22 22 ASN HA H 384 4.944 5.054 -0.110 1
1 209 . 11 1 1 A 22 22 ASN CA C 384 52.140 52.634 -0.494 1
1 210 . 11 1 1 A 22 22 ASN CB C 384 38.940 39.752 -0.812 1
1 211 . 11 1 1 A 22 22 ASN N N 384 115.516 115.866 -0.350 1
1 213 . 11 1 1 A 23 23 CYS H H 385 7.174 7.739 -0.565 1
1 214 . 11 1 1 A 23 23 CYS HA H 385 3.736 4.159 -0.423 1
1 217 . 11 1 1 A 23 23 CYS CA C 385 61.867 58.497 3.370 1
1 218 . 11 1 1 A 23 23 CYS CB C 385 29.434 27.140 2.294 1
1 219 . 11 1 1 A 23 23 CYS N N 385 121.580 121.091 0.489 1
1 220 . 11 1 1 A 24 24 TYR H H 386 7.680 7.640 0.040 1
1 221 . 11 1 1 A 24 24 TYR HA H 386 4.858 4.120 0.738 1
1 228 . 11 1 1 A 24 24 TYR CA C 386 56.348 60.123 -3.775 1
1 229 . 11 1 1 A 24 24 TYR CB C 386 38.216 37.578 0.638 1
1 234 . 11 1 1 A 24 24 TYR N N 386 126.676 125.057 1.619 1
1 235 . 11 1 1 A 25 25 ARG H H 387 7.988 6.433 1.555 1
1 236 . 11 1 1 A 25 25 ARG HA H 387 4.054 4.145 -0.091 1
1 243 . 11 1 1 A 25 25 ARG CA C 387 56.282 55.595 0.687 1
1 244 . 11 1 1 A 25 25 ARG CB C 387 29.894 30.752 -0.858 1
1 247 . 11 1 1 A 25 25 ARG N N 387 123.491 118.994 4.497 1
1 248 . 11 1 1 A 26 26 LYS H H 388 8.951 8.721 0.230 1
1 249 . 11 1 1 A 26 26 LYS HA H 388 4.635 4.712 -0.077 1
1 258 . 11 1 1 A 26 26 LYS CA C 388 55.605 55.122 0.483 1
1 259 . 11 1 1 A 26 26 LYS CB C 388 34.387 33.441 0.946 1
1 263 . 11 1 1 A 26 26 LYS N N 388 118.569 117.771 0.798 1
1 264 . 11 1 1 A 27 27 ASN H H 389 8.400 8.662 -0.262 1
1 265 . 11 1 1 A 27 27 ASN HA H 389 4.950 5.101 -0.151 1
1 270 . 11 1 1 A 27 27 ASN CA C 389 51.827 50.219 1.608 1
1 271 . 11 1 1 A 27 27 ASN CB C 389 39.171 39.139 0.032 1
1 272 . 11 1 1 A 27 27 ASN N N 389 122.702 124.134 -1.432 1
1 274 . 11 1 1 A 28 28 PRO HA H 390 4.595 4.612 -0.017 1
1 281 . 11 1 1 A 28 28 PRO CA C 390 65.632 64.648 0.984 1
1 282 . 11 1 1 A 28 28 PRO CB C 390 32.574 32.207 0.367 1
1 285 . 11 1 1 A 29 29 VAL H H 391 8.337 7.629 0.708 1
1 286 . 11 1 1 A 29 29 VAL HA H 391 3.818 4.402 -0.584 1
1 294 . 11 1 1 A 29 29 VAL CA C 391 65.608 64.526 1.082 1
1 295 . 11 1 1 A 29 29 VAL CB C 391 31.546 31.741 -0.195 1
1 298 . 11 1 1 A 29 29 VAL N N 391 117.431 116.039 1.392 1
1 299 . 11 1 1 A 30 30 HIS H H 392 8.037 8.128 -0.091 1
1 300 . 11 1 1 A 30 30 HIS HA H 392 4.565 4.167 0.398 1
1 305 . 11 1 1 A 30 30 HIS CA C 392 60.297 59.093 1.204 1
1 306 . 11 1 1 A 30 30 HIS CB C 392 27.700 29.610 -1.910 1
1 309 . 11 1 1 A 30 30 HIS N N 392 120.267 120.473 -0.206 1
1 310 . 11 1 1 A 31 31 PHE H H 393 7.059 8.140 -1.081 1
1 311 . 11 1 1 A 31 31 PHE HA H 393 4.465 4.392 0.073 1
1 319 . 11 1 1 A 31 31 PHE CA C 393 59.951 61.668 -1.717 1
1 320 . 11 1 1 A 31 31 PHE CB C 393 38.577 38.309 0.268 1
1 326 . 11 1 1 A 31 31 PHE N N 393 114.802 117.947 -3.145 1
1 327 . 11 1 1 A 32 32 GLN H H 394 7.671 8.074 -0.403 1
1 328 . 11 1 1 A 32 32 GLN HA H 394 4.261 4.311 -0.050 1
1 335 . 11 1 1 A 32 32 GLN CA C 394 57.393 58.712 -1.319 1
1 336 . 11 1 1 A 32 32 GLN CB C 394 28.710 28.304 0.406 1
1 338 . 11 1 1 A 32 32 GLN N N 394 117.129 119.442 -2.313 1
1 340 . 11 1 1 A 33 33 HIS H H 395 7.581 7.665 -0.084 1
1 341 . 11 1 1 A 33 33 HIS HA H 395 4.498 4.229 0.269 1
1 346 . 11 1 1 A 33 33 HIS CA C 395 56.467 58.201 -1.734 1
1 347 . 11 1 1 A 33 33 HIS CB C 395 31.398 30.978 0.420 1
1 350 . 11 1 1 A 33 33 HIS N N 395 115.481 116.106 -0.625 1
1 351 . 11 1 1 A 34 34 PHE H H 396 8.044 7.686 0.358 1
1 352 . 11 1 1 A 34 34 PHE HA H 396 5.398 5.150 0.248 1
1 360 . 11 1 1 A 34 34 PHE CA C 396 56.318 56.310 0.008 1
1 361 . 11 1 1 A 34 34 PHE CB C 396 41.617 42.326 -0.709 1
1 367 . 11 1 1 A 34 34 PHE N N 396 117.547 115.856 1.691 1
1 368 . 11 1 1 A 35 35 SER H H 397 8.603 9.102 -0.499 1
1 369 . 11 1 1 A 35 35 SER HA H 397 4.769 4.857 -0.088 1
1 372 . 11 1 1 A 35 35 SER CA C 397 56.350 58.806 -2.456 1
1 373 . 11 1 1 A 35 35 SER CB C 397 65.912 64.136 1.776 1
1 374 . 11 1 1 A 35 35 SER N N 397 114.732 119.174 -4.442 1
1 375 . 11 1 1 A 36 36 HIS H H 398 9.538 8.791 0.747 1
1 376 . 11 1 1 A 36 36 HIS HA H 398 4.572 5.216 -0.644 1
1 381 . 11 1 1 A 36 36 HIS CA C 398 56.432 53.962 2.470 1
1 382 . 11 1 1 A 36 36 HIS CB C 398 29.935 33.147 -3.212 1
1 385 . 11 1 1 A 36 36 HIS N N 398 120.612 120.613 -0.001 1
1 386 . 11 1 1 A 37 37 PRO HA H 399 3.457 2.757 0.700 1
1 393 . 11 1 1 A 37 37 PRO CA C 399 64.278 63.000 1.278 1
1 394 . 11 1 1 A 37 37 PRO CB C 399 30.979 30.964 0.015 1
1 397 . 11 1 1 A 38 38 GLY H H 400 8.832 8.559 0.273 1
1 398 . 11 1 1 A 38 38 GLY HA2 H 400 3.593 3.777 -0.184 1
1 399 . 11 1 1 A 38 38 GLY HA3 H 400 4.522 3.777 0.745 1
1 400 . 11 1 1 A 38 38 GLY CA C 400 44.843 45.077 -0.234 1
1 401 . 11 1 1 A 38 38 GLY N N 400 115.162 112.248 2.914 1
1 402 . 11 1 1 A 39 39 ASP H H 401 8.505 7.473 1.032 1
1 403 . 11 1 1 A 39 39 ASP HA H 401 4.938 4.963 -0.025 1
1 406 . 11 1 1 A 39 39 ASP CA C 401 54.320 53.032 1.288 1
1 407 . 11 1 1 A 39 39 ASP CB C 401 41.893 43.105 -1.212 1
1 408 . 11 1 1 A 39 39 ASP N N 401 121.905 120.504 1.401 1
1 409 . 11 1 1 A 40 40 SER H H 402 9.378 8.940 0.438 1
1 410 . 11 1 1 A 40 40 SER HA H 402 4.281 4.172 0.109 1
1 413 . 11 1 1 A 40 40 SER CA C 402 61.078 61.866 -0.788 1
1 414 . 11 1 1 A 40 40 SER CB C 402 62.829 62.542 0.287 1
1 415 . 11 1 1 A 40 40 SER N N 402 119.493 118.184 1.309 1
1 416 . 11 1 1 A 41 41 ASP H H 403 8.924 7.847 1.077 1
1 417 . 11 1 1 A 41 41 ASP HA H 403 4.697 4.629 0.068 1
1 420 . 11 1 1 A 41 41 ASP CA C 403 52.287 55.327 -3.040 1
1 421 . 11 1 1 A 41 41 ASP CB C 403 39.077 41.306 -2.229 1
1 422 . 11 1 1 A 41 41 ASP N N 403 116.599 119.360 -2.761 1
1 423 . 11 1 1 A 42 42 TYR H H 404 7.427 7.546 -0.119 1
1 424 . 11 1 1 A 42 42 TYR HA H 404 4.452 4.290 0.162 1
1 431 . 11 1 1 A 42 42 TYR CA C 404 59.218 59.836 -0.618 1
1 432 . 11 1 1 A 42 42 TYR CB C 404 39.543 38.962 0.581 1
1 437 . 11 1 1 A 42 42 TYR N N 404 122.560 122.836 -0.276 1
1 438 . 11 1 1 A 43 43 GLY H H 405 7.715 8.273 -0.558 1
1 439 . 11 1 1 A 43 43 GLY HA2 H 405 3.743 3.990 -0.247 1
1 440 . 11 1 1 A 43 43 GLY HA3 H 405 3.704 4.098 -0.394 1
1 441 . 11 1 1 A 43 43 GLY CA C 405 45.100 45.510 -0.410 1
1 442 . 11 1 1 A 43 43 GLY N N 405 114.997 113.339 1.658 1
1 443 . 11 1 1 A 44 44 GLY H H 406 7.088 8.001 -0.913 1
1 444 . 11 1 1 A 44 44 GLY HA2 H 406 3.887 3.891 -0.004 1
1 445 . 11 1 1 A 44 44 GLY HA3 H 406 3.887 3.906 -0.019 1
1 446 . 11 1 1 A 44 44 GLY CA C 406 45.011 45.949 -0.938 1
1 447 . 11 1 1 A 44 44 GLY N N 406 107.744 110.083 -2.339 1
1 448 . 11 1 1 A 45 45 VAL H H 407 8.064 7.697 0.367 1
1 449 . 11 1 1 A 45 45 VAL HA H 407 4.147 4.253 -0.106 1
1 457 . 11 1 1 A 45 45 VAL CA C 407 62.222 61.064 1.158 1
1 458 . 11 1 1 A 45 45 VAL CB C 407 32.899 30.968 1.931 1
1 461 . 11 1 1 A 45 45 VAL N N 407 119.029 120.972 -1.943 1
1 462 . 11 1 1 A 46 46 GLN H H 408 8.506 8.272 0.234 1
1 463 . 11 1 1 A 46 46 GLN HA H 408 4.433 4.809 -0.376 1
1 470 . 11 1 1 A 46 46 GLN CA C 408 55.631 54.560 1.071 1
1 471 . 11 1 1 A 46 46 GLN CB C 408 29.682 29.648 0.034 1
1 473 . 11 1 1 A 46 46 GLN N N 408 124.737 126.426 -1.689 1
1 475 . 11 1 1 A 47 47 ILE H H 409 8.330 8.803 -0.473 1
1 476 . 11 1 1 A 47 47 ILE HA H 409 4.237 4.462 -0.225 1
1 486 . 11 1 1 A 47 47 ILE CA C 409 60.885 60.544 0.341 1
1 487 . 11 1 1 A 47 47 ILE CB C 409 38.690 36.514 2.176 1
1 491 . 11 1 1 A 47 47 ILE N N 409 123.582 126.030 -2.448 1
1 492 . 11 1 1 A 48 48 VAL H H 410 8.298 8.653 -0.355 1
1 493 . 11 1 1 A 48 48 VAL HA H 410 4.183 4.459 -0.276 1
1 501 . 11 1 1 A 48 48 VAL CA C 410 62.351 60.782 1.569 1
1 502 . 11 1 1 A 48 48 VAL CB C 410 32.841 32.336 0.505 1
1 505 . 11 1 1 A 48 48 VAL N N 410 125.073 126.902 -1.829 1
1 506 . 11 1 1 A 49 49 GLY H H 411 8.609 7.861 0.748 1
1 507 . 11 1 1 A 49 49 GLY HA2 H 411 4.032 4.064 -0.032 1
1 508 . 11 1 1 A 49 49 GLY HA3 H 411 4.008 4.065 -0.057 1
1 509 . 11 1 1 A 49 49 GLY CA C 411 45.281 46.230 -0.949 1
1 510 . 11 1 1 A 49 49 GLY N N 411 113.133 114.757 -1.624 1
1 511 . 11 1 1 A 50 50 GLN H H 412 8.317 8.376 -0.059 1
1 512 . 11 1 1 A 50 50 GLN HA H 412 4.403 4.052 0.351 1
1 519 . 11 1 1 A 50 50 GLN CA C 412 55.872 58.542 -2.670 1
1 520 . 11 1 1 A 50 50 GLN CB C 412 29.678 28.568 1.110 1
1 522 . 11 1 1 A 50 50 GLN N N 412 119.972 117.976 1.996 1
1 524 . 11 1 1 A 51 51 ASP H H 413 8.533 7.913 0.620 1
1 525 . 11 1 1 A 51 51 ASP HA H 413 4.646 4.847 -0.201 1
1 528 . 11 1 1 A 51 51 ASP CA C 413 54.459 53.948 0.511 1
1 529 . 11 1 1 A 51 51 ASP CB C 413 41.215 41.519 -0.304 1
1 530 . 11 1 1 A 51 51 ASP N N 413 121.378 116.069 5.309 1
1 531 . 11 1 1 A 52 52 GLU H H 414 8.457 7.726 0.731 1
1 532 . 11 1 1 A 52 52 GLU HA H 414 4.392 4.528 -0.136 1
1 537 . 11 1 1 A 52 52 GLU CA C 414 56.700 55.691 1.009 1
1 538 . 11 1 1 A 52 52 GLU CB C 414 30.238 30.147 0.091 1
1 540 . 11 1 1 A 52 52 GLU N N 414 121.491 120.835 0.656 1
1 541 . 11 1 1 A 53 53 THR H H 415 8.263 7.786 0.477 1
1 542 . 11 1 1 A 53 53 THR HA H 415 4.306 4.566 -0.260 1
1 547 . 11 1 1 A 53 53 THR CA C 415 62.113 60.270 1.843 1
1 548 . 11 1 1 A 53 53 THR CB C 415 69.912 68.815 1.097 1
1 550 . 11 1 1 A 53 53 THR N N 415 114.960 113.118 1.842 1
1 551 . 11 1 1 A 54 54 ASP H H 416 8.279 8.398 -0.119 1
1 552 . 11 1 1 A 54 54 ASP HA H 416 4.661 4.959 -0.298 1
1 555 . 11 1 1 A 54 54 ASP CA C 416 53.775 53.043 0.732 1
1 556 . 11 1 1 A 54 54 ASP CB C 416 41.188 41.751 -0.563 1
1 557 . 11 1 1 A 54 54 ASP N N 416 123.335 124.398 -1.063 1
1 1 . 12 1 1 A 2 2 PRO HA H 364 4.519 4.782 -0.263 1
1 8 . 12 1 1 A 2 2 PRO CA C 364 63.238 62.604 0.634 1
1 9 . 12 1 1 A 2 2 PRO CB C 364 32.338 30.425 1.913 1
1 12 . 12 1 1 A 3 3 LEU H H 365 8.557 8.214 0.343 1
1 13 . 12 1 1 A 3 3 LEU HA H 365 4.406 4.844 -0.438 1
1 23 . 12 1 1 A 3 3 LEU CA C 365 55.436 53.673 1.763 1
1 24 . 12 1 1 A 3 3 LEU CB C 365 42.304 43.993 -1.689 1
1 28 . 12 1 1 A 3 3 LEU N N 365 122.297 124.172 -1.875 1
1 29 . 12 1 1 A 4 4 GLY H H 366 8.443 9.093 -0.650 1
1 30 . 12 1 1 A 4 4 GLY HA2 H 366 4.040 4.254 -0.214 1
1 31 . 12 1 1 A 4 4 GLY HA3 H 366 4.056 4.258 -0.202 1
1 32 . 12 1 1 A 4 4 GLY CA C 366 45.361 43.987 1.374 1
1 33 . 12 1 1 A 4 4 GLY N N 366 110.040 114.772 -4.732 1
1 34 . 12 1 1 A 5 5 SER H H 367 8.374 8.710 -0.336 1
1 35 . 12 1 1 A 5 5 SER HA H 367 4.521 4.781 -0.260 1
1 38 . 12 1 1 A 5 5 SER CA C 367 58.573 56.883 1.690 1
1 39 . 12 1 1 A 5 5 SER CB C 367 64.058 64.681 -0.623 1
1 40 . 12 1 1 A 5 5 SER N N 367 116.007 117.529 -1.522 1
1 41 . 12 1 1 A 6 6 GLY H H 368 8.639 8.284 0.355 1
1 42 . 12 1 1 A 6 6 GLY HA2 H 368 4.095 4.063 0.032 1
1 43 . 12 1 1 A 6 6 GLY HA3 H 368 4.067 4.069 -0.002 1
1 44 . 12 1 1 A 6 6 GLY CA C 368 45.494 44.999 0.495 1
1 45 . 12 1 1 A 6 6 GLY N N 368 111.362 115.239 -3.877 1
1 46 . 12 1 1 A 7 7 SER H H 369 8.313 8.417 -0.104 1
1 47 . 12 1 1 A 7 7 SER HA H 369 4.516 5.107 -0.591 1
1 50 . 12 1 1 A 7 7 SER CA C 369 58.583 56.786 1.797 1
1 51 . 12 1 1 A 7 7 SER CB C 369 63.973 64.852 -0.879 1
1 52 . 12 1 1 A 7 7 SER N N 369 115.885 120.335 -4.450 1
1 53 . 12 1 1 A 8 8 GLU H H 370 8.630 8.868 -0.238 1
1 54 . 12 1 1 A 8 8 GLU HA H 370 4.330 4.726 -0.396 1
1 59 . 12 1 1 A 8 8 GLU CA C 370 57.138 55.364 1.774 1
1 60 . 12 1 1 A 8 8 GLU CB C 370 29.984 32.558 -2.574 1
1 62 . 12 1 1 A 8 8 GLU N N 370 122.682 126.427 -3.745 1
1 63 . 12 1 1 A 9 9 GLY H H 371 8.394 8.585 -0.191 1
1 64 . 12 1 1 A 9 9 GLY HA2 H 371 3.976 4.022 -0.046 1
1 65 . 12 1 1 A 9 9 GLY HA3 H 371 3.976 4.040 -0.064 1
1 66 . 12 1 1 A 9 9 GLY CA C 371 45.469 46.376 -0.907 1
1 67 . 12 1 1 A 9 9 GLY N N 371 109.245 109.943 -0.698 1
1 68 . 12 1 1 A 10 10 ASN H H 372 8.283 8.241 0.042 1
1 69 . 12 1 1 A 10 10 ASN HA H 372 4.732 4.984 -0.252 1
1 74 . 12 1 1 A 10 10 ASN CA C 372 53.263 54.178 -0.915 1
1 75 . 12 1 1 A 10 10 ASN CB C 372 38.961 41.191 -2.230 1
1 76 . 12 1 1 A 10 10 ASN N N 372 118.662 115.856 2.806 1
1 78 . 12 1 1 A 11 11 LYS H H 373 8.264 7.878 0.386 1
1 79 . 12 1 1 A 11 11 LYS HA H 373 4.360 4.503 -0.143 1
1 88 . 12 1 1 A 11 11 LYS CA C 373 56.413 55.169 1.244 1
1 89 . 12 1 1 A 11 11 LYS CB C 373 33.054 32.900 0.154 1
1 93 . 12 1 1 A 11 11 LYS N N 373 121.729 117.472 4.257 1
1 94 . 12 1 1 A 12 12 VAL H H 374 8.114 7.609 0.505 1
1 95 . 12 1 1 A 12 12 VAL HA H 374 4.086 4.893 -0.807 1
1 103 . 12 1 1 A 12 12 VAL CA C 374 62.169 59.361 2.808 1
1 104 . 12 1 1 A 12 12 VAL CB C 374 32.862 35.862 -3.000 1
1 107 . 12 1 1 A 12 12 VAL N N 374 121.704 119.947 1.757 1
1 108 . 12 1 1 A 13 13 LYS H H 375 8.415 8.295 0.120 1
1 109 . 12 1 1 A 13 13 LYS HA H 375 4.383 4.402 -0.019 1
1 118 . 12 1 1 A 13 13 LYS CA C 375 55.989 55.392 0.597 1
1 119 . 12 1 1 A 13 13 LYS CB C 375 33.159 32.096 1.063 1
1 123 . 12 1 1 A 13 13 LYS N N 375 126.419 126.403 0.016 1
1 124 . 12 1 1 A 14 14 ARG H H 376 8.753 8.041 0.712 1
1 125 . 12 1 1 A 14 14 ARG HA H 376 4.363 4.278 0.085 1
1 132 . 12 1 1 A 14 14 ARG CA C 376 56.293 56.818 -0.525 1
1 133 . 12 1 1 A 14 14 ARG CB C 376 32.331 30.730 1.601 1
1 136 . 12 1 1 A 14 14 ARG N N 376 123.397 126.872 -3.475 1
1 137 . 12 1 1 A 15 15 THR H H 377 8.081 8.173 -0.092 1
1 138 . 12 1 1 A 15 15 THR HA H 377 4.398 4.377 0.021 1
1 143 . 12 1 1 A 15 15 THR CA C 377 61.533 62.659 -1.126 1
1 144 . 12 1 1 A 15 15 THR CB C 377 70.409 69.655 0.754 1
1 146 . 12 1 1 A 15 15 THR N N 377 117.600 117.859 -0.259 1
1 147 . 12 1 1 A 16 16 SER H H 378 8.614 8.402 0.212 1
1 148 . 12 1 1 A 16 16 SER HA H 378 4.853 4.388 0.465 1
1 151 . 12 1 1 A 16 16 SER CA C 378 59.098 58.813 0.285 1
1 152 . 12 1 1 A 16 16 SER CB C 378 63.763 63.464 0.299 1
1 153 . 12 1 1 A 16 16 SER N N 378 121.120 121.607 -0.487 1
1 154 . 12 1 1 A 17 17 CYS H H 379 9.252 8.281 0.971 1
1 155 . 12 1 1 A 17 17 CYS HA H 379 3.994 4.633 -0.639 1
1 158 . 12 1 1 A 17 17 CYS CA C 379 60.962 59.222 1.740 1
1 159 . 12 1 1 A 17 17 CYS CB C 379 29.581 28.974 0.607 1
1 160 . 12 1 1 A 17 17 CYS N N 379 127.790 124.284 3.506 1
1 161 . 12 1 1 A 18 18 MET H H 380 8.831 8.765 0.066 1
1 162 . 12 1 1 A 18 18 MET HA H 380 4.212 4.027 0.185 1
1 170 . 12 1 1 A 18 18 MET CA C 380 58.209 57.778 0.431 1
1 171 . 12 1 1 A 18 18 MET CB C 380 31.936 31.573 0.363 1
1 174 . 12 1 1 A 18 18 MET N N 380 130.017 124.697 5.320 1
1 175 . 12 1 1 A 19 19 TYR H H 381 8.701 7.539 1.162 1
1 176 . 12 1 1 A 19 19 TYR HA H 381 4.579 4.525 0.054 1
1 183 . 12 1 1 A 19 19 TYR CA C 381 58.762 58.833 -0.071 1
1 184 . 12 1 1 A 19 19 TYR CB C 381 37.595 38.740 -1.145 1
1 189 . 12 1 1 A 19 19 TYR N N 381 120.369 118.260 2.109 1
1 190 . 12 1 1 A 20 20 GLY H H 382 7.760 7.957 -0.197 1
1 191 . 12 1 1 A 20 20 GLY HA2 H 382 3.710 3.991 -0.281 1
1 192 . 12 1 1 A 20 20 GLY HA3 H 382 4.085 4.062 0.023 1
1 193 . 12 1 1 A 20 20 GLY CA C 382 47.627 47.452 0.175 1
1 194 . 12 1 1 A 20 20 GLY N N 382 107.481 108.465 -0.984 1
1 195 . 12 1 1 A 21 21 ALA H H 383 9.248 8.297 0.951 1
1 196 . 12 1 1 A 21 21 ALA HA H 383 4.354 4.409 -0.055 1
1 200 . 12 1 1 A 21 21 ALA CA C 383 53.398 52.265 1.133 1
1 201 . 12 1 1 A 21 21 ALA CB C 383 18.808 19.734 -0.926 1
1 202 . 12 1 1 A 21 21 ALA N N 383 128.449 129.266 -0.817 1
1 203 . 12 1 1 A 22 22 ASN H H 384 8.261 7.847 0.414 1
1 204 . 12 1 1 A 22 22 ASN HA H 384 4.944 5.116 -0.172 1
1 209 . 12 1 1 A 22 22 ASN CA C 384 52.140 52.855 -0.715 1
1 210 . 12 1 1 A 22 22 ASN CB C 384 38.940 39.678 -0.738 1
1 211 . 12 1 1 A 22 22 ASN N N 384 115.516 115.694 -0.178 1
1 213 . 12 1 1 A 23 23 CYS H H 385 7.174 7.743 -0.569 1
1 214 . 12 1 1 A 23 23 CYS HA H 385 3.736 3.830 -0.094 1
1 217 . 12 1 1 A 23 23 CYS CA C 385 61.867 58.325 3.542 1
1 218 . 12 1 1 A 23 23 CYS CB C 385 29.434 26.868 2.566 1
1 219 . 12 1 1 A 23 23 CYS N N 385 121.580 121.110 0.470 1
1 220 . 12 1 1 A 24 24 TYR H H 386 7.680 7.650 0.030 1
1 221 . 12 1 1 A 24 24 TYR HA H 386 4.858 4.164 0.694 1
1 228 . 12 1 1 A 24 24 TYR CA C 386 56.348 60.015 -3.667 1
1 229 . 12 1 1 A 24 24 TYR CB C 386 38.216 37.616 0.600 1
1 234 . 12 1 1 A 24 24 TYR N N 386 126.676 124.909 1.767 1
1 235 . 12 1 1 A 25 25 ARG H H 387 7.988 6.448 1.540 1
1 236 . 12 1 1 A 25 25 ARG HA H 387 4.054 4.447 -0.393 1
1 243 . 12 1 1 A 25 25 ARG CA C 387 56.282 55.524 0.758 1
1 244 . 12 1 1 A 25 25 ARG CB C 387 29.894 31.298 -1.404 1
1 247 . 12 1 1 A 25 25 ARG N N 387 123.491 117.992 5.499 1
1 248 . 12 1 1 A 26 26 LYS H H 388 8.951 8.798 0.153 1
1 249 . 12 1 1 A 26 26 LYS HA H 388 4.635 4.764 -0.129 1
1 258 . 12 1 1 A 26 26 LYS CA C 388 55.605 54.885 0.720 1
1 259 . 12 1 1 A 26 26 LYS CB C 388 34.387 35.897 -1.510 1
1 263 . 12 1 1 A 26 26 LYS N N 388 118.569 118.334 0.235 1
1 264 . 12 1 1 A 27 27 ASN H H 389 8.400 8.699 -0.299 1
1 265 . 12 1 1 A 27 27 ASN HA H 389 4.950 5.228 -0.278 1
1 270 . 12 1 1 A 27 27 ASN CA C 389 51.827 50.009 1.818 1
1 271 . 12 1 1 A 27 27 ASN CB C 389 39.171 39.106 0.065 1
1 272 . 12 1 1 A 27 27 ASN N N 389 122.702 121.177 1.525 1
1 274 . 12 1 1 A 28 28 PRO HA H 390 4.595 4.522 0.073 1
1 281 . 12 1 1 A 28 28 PRO CA C 390 65.632 64.839 0.793 1
1 282 . 12 1 1 A 28 28 PRO CB C 390 32.574 32.183 0.391 1
1 285 . 12 1 1 A 29 29 VAL H H 391 8.337 7.653 0.684 1
1 286 . 12 1 1 A 29 29 VAL HA H 391 3.818 4.398 -0.580 1
1 294 . 12 1 1 A 29 29 VAL CA C 391 65.608 64.441 1.167 1
1 295 . 12 1 1 A 29 29 VAL CB C 391 31.546 31.767 -0.221 1
1 298 . 12 1 1 A 29 29 VAL N N 391 117.431 116.252 1.179 1
1 299 . 12 1 1 A 30 30 HIS H H 392 8.037 8.133 -0.096 1
1 300 . 12 1 1 A 30 30 HIS HA H 392 4.565 4.119 0.446 1
1 305 . 12 1 1 A 30 30 HIS CA C 392 60.297 59.285 1.012 1
1 306 . 12 1 1 A 30 30 HIS CB C 392 27.700 29.969 -2.269 1
1 309 . 12 1 1 A 30 30 HIS N N 392 120.267 120.449 -0.182 1
1 310 . 12 1 1 A 31 31 PHE H H 393 7.059 8.212 -1.153 1
1 311 . 12 1 1 A 31 31 PHE HA H 393 4.465 4.454 0.011 1
1 319 . 12 1 1 A 31 31 PHE CA C 393 59.951 61.655 -1.704 1
1 320 . 12 1 1 A 31 31 PHE CB C 393 38.577 38.425 0.152 1
1 326 . 12 1 1 A 31 31 PHE N N 393 114.802 118.013 -3.211 1
1 327 . 12 1 1 A 32 32 GLN H H 394 7.671 8.060 -0.389 1
1 328 . 12 1 1 A 32 32 GLN HA H 394 4.261 4.260 0.001 1
1 335 . 12 1 1 A 32 32 GLN CA C 394 57.393 58.859 -1.466 1
1 336 . 12 1 1 A 32 32 GLN CB C 394 28.710 28.846 -0.136 1
1 338 . 12 1 1 A 32 32 GLN N N 394 117.129 119.396 -2.267 1
1 340 . 12 1 1 A 33 33 HIS H H 395 7.581 7.523 0.058 1
1 341 . 12 1 1 A 33 33 HIS HA H 395 4.498 4.137 0.361 1
1 346 . 12 1 1 A 33 33 HIS CA C 395 56.467 58.204 -1.737 1
1 347 . 12 1 1 A 33 33 HIS CB C 395 31.398 30.592 0.806 1
1 350 . 12 1 1 A 33 33 HIS N N 395 115.481 115.695 -0.214 1
1 351 . 12 1 1 A 34 34 PHE H H 396 8.044 7.757 0.287 1
1 352 . 12 1 1 A 34 34 PHE HA H 396 5.398 5.161 0.237 1
1 360 . 12 1 1 A 34 34 PHE CA C 396 56.318 56.067 0.251 1
1 361 . 12 1 1 A 34 34 PHE CB C 396 41.617 42.485 -0.868 1
1 367 . 12 1 1 A 34 34 PHE N N 396 117.547 115.937 1.610 1
1 368 . 12 1 1 A 35 35 SER H H 397 8.603 9.574 -0.971 1
1 369 . 12 1 1 A 35 35 SER HA H 397 4.769 5.055 -0.286 1
1 372 . 12 1 1 A 35 35 SER CA C 397 56.350 57.720 -1.370 1
1 373 . 12 1 1 A 35 35 SER CB C 397 65.912 64.838 1.074 1
1 374 . 12 1 1 A 35 35 SER N N 397 114.732 118.318 -3.586 1
1 375 . 12 1 1 A 36 36 HIS H H 398 9.538 8.910 0.628 1
1 376 . 12 1 1 A 36 36 HIS HA H 398 4.572 5.202 -0.630 1
1 381 . 12 1 1 A 36 36 HIS CA C 398 56.432 53.950 2.482 1
1 382 . 12 1 1 A 36 36 HIS CB C 398 29.935 33.197 -3.262 1
1 385 . 12 1 1 A 36 36 HIS N N 398 120.612 118.794 1.818 1
1 386 . 12 1 1 A 37 37 PRO HA H 399 3.457 3.187 0.270 1
1 393 . 12 1 1 A 37 37 PRO CA C 399 64.278 63.261 1.017 1
1 394 . 12 1 1 A 37 37 PRO CB C 399 30.979 31.011 -0.032 1
1 397 . 12 1 1 A 38 38 GLY H H 400 8.832 8.648 0.184 1
1 398 . 12 1 1 A 38 38 GLY HA2 H 400 3.593 3.777 -0.184 1
1 399 . 12 1 1 A 38 38 GLY HA3 H 400 4.522 3.781 0.741 1
1 400 . 12 1 1 A 38 38 GLY CA C 400 44.843 45.069 -0.226 1
1 401 . 12 1 1 A 38 38 GLY N N 400 115.162 112.191 2.971 1
1 402 . 12 1 1 A 39 39 ASP H H 401 8.505 7.427 1.078 1
1 403 . 12 1 1 A 39 39 ASP HA H 401 4.938 5.050 -0.112 1
1 406 . 12 1 1 A 39 39 ASP CA C 401 54.320 53.001 1.319 1
1 407 . 12 1 1 A 39 39 ASP CB C 401 41.893 43.233 -1.340 1
1 408 . 12 1 1 A 39 39 ASP N N 401 121.905 120.644 1.261 1
1 409 . 12 1 1 A 40 40 SER H H 402 9.378 8.935 0.443 1
1 410 . 12 1 1 A 40 40 SER HA H 402 4.281 4.166 0.115 1
1 413 . 12 1 1 A 40 40 SER CA C 402 61.078 61.541 -0.463 1
1 414 . 12 1 1 A 40 40 SER CB C 402 62.829 62.585 0.244 1
1 415 . 12 1 1 A 40 40 SER N N 402 119.493 118.160 1.333 1
1 416 . 12 1 1 A 41 41 ASP H H 403 8.924 7.848 1.076 1
1 417 . 12 1 1 A 41 41 ASP HA H 403 4.697 4.672 0.025 1
1 420 . 12 1 1 A 41 41 ASP CA C 403 52.287 54.712 -2.425 1
1 421 . 12 1 1 A 41 41 ASP CB C 403 39.077 41.199 -2.122 1
1 422 . 12 1 1 A 41 41 ASP N N 403 116.599 119.401 -2.802 1
1 423 . 12 1 1 A 42 42 TYR H H 404 7.427 7.405 0.022 1
1 424 . 12 1 1 A 42 42 TYR HA H 404 4.452 4.275 0.177 1
1 431 . 12 1 1 A 42 42 TYR CA C 404 59.218 59.443 -0.225 1
1 432 . 12 1 1 A 42 42 TYR CB C 404 39.543 39.143 0.400 1
1 437 . 12 1 1 A 42 42 TYR N N 404 122.560 123.269 -0.709 1
1 438 . 12 1 1 A 43 43 GLY H H 405 7.715 8.569 -0.854 1
1 439 . 12 1 1 A 43 43 GLY HA2 H 405 3.743 3.679 0.064 1
1 440 . 12 1 1 A 43 43 GLY HA3 H 405 3.704 3.734 -0.030 1
1 441 . 12 1 1 A 43 43 GLY CA C 405 45.100 46.705 -1.605 1
1 442 . 12 1 1 A 43 43 GLY N N 405 114.997 113.398 1.599 1
1 443 . 12 1 1 A 44 44 GLY H H 406 7.088 6.873 0.215 1
1 444 . 12 1 1 A 44 44 GLY HA2 H 406 3.887 3.642 0.245 1
1 445 . 12 1 1 A 44 44 GLY HA3 H 406 3.887 3.867 0.020 1
1 446 . 12 1 1 A 44 44 GLY CA C 406 45.011 45.246 -0.235 1
1 447 . 12 1 1 A 44 44 GLY N N 406 107.744 106.178 1.566 1
1 448 . 12 1 1 A 45 45 VAL H H 407 8.064 7.912 0.152 1
1 449 . 12 1 1 A 45 45 VAL HA H 407 4.147 3.796 0.351 1
1 457 . 12 1 1 A 45 45 VAL CA C 407 62.222 62.422 -0.200 1
1 458 . 12 1 1 A 45 45 VAL CB C 407 32.899 30.464 2.435 1
1 461 . 12 1 1 A 45 45 VAL N N 407 119.029 111.244 7.785 1
1 462 . 12 1 1 A 46 46 GLN H H 408 8.506 7.913 0.593 1
1 463 . 12 1 1 A 46 46 GLN HA H 408 4.433 5.017 -0.584 1
1 470 . 12 1 1 A 46 46 GLN CA C 408 55.631 54.929 0.702 1
1 471 . 12 1 1 A 46 46 GLN CB C 408 29.682 29.697 -0.015 1
1 473 . 12 1 1 A 46 46 GLN N N 408 124.737 120.570 4.167 1
1 475 . 12 1 1 A 47 47 ILE H H 409 8.330 8.933 -0.603 1
1 476 . 12 1 1 A 47 47 ILE HA H 409 4.237 4.507 -0.270 1
1 486 . 12 1 1 A 47 47 ILE CA C 409 60.885 60.632 0.253 1
1 487 . 12 1 1 A 47 47 ILE CB C 409 38.690 37.465 1.225 1
1 491 . 12 1 1 A 47 47 ILE N N 409 123.582 126.210 -2.628 1
1 492 . 12 1 1 A 48 48 VAL H H 410 8.298 8.604 -0.306 1
1 493 . 12 1 1 A 48 48 VAL HA H 410 4.183 4.364 -0.181 1
1 501 . 12 1 1 A 48 48 VAL CA C 410 62.351 60.945 1.406 1
1 502 . 12 1 1 A 48 48 VAL CB C 410 32.841 32.301 0.540 1
1 505 . 12 1 1 A 48 48 VAL N N 410 125.073 127.250 -2.177 1
1 506 . 12 1 1 A 49 49 GLY H H 411 8.609 8.168 0.441 1
1 507 . 12 1 1 A 49 49 GLY HA2 H 411 4.032 3.979 0.053 1
1 508 . 12 1 1 A 49 49 GLY HA3 H 411 4.008 3.980 0.028 1
1 509 . 12 1 1 A 49 49 GLY CA C 411 45.281 45.181 0.100 1
1 510 . 12 1 1 A 49 49 GLY N N 411 113.133 117.862 -4.729 1
1 511 . 12 1 1 A 50 50 GLN H H 412 8.317 8.159 0.158 1
1 512 . 12 1 1 A 50 50 GLN HA H 412 4.403 4.056 0.347 1
1 519 . 12 1 1 A 50 50 GLN CA C 412 55.872 57.202 -1.330 1
1 520 . 12 1 1 A 50 50 GLN CB C 412 29.678 26.806 2.872 1
1 522 . 12 1 1 A 50 50 GLN N N 412 119.972 115.327 4.645 1
1 524 . 12 1 1 A 51 51 ASP H H 413 8.533 8.520 0.013 1
1 525 . 12 1 1 A 51 51 ASP HA H 413 4.646 4.344 0.302 1
1 528 . 12 1 1 A 51 51 ASP CA C 413 54.459 55.257 -0.798 1
1 529 . 12 1 1 A 51 51 ASP CB C 413 41.215 39.968 1.247 1
1 530 . 12 1 1 A 51 51 ASP N N 413 121.378 117.500 3.878 1
1 531 . 12 1 1 A 52 52 GLU H H 414 8.457 7.667 0.790 1
1 532 . 12 1 1 A 52 52 GLU HA H 414 4.392 4.578 -0.186 1
1 537 . 12 1 1 A 52 52 GLU CA C 414 56.700 55.562 1.138 1
1 538 . 12 1 1 A 52 52 GLU CB C 414 30.238 30.169 0.069 1
1 540 . 12 1 1 A 52 52 GLU N N 414 121.491 118.814 2.677 1
1 541 . 12 1 1 A 53 53 THR H H 415 8.263 7.838 0.425 1
1 542 . 12 1 1 A 53 53 THR HA H 415 4.306 4.641 -0.335 1
1 547 . 12 1 1 A 53 53 THR CA C 415 62.113 60.065 2.048 1
1 548 . 12 1 1 A 53 53 THR CB C 415 69.912 68.600 1.312 1
1 550 . 12 1 1 A 53 53 THR N N 415 114.960 112.512 2.448 1
1 551 . 12 1 1 A 54 54 ASP H H 416 8.279 8.177 0.102 1
1 552 . 12 1 1 A 54 54 ASP HA H 416 4.661 4.278 0.383 1
1 555 . 12 1 1 A 54 54 ASP CA C 416 53.775 55.088 -1.313 1
1 556 . 12 1 1 A 54 54 ASP CB C 416 41.188 40.056 1.132 1
1 557 . 12 1 1 A 54 54 ASP N N 416 123.335 119.254 4.081 1
1 1 . 13 1 1 A 2 2 PRO HA H 364 4.519 4.767 -0.248 1
1 8 . 13 1 1 A 2 2 PRO CA C 364 63.238 62.777 0.461 1
1 9 . 13 1 1 A 2 2 PRO CB C 364 32.338 33.264 -0.926 1
1 12 . 13 1 1 A 3 3 LEU H H 365 8.557 8.729 -0.172 1
1 13 . 13 1 1 A 3 3 LEU HA H 365 4.406 4.485 -0.079 1
1 23 . 13 1 1 A 3 3 LEU CA C 365 55.436 56.152 -0.716 1
1 24 . 13 1 1 A 3 3 LEU CB C 365 42.304 44.455 -2.151 1
1 28 . 13 1 1 A 3 3 LEU N N 365 122.297 120.548 1.749 1
1 29 . 13 1 1 A 4 4 GLY H H 366 8.443 7.581 0.862 1
1 30 . 13 1 1 A 4 4 GLY HA2 H 366 4.040 4.032 0.008 1
1 31 . 13 1 1 A 4 4 GLY HA3 H 366 4.056 4.039 0.017 1
1 32 . 13 1 1 A 4 4 GLY CA C 366 45.361 44.880 0.481 1
1 33 . 13 1 1 A 4 4 GLY N N 366 110.040 106.385 3.655 1
1 34 . 13 1 1 A 5 5 SER H H 367 8.374 8.462 -0.088 1
1 35 . 13 1 1 A 5 5 SER HA H 367 4.521 5.125 -0.604 1
1 38 . 13 1 1 A 5 5 SER CA C 367 58.573 56.377 2.196 1
1 39 . 13 1 1 A 5 5 SER CB C 367 64.058 66.224 -2.166 1
1 40 . 13 1 1 A 5 5 SER N N 367 116.007 115.951 0.056 1
1 41 . 13 1 1 A 6 6 GLY H H 368 8.639 8.857 -0.218 1
1 42 . 13 1 1 A 6 6 GLY HA2 H 368 4.095 4.077 0.018 1
1 43 . 13 1 1 A 6 6 GLY HA3 H 368 4.067 4.078 -0.011 1
1 44 . 13 1 1 A 6 6 GLY CA C 368 45.494 44.895 0.599 1
1 45 . 13 1 1 A 6 6 GLY N N 368 111.362 112.369 -1.007 1
1 46 . 13 1 1 A 7 7 SER H H 369 8.313 8.437 -0.124 1
1 47 . 13 1 1 A 7 7 SER HA H 369 4.516 4.792 -0.276 1
1 50 . 13 1 1 A 7 7 SER CA C 369 58.583 57.219 1.364 1
1 51 . 13 1 1 A 7 7 SER CB C 369 63.973 63.640 0.333 1
1 52 . 13 1 1 A 7 7 SER N N 369 115.885 112.595 3.290 1
1 53 . 13 1 1 A 8 8 GLU H H 370 8.630 7.618 1.012 1
1 54 . 13 1 1 A 8 8 GLU HA H 370 4.330 4.683 -0.353 1
1 59 . 13 1 1 A 8 8 GLU CA C 370 57.138 55.411 1.727 1
1 60 . 13 1 1 A 8 8 GLU CB C 370 29.984 33.444 -3.460 1
1 62 . 13 1 1 A 8 8 GLU N N 370 122.682 121.519 1.163 1
1 63 . 13 1 1 A 9 9 GLY H H 371 8.394 8.816 -0.422 1
1 64 . 13 1 1 A 9 9 GLY HA2 H 371 3.976 3.860 0.116 1
1 65 . 13 1 1 A 9 9 GLY HA3 H 371 3.976 3.897 0.079 1
1 66 . 13 1 1 A 9 9 GLY CA C 371 45.469 46.827 -1.358 1
1 67 . 13 1 1 A 9 9 GLY N N 371 109.245 110.492 -1.247 1
1 68 . 13 1 1 A 10 10 ASN H H 372 8.283 7.944 0.339 1
1 69 . 13 1 1 A 10 10 ASN HA H 372 4.732 5.040 -0.308 1
1 74 . 13 1 1 A 10 10 ASN CA C 372 53.263 52.066 1.197 1
1 75 . 13 1 1 A 10 10 ASN CB C 372 38.961 39.150 -0.189 1
1 76 . 13 1 1 A 10 10 ASN N N 372 118.662 117.707 0.955 1
1 78 . 13 1 1 A 11 11 LYS H H 373 8.264 8.053 0.211 1
1 79 . 13 1 1 A 11 11 LYS HA H 373 4.360 3.833 0.527 1
1 88 . 13 1 1 A 11 11 LYS CA C 373 56.413 57.117 -0.704 1
1 89 . 13 1 1 A 11 11 LYS CB C 373 33.054 30.162 2.892 1
1 93 . 13 1 1 A 11 11 LYS N N 373 121.729 115.171 6.558 1
1 94 . 13 1 1 A 12 12 VAL H H 374 8.114 7.782 0.332 1
1 95 . 13 1 1 A 12 12 VAL HA H 374 4.086 4.770 -0.684 1
1 103 . 13 1 1 A 12 12 VAL CA C 374 62.169 59.453 2.716 1
1 104 . 13 1 1 A 12 12 VAL CB C 374 32.862 35.805 -2.943 1
1 107 . 13 1 1 A 12 12 VAL N N 374 121.704 118.057 3.647 1
1 108 . 13 1 1 A 13 13 LYS H H 375 8.415 8.150 0.265 1
1 109 . 13 1 1 A 13 13 LYS HA H 375 4.383 4.671 -0.288 1
1 118 . 13 1 1 A 13 13 LYS CA C 375 55.989 55.743 0.246 1
1 119 . 13 1 1 A 13 13 LYS CB C 375 33.159 32.026 1.133 1
1 123 . 13 1 1 A 13 13 LYS N N 375 126.419 125.186 1.233 1
1 124 . 13 1 1 A 14 14 ARG H H 376 8.753 8.051 0.702 1
1 125 . 13 1 1 A 14 14 ARG HA H 376 4.363 4.270 0.093 1
1 132 . 13 1 1 A 14 14 ARG CA C 376 56.293 56.502 -0.209 1
1 133 . 13 1 1 A 14 14 ARG CB C 376 32.331 30.609 1.722 1
1 136 . 13 1 1 A 14 14 ARG N N 376 123.397 124.719 -1.322 1
1 137 . 13 1 1 A 15 15 THR H H 377 8.081 8.309 -0.228 1
1 138 . 13 1 1 A 15 15 THR HA H 377 4.398 4.428 -0.030 1
1 143 . 13 1 1 A 15 15 THR CA C 377 61.533 62.511 -0.978 1
1 144 . 13 1 1 A 15 15 THR CB C 377 70.409 69.671 0.738 1
1 146 . 13 1 1 A 15 15 THR N N 377 117.600 117.814 -0.214 1
1 147 . 13 1 1 A 16 16 SER H H 378 8.614 8.397 0.217 1
1 148 . 13 1 1 A 16 16 SER HA H 378 4.853 4.401 0.452 1
1 151 . 13 1 1 A 16 16 SER CA C 378 59.098 58.007 1.091 1
1 152 . 13 1 1 A 16 16 SER CB C 378 63.763 64.179 -0.416 1
1 153 . 13 1 1 A 16 16 SER N N 378 121.120 120.795 0.325 1
1 154 . 13 1 1 A 17 17 CYS H H 379 9.252 8.344 0.908 1
1 155 . 13 1 1 A 17 17 CYS HA H 379 3.994 4.657 -0.663 1
1 158 . 13 1 1 A 17 17 CYS CA C 379 60.962 59.232 1.730 1
1 159 . 13 1 1 A 17 17 CYS CB C 379 29.581 28.546 1.035 1
1 160 . 13 1 1 A 17 17 CYS N N 379 127.790 123.172 4.618 1
1 161 . 13 1 1 A 18 18 MET H H 380 8.831 8.893 -0.062 1
1 162 . 13 1 1 A 18 18 MET HA H 380 4.212 4.056 0.156 1
1 170 . 13 1 1 A 18 18 MET CA C 380 58.209 58.177 0.032 1
1 171 . 13 1 1 A 18 18 MET CB C 380 31.936 31.710 0.226 1
1 174 . 13 1 1 A 18 18 MET N N 380 130.017 124.756 5.261 1
1 175 . 13 1 1 A 19 19 TYR H H 381 8.701 7.677 1.024 1
1 176 . 13 1 1 A 19 19 TYR HA H 381 4.579 4.392 0.187 1
1 183 . 13 1 1 A 19 19 TYR CA C 381 58.762 60.618 -1.856 1
1 184 . 13 1 1 A 19 19 TYR CB C 381 37.595 38.686 -1.091 1
1 189 . 13 1 1 A 19 19 TYR N N 381 120.369 118.651 1.718 1
1 190 . 13 1 1 A 20 20 GLY H H 382 7.760 8.257 -0.497 1
1 191 . 13 1 1 A 20 20 GLY HA2 H 382 3.710 4.043 -0.333 1
1 192 . 13 1 1 A 20 20 GLY HA3 H 382 4.085 4.141 -0.056 1
1 193 . 13 1 1 A 20 20 GLY CA C 382 47.627 47.481 0.146 1
1 194 . 13 1 1 A 20 20 GLY N N 382 107.481 108.250 -0.769 1
1 195 . 13 1 1 A 21 21 ALA H H 383 9.248 8.273 0.975 1
1 196 . 13 1 1 A 21 21 ALA HA H 383 4.354 4.371 -0.017 1
1 200 . 13 1 1 A 21 21 ALA CA C 383 53.398 52.278 1.120 1
1 201 . 13 1 1 A 21 21 ALA CB C 383 18.808 19.634 -0.826 1
1 202 . 13 1 1 A 21 21 ALA N N 383 128.449 129.263 -0.814 1
1 203 . 13 1 1 A 22 22 ASN H H 384 8.261 8.099 0.162 1
1 204 . 13 1 1 A 22 22 ASN HA H 384 4.944 4.975 -0.031 1
1 209 . 13 1 1 A 22 22 ASN CA C 384 52.140 52.916 -0.776 1
1 210 . 13 1 1 A 22 22 ASN CB C 384 38.940 40.038 -1.098 1
1 211 . 13 1 1 A 22 22 ASN N N 384 115.516 115.535 -0.019 1
1 213 . 13 1 1 A 23 23 CYS H H 385 7.174 7.611 -0.437 1
1 214 . 13 1 1 A 23 23 CYS HA H 385 3.736 3.834 -0.098 1
1 217 . 13 1 1 A 23 23 CYS CA C 385 61.867 59.715 2.152 1
1 218 . 13 1 1 A 23 23 CYS CB C 385 29.434 28.532 0.902 1
1 219 . 13 1 1 A 23 23 CYS N N 385 121.580 120.181 1.399 1
1 220 . 13 1 1 A 24 24 TYR H H 386 7.680 7.895 -0.215 1
1 221 . 13 1 1 A 24 24 TYR HA H 386 4.858 4.413 0.445 1
1 228 . 13 1 1 A 24 24 TYR CA C 386 56.348 58.121 -1.773 1
1 229 . 13 1 1 A 24 24 TYR CB C 386 38.216 39.205 -0.989 1
1 234 . 13 1 1 A 24 24 TYR N N 386 126.676 123.987 2.689 1
1 235 . 13 1 1 A 25 25 ARG H H 387 7.988 6.801 1.187 1
1 236 . 13 1 1 A 25 25 ARG HA H 387 4.054 3.279 0.775 1
1 243 . 13 1 1 A 25 25 ARG CA C 387 56.282 56.210 0.072 1
1 244 . 13 1 1 A 25 25 ARG CB C 387 29.894 28.043 1.851 1
1 247 . 13 1 1 A 25 25 ARG N N 387 123.491 118.844 4.647 1
1 248 . 13 1 1 A 26 26 LYS H H 388 8.951 8.781 0.170 1
1 249 . 13 1 1 A 26 26 LYS HA H 388 4.635 4.568 0.067 1
1 258 . 13 1 1 A 26 26 LYS CA C 388 55.605 57.032 -1.427 1
1 259 . 13 1 1 A 26 26 LYS CB C 388 34.387 33.479 0.908 1
1 263 . 13 1 1 A 26 26 LYS N N 388 118.569 120.414 -1.845 1
1 264 . 13 1 1 A 27 27 ASN H H 389 8.400 7.467 0.933 1
1 265 . 13 1 1 A 27 27 ASN HA H 389 4.950 5.248 -0.298 1
1 270 . 13 1 1 A 27 27 ASN CA C 389 51.827 49.857 1.970 1
1 271 . 13 1 1 A 27 27 ASN CB C 389 39.171 40.032 -0.861 1
1 272 . 13 1 1 A 27 27 ASN N N 389 122.702 117.917 4.785 1
1 274 . 13 1 1 A 28 28 PRO HA H 390 4.595 4.622 -0.027 1
1 281 . 13 1 1 A 28 28 PRO CA C 390 65.632 65.418 0.214 1
1 282 . 13 1 1 A 28 28 PRO CB C 390 32.574 32.047 0.527 1
1 285 . 13 1 1 A 29 29 VAL H H 391 8.337 7.764 0.573 1
1 286 . 13 1 1 A 29 29 VAL HA H 391 3.818 4.221 -0.403 1
1 294 . 13 1 1 A 29 29 VAL CA C 391 65.608 65.571 0.037 1
1 295 . 13 1 1 A 29 29 VAL CB C 391 31.546 31.612 -0.066 1
1 298 . 13 1 1 A 29 29 VAL N N 391 117.431 115.969 1.462 1
1 299 . 13 1 1 A 30 30 HIS H H 392 8.037 8.271 -0.234 1
1 300 . 13 1 1 A 30 30 HIS HA H 392 4.565 4.241 0.324 1
1 305 . 13 1 1 A 30 30 HIS CA C 392 60.297 59.193 1.104 1
1 306 . 13 1 1 A 30 30 HIS CB C 392 27.700 29.500 -1.800 1
1 309 . 13 1 1 A 30 30 HIS N N 392 120.267 119.511 0.756 1
1 310 . 13 1 1 A 31 31 PHE H H 393 7.059 8.826 -1.767 1
1 311 . 13 1 1 A 31 31 PHE HA H 393 4.465 4.441 0.024 1
1 319 . 13 1 1 A 31 31 PHE CA C 393 59.951 61.528 -1.577 1
1 320 . 13 1 1 A 31 31 PHE CB C 393 38.577 38.173 0.404 1
1 326 . 13 1 1 A 31 31 PHE N N 393 114.802 117.383 -2.581 1
1 327 . 13 1 1 A 32 32 GLN H H 394 7.671 8.120 -0.449 1
1 328 . 13 1 1 A 32 32 GLN HA H 394 4.261 4.269 -0.008 1
1 335 . 13 1 1 A 32 32 GLN CA C 394 57.393 58.731 -1.338 1
1 336 . 13 1 1 A 32 32 GLN CB C 394 28.710 28.358 0.352 1
1 338 . 13 1 1 A 32 32 GLN N N 394 117.129 119.817 -2.688 1
1 340 . 13 1 1 A 33 33 HIS H H 395 7.581 7.482 0.099 1
1 341 . 13 1 1 A 33 33 HIS HA H 395 4.498 4.181 0.317 1
1 346 . 13 1 1 A 33 33 HIS CA C 395 56.467 57.882 -1.415 1
1 347 . 13 1 1 A 33 33 HIS CB C 395 31.398 30.953 0.445 1
1 350 . 13 1 1 A 33 33 HIS N N 395 115.481 114.987 0.494 1
1 351 . 13 1 1 A 34 34 PHE H H 396 8.044 7.641 0.403 1
1 352 . 13 1 1 A 34 34 PHE HA H 396 5.398 5.075 0.323 1
1 360 . 13 1 1 A 34 34 PHE CA C 396 56.318 56.151 0.167 1
1 361 . 13 1 1 A 34 34 PHE CB C 396 41.617 42.567 -0.950 1
1 367 . 13 1 1 A 34 34 PHE N N 396 117.547 115.692 1.855 1
1 368 . 13 1 1 A 35 35 SER H H 397 8.603 9.533 -0.930 1
1 369 . 13 1 1 A 35 35 SER HA H 397 4.769 4.908 -0.139 1
1 372 . 13 1 1 A 35 35 SER CA C 397 56.350 58.068 -1.718 1
1 373 . 13 1 1 A 35 35 SER CB C 397 65.912 64.364 1.548 1
1 374 . 13 1 1 A 35 35 SER N N 397 114.732 118.576 -3.844 1
1 375 . 13 1 1 A 36 36 HIS H H 398 9.538 8.844 0.694 1
1 376 . 13 1 1 A 36 36 HIS HA H 398 4.572 5.093 -0.521 1
1 381 . 13 1 1 A 36 36 HIS CA C 398 56.432 53.835 2.597 1
1 382 . 13 1 1 A 36 36 HIS CB C 398 29.935 33.029 -3.094 1
1 385 . 13 1 1 A 36 36 HIS N N 398 120.612 120.869 -0.257 1
1 386 . 13 1 1 A 37 37 PRO HA H 399 3.457 3.075 0.382 1
1 393 . 13 1 1 A 37 37 PRO CA C 399 64.278 63.033 1.245 1
1 394 . 13 1 1 A 37 37 PRO CB C 399 30.979 30.891 0.088 1
1 397 . 13 1 1 A 38 38 GLY H H 400 8.832 8.687 0.145 1
1 398 . 13 1 1 A 38 38 GLY HA2 H 400 3.593 3.780 -0.187 1
1 399 . 13 1 1 A 38 38 GLY HA3 H 400 4.522 3.786 0.736 1
1 400 . 13 1 1 A 38 38 GLY CA C 400 44.843 45.043 -0.200 1
1 401 . 13 1 1 A 38 38 GLY N N 400 115.162 112.480 2.682 1
1 402 . 13 1 1 A 39 39 ASP H H 401 8.505 7.592 0.913 1
1 403 . 13 1 1 A 39 39 ASP HA H 401 4.938 4.943 -0.005 1
1 406 . 13 1 1 A 39 39 ASP CA C 401 54.320 52.769 1.551 1
1 407 . 13 1 1 A 39 39 ASP CB C 401 41.893 42.514 -0.621 1
1 408 . 13 1 1 A 39 39 ASP N N 401 121.905 120.982 0.923 1
1 409 . 13 1 1 A 40 40 SER H H 402 9.378 9.138 0.240 1
1 410 . 13 1 1 A 40 40 SER HA H 402 4.281 4.183 0.098 1
1 413 . 13 1 1 A 40 40 SER CA C 402 61.078 61.109 -0.031 1
1 414 . 13 1 1 A 40 40 SER CB C 402 62.829 63.001 -0.172 1
1 415 . 13 1 1 A 40 40 SER N N 402 119.493 121.378 -1.885 1
1 416 . 13 1 1 A 41 41 ASP H H 403 8.924 7.942 0.982 1
1 417 . 13 1 1 A 41 41 ASP HA H 403 4.697 4.722 -0.025 1
1 420 . 13 1 1 A 41 41 ASP CA C 403 52.287 54.312 -2.025 1
1 421 . 13 1 1 A 41 41 ASP CB C 403 39.077 41.592 -2.515 1
1 422 . 13 1 1 A 41 41 ASP N N 403 116.599 118.218 -1.619 1
1 423 . 13 1 1 A 42 42 TYR H H 404 7.427 7.736 -0.309 1
1 424 . 13 1 1 A 42 42 TYR HA H 404 4.452 4.335 0.117 1
1 431 . 13 1 1 A 42 42 TYR CA C 404 59.218 59.654 -0.436 1
1 432 . 13 1 1 A 42 42 TYR CB C 404 39.543 39.082 0.461 1
1 437 . 13 1 1 A 42 42 TYR N N 404 122.560 123.005 -0.445 1
1 438 . 13 1 1 A 43 43 GLY H H 405 7.715 8.402 -0.687 1
1 439 . 13 1 1 A 43 43 GLY HA2 H 405 3.743 3.673 0.070 1
1 440 . 13 1 1 A 43 43 GLY HA3 H 405 3.704 3.731 -0.027 1
1 441 . 13 1 1 A 43 43 GLY CA C 405 45.100 45.167 -0.067 1
1 442 . 13 1 1 A 43 43 GLY N N 405 114.997 113.273 1.724 1
1 443 . 13 1 1 A 44 44 GLY H H 406 7.088 6.399 0.689 1
1 444 . 13 1 1 A 44 44 GLY HA2 H 406 3.887 3.751 0.136 1
1 445 . 13 1 1 A 44 44 GLY HA3 H 406 3.887 3.857 0.030 1
1 446 . 13 1 1 A 44 44 GLY CA C 406 45.011 44.364 0.647 1
1 447 . 13 1 1 A 44 44 GLY N N 406 107.744 106.003 1.741 1
1 448 . 13 1 1 A 45 45 VAL H H 407 8.064 8.140 -0.076 1
1 449 . 13 1 1 A 45 45 VAL HA H 407 4.147 4.656 -0.509 1
1 457 . 13 1 1 A 45 45 VAL CA C 407 62.222 61.809 0.413 1
1 458 . 13 1 1 A 45 45 VAL CB C 407 32.899 33.721 -0.822 1
1 461 . 13 1 1 A 45 45 VAL N N 407 119.029 122.215 -3.186 1
1 462 . 13 1 1 A 46 46 GLN H H 408 8.506 8.972 -0.466 1
1 463 . 13 1 1 A 46 46 GLN HA H 408 4.433 4.781 -0.348 1
1 470 . 13 1 1 A 46 46 GLN CA C 408 55.631 54.446 1.185 1
1 471 . 13 1 1 A 46 46 GLN CB C 408 29.682 29.364 0.318 1
1 473 . 13 1 1 A 46 46 GLN N N 408 124.737 126.086 -1.349 1
1 475 . 13 1 1 A 47 47 ILE H H 409 8.330 8.862 -0.532 1
1 476 . 13 1 1 A 47 47 ILE HA H 409 4.237 4.515 -0.278 1
1 486 . 13 1 1 A 47 47 ILE CA C 409 60.885 60.658 0.227 1
1 487 . 13 1 1 A 47 47 ILE CB C 409 38.690 37.316 1.374 1
1 491 . 13 1 1 A 47 47 ILE N N 409 123.582 126.481 -2.899 1
1 492 . 13 1 1 A 48 48 VAL H H 410 8.298 8.636 -0.338 1
1 493 . 13 1 1 A 48 48 VAL HA H 410 4.183 4.405 -0.222 1
1 501 . 13 1 1 A 48 48 VAL CA C 410 62.351 60.907 1.444 1
1 502 . 13 1 1 A 48 48 VAL CB C 410 32.841 32.146 0.695 1
1 505 . 13 1 1 A 48 48 VAL N N 410 125.073 128.209 -3.136 1
1 506 . 13 1 1 A 49 49 GLY H H 411 8.609 8.459 0.150 1
1 507 . 13 1 1 A 49 49 GLY HA2 H 411 4.032 3.961 0.071 1
1 508 . 13 1 1 A 49 49 GLY HA3 H 411 4.008 3.963 0.045 1
1 509 . 13 1 1 A 49 49 GLY CA C 411 45.281 46.422 -1.141 1
1 510 . 13 1 1 A 49 49 GLY N N 411 113.133 115.472 -2.339 1
1 511 . 13 1 1 A 50 50 GLN H H 412 8.317 8.232 0.085 1
1 512 . 13 1 1 A 50 50 GLN HA H 412 4.403 4.052 0.351 1
1 519 . 13 1 1 A 50 50 GLN CA C 412 55.872 58.964 -3.092 1
1 520 . 13 1 1 A 50 50 GLN CB C 412 29.678 28.650 1.028 1
1 522 . 13 1 1 A 50 50 GLN N N 412 119.972 118.605 1.367 1
1 524 . 13 1 1 A 51 51 ASP H H 413 8.533 8.029 0.504 1
1 525 . 13 1 1 A 51 51 ASP HA H 413 4.646 4.938 -0.292 1
1 528 . 13 1 1 A 51 51 ASP CA C 413 54.459 52.720 1.739 1
1 529 . 13 1 1 A 51 51 ASP CB C 413 41.215 41.466 -0.251 1
1 530 . 13 1 1 A 51 51 ASP N N 413 121.378 116.800 4.578 1
1 531 . 13 1 1 A 52 52 GLU H H 414 8.457 8.047 0.410 1
1 532 . 13 1 1 A 52 52 GLU HA H 414 4.392 4.018 0.374 1
1 537 . 13 1 1 A 52 52 GLU CA C 414 56.700 57.265 -0.565 1
1 538 . 13 1 1 A 52 52 GLU CB C 414 30.238 28.229 2.009 1
1 540 . 13 1 1 A 52 52 GLU N N 414 121.491 119.494 1.997 1
1 541 . 13 1 1 A 53 53 THR H H 415 8.263 8.044 0.219 1
1 542 . 13 1 1 A 53 53 THR HA H 415 4.306 4.608 -0.302 1
1 547 . 13 1 1 A 53 53 THR CA C 415 62.113 60.174 1.939 1
1 548 . 13 1 1 A 53 53 THR CB C 415 69.912 68.717 1.195 1
1 550 . 13 1 1 A 53 53 THR N N 415 114.960 109.737 5.223 1
1 551 . 13 1 1 A 54 54 ASP H H 416 8.279 8.572 -0.293 1
1 552 . 13 1 1 A 54 54 ASP HA H 416 4.661 5.011 -0.350 1
1 555 . 13 1 1 A 54 54 ASP CA C 416 53.775 53.443 0.332 1
1 556 . 13 1 1 A 54 54 ASP CB C 416 41.188 41.242 -0.054 1
1 557 . 13 1 1 A 54 54 ASP N N 416 123.335 123.594 -0.259 1
1 1 . 14 1 1 A 2 2 PRO HA H 364 4.519 4.734 -0.215 1
1 8 . 14 1 1 A 2 2 PRO CA C 364 63.238 62.422 0.816 1
1 9 . 14 1 1 A 2 2 PRO CB C 364 32.338 29.386 2.952 1
1 12 . 14 1 1 A 3 3 LEU H H 365 8.557 8.471 0.086 1
1 13 . 14 1 1 A 3 3 LEU HA H 365 4.406 5.088 -0.682 1
1 23 . 14 1 1 A 3 3 LEU CA C 365 55.436 53.605 1.831 1
1 24 . 14 1 1 A 3 3 LEU CB C 365 42.304 46.123 -3.819 1
1 28 . 14 1 1 A 3 3 LEU N N 365 122.297 124.853 -2.556 1
1 29 . 14 1 1 A 4 4 GLY H H 366 8.443 8.365 0.078 1
1 30 . 14 1 1 A 4 4 GLY HA2 H 366 4.040 4.080 -0.040 1
1 31 . 14 1 1 A 4 4 GLY HA3 H 366 4.056 4.082 -0.026 1
1 32 . 14 1 1 A 4 4 GLY CA C 366 45.361 44.425 0.936 1
1 33 . 14 1 1 A 4 4 GLY N N 366 110.040 112.720 -2.680 1
1 34 . 14 1 1 A 5 5 SER H H 367 8.374 8.427 -0.053 1
1 35 . 14 1 1 A 5 5 SER HA H 367 4.521 5.224 -0.703 1
1 38 . 14 1 1 A 5 5 SER CA C 367 58.573 57.275 1.298 1
1 39 . 14 1 1 A 5 5 SER CB C 367 64.058 64.771 -0.713 1
1 40 . 14 1 1 A 5 5 SER N N 367 116.007 116.775 -0.768 1
1 41 . 14 1 1 A 6 6 GLY H H 368 8.639 9.196 -0.557 1
1 42 . 14 1 1 A 6 6 GLY HA2 H 368 4.095 4.155 -0.060 1
1 43 . 14 1 1 A 6 6 GLY HA3 H 368 4.067 4.160 -0.093 1
1 44 . 14 1 1 A 6 6 GLY CA C 368 45.494 44.932 0.562 1
1 45 . 14 1 1 A 6 6 GLY N N 368 111.362 112.779 -1.417 1
1 46 . 14 1 1 A 7 7 SER H H 369 8.313 9.116 -0.803 1
1 47 . 14 1 1 A 7 7 SER HA H 369 4.516 5.337 -0.821 1
1 50 . 14 1 1 A 7 7 SER CA C 369 58.583 57.679 0.904 1
1 51 . 14 1 1 A 7 7 SER CB C 369 63.973 65.951 -1.978 1
1 52 . 14 1 1 A 7 7 SER N N 369 115.885 121.180 -5.295 1
1 53 . 14 1 1 A 8 8 GLU H H 370 8.630 8.877 -0.247 1
1 54 . 14 1 1 A 8 8 GLU HA H 370 4.330 4.670 -0.340 1
1 59 . 14 1 1 A 8 8 GLU CA C 370 57.138 55.464 1.674 1
1 60 . 14 1 1 A 8 8 GLU CB C 370 29.984 31.532 -1.548 1
1 62 . 14 1 1 A 8 8 GLU N N 370 122.682 124.418 -1.736 1
1 63 . 14 1 1 A 9 9 GLY H H 371 8.394 8.561 -0.167 1
1 64 . 14 1 1 A 9 9 GLY HA2 H 371 3.976 4.049 -0.073 1
1 65 . 14 1 1 A 9 9 GLY HA3 H 371 3.976 4.070 -0.094 1
1 66 . 14 1 1 A 9 9 GLY CA C 371 45.469 46.409 -0.940 1
1 67 . 14 1 1 A 9 9 GLY N N 371 109.245 109.978 -0.733 1
1 68 . 14 1 1 A 10 10 ASN H H 372 8.283 8.214 0.069 1
1 69 . 14 1 1 A 10 10 ASN HA H 372 4.732 4.998 -0.266 1
1 74 . 14 1 1 A 10 10 ASN CA C 372 53.263 54.163 -0.900 1
1 75 . 14 1 1 A 10 10 ASN CB C 372 38.961 41.466 -2.505 1
1 76 . 14 1 1 A 10 10 ASN N N 372 118.662 116.002 2.660 1
1 78 . 14 1 1 A 11 11 LYS H H 373 8.264 8.271 -0.007 1
1 79 . 14 1 1 A 11 11 LYS HA H 373 4.360 4.450 -0.090 1
1 88 . 14 1 1 A 11 11 LYS CA C 373 56.413 55.298 1.115 1
1 89 . 14 1 1 A 11 11 LYS CB C 373 33.054 32.381 0.673 1
1 93 . 14 1 1 A 11 11 LYS N N 373 121.729 117.768 3.961 1
1 94 . 14 1 1 A 12 12 VAL H H 374 8.114 7.623 0.491 1
1 95 . 14 1 1 A 12 12 VAL HA H 374 4.086 4.649 -0.563 1
1 103 . 14 1 1 A 12 12 VAL CA C 374 62.169 60.322 1.847 1
1 104 . 14 1 1 A 12 12 VAL CB C 374 32.862 36.147 -3.285 1
1 107 . 14 1 1 A 12 12 VAL N N 374 121.704 119.601 2.103 1
1 108 . 14 1 1 A 13 13 LYS H H 375 8.415 8.238 0.177 1
1 109 . 14 1 1 A 13 13 LYS HA H 375 4.383 4.453 -0.070 1
1 118 . 14 1 1 A 13 13 LYS CA C 375 55.989 55.555 0.434 1
1 119 . 14 1 1 A 13 13 LYS CB C 375 33.159 31.313 1.846 1
1 123 . 14 1 1 A 13 13 LYS N N 375 126.419 125.474 0.945 1
1 124 . 14 1 1 A 14 14 ARG H H 376 8.753 8.041 0.712 1
1 125 . 14 1 1 A 14 14 ARG HA H 376 4.363 4.224 0.139 1
1 132 . 14 1 1 A 14 14 ARG CA C 376 56.293 57.229 -0.936 1
1 133 . 14 1 1 A 14 14 ARG CB C 376 32.331 30.829 1.502 1
1 136 . 14 1 1 A 14 14 ARG N N 376 123.397 124.343 -0.946 1
1 137 . 14 1 1 A 15 15 THR H H 377 8.081 8.442 -0.361 1
1 138 . 14 1 1 A 15 15 THR HA H 377 4.398 4.179 0.219 1
1 143 . 14 1 1 A 15 15 THR CA C 377 61.533 63.474 -1.941 1
1 144 . 14 1 1 A 15 15 THR CB C 377 70.409 68.946 1.463 1
1 146 . 14 1 1 A 15 15 THR N N 377 117.600 116.416 1.184 1
1 147 . 14 1 1 A 16 16 SER H H 378 8.614 8.375 0.239 1
1 148 . 14 1 1 A 16 16 SER HA H 378 4.853 4.481 0.372 1
1 151 . 14 1 1 A 16 16 SER CA C 378 59.098 58.198 0.900 1
1 152 . 14 1 1 A 16 16 SER CB C 378 63.763 64.327 -0.564 1
1 153 . 14 1 1 A 16 16 SER N N 378 121.120 120.075 1.045 1
1 154 . 14 1 1 A 17 17 CYS H H 379 9.252 8.467 0.785 1
1 155 . 14 1 1 A 17 17 CYS HA H 379 3.994 4.683 -0.689 1
1 158 . 14 1 1 A 17 17 CYS CA C 379 60.962 59.247 1.715 1
1 159 . 14 1 1 A 17 17 CYS CB C 379 29.581 28.397 1.184 1
1 160 . 14 1 1 A 17 17 CYS N N 379 127.790 122.516 5.274 1
1 161 . 14 1 1 A 18 18 MET H H 380 8.831 8.996 -0.165 1
1 162 . 14 1 1 A 18 18 MET HA H 380 4.212 4.156 0.056 1
1 170 . 14 1 1 A 18 18 MET CA C 380 58.209 57.968 0.241 1
1 171 . 14 1 1 A 18 18 MET CB C 380 31.936 32.150 -0.214 1
1 174 . 14 1 1 A 18 18 MET N N 380 130.017 124.727 5.290 1
1 175 . 14 1 1 A 19 19 TYR H H 381 8.701 7.843 0.858 1
1 176 . 14 1 1 A 19 19 TYR HA H 381 4.579 4.538 0.041 1
1 183 . 14 1 1 A 19 19 TYR CA C 381 58.762 59.282 -0.520 1
1 184 . 14 1 1 A 19 19 TYR CB C 381 37.595 38.840 -1.245 1
1 189 . 14 1 1 A 19 19 TYR N N 381 120.369 118.377 1.992 1
1 190 . 14 1 1 A 20 20 GLY H H 382 7.760 8.320 -0.560 1
1 191 . 14 1 1 A 20 20 GLY HA2 H 382 3.710 4.053 -0.343 1
1 192 . 14 1 1 A 20 20 GLY HA3 H 382 4.085 4.135 -0.050 1
1 193 . 14 1 1 A 20 20 GLY CA C 382 47.627 47.494 0.133 1
1 194 . 14 1 1 A 20 20 GLY N N 382 107.481 108.531 -1.050 1
1 195 . 14 1 1 A 21 21 ALA H H 383 9.248 8.282 0.966 1
1 196 . 14 1 1 A 21 21 ALA HA H 383 4.354 4.411 -0.057 1
1 200 . 14 1 1 A 21 21 ALA CA C 383 53.398 52.192 1.206 1
1 201 . 14 1 1 A 21 21 ALA CB C 383 18.808 19.748 -0.940 1
1 202 . 14 1 1 A 21 21 ALA N N 383 128.449 129.274 -0.825 1
1 203 . 14 1 1 A 22 22 ASN H H 384 8.261 8.233 0.028 1
1 204 . 14 1 1 A 22 22 ASN HA H 384 4.944 4.996 -0.052 1
1 209 . 14 1 1 A 22 22 ASN CA C 384 52.140 53.030 -0.890 1
1 210 . 14 1 1 A 22 22 ASN CB C 384 38.940 39.819 -0.879 1
1 211 . 14 1 1 A 22 22 ASN N N 384 115.516 115.387 0.129 1
1 213 . 14 1 1 A 23 23 CYS H H 385 7.174 7.672 -0.498 1
1 214 . 14 1 1 A 23 23 CYS HA H 385 3.736 3.872 -0.136 1
1 217 . 14 1 1 A 23 23 CYS CA C 385 61.867 59.949 1.918 1
1 218 . 14 1 1 A 23 23 CYS CB C 385 29.434 28.178 1.256 1
1 219 . 14 1 1 A 23 23 CYS N N 385 121.580 120.376 1.204 1
1 220 . 14 1 1 A 24 24 TYR H H 386 7.680 7.926 -0.246 1
1 221 . 14 1 1 A 24 24 TYR HA H 386 4.858 4.560 0.298 1
1 228 . 14 1 1 A 24 24 TYR CA C 386 56.348 57.776 -1.428 1
1 229 . 14 1 1 A 24 24 TYR CB C 386 38.216 39.586 -1.370 1
1 234 . 14 1 1 A 24 24 TYR N N 386 126.676 123.357 3.319 1
1 235 . 14 1 1 A 25 25 ARG H H 387 7.988 6.082 1.906 1
1 236 . 14 1 1 A 25 25 ARG HA H 387 4.054 4.108 -0.054 1
1 243 . 14 1 1 A 25 25 ARG CA C 387 56.282 55.807 0.475 1
1 244 . 14 1 1 A 25 25 ARG CB C 387 29.894 30.032 -0.138 1
1 247 . 14 1 1 A 25 25 ARG N N 387 123.491 119.427 4.064 1
1 248 . 14 1 1 A 26 26 LYS H H 388 8.951 8.728 0.223 1
1 249 . 14 1 1 A 26 26 LYS HA H 388 4.635 4.629 0.006 1
1 258 . 14 1 1 A 26 26 LYS CA C 388 55.605 55.275 0.330 1
1 259 . 14 1 1 A 26 26 LYS CB C 388 34.387 32.369 2.018 1
1 263 . 14 1 1 A 26 26 LYS N N 388 118.569 118.533 0.036 1
1 264 . 14 1 1 A 27 27 ASN H H 389 8.400 7.809 0.591 1
1 265 . 14 1 1 A 27 27 ASN HA H 389 4.950 5.152 -0.202 1
1 270 . 14 1 1 A 27 27 ASN CA C 389 51.827 49.581 2.246 1
1 271 . 14 1 1 A 27 27 ASN CB C 389 39.171 40.035 -0.864 1
1 272 . 14 1 1 A 27 27 ASN N N 389 122.702 119.838 2.864 1
1 274 . 14 1 1 A 28 28 PRO HA H 390 4.595 4.706 -0.111 1
1 281 . 14 1 1 A 28 28 PRO CA C 390 65.632 66.424 -0.792 1
1 282 . 14 1 1 A 28 28 PRO CB C 390 32.574 31.563 1.011 1
1 285 . 14 1 1 A 29 29 VAL H H 391 8.337 7.909 0.428 1
1 286 . 14 1 1 A 29 29 VAL HA H 391 3.818 3.737 0.081 1
1 294 . 14 1 1 A 29 29 VAL CA C 391 65.608 64.825 0.783 1
1 295 . 14 1 1 A 29 29 VAL CB C 391 31.546 31.360 0.186 1
1 298 . 14 1 1 A 29 29 VAL N N 391 117.431 117.104 0.327 1
1 299 . 14 1 1 A 30 30 HIS H H 392 8.037 8.097 -0.060 1
1 300 . 14 1 1 A 30 30 HIS HA H 392 4.565 4.356 0.209 1
1 305 . 14 1 1 A 30 30 HIS CA C 392 60.297 59.056 1.241 1
1 306 . 14 1 1 A 30 30 HIS CB C 392 27.700 29.801 -2.101 1
1 309 . 14 1 1 A 30 30 HIS N N 392 120.267 120.742 -0.475 1
1 310 . 14 1 1 A 31 31 PHE H H 393 7.059 8.412 -1.353 1
1 311 . 14 1 1 A 31 31 PHE HA H 393 4.465 4.353 0.112 1
1 319 . 14 1 1 A 31 31 PHE CA C 393 59.951 61.902 -1.951 1
1 320 . 14 1 1 A 31 31 PHE CB C 393 38.577 38.590 -0.013 1
1 326 . 14 1 1 A 31 31 PHE N N 393 114.802 118.525 -3.723 1
1 327 . 14 1 1 A 32 32 GLN H H 394 7.671 7.762 -0.091 1
1 328 . 14 1 1 A 32 32 GLN HA H 394 4.261 4.324 -0.063 1
1 335 . 14 1 1 A 32 32 GLN CA C 394 57.393 58.633 -1.240 1
1 336 . 14 1 1 A 32 32 GLN CB C 394 28.710 28.544 0.166 1
1 338 . 14 1 1 A 32 32 GLN N N 394 117.129 118.549 -1.420 1
1 340 . 14 1 1 A 33 33 HIS H H 395 7.581 7.650 -0.069 1
1 341 . 14 1 1 A 33 33 HIS HA H 395 4.498 4.282 0.216 1
1 346 . 14 1 1 A 33 33 HIS CA C 395 56.467 57.844 -1.377 1
1 347 . 14 1 1 A 33 33 HIS CB C 395 31.398 31.169 0.229 1
1 350 . 14 1 1 A 33 33 HIS N N 395 115.481 114.753 0.728 1
1 351 . 14 1 1 A 34 34 PHE H H 396 8.044 8.238 -0.194 1
1 352 . 14 1 1 A 34 34 PHE HA H 396 5.398 5.280 0.118 1
1 360 . 14 1 1 A 34 34 PHE CA C 396 56.318 56.048 0.270 1
1 361 . 14 1 1 A 34 34 PHE CB C 396 41.617 41.391 0.226 1
1 367 . 14 1 1 A 34 34 PHE N N 396 117.547 116.237 1.310 1
1 368 . 14 1 1 A 35 35 SER H H 397 8.603 9.499 -0.896 1
1 369 . 14 1 1 A 35 35 SER HA H 397 4.769 5.150 -0.381 1
1 372 . 14 1 1 A 35 35 SER CA C 397 56.350 56.907 -0.557 1
1 373 . 14 1 1 A 35 35 SER CB C 397 65.912 65.010 0.902 1
1 374 . 14 1 1 A 35 35 SER N N 397 114.732 118.001 -3.269 1
1 375 . 14 1 1 A 36 36 HIS H H 398 9.538 8.850 0.688 1
1 376 . 14 1 1 A 36 36 HIS HA H 398 4.572 5.120 -0.548 1
1 381 . 14 1 1 A 36 36 HIS CA C 398 56.432 53.887 2.545 1
1 382 . 14 1 1 A 36 36 HIS CB C 398 29.935 33.052 -3.117 1
1 385 . 14 1 1 A 36 36 HIS N N 398 120.612 120.137 0.475 1
1 386 . 14 1 1 A 37 37 PRO HA H 399 3.457 3.264 0.193 1
1 393 . 14 1 1 A 37 37 PRO CA C 399 64.278 63.128 1.150 1
1 394 . 14 1 1 A 37 37 PRO CB C 399 30.979 31.021 -0.042 1
1 397 . 14 1 1 A 38 38 GLY H H 400 8.832 8.707 0.125 1
1 398 . 14 1 1 A 38 38 GLY HA2 H 400 3.593 3.829 -0.236 1
1 399 . 14 1 1 A 38 38 GLY HA3 H 400 4.522 3.842 0.680 1
1 400 . 14 1 1 A 38 38 GLY CA C 400 44.843 45.165 -0.322 1
1 401 . 14 1 1 A 38 38 GLY N N 400 115.162 111.899 3.263 1
1 402 . 14 1 1 A 39 39 ASP H H 401 8.505 7.659 0.846 1
1 403 . 14 1 1 A 39 39 ASP HA H 401 4.938 4.890 0.048 1
1 406 . 14 1 1 A 39 39 ASP CA C 401 54.320 52.767 1.553 1
1 407 . 14 1 1 A 39 39 ASP CB C 401 41.893 42.472 -0.579 1
1 408 . 14 1 1 A 39 39 ASP N N 401 121.905 120.970 0.935 1
1 409 . 14 1 1 A 40 40 SER H H 402 9.378 9.021 0.357 1
1 410 . 14 1 1 A 40 40 SER HA H 402 4.281 4.170 0.111 1
1 413 . 14 1 1 A 40 40 SER CA C 402 61.078 61.121 -0.043 1
1 414 . 14 1 1 A 40 40 SER CB C 402 62.829 62.715 0.114 1
1 415 . 14 1 1 A 40 40 SER N N 402 119.493 120.090 -0.597 1
1 416 . 14 1 1 A 41 41 ASP H H 403 8.924 8.007 0.917 1
1 417 . 14 1 1 A 41 41 ASP HA H 403 4.697 4.868 -0.171 1
1 420 . 14 1 1 A 41 41 ASP CA C 403 52.287 53.781 -1.494 1
1 421 . 14 1 1 A 41 41 ASP CB C 403 39.077 41.602 -2.525 1
1 422 . 14 1 1 A 41 41 ASP N N 403 116.599 118.808 -2.209 1
1 423 . 14 1 1 A 42 42 TYR H H 404 7.427 7.697 -0.270 1
1 424 . 14 1 1 A 42 42 TYR HA H 404 4.452 4.316 0.136 1
1 431 . 14 1 1 A 42 42 TYR CA C 404 59.218 59.497 -0.279 1
1 432 . 14 1 1 A 42 42 TYR CB C 404 39.543 39.077 0.466 1
1 437 . 14 1 1 A 42 42 TYR N N 404 122.560 123.409 -0.849 1
1 438 . 14 1 1 A 43 43 GLY H H 405 7.715 8.563 -0.848 1
1 439 . 14 1 1 A 43 43 GLY HA2 H 405 3.743 3.684 0.059 1
1 440 . 14 1 1 A 43 43 GLY HA3 H 405 3.704 3.747 -0.043 1
1 441 . 14 1 1 A 43 43 GLY CA C 405 45.100 46.283 -1.183 1
1 442 . 14 1 1 A 43 43 GLY N N 405 114.997 113.208 1.789 1
1 443 . 14 1 1 A 44 44 GLY H H 406 7.088 6.411 0.677 1
1 444 . 14 1 1 A 44 44 GLY HA2 H 406 3.887 3.748 0.139 1
1 445 . 14 1 1 A 44 44 GLY HA3 H 406 3.887 3.915 -0.028 1
1 446 . 14 1 1 A 44 44 GLY CA C 406 45.011 44.151 0.860 1
1 447 . 14 1 1 A 44 44 GLY N N 406 107.744 105.469 2.275 1
1 448 . 14 1 1 A 45 45 VAL H H 407 8.064 8.174 -0.110 1
1 449 . 14 1 1 A 45 45 VAL HA H 407 4.147 4.717 -0.570 1
1 457 . 14 1 1 A 45 45 VAL CA C 407 62.222 61.542 0.680 1
1 458 . 14 1 1 A 45 45 VAL CB C 407 32.899 33.319 -0.420 1
1 461 . 14 1 1 A 45 45 VAL N N 407 119.029 121.909 -2.880 1
1 462 . 14 1 1 A 46 46 GLN H H 408 8.506 8.981 -0.475 1
1 463 . 14 1 1 A 46 46 GLN HA H 408 4.433 4.748 -0.315 1
1 470 . 14 1 1 A 46 46 GLN CA C 408 55.631 54.512 1.119 1
1 471 . 14 1 1 A 46 46 GLN CB C 408 29.682 28.948 0.734 1
1 473 . 14 1 1 A 46 46 GLN N N 408 124.737 126.218 -1.481 1
1 475 . 14 1 1 A 47 47 ILE H H 409 8.330 8.887 -0.557 1
1 476 . 14 1 1 A 47 47 ILE HA H 409 4.237 4.614 -0.377 1
1 486 . 14 1 1 A 47 47 ILE CA C 409 60.885 60.617 0.268 1
1 487 . 14 1 1 A 47 47 ILE CB C 409 38.690 37.321 1.369 1
1 491 . 14 1 1 A 47 47 ILE N N 409 123.582 126.458 -2.876 1
1 492 . 14 1 1 A 48 48 VAL H H 410 8.298 8.692 -0.394 1
1 493 . 14 1 1 A 48 48 VAL HA H 410 4.183 4.332 -0.149 1
1 501 . 14 1 1 A 48 48 VAL CA C 410 62.351 61.122 1.229 1
1 502 . 14 1 1 A 48 48 VAL CB C 410 32.841 31.332 1.509 1
1 505 . 14 1 1 A 48 48 VAL N N 410 125.073 127.687 -2.614 1
1 506 . 14 1 1 A 49 49 GLY H H 411 8.609 7.934 0.675 1
1 507 . 14 1 1 A 49 49 GLY HA2 H 411 4.032 3.987 0.045 1
1 508 . 14 1 1 A 49 49 GLY HA3 H 411 4.008 3.990 0.018 1
1 509 . 14 1 1 A 49 49 GLY CA C 411 45.281 45.330 -0.049 1
1 510 . 14 1 1 A 49 49 GLY N N 411 113.133 112.438 0.695 1
1 511 . 14 1 1 A 50 50 GLN H H 412 8.317 8.391 -0.074 1
1 512 . 14 1 1 A 50 50 GLN HA H 412 4.403 3.882 0.521 1
1 519 . 14 1 1 A 50 50 GLN CA C 412 55.872 58.782 -2.910 1
1 520 . 14 1 1 A 50 50 GLN CB C 412 29.678 26.921 2.757 1
1 522 . 14 1 1 A 50 50 GLN N N 412 119.972 115.967 4.005 1
1 524 . 14 1 1 A 51 51 ASP H H 413 8.533 8.694 -0.161 1
1 525 . 14 1 1 A 51 51 ASP HA H 413 4.646 4.718 -0.072 1
1 528 . 14 1 1 A 51 51 ASP CA C 413 54.459 53.301 1.158 1
1 529 . 14 1 1 A 51 51 ASP CB C 413 41.215 41.344 -0.129 1
1 530 . 14 1 1 A 51 51 ASP N N 413 121.378 117.944 3.434 1
1 531 . 14 1 1 A 52 52 GLU H H 414 8.457 7.870 0.587 1
1 532 . 14 1 1 A 52 52 GLU HA H 414 4.392 4.605 -0.213 1
1 537 . 14 1 1 A 52 52 GLU CA C 414 56.700 55.695 1.005 1
1 538 . 14 1 1 A 52 52 GLU CB C 414 30.238 29.899 0.339 1
1 540 . 14 1 1 A 52 52 GLU N N 414 121.491 121.414 0.077 1
1 541 . 14 1 1 A 53 53 THR H H 415 8.263 7.884 0.379 1
1 542 . 14 1 1 A 53 53 THR HA H 415 4.306 4.590 -0.284 1
1 547 . 14 1 1 A 53 53 THR CA C 415 62.113 60.059 2.054 1
1 548 . 14 1 1 A 53 53 THR CB C 415 69.912 68.557 1.355 1
1 550 . 14 1 1 A 53 53 THR N N 415 114.960 112.854 2.106 1
1 551 . 14 1 1 A 54 54 ASP H H 416 8.279 8.537 -0.258 1
1 552 . 14 1 1 A 54 54 ASP HA H 416 4.661 5.001 -0.340 1
1 555 . 14 1 1 A 54 54 ASP CA C 416 53.775 53.384 0.391 1
1 556 . 14 1 1 A 54 54 ASP CB C 416 41.188 41.304 -0.116 1
1 557 . 14 1 1 A 54 54 ASP N N 416 123.335 122.663 0.672 1
1 1 . 15 1 1 A 2 2 PRO HA H 364 4.519 4.722 -0.203 1
1 8 . 15 1 1 A 2 2 PRO CA C 364 63.238 62.775 0.463 1
1 9 . 15 1 1 A 2 2 PRO CB C 364 32.338 31.946 0.392 1
1 12 . 15 1 1 A 3 3 LEU H H 365 8.557 8.563 -0.006 1
1 13 . 15 1 1 A 3 3 LEU HA H 365 4.406 5.231 -0.825 1
1 23 . 15 1 1 A 3 3 LEU CA C 365 55.436 53.322 2.114 1
1 24 . 15 1 1 A 3 3 LEU CB C 365 42.304 46.173 -3.869 1
1 28 . 15 1 1 A 3 3 LEU N N 365 122.297 123.933 -1.636 1
1 29 . 15 1 1 A 4 4 GLY H H 366 8.443 8.380 0.063 1
1 30 . 15 1 1 A 4 4 GLY HA2 H 366 4.040 4.119 -0.079 1
1 31 . 15 1 1 A 4 4 GLY HA3 H 366 4.056 4.130 -0.074 1
1 32 . 15 1 1 A 4 4 GLY CA C 366 45.361 44.441 0.920 1
1 33 . 15 1 1 A 4 4 GLY N N 366 110.040 111.727 -1.687 1
1 34 . 15 1 1 A 5 5 SER H H 367 8.374 8.272 0.102 1
1 35 . 15 1 1 A 5 5 SER HA H 367 4.521 5.099 -0.578 1
1 38 . 15 1 1 A 5 5 SER CA C 367 58.573 56.493 2.080 1
1 39 . 15 1 1 A 5 5 SER CB C 367 64.058 65.453 -1.395 1
1 40 . 15 1 1 A 5 5 SER N N 367 116.007 113.188 2.819 1
1 41 . 15 1 1 A 6 6 GLY H H 368 8.639 8.473 0.166 1
1 42 . 15 1 1 A 6 6 GLY HA2 H 368 4.095 3.500 0.595 1
1 43 . 15 1 1 A 6 6 GLY HA3 H 368 4.067 3.588 0.479 1
1 44 . 15 1 1 A 6 6 GLY CA C 368 45.494 46.467 -0.973 1
1 45 . 15 1 1 A 6 6 GLY N N 368 111.362 113.514 -2.152 1
1 46 . 15 1 1 A 7 7 SER H H 369 8.313 7.656 0.657 1
1 47 . 15 1 1 A 7 7 SER HA H 369 4.516 4.950 -0.434 1
1 50 . 15 1 1 A 7 7 SER CA C 369 58.583 57.424 1.159 1
1 51 . 15 1 1 A 7 7 SER CB C 369 63.973 64.531 -0.558 1
1 52 . 15 1 1 A 7 7 SER N N 369 115.885 115.775 0.110 1
1 53 . 15 1 1 A 8 8 GLU H H 370 8.630 9.072 -0.442 1
1 54 . 15 1 1 A 8 8 GLU HA H 370 4.330 4.933 -0.603 1
1 59 . 15 1 1 A 8 8 GLU CA C 370 57.138 55.166 1.972 1
1 60 . 15 1 1 A 8 8 GLU CB C 370 29.984 31.173 -1.189 1
1 62 . 15 1 1 A 8 8 GLU N N 370 122.682 125.183 -2.501 1
1 63 . 15 1 1 A 9 9 GLY H H 371 8.394 8.802 -0.408 1
1 64 . 15 1 1 A 9 9 GLY HA2 H 371 3.976 4.240 -0.264 1
1 65 . 15 1 1 A 9 9 GLY HA3 H 371 3.976 4.240 -0.264 1
1 66 . 15 1 1 A 9 9 GLY CA C 371 45.469 45.810 -0.341 1
1 67 . 15 1 1 A 9 9 GLY N N 371 109.245 112.921 -3.676 1
1 68 . 15 1 1 A 10 10 ASN H H 372 8.283 7.921 0.362 1
1 69 . 15 1 1 A 10 10 ASN HA H 372 4.732 5.005 -0.273 1
1 74 . 15 1 1 A 10 10 ASN CA C 372 53.263 54.027 -0.764 1
1 75 . 15 1 1 A 10 10 ASN CB C 372 38.961 41.189 -2.228 1
1 76 . 15 1 1 A 10 10 ASN N N 372 118.662 116.615 2.047 1
1 78 . 15 1 1 A 11 11 LYS H H 373 8.264 7.869 0.395 1
1 79 . 15 1 1 A 11 11 LYS HA H 373 4.360 4.624 -0.264 1
1 88 . 15 1 1 A 11 11 LYS CA C 373 56.413 55.782 0.631 1
1 89 . 15 1 1 A 11 11 LYS CB C 373 33.054 32.498 0.556 1
1 93 . 15 1 1 A 11 11 LYS N N 373 121.729 116.896 4.833 1
1 94 . 15 1 1 A 12 12 VAL H H 374 8.114 8.510 -0.396 1
1 95 . 15 1 1 A 12 12 VAL HA H 374 4.086 4.780 -0.694 1
1 103 . 15 1 1 A 12 12 VAL CA C 374 62.169 60.163 2.006 1
1 104 . 15 1 1 A 12 12 VAL CB C 374 32.862 36.077 -3.215 1
1 107 . 15 1 1 A 12 12 VAL N N 374 121.704 124.195 -2.491 1
1 108 . 15 1 1 A 13 13 LYS H H 375 8.415 8.452 -0.037 1
1 109 . 15 1 1 A 13 13 LYS HA H 375 4.383 4.582 -0.199 1
1 118 . 15 1 1 A 13 13 LYS CA C 375 55.989 55.517 0.472 1
1 119 . 15 1 1 A 13 13 LYS CB C 375 33.159 32.328 0.831 1
1 123 . 15 1 1 A 13 13 LYS N N 375 126.419 124.740 1.679 1
1 124 . 15 1 1 A 14 14 ARG H H 376 8.753 7.893 0.860 1
1 125 . 15 1 1 A 14 14 ARG HA H 376 4.363 4.507 -0.144 1
1 132 . 15 1 1 A 14 14 ARG CA C 376 56.293 56.908 -0.615 1
1 133 . 15 1 1 A 14 14 ARG CB C 376 32.331 30.944 1.387 1
1 136 . 15 1 1 A 14 14 ARG N N 376 123.397 124.632 -1.235 1
1 137 . 15 1 1 A 15 15 THR H H 377 8.081 8.296 -0.215 1
1 138 . 15 1 1 A 15 15 THR HA H 377 4.398 4.445 -0.047 1
1 143 . 15 1 1 A 15 15 THR CA C 377 61.533 61.941 -0.408 1
1 144 . 15 1 1 A 15 15 THR CB C 377 70.409 69.617 0.792 1
1 146 . 15 1 1 A 15 15 THR N N 377 117.600 117.430 0.170 1
1 147 . 15 1 1 A 16 16 SER H H 378 8.614 8.447 0.167 1
1 148 . 15 1 1 A 16 16 SER HA H 378 4.853 4.443 0.410 1
1 151 . 15 1 1 A 16 16 SER CA C 378 59.098 58.280 0.818 1
1 152 . 15 1 1 A 16 16 SER CB C 378 63.763 64.405 -0.642 1
1 153 . 15 1 1 A 16 16 SER N N 378 121.120 121.496 -0.376 1
1 154 . 15 1 1 A 17 17 CYS H H 379 9.252 8.402 0.850 1
1 155 . 15 1 1 A 17 17 CYS HA H 379 3.994 4.736 -0.742 1
1 158 . 15 1 1 A 17 17 CYS CA C 379 60.962 59.183 1.779 1
1 159 . 15 1 1 A 17 17 CYS CB C 379 29.581 28.412 1.169 1
1 160 . 15 1 1 A 17 17 CYS N N 379 127.790 122.814 4.976 1
1 161 . 15 1 1 A 18 18 MET H H 380 8.831 9.037 -0.206 1
1 162 . 15 1 1 A 18 18 MET HA H 380 4.212 4.172 0.040 1
1 170 . 15 1 1 A 18 18 MET CA C 380 58.209 57.989 0.220 1
1 171 . 15 1 1 A 18 18 MET CB C 380 31.936 32.180 -0.244 1
1 174 . 15 1 1 A 18 18 MET N N 380 130.017 124.716 5.301 1
1 175 . 15 1 1 A 19 19 TYR H H 381 8.701 7.858 0.843 1
1 176 . 15 1 1 A 19 19 TYR HA H 381 4.579 4.553 0.026 1
1 183 . 15 1 1 A 19 19 TYR CA C 381 58.762 59.257 -0.495 1
1 184 . 15 1 1 A 19 19 TYR CB C 381 37.595 38.859 -1.264 1
1 189 . 15 1 1 A 19 19 TYR N N 381 120.369 118.390 1.979 1
1 190 . 15 1 1 A 20 20 GLY H H 382 7.760 8.295 -0.535 1
1 191 . 15 1 1 A 20 20 GLY HA2 H 382 3.710 4.048 -0.338 1
1 192 . 15 1 1 A 20 20 GLY HA3 H 382 4.085 4.126 -0.041 1
1 193 . 15 1 1 A 20 20 GLY CA C 382 47.627 47.498 0.129 1
1 194 . 15 1 1 A 20 20 GLY N N 382 107.481 108.477 -0.996 1
1 195 . 15 1 1 A 21 21 ALA H H 383 9.248 8.323 0.925 1
1 196 . 15 1 1 A 21 21 ALA HA H 383 4.354 4.415 -0.061 1
1 200 . 15 1 1 A 21 21 ALA CA C 383 53.398 52.227 1.171 1
1 201 . 15 1 1 A 21 21 ALA CB C 383 18.808 19.698 -0.890 1
1 202 . 15 1 1 A 21 21 ALA N N 383 128.449 129.287 -0.838 1
1 203 . 15 1 1 A 22 22 ASN H H 384 8.261 8.227 0.034 1
1 204 . 15 1 1 A 22 22 ASN HA H 384 4.944 5.069 -0.125 1
1 209 . 15 1 1 A 22 22 ASN CA C 384 52.140 52.961 -0.821 1
1 210 . 15 1 1 A 22 22 ASN CB C 384 38.940 39.824 -0.884 1
1 211 . 15 1 1 A 22 22 ASN N N 384 115.516 115.452 0.064 1
1 213 . 15 1 1 A 23 23 CYS H H 385 7.174 7.681 -0.507 1
1 214 . 15 1 1 A 23 23 CYS HA H 385 3.736 3.894 -0.158 1
1 217 . 15 1 1 A 23 23 CYS CA C 385 61.867 59.978 1.889 1
1 218 . 15 1 1 A 23 23 CYS CB C 385 29.434 28.201 1.233 1
1 219 . 15 1 1 A 23 23 CYS N N 385 121.580 120.415 1.165 1
1 220 . 15 1 1 A 24 24 TYR H H 386 7.680 7.933 -0.253 1
1 221 . 15 1 1 A 24 24 TYR HA H 386 4.858 4.573 0.285 1
1 228 . 15 1 1 A 24 24 TYR CA C 386 56.348 57.782 -1.434 1
1 229 . 15 1 1 A 24 24 TYR CB C 386 38.216 39.577 -1.361 1
1 234 . 15 1 1 A 24 24 TYR N N 386 126.676 123.378 3.298 1
1 235 . 15 1 1 A 25 25 ARG H H 387 7.988 6.087 1.901 1
1 236 . 15 1 1 A 25 25 ARG HA H 387 4.054 4.134 -0.080 1
1 243 . 15 1 1 A 25 25 ARG CA C 387 56.282 55.790 0.492 1
1 244 . 15 1 1 A 25 25 ARG CB C 387 29.894 29.948 -0.054 1
1 247 . 15 1 1 A 25 25 ARG N N 387 123.491 119.394 4.097 1
1 248 . 15 1 1 A 26 26 LYS H H 388 8.951 8.731 0.220 1
1 249 . 15 1 1 A 26 26 LYS HA H 388 4.635 4.610 0.025 1
1 258 . 15 1 1 A 26 26 LYS CA C 388 55.605 55.392 0.213 1
1 259 . 15 1 1 A 26 26 LYS CB C 388 34.387 32.270 2.117 1
1 263 . 15 1 1 A 26 26 LYS N N 388 118.569 119.113 -0.544 1
1 264 . 15 1 1 A 27 27 ASN H H 389 8.400 7.469 0.931 1
1 265 . 15 1 1 A 27 27 ASN HA H 389 4.950 5.092 -0.142 1
1 270 . 15 1 1 A 27 27 ASN CA C 389 51.827 50.041 1.786 1
1 271 . 15 1 1 A 27 27 ASN CB C 389 39.171 40.468 -1.297 1
1 272 . 15 1 1 A 27 27 ASN N N 389 122.702 119.784 2.918 1
1 274 . 15 1 1 A 28 28 PRO HA H 390 4.595 4.675 -0.080 1
1 281 . 15 1 1 A 28 28 PRO CA C 390 65.632 66.186 -0.554 1
1 282 . 15 1 1 A 28 28 PRO CB C 390 32.574 31.540 1.034 1
1 285 . 15 1 1 A 29 29 VAL H H 391 8.337 7.867 0.470 1
1 286 . 15 1 1 A 29 29 VAL HA H 391 3.818 3.914 -0.096 1
1 294 . 15 1 1 A 29 29 VAL CA C 391 65.608 64.808 0.800 1
1 295 . 15 1 1 A 29 29 VAL CB C 391 31.546 31.280 0.266 1
1 298 . 15 1 1 A 29 29 VAL N N 391 117.431 117.029 0.402 1
1 299 . 15 1 1 A 30 30 HIS H H 392 8.037 8.010 0.027 1
1 300 . 15 1 1 A 30 30 HIS HA H 392 4.565 4.267 0.298 1
1 305 . 15 1 1 A 30 30 HIS CA C 392 60.297 59.161 1.136 1
1 306 . 15 1 1 A 30 30 HIS CB C 392 27.700 29.289 -1.589 1
1 309 . 15 1 1 A 30 30 HIS N N 392 120.267 120.468 -0.201 1
1 310 . 15 1 1 A 31 31 PHE H H 393 7.059 8.336 -1.277 1
1 311 . 15 1 1 A 31 31 PHE HA H 393 4.465 4.355 0.110 1
1 319 . 15 1 1 A 31 31 PHE CA C 393 59.951 61.849 -1.898 1
1 320 . 15 1 1 A 31 31 PHE CB C 393 38.577 38.370 0.207 1
1 326 . 15 1 1 A 31 31 PHE N N 393 114.802 118.343 -3.541 1
1 327 . 15 1 1 A 32 32 GLN H H 394 7.671 7.710 -0.039 1
1 328 . 15 1 1 A 32 32 GLN HA H 394 4.261 4.333 -0.072 1
1 335 . 15 1 1 A 32 32 GLN CA C 394 57.393 58.630 -1.237 1
1 336 . 15 1 1 A 32 32 GLN CB C 394 28.710 28.672 0.038 1
1 338 . 15 1 1 A 32 32 GLN N N 394 117.129 119.096 -1.967 1
1 340 . 15 1 1 A 33 33 HIS H H 395 7.581 7.580 0.001 1
1 341 . 15 1 1 A 33 33 HIS HA H 395 4.498 4.336 0.162 1
1 346 . 15 1 1 A 33 33 HIS CA C 395 56.467 57.216 -0.749 1
1 347 . 15 1 1 A 33 33 HIS CB C 395 31.398 31.312 0.086 1
1 350 . 15 1 1 A 33 33 HIS N N 395 115.481 114.202 1.279 1
1 351 . 15 1 1 A 34 34 PHE H H 396 8.044 8.167 -0.123 1
1 352 . 15 1 1 A 34 34 PHE HA H 396 5.398 5.205 0.193 1
1 360 . 15 1 1 A 34 34 PHE CA C 396 56.318 56.089 0.229 1
1 361 . 15 1 1 A 34 34 PHE CB C 396 41.617 41.149 0.468 1
1 367 . 15 1 1 A 34 34 PHE N N 396 117.547 116.295 1.252 1
1 368 . 15 1 1 A 35 35 SER H H 397 8.603 9.556 -0.953 1
1 369 . 15 1 1 A 35 35 SER HA H 397 4.769 4.921 -0.152 1
1 372 . 15 1 1 A 35 35 SER CA C 397 56.350 56.975 -0.625 1
1 373 . 15 1 1 A 35 35 SER CB C 397 65.912 64.566 1.346 1
1 374 . 15 1 1 A 35 35 SER N N 397 114.732 118.163 -3.431 1
1 375 . 15 1 1 A 36 36 HIS H H 398 9.538 8.889 0.649 1
1 376 . 15 1 1 A 36 36 HIS HA H 398 4.572 5.147 -0.575 1
1 381 . 15 1 1 A 36 36 HIS CA C 398 56.432 53.958 2.474 1
1 382 . 15 1 1 A 36 36 HIS CB C 398 29.935 33.002 -3.067 1
1 385 . 15 1 1 A 36 36 HIS N N 398 120.612 120.825 -0.213 1
1 386 . 15 1 1 A 37 37 PRO HA H 399 3.457 2.964 0.493 1
1 393 . 15 1 1 A 37 37 PRO CA C 399 64.278 63.018 1.260 1
1 394 . 15 1 1 A 37 37 PRO CB C 399 30.979 30.968 0.011 1
1 397 . 15 1 1 A 38 38 GLY H H 400 8.832 8.679 0.153 1
1 398 . 15 1 1 A 38 38 GLY HA2 H 400 3.593 3.802 -0.209 1
1 399 . 15 1 1 A 38 38 GLY HA3 H 400 4.522 3.820 0.702 1
1 400 . 15 1 1 A 38 38 GLY CA C 400 44.843 45.126 -0.283 1
1 401 . 15 1 1 A 38 38 GLY N N 400 115.162 111.972 3.190 1
1 402 . 15 1 1 A 39 39 ASP H H 401 8.505 7.616 0.889 1
1 403 . 15 1 1 A 39 39 ASP HA H 401 4.938 4.891 0.047 1
1 406 . 15 1 1 A 39 39 ASP CA C 401 54.320 52.799 1.521 1
1 407 . 15 1 1 A 39 39 ASP CB C 401 41.893 42.663 -0.770 1
1 408 . 15 1 1 A 39 39 ASP N N 401 121.905 121.028 0.877 1
1 409 . 15 1 1 A 40 40 SER H H 402 9.378 9.041 0.337 1
1 410 . 15 1 1 A 40 40 SER HA H 402 4.281 4.168 0.113 1
1 413 . 15 1 1 A 40 40 SER CA C 402 61.078 61.164 -0.086 1
1 414 . 15 1 1 A 40 40 SER CB C 402 62.829 62.690 0.139 1
1 415 . 15 1 1 A 40 40 SER N N 402 119.493 120.177 -0.684 1
1 416 . 15 1 1 A 41 41 ASP H H 403 8.924 7.972 0.952 1
1 417 . 15 1 1 A 41 41 ASP HA H 403 4.697 4.821 -0.124 1
1 420 . 15 1 1 A 41 41 ASP CA C 403 52.287 53.831 -1.544 1
1 421 . 15 1 1 A 41 41 ASP CB C 403 39.077 41.633 -2.556 1
1 422 . 15 1 1 A 41 41 ASP N N 403 116.599 118.901 -2.302 1
1 423 . 15 1 1 A 42 42 TYR H H 404 7.427 7.731 -0.304 1
1 424 . 15 1 1 A 42 42 TYR HA H 404 4.452 4.613 -0.161 1
1 431 . 15 1 1 A 42 42 TYR CA C 404 59.218 59.644 -0.426 1
1 432 . 15 1 1 A 42 42 TYR CB C 404 39.543 39.178 0.365 1
1 437 . 15 1 1 A 42 42 TYR N N 404 122.560 123.000 -0.440 1
1 438 . 15 1 1 A 43 43 GLY H H 405 7.715 8.505 -0.790 1
1 439 . 15 1 1 A 43 43 GLY HA2 H 405 3.743 3.675 0.068 1
1 440 . 15 1 1 A 43 43 GLY HA3 H 405 3.704 3.717 -0.013 1
1 441 . 15 1 1 A 43 43 GLY CA C 405 45.100 45.329 -0.229 1
1 442 . 15 1 1 A 43 43 GLY N N 405 114.997 113.679 1.318 1
1 443 . 15 1 1 A 44 44 GLY H H 406 7.088 6.516 0.572 1
1 444 . 15 1 1 A 44 44 GLY HA2 H 406 3.887 3.537 0.350 1
1 445 . 15 1 1 A 44 44 GLY HA3 H 406 3.887 3.811 0.076 1
1 446 . 15 1 1 A 44 44 GLY CA C 406 45.011 44.281 0.730 1
1 447 . 15 1 1 A 44 44 GLY N N 406 107.744 105.632 2.112 1
1 448 . 15 1 1 A 45 45 VAL H H 407 8.064 8.157 -0.093 1
1 449 . 15 1 1 A 45 45 VAL HA H 407 4.147 4.654 -0.507 1
1 457 . 15 1 1 A 45 45 VAL CA C 407 62.222 61.904 0.318 1
1 458 . 15 1 1 A 45 45 VAL CB C 407 32.899 33.635 -0.736 1
1 461 . 15 1 1 A 45 45 VAL N N 407 119.029 122.706 -3.677 1
1 462 . 15 1 1 A 46 46 GLN H H 408 8.506 8.780 -0.274 1
1 463 . 15 1 1 A 46 46 GLN HA H 408 4.433 4.838 -0.405 1
1 470 . 15 1 1 A 46 46 GLN CA C 408 55.631 54.564 1.067 1
1 471 . 15 1 1 A 46 46 GLN CB C 408 29.682 29.780 -0.098 1
1 473 . 15 1 1 A 46 46 GLN N N 408 124.737 126.244 -1.507 1
1 475 . 15 1 1 A 47 47 ILE H H 409 8.330 8.837 -0.507 1
1 476 . 15 1 1 A 47 47 ILE HA H 409 4.237 4.483 -0.246 1
1 486 . 15 1 1 A 47 47 ILE CA C 409 60.885 60.601 0.284 1
1 487 . 15 1 1 A 47 47 ILE CB C 409 38.690 36.454 2.236 1
1 491 . 15 1 1 A 47 47 ILE N N 409 123.582 125.859 -2.277 1
1 492 . 15 1 1 A 48 48 VAL H H 410 8.298 8.672 -0.374 1
1 493 . 15 1 1 A 48 48 VAL HA H 410 4.183 4.478 -0.295 1
1 501 . 15 1 1 A 48 48 VAL CA C 410 62.351 60.921 1.430 1
1 502 . 15 1 1 A 48 48 VAL CB C 410 32.841 32.157 0.684 1
1 505 . 15 1 1 A 48 48 VAL N N 410 125.073 127.254 -2.181 1
1 506 . 15 1 1 A 49 49 GLY H H 411 8.609 8.334 0.275 1
1 507 . 15 1 1 A 49 49 GLY HA2 H 411 4.032 3.942 0.090 1
1 508 . 15 1 1 A 49 49 GLY HA3 H 411 4.008 3.943 0.065 1
1 509 . 15 1 1 A 49 49 GLY CA C 411 45.281 45.600 -0.319 1
1 510 . 15 1 1 A 49 49 GLY N N 411 113.133 117.958 -4.825 1
1 511 . 15 1 1 A 50 50 GLN H H 412 8.317 8.494 -0.177 1
1 512 . 15 1 1 A 50 50 GLN HA H 412 4.403 3.936 0.467 1
1 519 . 15 1 1 A 50 50 GLN CA C 412 55.872 58.880 -3.008 1
1 520 . 15 1 1 A 50 50 GLN CB C 412 29.678 26.704 2.974 1
1 522 . 15 1 1 A 50 50 GLN N N 412 119.972 115.900 4.072 1
1 524 . 15 1 1 A 51 51 ASP H H 413 8.533 8.523 0.010 1
1 525 . 15 1 1 A 51 51 ASP HA H 413 4.646 4.820 -0.174 1
1 528 . 15 1 1 A 51 51 ASP CA C 413 54.459 54.137 0.322 1
1 529 . 15 1 1 A 51 51 ASP CB C 413 41.215 41.750 -0.535 1
1 530 . 15 1 1 A 51 51 ASP N N 413 121.378 118.056 3.322 1
1 531 . 15 1 1 A 52 52 GLU H H 414 8.457 7.977 0.480 1
1 532 . 15 1 1 A 52 52 GLU HA H 414 4.392 4.538 -0.146 1
1 537 . 15 1 1 A 52 52 GLU CA C 414 56.700 55.694 1.006 1
1 538 . 15 1 1 A 52 52 GLU CB C 414 30.238 29.852 0.386 1
1 540 . 15 1 1 A 52 52 GLU N N 414 121.491 121.154 0.337 1
1 541 . 15 1 1 A 53 53 THR H H 415 8.263 7.795 0.468 1
1 542 . 15 1 1 A 53 53 THR HA H 415 4.306 4.573 -0.267 1
1 547 . 15 1 1 A 53 53 THR CA C 415 62.113 60.163 1.950 1
1 548 . 15 1 1 A 53 53 THR CB C 415 69.912 68.746 1.166 1
1 550 . 15 1 1 A 53 53 THR N N 415 114.960 113.500 1.460 1
1 551 . 15 1 1 A 54 54 ASP H H 416 8.279 8.452 -0.173 1
1 552 . 15 1 1 A 54 54 ASP HA H 416 4.661 5.035 -0.374 1
1 555 . 15 1 1 A 54 54 ASP CA C 416 53.775 52.884 0.891 1
1 556 . 15 1 1 A 54 54 ASP CB C 416 41.188 41.371 -0.183 1
1 557 . 15 1 1 A 54 54 ASP N N 416 123.335 123.924 -0.589 1
1 1 . 16 1 1 A 2 2 PRO HA H 364 4.519 4.713 -0.194 1
1 8 . 16 1 1 A 2 2 PRO CA C 364 63.238 62.813 0.425 1
1 9 . 16 1 1 A 2 2 PRO CB C 364 32.338 32.357 -0.019 1
1 12 . 16 1 1 A 3 3 LEU H H 365 8.557 8.584 -0.027 1
1 13 . 16 1 1 A 3 3 LEU HA H 365 4.406 4.644 -0.238 1
1 23 . 16 1 1 A 3 3 LEU CA C 365 55.436 53.762 1.674 1
1 24 . 16 1 1 A 3 3 LEU CB C 365 42.304 43.007 -0.703 1
1 28 . 16 1 1 A 3 3 LEU N N 365 122.297 122.786 -0.489 1
1 29 . 16 1 1 A 4 4 GLY H H 366 8.443 8.099 0.344 1
1 30 . 16 1 1 A 4 4 GLY HA2 H 366 4.040 4.050 -0.010 1
1 31 . 16 1 1 A 4 4 GLY HA3 H 366 4.056 4.051 0.005 1
1 32 . 16 1 1 A 4 4 GLY CA C 366 45.361 46.085 -0.724 1
1 33 . 16 1 1 A 4 4 GLY N N 366 110.040 110.351 -0.311 1
1 34 . 16 1 1 A 5 5 SER H H 367 8.374 7.925 0.449 1
1 35 . 16 1 1 A 5 5 SER HA H 367 4.521 4.672 -0.151 1
1 38 . 16 1 1 A 5 5 SER CA C 367 58.573 56.697 1.876 1
1 39 . 16 1 1 A 5 5 SER CB C 367 64.058 62.989 1.069 1
1 40 . 16 1 1 A 5 5 SER N N 367 116.007 116.185 -0.178 1
1 41 . 16 1 1 A 6 6 GLY H H 368 8.639 8.531 0.108 1
1 42 . 16 1 1 A 6 6 GLY HA2 H 368 4.095 3.922 0.173 1
1 43 . 16 1 1 A 6 6 GLY HA3 H 368 4.067 3.951 0.116 1
1 44 . 16 1 1 A 6 6 GLY CA C 368 45.494 45.552 -0.058 1
1 45 . 16 1 1 A 6 6 GLY N N 368 111.362 114.318 -2.956 1
1 46 . 16 1 1 A 7 7 SER H H 369 8.313 8.196 0.117 1
1 47 . 16 1 1 A 7 7 SER HA H 369 4.516 5.006 -0.490 1
1 50 . 16 1 1 A 7 7 SER CA C 369 58.583 56.918 1.665 1
1 51 . 16 1 1 A 7 7 SER CB C 369 63.973 65.115 -1.142 1
1 52 . 16 1 1 A 7 7 SER N N 369 115.885 113.971 1.914 1
1 53 . 16 1 1 A 8 8 GLU H H 370 8.630 9.053 -0.423 1
1 54 . 16 1 1 A 8 8 GLU HA H 370 4.330 4.844 -0.514 1
1 59 . 16 1 1 A 8 8 GLU CA C 370 57.138 55.155 1.983 1
1 60 . 16 1 1 A 8 8 GLU CB C 370 29.984 30.521 -0.537 1
1 62 . 16 1 1 A 8 8 GLU N N 370 122.682 124.732 -2.050 1
1 63 . 16 1 1 A 9 9 GLY H H 371 8.394 8.767 -0.373 1
1 64 . 16 1 1 A 9 9 GLY HA2 H 371 3.976 4.250 -0.274 1
1 65 . 16 1 1 A 9 9 GLY HA3 H 371 3.976 4.254 -0.278 1
1 66 . 16 1 1 A 9 9 GLY CA C 371 45.469 45.808 -0.339 1
1 67 . 16 1 1 A 9 9 GLY N N 371 109.245 110.886 -1.641 1
1 68 . 16 1 1 A 10 10 ASN H H 372 8.283 7.932 0.351 1
1 69 . 16 1 1 A 10 10 ASN HA H 372 4.732 5.019 -0.287 1
1 74 . 16 1 1 A 10 10 ASN CA C 372 53.263 54.144 -0.881 1
1 75 . 16 1 1 A 10 10 ASN CB C 372 38.961 41.168 -2.207 1
1 76 . 16 1 1 A 10 10 ASN N N 372 118.662 116.595 2.067 1
1 78 . 16 1 1 A 11 11 LYS H H 373 8.264 7.719 0.545 1
1 79 . 16 1 1 A 11 11 LYS HA H 373 4.360 4.515 -0.155 1
1 88 . 16 1 1 A 11 11 LYS CA C 373 56.413 55.297 1.116 1
1 89 . 16 1 1 A 11 11 LYS CB C 373 33.054 32.870 0.184 1
1 93 . 16 1 1 A 11 11 LYS N N 373 121.729 117.309 4.420 1
1 94 . 16 1 1 A 12 12 VAL H H 374 8.114 7.932 0.182 1
1 95 . 16 1 1 A 12 12 VAL HA H 374 4.086 4.738 -0.652 1
1 103 . 16 1 1 A 12 12 VAL CA C 374 62.169 60.147 2.022 1
1 104 . 16 1 1 A 12 12 VAL CB C 374 32.862 36.129 -3.267 1
1 107 . 16 1 1 A 12 12 VAL N N 374 121.704 121.510 0.194 1
1 108 . 16 1 1 A 13 13 LYS H H 375 8.415 8.514 -0.099 1
1 109 . 16 1 1 A 13 13 LYS HA H 375 4.383 4.674 -0.291 1
1 118 . 16 1 1 A 13 13 LYS CA C 375 55.989 55.381 0.608 1
1 119 . 16 1 1 A 13 13 LYS CB C 375 33.159 32.604 0.555 1
1 123 . 16 1 1 A 13 13 LYS N N 375 126.419 124.210 2.209 1
1 124 . 16 1 1 A 14 14 ARG H H 376 8.753 8.389 0.364 1
1 125 . 16 1 1 A 14 14 ARG HA H 376 4.363 4.341 0.022 1
1 132 . 16 1 1 A 14 14 ARG CA C 376 56.293 56.207 0.086 1
1 133 . 16 1 1 A 14 14 ARG CB C 376 32.331 31.325 1.006 1
1 136 . 16 1 1 A 14 14 ARG N N 376 123.397 124.601 -1.204 1
1 137 . 16 1 1 A 15 15 THR H H 377 8.081 8.343 -0.262 1
1 138 . 16 1 1 A 15 15 THR HA H 377 4.398 4.786 -0.388 1
1 143 . 16 1 1 A 15 15 THR CA C 377 61.533 61.350 0.183 1
1 144 . 16 1 1 A 15 15 THR CB C 377 70.409 70.618 -0.209 1
1 146 . 16 1 1 A 15 15 THR N N 377 117.600 116.742 0.858 1
1 147 . 16 1 1 A 16 16 SER H H 378 8.614 8.533 0.081 1
1 148 . 16 1 1 A 16 16 SER HA H 378 4.853 4.383 0.470 1
1 151 . 16 1 1 A 16 16 SER CA C 378 59.098 58.974 0.124 1
1 152 . 16 1 1 A 16 16 SER CB C 378 63.763 63.160 0.603 1
1 153 . 16 1 1 A 16 16 SER N N 378 121.120 121.456 -0.336 1
1 154 . 16 1 1 A 17 17 CYS H H 379 9.252 8.791 0.461 1
1 155 . 16 1 1 A 17 17 CYS HA H 379 3.994 4.250 -0.256 1
1 158 . 16 1 1 A 17 17 CYS CA C 379 60.962 59.631 1.331 1
1 159 . 16 1 1 A 17 17 CYS CB C 379 29.581 28.990 0.591 1
1 160 . 16 1 1 A 17 17 CYS N N 379 127.790 124.802 2.988 1
1 161 . 16 1 1 A 18 18 MET H H 380 8.831 8.752 0.079 1
1 162 . 16 1 1 A 18 18 MET HA H 380 4.212 4.017 0.195 1
1 170 . 16 1 1 A 18 18 MET CA C 380 58.209 57.946 0.263 1
1 171 . 16 1 1 A 18 18 MET CB C 380 31.936 31.807 0.129 1
1 174 . 16 1 1 A 18 18 MET N N 380 130.017 125.069 4.948 1
1 175 . 16 1 1 A 19 19 TYR H H 381 8.701 7.677 1.024 1
1 176 . 16 1 1 A 19 19 TYR HA H 381 4.579 4.638 -0.059 1
1 183 . 16 1 1 A 19 19 TYR CA C 381 58.762 58.386 0.376 1
1 184 . 16 1 1 A 19 19 TYR CB C 381 37.595 38.845 -1.250 1
1 189 . 16 1 1 A 19 19 TYR N N 381 120.369 118.350 2.019 1
1 190 . 16 1 1 A 20 20 GLY H H 382 7.760 8.326 -0.566 1
1 191 . 16 1 1 A 20 20 GLY HA2 H 382 3.710 4.019 -0.309 1
1 192 . 16 1 1 A 20 20 GLY HA3 H 382 4.085 4.091 -0.006 1
1 193 . 16 1 1 A 20 20 GLY CA C 382 47.627 47.530 0.097 1
1 194 . 16 1 1 A 20 20 GLY N N 382 107.481 108.902 -1.421 1
1 195 . 16 1 1 A 21 21 ALA H H 383 9.248 8.628 0.620 1
1 196 . 16 1 1 A 21 21 ALA HA H 383 4.354 4.438 -0.084 1
1 200 . 16 1 1 A 21 21 ALA CA C 383 53.398 52.089 1.309 1
1 201 . 16 1 1 A 21 21 ALA CB C 383 18.808 19.716 -0.908 1
1 202 . 16 1 1 A 21 21 ALA N N 383 128.449 128.842 -0.393 1
1 203 . 16 1 1 A 22 22 ASN H H 384 8.261 7.926 0.335 1
1 204 . 16 1 1 A 22 22 ASN HA H 384 4.944 5.003 -0.059 1
1 209 . 16 1 1 A 22 22 ASN CA C 384 52.140 52.876 -0.736 1
1 210 . 16 1 1 A 22 22 ASN CB C 384 38.940 39.703 -0.763 1
1 211 . 16 1 1 A 22 22 ASN N N 384 115.516 115.584 -0.068 1
1 213 . 16 1 1 A 23 23 CYS H H 385 7.174 7.631 -0.457 1
1 214 . 16 1 1 A 23 23 CYS HA H 385 3.736 4.165 -0.429 1
1 217 . 16 1 1 A 23 23 CYS CA C 385 61.867 60.113 1.754 1
1 218 . 16 1 1 A 23 23 CYS CB C 385 29.434 28.712 0.722 1
1 219 . 16 1 1 A 23 23 CYS N N 385 121.580 120.398 1.182 1
1 220 . 16 1 1 A 24 24 TYR H H 386 7.680 8.199 -0.519 1
1 221 . 16 1 1 A 24 24 TYR HA H 386 4.858 4.620 0.238 1
1 228 . 16 1 1 A 24 24 TYR CA C 386 56.348 57.539 -1.191 1
1 229 . 16 1 1 A 24 24 TYR CB C 386 38.216 39.736 -1.520 1
1 234 . 16 1 1 A 24 24 TYR N N 386 126.676 122.784 3.892 1
1 235 . 16 1 1 A 25 25 ARG H H 387 7.988 6.237 1.751 1
1 236 . 16 1 1 A 25 25 ARG HA H 387 4.054 4.181 -0.127 1
1 243 . 16 1 1 A 25 25 ARG CA C 387 56.282 55.816 0.466 1
1 244 . 16 1 1 A 25 25 ARG CB C 387 29.894 29.988 -0.094 1
1 247 . 16 1 1 A 25 25 ARG N N 387 123.491 119.229 4.262 1
1 248 . 16 1 1 A 26 26 LYS H H 388 8.951 8.755 0.196 1
1 249 . 16 1 1 A 26 26 LYS HA H 388 4.635 4.741 -0.106 1
1 258 . 16 1 1 A 26 26 LYS CA C 388 55.605 55.209 0.396 1
1 259 . 16 1 1 A 26 26 LYS CB C 388 34.387 32.454 1.933 1
1 263 . 16 1 1 A 26 26 LYS N N 388 118.569 119.782 -1.213 1
1 264 . 16 1 1 A 27 27 ASN H H 389 8.400 8.029 0.371 1
1 265 . 16 1 1 A 27 27 ASN HA H 389 4.950 5.195 -0.245 1
1 270 . 16 1 1 A 27 27 ASN CA C 389 51.827 50.079 1.748 1
1 271 . 16 1 1 A 27 27 ASN CB C 389 39.171 39.426 -0.255 1
1 272 . 16 1 1 A 27 27 ASN N N 389 122.702 121.301 1.401 1
1 274 . 16 1 1 A 28 28 PRO HA H 390 4.595 4.558 0.037 1
1 281 . 16 1 1 A 28 28 PRO CA C 390 65.632 66.392 -0.760 1
1 282 . 16 1 1 A 28 28 PRO CB C 390 32.574 31.473 1.101 1
1 285 . 16 1 1 A 29 29 VAL H H 391 8.337 7.906 0.431 1
1 286 . 16 1 1 A 29 29 VAL HA H 391 3.818 4.130 -0.312 1
1 294 . 16 1 1 A 29 29 VAL CA C 391 65.608 65.805 -0.197 1
1 295 . 16 1 1 A 29 29 VAL CB C 391 31.546 31.637 -0.091 1
1 298 . 16 1 1 A 29 29 VAL N N 391 117.431 115.750 1.681 1
1 299 . 16 1 1 A 30 30 HIS H H 392 8.037 8.222 -0.185 1
1 300 . 16 1 1 A 30 30 HIS HA H 392 4.565 4.209 0.356 1
1 305 . 16 1 1 A 30 30 HIS CA C 392 60.297 59.202 1.095 1
1 306 . 16 1 1 A 30 30 HIS CB C 392 27.700 29.489 -1.789 1
1 309 . 16 1 1 A 30 30 HIS N N 392 120.267 119.654 0.613 1
1 310 . 16 1 1 A 31 31 PHE H H 393 7.059 8.775 -1.716 1
1 311 . 16 1 1 A 31 31 PHE HA H 393 4.465 4.490 -0.025 1
1 319 . 16 1 1 A 31 31 PHE CA C 393 59.951 61.524 -1.573 1
1 320 . 16 1 1 A 31 31 PHE CB C 393 38.577 38.123 0.454 1
1 326 . 16 1 1 A 31 31 PHE N N 393 114.802 117.313 -2.511 1
1 327 . 16 1 1 A 32 32 GLN H H 394 7.671 7.929 -0.258 1
1 328 . 16 1 1 A 32 32 GLN HA H 394 4.261 4.341 -0.080 1
1 335 . 16 1 1 A 32 32 GLN CA C 394 57.393 58.909 -1.516 1
1 336 . 16 1 1 A 32 32 GLN CB C 394 28.710 28.990 -0.280 1
1 338 . 16 1 1 A 32 32 GLN N N 394 117.129 119.700 -2.571 1
1 340 . 16 1 1 A 33 33 HIS H H 395 7.581 7.546 0.035 1
1 341 . 16 1 1 A 33 33 HIS HA H 395 4.498 4.246 0.252 1
1 346 . 16 1 1 A 33 33 HIS CA C 395 56.467 58.751 -2.284 1
1 347 . 16 1 1 A 33 33 HIS CB C 395 31.398 30.932 0.466 1
1 350 . 16 1 1 A 33 33 HIS N N 395 115.481 115.550 -0.069 1
1 351 . 16 1 1 A 34 34 PHE H H 396 8.044 8.007 0.037 1
1 352 . 16 1 1 A 34 34 PHE HA H 396 5.398 4.921 0.477 1
1 360 . 16 1 1 A 34 34 PHE CA C 396 56.318 56.716 -0.398 1
1 361 . 16 1 1 A 34 34 PHE CB C 396 41.617 41.293 0.324 1
1 367 . 16 1 1 A 34 34 PHE N N 396 117.547 116.211 1.336 1
1 368 . 16 1 1 A 35 35 SER H H 397 8.603 9.708 -1.105 1
1 369 . 16 1 1 A 35 35 SER HA H 397 4.769 5.709 -0.940 1
1 372 . 16 1 1 A 35 35 SER CA C 397 56.350 56.150 0.200 1
1 373 . 16 1 1 A 35 35 SER CB C 397 65.912 66.429 -0.517 1
1 374 . 16 1 1 A 35 35 SER N N 397 114.732 115.799 -1.067 1
1 375 . 16 1 1 A 36 36 HIS H H 398 9.538 9.059 0.479 1
1 376 . 16 1 1 A 36 36 HIS HA H 398 4.572 5.177 -0.605 1
1 381 . 16 1 1 A 36 36 HIS CA C 398 56.432 53.898 2.534 1
1 382 . 16 1 1 A 36 36 HIS CB C 398 29.935 33.204 -3.269 1
1 385 . 16 1 1 A 36 36 HIS N N 398 120.612 119.453 1.159 1
1 386 . 16 1 1 A 37 37 PRO HA H 399 3.457 2.858 0.599 1
1 393 . 16 1 1 A 37 37 PRO CA C 399 64.278 63.058 1.220 1
1 394 . 16 1 1 A 37 37 PRO CB C 399 30.979 30.979 0.000 1
1 397 . 16 1 1 A 38 38 GLY H H 400 8.832 8.609 0.223 1
1 398 . 16 1 1 A 38 38 GLY HA2 H 400 3.593 3.798 -0.205 1
1 399 . 16 1 1 A 38 38 GLY HA3 H 400 4.522 3.804 0.718 1
1 400 . 16 1 1 A 38 38 GLY CA C 400 44.843 45.108 -0.265 1
1 401 . 16 1 1 A 38 38 GLY N N 400 115.162 112.225 2.937 1
1 402 . 16 1 1 A 39 39 ASP H H 401 8.505 7.629 0.876 1
1 403 . 16 1 1 A 39 39 ASP HA H 401 4.938 4.887 0.051 1
1 406 . 16 1 1 A 39 39 ASP CA C 401 54.320 52.767 1.553 1
1 407 . 16 1 1 A 39 39 ASP CB C 401 41.893 42.438 -0.545 1
1 408 . 16 1 1 A 39 39 ASP N N 401 121.905 121.034 0.871 1
1 409 . 16 1 1 A 40 40 SER H H 402 9.378 9.111 0.267 1
1 410 . 16 1 1 A 40 40 SER HA H 402 4.281 4.151 0.130 1
1 413 . 16 1 1 A 40 40 SER CA C 402 61.078 61.297 -0.219 1
1 414 . 16 1 1 A 40 40 SER CB C 402 62.829 62.977 -0.148 1
1 415 . 16 1 1 A 40 40 SER N N 402 119.493 121.406 -1.913 1
1 416 . 16 1 1 A 41 41 ASP H H 403 8.924 7.922 1.002 1
1 417 . 16 1 1 A 41 41 ASP HA H 403 4.697 4.730 -0.033 1
1 420 . 16 1 1 A 41 41 ASP CA C 403 52.287 53.934 -1.647 1
1 421 . 16 1 1 A 41 41 ASP CB C 403 39.077 41.779 -2.702 1
1 422 . 16 1 1 A 41 41 ASP N N 403 116.599 118.168 -1.569 1
1 423 . 16 1 1 A 42 42 TYR H H 404 7.427 7.591 -0.164 1
1 424 . 16 1 1 A 42 42 TYR HA H 404 4.452 4.317 0.135 1
1 431 . 16 1 1 A 42 42 TYR CA C 404 59.218 59.921 -0.703 1
1 432 . 16 1 1 A 42 42 TYR CB C 404 39.543 39.030 0.513 1
1 437 . 16 1 1 A 42 42 TYR N N 404 122.560 123.124 -0.564 1
1 438 . 16 1 1 A 43 43 GLY H H 405 7.715 8.320 -0.605 1
1 439 . 16 1 1 A 43 43 GLY HA2 H 405 3.743 4.013 -0.270 1
1 440 . 16 1 1 A 43 43 GLY HA3 H 405 3.704 4.112 -0.408 1
1 441 . 16 1 1 A 43 43 GLY CA C 405 45.100 45.551 -0.451 1
1 442 . 16 1 1 A 43 43 GLY N N 405 114.997 113.111 1.886 1
1 443 . 16 1 1 A 44 44 GLY H H 406 7.088 8.023 -0.935 1
1 444 . 16 1 1 A 44 44 GLY HA2 H 406 3.887 3.914 -0.027 1
1 445 . 16 1 1 A 44 44 GLY HA3 H 406 3.887 3.938 -0.051 1
1 446 . 16 1 1 A 44 44 GLY CA C 406 45.011 45.856 -0.845 1
1 447 . 16 1 1 A 44 44 GLY N N 406 107.744 109.510 -1.766 1
1 448 . 16 1 1 A 45 45 VAL H H 407 8.064 7.536 0.528 1
1 449 . 16 1 1 A 45 45 VAL HA H 407 4.147 4.314 -0.167 1
1 457 . 16 1 1 A 45 45 VAL CA C 407 62.222 60.895 1.327 1
1 458 . 16 1 1 A 45 45 VAL CB C 407 32.899 31.896 1.003 1
1 461 . 16 1 1 A 45 45 VAL N N 407 119.029 120.347 -1.318 1
1 462 . 16 1 1 A 46 46 GLN H H 408 8.506 8.215 0.291 1
1 463 . 16 1 1 A 46 46 GLN HA H 408 4.433 4.834 -0.401 1
1 470 . 16 1 1 A 46 46 GLN CA C 408 55.631 54.428 1.203 1
1 471 . 16 1 1 A 46 46 GLN CB C 408 29.682 29.646 0.036 1
1 473 . 16 1 1 A 46 46 GLN N N 408 124.737 126.372 -1.635 1
1 475 . 16 1 1 A 47 47 ILE H H 409 8.330 8.804 -0.474 1
1 476 . 16 1 1 A 47 47 ILE HA H 409 4.237 4.222 0.015 1
1 486 . 16 1 1 A 47 47 ILE CA C 409 60.885 61.095 -0.210 1
1 487 . 16 1 1 A 47 47 ILE CB C 409 38.690 35.808 2.882 1
1 491 . 16 1 1 A 47 47 ILE N N 409 123.582 126.058 -2.476 1
1 492 . 16 1 1 A 48 48 VAL H H 410 8.298 8.474 -0.176 1
1 493 . 16 1 1 A 48 48 VAL HA H 410 4.183 4.318 -0.135 1
1 501 . 16 1 1 A 48 48 VAL CA C 410 62.351 61.125 1.226 1
1 502 . 16 1 1 A 48 48 VAL CB C 410 32.841 32.051 0.790 1
1 505 . 16 1 1 A 48 48 VAL N N 410 125.073 127.761 -2.688 1
1 506 . 16 1 1 A 49 49 GLY H H 411 8.609 7.851 0.758 1
1 507 . 16 1 1 A 49 49 GLY HA2 H 411 4.032 4.047 -0.015 1
1 508 . 16 1 1 A 49 49 GLY HA3 H 411 4.008 4.047 -0.039 1
1 509 . 16 1 1 A 49 49 GLY CA C 411 45.281 46.272 -0.991 1
1 510 . 16 1 1 A 49 49 GLY N N 411 113.133 113.092 0.041 1
1 511 . 16 1 1 A 50 50 GLN H H 412 8.317 8.332 -0.015 1
1 512 . 16 1 1 A 50 50 GLN HA H 412 4.403 4.050 0.353 1
1 519 . 16 1 1 A 50 50 GLN CA C 412 55.872 58.952 -3.080 1
1 520 . 16 1 1 A 50 50 GLN CB C 412 29.678 28.612 1.066 1
1 522 . 16 1 1 A 50 50 GLN N N 412 119.972 118.616 1.356 1
1 524 . 16 1 1 A 51 51 ASP H H 413 8.533 8.074 0.459 1
1 525 . 16 1 1 A 51 51 ASP HA H 413 4.646 4.905 -0.259 1
1 528 . 16 1 1 A 51 51 ASP CA C 413 54.459 52.770 1.689 1
1 529 . 16 1 1 A 51 51 ASP CB C 413 41.215 41.783 -0.568 1
1 530 . 16 1 1 A 51 51 ASP N N 413 121.378 117.292 4.086 1
1 531 . 16 1 1 A 52 52 GLU H H 414 8.457 7.984 0.473 1
1 532 . 16 1 1 A 52 52 GLU HA H 414 4.392 4.672 -0.280 1
1 537 . 16 1 1 A 52 52 GLU CA C 414 56.700 55.318 1.382 1
1 538 . 16 1 1 A 52 52 GLU CB C 414 30.238 30.624 -0.386 1
1 540 . 16 1 1 A 52 52 GLU N N 414 121.491 122.943 -1.452 1
1 541 . 16 1 1 A 53 53 THR H H 415 8.263 7.645 0.618 1
1 542 . 16 1 1 A 53 53 THR HA H 415 4.306 4.603 -0.297 1
1 547 . 16 1 1 A 53 53 THR CA C 415 62.113 60.777 1.336 1
1 548 . 16 1 1 A 53 53 THR CB C 415 69.912 69.437 0.475 1
1 550 . 16 1 1 A 53 53 THR N N 415 114.960 118.110 -3.150 1
1 551 . 16 1 1 A 54 54 ASP H H 416 8.279 8.402 -0.123 1
1 552 . 16 1 1 A 54 54 ASP HA H 416 4.661 4.901 -0.240 1
1 555 . 16 1 1 A 54 54 ASP CA C 416 53.775 53.853 -0.078 1
1 556 . 16 1 1 A 54 54 ASP CB C 416 41.188 41.541 -0.353 1
1 557 . 16 1 1 A 54 54 ASP N N 416 123.335 126.060 -2.725 1
1 1 . 17 1 1 A 2 2 PRO HA H 364 4.519 4.762 -0.243 1
1 8 . 17 1 1 A 2 2 PRO CA C 364 63.238 62.694 0.544 1
1 9 . 17 1 1 A 2 2 PRO CB C 364 32.338 31.627 0.711 1
1 12 . 17 1 1 A 3 3 LEU H H 365 8.557 8.569 -0.012 1
1 13 . 17 1 1 A 3 3 LEU HA H 365 4.406 5.045 -0.639 1
1 23 . 17 1 1 A 3 3 LEU CA C 365 55.436 53.354 2.082 1
1 24 . 17 1 1 A 3 3 LEU CB C 365 42.304 46.091 -3.787 1
1 28 . 17 1 1 A 3 3 LEU N N 365 122.297 124.787 -2.490 1
1 29 . 17 1 1 A 4 4 GLY H H 366 8.443 9.136 -0.693 1
1 30 . 17 1 1 A 4 4 GLY HA2 H 366 4.040 4.194 -0.154 1
1 31 . 17 1 1 A 4 4 GLY HA3 H 366 4.056 4.198 -0.142 1
1 32 . 17 1 1 A 4 4 GLY CA C 366 45.361 44.538 0.823 1
1 33 . 17 1 1 A 4 4 GLY N N 366 110.040 113.725 -3.685 1
1 34 . 17 1 1 A 5 5 SER H H 367 8.374 8.843 -0.469 1
1 35 . 17 1 1 A 5 5 SER HA H 367 4.521 5.265 -0.744 1
1 38 . 17 1 1 A 5 5 SER CA C 367 58.573 56.650 1.923 1
1 39 . 17 1 1 A 5 5 SER CB C 367 64.058 65.320 -1.262 1
1 40 . 17 1 1 A 5 5 SER N N 367 116.007 117.212 -1.205 1
1 41 . 17 1 1 A 6 6 GLY H H 368 8.639 8.874 -0.235 1
1 42 . 17 1 1 A 6 6 GLY HA2 H 368 4.095 4.203 -0.108 1
1 43 . 17 1 1 A 6 6 GLY HA3 H 368 4.067 4.228 -0.161 1
1 44 . 17 1 1 A 6 6 GLY CA C 368 45.494 44.796 0.698 1
1 45 . 17 1 1 A 6 6 GLY N N 368 111.362 113.817 -2.455 1
1 46 . 17 1 1 A 7 7 SER H H 369 8.313 8.908 -0.595 1
1 47 . 17 1 1 A 7 7 SER HA H 369 4.516 5.172 -0.656 1
1 50 . 17 1 1 A 7 7 SER CA C 369 58.583 57.638 0.945 1
1 51 . 17 1 1 A 7 7 SER CB C 369 63.973 64.647 -0.674 1
1 52 . 17 1 1 A 7 7 SER N N 369 115.885 121.538 -5.653 1
1 53 . 17 1 1 A 8 8 GLU H H 370 8.630 8.611 0.019 1
1 54 . 17 1 1 A 8 8 GLU HA H 370 4.330 4.976 -0.646 1
1 59 . 17 1 1 A 8 8 GLU CA C 370 57.138 54.420 2.718 1
1 60 . 17 1 1 A 8 8 GLU CB C 370 29.984 33.182 -3.198 1
1 62 . 17 1 1 A 8 8 GLU N N 370 122.682 123.541 -0.859 1
1 63 . 17 1 1 A 9 9 GLY H H 371 8.394 8.692 -0.298 1
1 64 . 17 1 1 A 9 9 GLY HA2 H 371 3.976 4.107 -0.131 1
1 65 . 17 1 1 A 9 9 GLY HA3 H 371 3.976 4.125 -0.149 1
1 66 . 17 1 1 A 9 9 GLY CA C 371 45.469 44.806 0.663 1
1 67 . 17 1 1 A 9 9 GLY N N 371 109.245 108.336 0.909 1
1 68 . 17 1 1 A 10 10 ASN H H 372 8.283 8.273 0.010 1
1 69 . 17 1 1 A 10 10 ASN HA H 372 4.732 5.135 -0.403 1
1 74 . 17 1 1 A 10 10 ASN CA C 372 53.263 51.811 1.452 1
1 75 . 17 1 1 A 10 10 ASN CB C 372 38.961 39.473 -0.512 1
1 76 . 17 1 1 A 10 10 ASN N N 372 118.662 120.450 -1.788 1
1 78 . 17 1 1 A 11 11 LYS H H 373 8.264 8.201 0.063 1
1 79 . 17 1 1 A 11 11 LYS HA H 373 4.360 3.771 0.589 1
1 88 . 17 1 1 A 11 11 LYS CA C 373 56.413 57.205 -0.792 1
1 89 . 17 1 1 A 11 11 LYS CB C 373 33.054 29.928 3.126 1
1 93 . 17 1 1 A 11 11 LYS N N 373 121.729 117.943 3.786 1
1 94 . 17 1 1 A 12 12 VAL H H 374 8.114 7.784 0.330 1
1 95 . 17 1 1 A 12 12 VAL HA H 374 4.086 4.727 -0.641 1
1 103 . 17 1 1 A 12 12 VAL CA C 374 62.169 59.481 2.688 1
1 104 . 17 1 1 A 12 12 VAL CB C 374 32.862 35.795 -2.933 1
1 107 . 17 1 1 A 12 12 VAL N N 374 121.704 117.850 3.854 1
1 108 . 17 1 1 A 13 13 LYS H H 375 8.415 8.223 0.192 1
1 109 . 17 1 1 A 13 13 LYS HA H 375 4.383 4.551 -0.168 1
1 118 . 17 1 1 A 13 13 LYS CA C 375 55.989 55.617 0.372 1
1 119 . 17 1 1 A 13 13 LYS CB C 375 33.159 31.942 1.217 1
1 123 . 17 1 1 A 13 13 LYS N N 375 126.419 125.025 1.394 1
1 124 . 17 1 1 A 14 14 ARG H H 376 8.753 7.983 0.770 1
1 125 . 17 1 1 A 14 14 ARG HA H 376 4.363 4.292 0.071 1
1 132 . 17 1 1 A 14 14 ARG CA C 376 56.293 56.746 -0.453 1
1 133 . 17 1 1 A 14 14 ARG CB C 376 32.331 30.683 1.648 1
1 136 . 17 1 1 A 14 14 ARG N N 376 123.397 124.960 -1.563 1
1 137 . 17 1 1 A 15 15 THR H H 377 8.081 8.314 -0.233 1
1 138 . 17 1 1 A 15 15 THR HA H 377 4.398 4.378 0.020 1
1 143 . 17 1 1 A 15 15 THR CA C 377 61.533 62.625 -1.092 1
1 144 . 17 1 1 A 15 15 THR CB C 377 70.409 69.686 0.723 1
1 146 . 17 1 1 A 15 15 THR N N 377 117.600 117.837 -0.237 1
1 147 . 17 1 1 A 16 16 SER H H 378 8.614 8.384 0.230 1
1 148 . 17 1 1 A 16 16 SER HA H 378 4.853 4.428 0.425 1
1 151 . 17 1 1 A 16 16 SER CA C 378 59.098 57.971 1.127 1
1 152 . 17 1 1 A 16 16 SER CB C 378 63.763 64.199 -0.436 1
1 153 . 17 1 1 A 16 16 SER N N 378 121.120 120.999 0.121 1
1 154 . 17 1 1 A 17 17 CYS H H 379 9.252 8.599 0.653 1
1 155 . 17 1 1 A 17 17 CYS HA H 379 3.994 4.589 -0.595 1
1 158 . 17 1 1 A 17 17 CYS CA C 379 60.962 59.208 1.754 1
1 159 . 17 1 1 A 17 17 CYS CB C 379 29.581 28.228 1.353 1
1 160 . 17 1 1 A 17 17 CYS N N 379 127.790 122.916 4.874 1
1 161 . 17 1 1 A 18 18 MET H H 380 8.831 8.629 0.202 1
1 162 . 17 1 1 A 18 18 MET HA H 380 4.212 4.147 0.065 1
1 170 . 17 1 1 A 18 18 MET CA C 380 58.209 58.151 0.058 1
1 171 . 17 1 1 A 18 18 MET CB C 380 31.936 31.688 0.248 1
1 174 . 17 1 1 A 18 18 MET N N 380 130.017 125.387 4.630 1
1 175 . 17 1 1 A 19 19 TYR H H 381 8.701 7.857 0.844 1
1 176 . 17 1 1 A 19 19 TYR HA H 381 4.579 4.632 -0.053 1
1 183 . 17 1 1 A 19 19 TYR CA C 381 58.762 58.360 0.402 1
1 184 . 17 1 1 A 19 19 TYR CB C 381 37.595 38.730 -1.135 1
1 189 . 17 1 1 A 19 19 TYR N N 381 120.369 117.099 3.270 1
1 190 . 17 1 1 A 20 20 GLY H H 382 7.760 8.296 -0.536 1
1 191 . 17 1 1 A 20 20 GLY HA2 H 382 3.710 4.022 -0.312 1
1 192 . 17 1 1 A 20 20 GLY HA3 H 382 4.085 4.112 -0.027 1
1 193 . 17 1 1 A 20 20 GLY CA C 382 47.627 47.534 0.093 1
1 194 . 17 1 1 A 20 20 GLY N N 382 107.481 108.773 -1.292 1
1 195 . 17 1 1 A 21 21 ALA H H 383 9.248 8.520 0.728 1
1 196 . 17 1 1 A 21 21 ALA HA H 383 4.354 4.388 -0.034 1
1 200 . 17 1 1 A 21 21 ALA CA C 383 53.398 52.390 1.008 1
1 201 . 17 1 1 A 21 21 ALA CB C 383 18.808 19.896 -1.088 1
1 202 . 17 1 1 A 21 21 ALA N N 383 128.449 129.275 -0.826 1
1 203 . 17 1 1 A 22 22 ASN H H 384 8.261 7.936 0.325 1
1 204 . 17 1 1 A 22 22 ASN HA H 384 4.944 4.993 -0.049 1
1 209 . 17 1 1 A 22 22 ASN CA C 384 52.140 53.237 -1.097 1
1 210 . 17 1 1 A 22 22 ASN CB C 384 38.940 39.564 -0.624 1
1 211 . 17 1 1 A 22 22 ASN N N 384 115.516 114.791 0.725 1
1 213 . 17 1 1 A 23 23 CYS H H 385 7.174 7.717 -0.543 1
1 214 . 17 1 1 A 23 23 CYS HA H 385 3.736 3.976 -0.240 1
1 217 . 17 1 1 A 23 23 CYS CA C 385 61.867 60.048 1.819 1
1 218 . 17 1 1 A 23 23 CYS CB C 385 29.434 28.322 1.112 1
1 219 . 17 1 1 A 23 23 CYS N N 385 121.580 120.266 1.314 1
1 220 . 17 1 1 A 24 24 TYR H H 386 7.680 7.954 -0.274 1
1 221 . 17 1 1 A 24 24 TYR HA H 386 4.858 4.635 0.223 1
1 228 . 17 1 1 A 24 24 TYR CA C 386 56.348 57.408 -1.060 1
1 229 . 17 1 1 A 24 24 TYR CB C 386 38.216 39.736 -1.520 1
1 234 . 17 1 1 A 24 24 TYR N N 386 126.676 122.973 3.703 1
1 235 . 17 1 1 A 25 25 ARG H H 387 7.988 6.142 1.846 1
1 236 . 17 1 1 A 25 25 ARG HA H 387 4.054 4.115 -0.061 1
1 243 . 17 1 1 A 25 25 ARG CA C 387 56.282 55.816 0.466 1
1 244 . 17 1 1 A 25 25 ARG CB C 387 29.894 30.030 -0.136 1
1 247 . 17 1 1 A 25 25 ARG N N 387 123.491 119.692 3.799 1
1 248 . 17 1 1 A 26 26 LYS H H 388 8.951 8.712 0.239 1
1 249 . 17 1 1 A 26 26 LYS HA H 388 4.635 4.575 0.060 1
1 258 . 17 1 1 A 26 26 LYS CA C 388 55.605 55.348 0.257 1
1 259 . 17 1 1 A 26 26 LYS CB C 388 34.387 32.363 2.024 1
1 263 . 17 1 1 A 26 26 LYS N N 388 118.569 118.288 0.281 1
1 264 . 17 1 1 A 27 27 ASN H H 389 8.400 7.747 0.653 1
1 265 . 17 1 1 A 27 27 ASN HA H 389 4.950 5.194 -0.244 1
1 270 . 17 1 1 A 27 27 ASN CA C 389 51.827 49.782 2.045 1
1 271 . 17 1 1 A 27 27 ASN CB C 389 39.171 39.694 -0.523 1
1 272 . 17 1 1 A 27 27 ASN N N 389 122.702 118.988 3.714 1
1 274 . 17 1 1 A 28 28 PRO HA H 390 4.595 4.642 -0.047 1
1 281 . 17 1 1 A 28 28 PRO CA C 390 65.632 66.281 -0.649 1
1 282 . 17 1 1 A 28 28 PRO CB C 390 32.574 31.542 1.032 1
1 285 . 17 1 1 A 29 29 VAL H H 391 8.337 7.869 0.468 1
1 286 . 17 1 1 A 29 29 VAL HA H 391 3.818 4.098 -0.280 1
1 294 . 17 1 1 A 29 29 VAL CA C 391 65.608 65.522 0.086 1
1 295 . 17 1 1 A 29 29 VAL CB C 391 31.546 31.567 -0.021 1
1 298 . 17 1 1 A 29 29 VAL N N 391 117.431 115.747 1.684 1
1 299 . 17 1 1 A 30 30 HIS H H 392 8.037 8.103 -0.066 1
1 300 . 17 1 1 A 30 30 HIS HA H 392 4.565 4.089 0.476 1
1 305 . 17 1 1 A 30 30 HIS CA C 392 60.297 58.976 1.321 1
1 306 . 17 1 1 A 30 30 HIS CB C 392 27.700 29.483 -1.783 1
1 309 . 17 1 1 A 30 30 HIS N N 392 120.267 119.512 0.755 1
1 310 . 17 1 1 A 31 31 PHE H H 393 7.059 8.691 -1.632 1
1 311 . 17 1 1 A 31 31 PHE HA H 393 4.465 4.426 0.039 1
1 319 . 17 1 1 A 31 31 PHE CA C 393 59.951 61.668 -1.717 1
1 320 . 17 1 1 A 31 31 PHE CB C 393 38.577 38.406 0.171 1
1 326 . 17 1 1 A 31 31 PHE N N 393 114.802 117.771 -2.969 1
1 327 . 17 1 1 A 32 32 GLN H H 394 7.671 7.862 -0.191 1
1 328 . 17 1 1 A 32 32 GLN HA H 394 4.261 4.284 -0.023 1
1 335 . 17 1 1 A 32 32 GLN CA C 394 57.393 58.704 -1.311 1
1 336 . 17 1 1 A 32 32 GLN CB C 394 28.710 28.227 0.483 1
1 338 . 17 1 1 A 32 32 GLN N N 394 117.129 119.092 -1.963 1
1 340 . 17 1 1 A 33 33 HIS H H 395 7.581 7.576 0.005 1
1 341 . 17 1 1 A 33 33 HIS HA H 395 4.498 4.128 0.370 1
1 346 . 17 1 1 A 33 33 HIS CA C 395 56.467 58.244 -1.777 1
1 347 . 17 1 1 A 33 33 HIS CB C 395 31.398 30.312 1.086 1
1 350 . 17 1 1 A 33 33 HIS N N 395 115.481 115.834 -0.353 1
1 351 . 17 1 1 A 34 34 PHE H H 396 8.044 7.633 0.411 1
1 352 . 17 1 1 A 34 34 PHE HA H 396 5.398 5.139 0.259 1
1 360 . 17 1 1 A 34 34 PHE CA C 396 56.318 56.078 0.240 1
1 361 . 17 1 1 A 34 34 PHE CB C 396 41.617 42.755 -1.138 1
1 367 . 17 1 1 A 34 34 PHE N N 396 117.547 115.656 1.891 1
1 368 . 17 1 1 A 35 35 SER H H 397 8.603 9.596 -0.993 1
1 369 . 17 1 1 A 35 35 SER HA H 397 4.769 5.050 -0.281 1
1 372 . 17 1 1 A 35 35 SER CA C 397 56.350 56.583 -0.233 1
1 373 . 17 1 1 A 35 35 SER CB C 397 65.912 64.783 1.129 1
1 374 . 17 1 1 A 35 35 SER N N 397 114.732 117.256 -2.524 1
1 375 . 17 1 1 A 36 36 HIS H H 398 9.538 8.885 0.653 1
1 376 . 17 1 1 A 36 36 HIS HA H 398 4.572 5.120 -0.548 1
1 381 . 17 1 1 A 36 36 HIS CA C 398 56.432 53.912 2.520 1
1 382 . 17 1 1 A 36 36 HIS CB C 398 29.935 32.991 -3.056 1
1 385 . 17 1 1 A 36 36 HIS N N 398 120.612 120.835 -0.223 1
1 386 . 17 1 1 A 37 37 PRO HA H 399 3.457 3.316 0.141 1
1 393 . 17 1 1 A 37 37 PRO CA C 399 64.278 63.176 1.102 1
1 394 . 17 1 1 A 37 37 PRO CB C 399 30.979 31.015 -0.036 1
1 397 . 17 1 1 A 38 38 GLY H H 400 8.832 8.708 0.124 1
1 398 . 17 1 1 A 38 38 GLY HA2 H 400 3.593 3.810 -0.217 1
1 399 . 17 1 1 A 38 38 GLY HA3 H 400 4.522 3.817 0.705 1
1 400 . 17 1 1 A 38 38 GLY CA C 400 44.843 45.119 -0.276 1
1 401 . 17 1 1 A 38 38 GLY N N 400 115.162 112.214 2.948 1
1 402 . 17 1 1 A 39 39 ASP H H 401 8.505 7.606 0.899 1
1 403 . 17 1 1 A 39 39 ASP HA H 401 4.938 4.866 0.072 1
1 406 . 17 1 1 A 39 39 ASP CA C 401 54.320 53.342 0.978 1
1 407 . 17 1 1 A 39 39 ASP CB C 401 41.893 42.660 -0.767 1
1 408 . 17 1 1 A 39 39 ASP N N 401 121.905 121.144 0.761 1
1 409 . 17 1 1 A 40 40 SER H H 402 9.378 9.056 0.322 1
1 410 . 17 1 1 A 40 40 SER HA H 402 4.281 4.174 0.107 1
1 413 . 17 1 1 A 40 40 SER CA C 402 61.078 61.170 -0.092 1
1 414 . 17 1 1 A 40 40 SER CB C 402 62.829 62.984 -0.155 1
1 415 . 17 1 1 A 40 40 SER N N 402 119.493 117.672 1.821 1
1 416 . 17 1 1 A 41 41 ASP H H 403 8.924 7.985 0.939 1
1 417 . 17 1 1 A 41 41 ASP HA H 403 4.697 4.844 -0.147 1
1 420 . 17 1 1 A 41 41 ASP CA C 403 52.287 53.732 -1.445 1
1 421 . 17 1 1 A 41 41 ASP CB C 403 39.077 41.600 -2.523 1
1 422 . 17 1 1 A 41 41 ASP N N 403 116.599 118.176 -1.577 1
1 423 . 17 1 1 A 42 42 TYR H H 404 7.427 7.640 -0.213 1
1 424 . 17 1 1 A 42 42 TYR HA H 404 4.452 4.348 0.104 1
1 431 . 17 1 1 A 42 42 TYR CA C 404 59.218 59.627 -0.409 1
1 432 . 17 1 1 A 42 42 TYR CB C 404 39.543 39.145 0.398 1
1 437 . 17 1 1 A 42 42 TYR N N 404 122.560 123.220 -0.660 1
1 438 . 17 1 1 A 43 43 GLY H H 405 7.715 8.461 -0.746 1
1 439 . 17 1 1 A 43 43 GLY HA2 H 405 3.743 3.662 0.081 1
1 440 . 17 1 1 A 43 43 GLY HA3 H 405 3.704 3.741 -0.037 1
1 441 . 17 1 1 A 43 43 GLY CA C 405 45.100 46.068 -0.968 1
1 442 . 17 1 1 A 43 43 GLY N N 405 114.997 113.243 1.754 1
1 443 . 17 1 1 A 44 44 GLY H H 406 7.088 6.476 0.612 1
1 444 . 17 1 1 A 44 44 GLY HA2 H 406 3.887 3.905 -0.018 1
1 445 . 17 1 1 A 44 44 GLY HA3 H 406 3.887 3.959 -0.072 1
1 446 . 17 1 1 A 44 44 GLY CA C 406 45.011 44.161 0.850 1
1 447 . 17 1 1 A 44 44 GLY N N 406 107.744 105.527 2.217 1
1 448 . 17 1 1 A 45 45 VAL H H 407 8.064 8.209 -0.145 1
1 449 . 17 1 1 A 45 45 VAL HA H 407 4.147 4.707 -0.560 1
1 457 . 17 1 1 A 45 45 VAL CA C 407 62.222 61.675 0.547 1
1 458 . 17 1 1 A 45 45 VAL CB C 407 32.899 33.772 -0.873 1
1 461 . 17 1 1 A 45 45 VAL N N 407 119.029 121.994 -2.965 1
1 462 . 17 1 1 A 46 46 GLN H H 408 8.506 9.032 -0.526 1
1 463 . 17 1 1 A 46 46 GLN HA H 408 4.433 4.975 -0.542 1
1 470 . 17 1 1 A 46 46 GLN CA C 408 55.631 54.943 0.688 1
1 471 . 17 1 1 A 46 46 GLN CB C 408 29.682 28.925 0.757 1
1 473 . 17 1 1 A 46 46 GLN N N 408 124.737 124.498 0.239 1
1 475 . 17 1 1 A 47 47 ILE H H 409 8.330 8.695 -0.365 1
1 476 . 17 1 1 A 47 47 ILE HA H 409 4.237 4.527 -0.290 1
1 486 . 17 1 1 A 47 47 ILE CA C 409 60.885 60.730 0.155 1
1 487 . 17 1 1 A 47 47 ILE CB C 409 38.690 36.675 2.015 1
1 491 . 17 1 1 A 47 47 ILE N N 409 123.582 126.020 -2.438 1
1 492 . 17 1 1 A 48 48 VAL H H 410 8.298 8.634 -0.336 1
1 493 . 17 1 1 A 48 48 VAL HA H 410 4.183 4.404 -0.221 1
1 501 . 17 1 1 A 48 48 VAL CA C 410 62.351 60.978 1.373 1
1 502 . 17 1 1 A 48 48 VAL CB C 410 32.841 32.172 0.669 1
1 505 . 17 1 1 A 48 48 VAL N N 410 125.073 127.899 -2.826 1
1 506 . 17 1 1 A 49 49 GLY H H 411 8.609 8.464 0.145 1
1 507 . 17 1 1 A 49 49 GLY HA2 H 411 4.032 3.976 0.056 1
1 508 . 17 1 1 A 49 49 GLY HA3 H 411 4.008 3.979 0.029 1
1 509 . 17 1 1 A 49 49 GLY CA C 411 45.281 46.478 -1.197 1
1 510 . 17 1 1 A 49 49 GLY N N 411 113.133 115.754 -2.621 1
1 511 . 17 1 1 A 50 50 GLN H H 412 8.317 8.290 0.027 1
1 512 . 17 1 1 A 50 50 GLN HA H 412 4.403 4.077 0.326 1
1 519 . 17 1 1 A 50 50 GLN CA C 412 55.872 58.792 -2.920 1
1 520 . 17 1 1 A 50 50 GLN CB C 412 29.678 28.684 0.994 1
1 522 . 17 1 1 A 50 50 GLN N N 412 119.972 118.282 1.690 1
1 524 . 17 1 1 A 51 51 ASP H H 413 8.533 7.986 0.547 1
1 525 . 17 1 1 A 51 51 ASP HA H 413 4.646 4.801 -0.155 1
1 528 . 17 1 1 A 51 51 ASP CA C 413 54.459 53.294 1.165 1
1 529 . 17 1 1 A 51 51 ASP CB C 413 41.215 41.612 -0.397 1
1 530 . 17 1 1 A 51 51 ASP N N 413 121.378 116.986 4.392 1
1 531 . 17 1 1 A 52 52 GLU H H 414 8.457 7.941 0.516 1
1 532 . 17 1 1 A 52 52 GLU HA H 414 4.392 4.598 -0.206 1
1 537 . 17 1 1 A 52 52 GLU CA C 414 56.700 55.581 1.119 1
1 538 . 17 1 1 A 52 52 GLU CB C 414 30.238 29.680 0.558 1
1 540 . 17 1 1 A 52 52 GLU N N 414 121.491 121.116 0.375 1
1 541 . 17 1 1 A 53 53 THR H H 415 8.263 8.384 -0.121 1
1 542 . 17 1 1 A 53 53 THR HA H 415 4.306 4.641 -0.335 1
1 547 . 17 1 1 A 53 53 THR CA C 415 62.113 60.087 2.026 1
1 548 . 17 1 1 A 53 53 THR CB C 415 69.912 68.587 1.325 1
1 550 . 17 1 1 A 53 53 THR N N 415 114.960 112.303 2.657 1
1 551 . 17 1 1 A 54 54 ASP H H 416 8.279 8.208 0.071 1
1 552 . 17 1 1 A 54 54 ASP HA H 416 4.661 4.206 0.455 1
1 555 . 17 1 1 A 54 54 ASP CA C 416 53.775 55.174 -1.399 1
1 556 . 17 1 1 A 54 54 ASP CB C 416 41.188 39.463 1.725 1
1 557 . 17 1 1 A 54 54 ASP N N 416 123.335 116.895 6.440 1
1 1 . 18 1 1 A 2 2 PRO HA H 364 4.519 4.785 -0.266 1
1 8 . 18 1 1 A 2 2 PRO CA C 364 63.238 62.659 0.579 1
1 9 . 18 1 1 A 2 2 PRO CB C 364 32.338 32.007 0.331 1
1 12 . 18 1 1 A 3 3 LEU H H 365 8.557 8.711 -0.154 1
1 13 . 18 1 1 A 3 3 LEU HA H 365 4.406 4.434 -0.028 1
1 23 . 18 1 1 A 3 3 LEU CA C 365 55.436 55.652 -0.216 1
1 24 . 18 1 1 A 3 3 LEU CB C 365 42.304 43.871 -1.567 1
1 28 . 18 1 1 A 3 3 LEU N N 365 122.297 120.117 2.180 1
1 29 . 18 1 1 A 4 4 GLY H H 366 8.443 7.832 0.611 1
1 30 . 18 1 1 A 4 4 GLY HA2 H 366 4.040 3.858 0.182 1
1 31 . 18 1 1 A 4 4 GLY HA3 H 366 4.056 3.922 0.134 1
1 32 . 18 1 1 A 4 4 GLY CA C 366 45.361 46.635 -1.274 1
1 33 . 18 1 1 A 4 4 GLY N N 366 110.040 107.043 2.997 1
1 34 . 18 1 1 A 5 5 SER H H 367 8.374 8.443 -0.069 1
1 35 . 18 1 1 A 5 5 SER HA H 367 4.521 4.685 -0.164 1
1 38 . 18 1 1 A 5 5 SER CA C 367 58.573 57.403 1.170 1
1 39 . 18 1 1 A 5 5 SER CB C 367 64.058 63.685 0.373 1
1 40 . 18 1 1 A 5 5 SER N N 367 116.007 118.013 -2.006 1
1 41 . 18 1 1 A 6 6 GLY H H 368 8.639 7.574 1.065 1
1 42 . 18 1 1 A 6 6 GLY HA2 H 368 4.095 4.125 -0.030 1
1 43 . 18 1 1 A 6 6 GLY HA3 H 368 4.067 4.127 -0.060 1
1 44 . 18 1 1 A 6 6 GLY CA C 368 45.494 44.561 0.933 1
1 45 . 18 1 1 A 6 6 GLY N N 368 111.362 109.550 1.812 1
1 46 . 18 1 1 A 7 7 SER H H 369 8.313 8.639 -0.326 1
1 47 . 18 1 1 A 7 7 SER HA H 369 4.516 4.864 -0.348 1
1 50 . 18 1 1 A 7 7 SER CA C 369 58.583 57.263 1.320 1
1 51 . 18 1 1 A 7 7 SER CB C 369 63.973 63.903 0.070 1
1 52 . 18 1 1 A 7 7 SER N N 369 115.885 117.156 -1.271 1
1 53 . 18 1 1 A 8 8 GLU H H 370 8.630 7.678 0.952 1
1 54 . 18 1 1 A 8 8 GLU HA H 370 4.330 4.580 -0.250 1
1 59 . 18 1 1 A 8 8 GLU CA C 370 57.138 54.929 2.209 1
1 60 . 18 1 1 A 8 8 GLU CB C 370 29.984 32.727 -2.743 1
1 62 . 18 1 1 A 8 8 GLU N N 370 122.682 117.636 5.046 1
1 63 . 18 1 1 A 9 9 GLY H H 371 8.394 8.732 -0.338 1
1 64 . 18 1 1 A 9 9 GLY HA2 H 371 3.976 3.907 0.069 1
1 65 . 18 1 1 A 9 9 GLY HA3 H 371 3.976 3.919 0.057 1
1 66 . 18 1 1 A 9 9 GLY CA C 371 45.469 46.696 -1.227 1
1 67 . 18 1 1 A 9 9 GLY N N 371 109.245 108.651 0.594 1
1 68 . 18 1 1 A 10 10 ASN H H 372 8.283 7.852 0.431 1
1 69 . 18 1 1 A 10 10 ASN HA H 372 4.732 5.141 -0.409 1
1 74 . 18 1 1 A 10 10 ASN CA C 372 53.263 52.128 1.135 1
1 75 . 18 1 1 A 10 10 ASN CB C 372 38.961 39.332 -0.371 1
1 76 . 18 1 1 A 10 10 ASN N N 372 118.662 115.504 3.158 1
1 78 . 18 1 1 A 11 11 LYS H H 373 8.264 7.815 0.449 1
1 79 . 18 1 1 A 11 11 LYS HA H 373 4.360 4.070 0.290 1
1 88 . 18 1 1 A 11 11 LYS CA C 373 56.413 57.191 -0.778 1
1 89 . 18 1 1 A 11 11 LYS CB C 373 33.054 30.215 2.839 1
1 93 . 18 1 1 A 11 11 LYS N N 373 121.729 114.748 6.981 1
1 94 . 18 1 1 A 12 12 VAL H H 374 8.114 7.791 0.323 1
1 95 . 18 1 1 A 12 12 VAL HA H 374 4.086 4.793 -0.707 1
1 103 . 18 1 1 A 12 12 VAL CA C 374 62.169 59.403 2.766 1
1 104 . 18 1 1 A 12 12 VAL CB C 374 32.862 35.739 -2.877 1
1 107 . 18 1 1 A 12 12 VAL N N 374 121.704 117.884 3.820 1
1 108 . 18 1 1 A 13 13 LYS H H 375 8.415 8.318 0.097 1
1 109 . 18 1 1 A 13 13 LYS HA H 375 4.383 4.489 -0.106 1
1 118 . 18 1 1 A 13 13 LYS CA C 375 55.989 55.575 0.414 1
1 119 . 18 1 1 A 13 13 LYS CB C 375 33.159 32.103 1.056 1
1 123 . 18 1 1 A 13 13 LYS N N 375 126.419 125.641 0.778 1
1 124 . 18 1 1 A 14 14 ARG H H 376 8.753 7.928 0.825 1
1 125 . 18 1 1 A 14 14 ARG HA H 376 4.363 4.294 0.069 1
1 132 . 18 1 1 A 14 14 ARG CA C 376 56.293 56.751 -0.458 1
1 133 . 18 1 1 A 14 14 ARG CB C 376 32.331 30.692 1.639 1
1 136 . 18 1 1 A 14 14 ARG N N 376 123.397 126.432 -3.035 1
1 137 . 18 1 1 A 15 15 THR H H 377 8.081 8.459 -0.378 1
1 138 . 18 1 1 A 15 15 THR HA H 377 4.398 4.438 -0.040 1
1 143 . 18 1 1 A 15 15 THR CA C 377 61.533 62.762 -1.229 1
1 144 . 18 1 1 A 15 15 THR CB C 377 70.409 69.223 1.186 1
1 146 . 18 1 1 A 15 15 THR N N 377 117.600 116.736 0.864 1
1 147 . 18 1 1 A 16 16 SER H H 378 8.614 8.174 0.440 1
1 148 . 18 1 1 A 16 16 SER HA H 378 4.853 4.432 0.421 1
1 151 . 18 1 1 A 16 16 SER CA C 378 59.098 58.654 0.444 1
1 152 . 18 1 1 A 16 16 SER CB C 378 63.763 63.793 -0.030 1
1 153 . 18 1 1 A 16 16 SER N N 378 121.120 120.492 0.628 1
1 154 . 18 1 1 A 17 17 CYS H H 379 9.252 8.374 0.878 1
1 155 . 18 1 1 A 17 17 CYS HA H 379 3.994 4.588 -0.594 1
1 158 . 18 1 1 A 17 17 CYS CA C 379 60.962 58.812 2.150 1
1 159 . 18 1 1 A 17 17 CYS CB C 379 29.581 28.595 0.986 1
1 160 . 18 1 1 A 17 17 CYS N N 379 127.790 123.633 4.157 1
1 161 . 18 1 1 A 18 18 MET H H 380 8.831 8.471 0.360 1
1 162 . 18 1 1 A 18 18 MET HA H 380 4.212 4.026 0.186 1
1 170 . 18 1 1 A 18 18 MET CA C 380 58.209 57.843 0.366 1
1 171 . 18 1 1 A 18 18 MET CB C 380 31.936 31.102 0.834 1
1 174 . 18 1 1 A 18 18 MET N N 380 130.017 125.437 4.580 1
1 175 . 18 1 1 A 19 19 TYR H H 381 8.701 7.553 1.148 1
1 176 . 18 1 1 A 19 19 TYR HA H 381 4.579 4.608 -0.029 1
1 183 . 18 1 1 A 19 19 TYR CA C 381 58.762 58.421 0.341 1
1 184 . 18 1 1 A 19 19 TYR CB C 381 37.595 38.641 -1.046 1
1 189 . 18 1 1 A 19 19 TYR N N 381 120.369 117.324 3.045 1
1 190 . 18 1 1 A 20 20 GLY H H 382 7.760 8.105 -0.345 1
1 191 . 18 1 1 A 20 20 GLY HA2 H 382 3.710 3.980 -0.270 1
1 192 . 18 1 1 A 20 20 GLY HA3 H 382 4.085 4.036 0.049 1
1 193 . 18 1 1 A 20 20 GLY CA C 382 47.627 47.493 0.134 1
1 194 . 18 1 1 A 20 20 GLY N N 382 107.481 108.416 -0.935 1
1 195 . 18 1 1 A 21 21 ALA H H 383 9.248 8.405 0.843 1
1 196 . 18 1 1 A 21 21 ALA HA H 383 4.354 4.430 -0.076 1
1 200 . 18 1 1 A 21 21 ALA CA C 383 53.398 52.241 1.157 1
1 201 . 18 1 1 A 21 21 ALA CB C 383 18.808 19.676 -0.868 1
1 202 . 18 1 1 A 21 21 ALA N N 383 128.449 129.290 -0.841 1
1 203 . 18 1 1 A 22 22 ASN H H 384 8.261 8.014 0.247 1
1 204 . 18 1 1 A 22 22 ASN HA H 384 4.944 5.019 -0.075 1
1 209 . 18 1 1 A 22 22 ASN CA C 384 52.140 52.947 -0.807 1
1 210 . 18 1 1 A 22 22 ASN CB C 384 38.940 39.580 -0.640 1
1 211 . 18 1 1 A 22 22 ASN N N 384 115.516 115.571 -0.055 1
1 213 . 18 1 1 A 23 23 CYS H H 385 7.174 7.642 -0.468 1
1 214 . 18 1 1 A 23 23 CYS HA H 385 3.736 3.966 -0.230 1
1 217 . 18 1 1 A 23 23 CYS CA C 385 61.867 59.850 2.017 1
1 218 . 18 1 1 A 23 23 CYS CB C 385 29.434 28.534 0.900 1
1 219 . 18 1 1 A 23 23 CYS N N 385 121.580 120.425 1.155 1
1 220 . 18 1 1 A 24 24 TYR H H 386 7.680 7.861 -0.181 1
1 221 . 18 1 1 A 24 24 TYR HA H 386 4.858 4.642 0.216 1
1 228 . 18 1 1 A 24 24 TYR CA C 386 56.348 57.331 -0.983 1
1 229 . 18 1 1 A 24 24 TYR CB C 386 38.216 39.758 -1.542 1
1 234 . 18 1 1 A 24 24 TYR N N 386 126.676 122.458 4.218 1
1 235 . 18 1 1 A 25 25 ARG H H 387 7.988 6.327 1.661 1
1 236 . 18 1 1 A 25 25 ARG HA H 387 4.054 4.226 -0.172 1
1 243 . 18 1 1 A 25 25 ARG CA C 387 56.282 55.862 0.420 1
1 244 . 18 1 1 A 25 25 ARG CB C 387 29.894 30.319 -0.425 1
1 247 . 18 1 1 A 25 25 ARG N N 387 123.491 119.474 4.017 1
1 248 . 18 1 1 A 26 26 LYS H H 388 8.951 8.762 0.189 1
1 249 . 18 1 1 A 26 26 LYS HA H 388 4.635 4.603 0.032 1
1 258 . 18 1 1 A 26 26 LYS CA C 388 55.605 55.263 0.342 1
1 259 . 18 1 1 A 26 26 LYS CB C 388 34.387 32.368 2.019 1
1 263 . 18 1 1 A 26 26 LYS N N 388 118.569 117.601 0.968 1
1 264 . 18 1 1 A 27 27 ASN H H 389 8.400 7.787 0.613 1
1 265 . 18 1 1 A 27 27 ASN HA H 389 4.950 5.168 -0.218 1
1 270 . 18 1 1 A 27 27 ASN CA C 389 51.827 49.920 1.907 1
1 271 . 18 1 1 A 27 27 ASN CB C 389 39.171 39.416 -0.245 1
1 272 . 18 1 1 A 27 27 ASN N N 389 122.702 119.331 3.371 1
1 274 . 18 1 1 A 28 28 PRO HA H 390 4.595 4.631 -0.036 1
1 281 . 18 1 1 A 28 28 PRO CA C 390 65.632 66.193 -0.561 1
1 282 . 18 1 1 A 28 28 PRO CB C 390 32.574 31.530 1.044 1
1 285 . 18 1 1 A 29 29 VAL H H 391 8.337 7.799 0.538 1
1 286 . 18 1 1 A 29 29 VAL HA H 391 3.818 4.114 -0.296 1
1 294 . 18 1 1 A 29 29 VAL CA C 391 65.608 65.524 0.084 1
1 295 . 18 1 1 A 29 29 VAL CB C 391 31.546 31.566 -0.020 1
1 298 . 18 1 1 A 29 29 VAL N N 391 117.431 115.750 1.681 1
1 299 . 18 1 1 A 30 30 HIS H H 392 8.037 8.135 -0.098 1
1 300 . 18 1 1 A 30 30 HIS HA H 392 4.565 4.090 0.475 1
1 305 . 18 1 1 A 30 30 HIS CA C 392 60.297 59.077 1.220 1
1 306 . 18 1 1 A 30 30 HIS CB C 392 27.700 29.494 -1.794 1
1 309 . 18 1 1 A 30 30 HIS N N 392 120.267 119.435 0.832 1
1 310 . 18 1 1 A 31 31 PHE H H 393 7.059 8.663 -1.604 1
1 311 . 18 1 1 A 31 31 PHE HA H 393 4.465 4.366 0.099 1
1 319 . 18 1 1 A 31 31 PHE CA C 393 59.951 61.635 -1.684 1
1 320 . 18 1 1 A 31 31 PHE CB C 393 38.577 38.363 0.214 1
1 326 . 18 1 1 A 31 31 PHE N N 393 114.802 117.757 -2.955 1
1 327 . 18 1 1 A 32 32 GLN H H 394 7.671 7.951 -0.280 1
1 328 . 18 1 1 A 32 32 GLN HA H 394 4.261 4.283 -0.022 1
1 335 . 18 1 1 A 32 32 GLN CA C 394 57.393 58.700 -1.307 1
1 336 . 18 1 1 A 32 32 GLN CB C 394 28.710 28.226 0.484 1
1 338 . 18 1 1 A 32 32 GLN N N 394 117.129 119.406 -2.277 1
1 340 . 18 1 1 A 33 33 HIS H H 395 7.581 7.605 -0.024 1
1 341 . 18 1 1 A 33 33 HIS HA H 395 4.498 4.118 0.380 1
1 346 . 18 1 1 A 33 33 HIS CA C 395 56.467 58.138 -1.671 1
1 347 . 18 1 1 A 33 33 HIS CB C 395 31.398 30.469 0.929 1
1 350 . 18 1 1 A 33 33 HIS N N 395 115.481 116.245 -0.764 1
1 351 . 18 1 1 A 34 34 PHE H H 396 8.044 7.521 0.523 1
1 352 . 18 1 1 A 34 34 PHE HA H 396 5.398 5.232 0.166 1
1 360 . 18 1 1 A 34 34 PHE CA C 396 56.318 56.324 -0.006 1
1 361 . 18 1 1 A 34 34 PHE CB C 396 41.617 42.687 -1.070 1
1 367 . 18 1 1 A 34 34 PHE N N 396 117.547 115.714 1.833 1
1 368 . 18 1 1 A 35 35 SER H H 397 8.603 9.656 -1.053 1
1 369 . 18 1 1 A 35 35 SER HA H 397 4.769 5.145 -0.376 1
1 372 . 18 1 1 A 35 35 SER CA C 397 56.350 57.987 -1.637 1
1 373 . 18 1 1 A 35 35 SER CB C 397 65.912 64.743 1.169 1
1 374 . 18 1 1 A 35 35 SER N N 397 114.732 118.691 -3.959 1
1 375 . 18 1 1 A 36 36 HIS H H 398 9.538 8.988 0.550 1
1 376 . 18 1 1 A 36 36 HIS HA H 398 4.572 5.218 -0.646 1
1 381 . 18 1 1 A 36 36 HIS CA C 398 56.432 53.950 2.482 1
1 382 . 18 1 1 A 36 36 HIS CB C 398 29.935 33.216 -3.281 1
1 385 . 18 1 1 A 36 36 HIS N N 398 120.612 120.920 -0.308 1
1 386 . 18 1 1 A 37 37 PRO HA H 399 3.457 2.957 0.500 1
1 393 . 18 1 1 A 37 37 PRO CA C 399 64.278 63.066 1.212 1
1 394 . 18 1 1 A 37 37 PRO CB C 399 30.979 31.005 -0.026 1
1 397 . 18 1 1 A 38 38 GLY H H 400 8.832 8.633 0.199 1
1 398 . 18 1 1 A 38 38 GLY HA2 H 400 3.593 3.785 -0.192 1
1 399 . 18 1 1 A 38 38 GLY HA3 H 400 4.522 3.785 0.737 1
1 400 . 18 1 1 A 38 38 GLY CA C 400 44.843 45.059 -0.216 1
1 401 . 18 1 1 A 38 38 GLY N N 400 115.162 112.034 3.128 1
1 402 . 18 1 1 A 39 39 ASP H H 401 8.505 7.460 1.045 1
1 403 . 18 1 1 A 39 39 ASP HA H 401 4.938 4.888 0.050 1
1 406 . 18 1 1 A 39 39 ASP CA C 401 54.320 53.025 1.295 1
1 407 . 18 1 1 A 39 39 ASP CB C 401 41.893 43.007 -1.114 1
1 408 . 18 1 1 A 39 39 ASP N N 401 121.905 120.828 1.077 1
1 409 . 18 1 1 A 40 40 SER H H 402 9.378 9.106 0.272 1
1 410 . 18 1 1 A 40 40 SER HA H 402 4.281 4.181 0.100 1
1 413 . 18 1 1 A 40 40 SER CA C 402 61.078 61.219 -0.141 1
1 414 . 18 1 1 A 40 40 SER CB C 402 62.829 62.991 -0.162 1
1 415 . 18 1 1 A 40 40 SER N N 402 119.493 117.564 1.929 1
1 416 . 18 1 1 A 41 41 ASP H H 403 8.924 7.876 1.048 1
1 417 . 18 1 1 A 41 41 ASP HA H 403 4.697 4.684 0.013 1
1 420 . 18 1 1 A 41 41 ASP CA C 403 52.287 54.715 -2.428 1
1 421 . 18 1 1 A 41 41 ASP CB C 403 39.077 41.294 -2.217 1
1 422 . 18 1 1 A 41 41 ASP N N 403 116.599 118.016 -1.417 1
1 423 . 18 1 1 A 42 42 TYR H H 404 7.427 7.617 -0.190 1
1 424 . 18 1 1 A 42 42 TYR HA H 404 4.452 4.307 0.145 1
1 431 . 18 1 1 A 42 42 TYR CA C 404 59.218 59.947 -0.729 1
1 432 . 18 1 1 A 42 42 TYR CB C 404 39.543 38.964 0.579 1
1 437 . 18 1 1 A 42 42 TYR N N 404 122.560 123.089 -0.529 1
1 438 . 18 1 1 A 43 43 GLY H H 405 7.715 8.393 -0.678 1
1 439 . 18 1 1 A 43 43 GLY HA2 H 405 3.743 4.024 -0.281 1
1 440 . 18 1 1 A 43 43 GLY HA3 H 405 3.704 4.132 -0.428 1
1 441 . 18 1 1 A 43 43 GLY CA C 405 45.100 45.407 -0.307 1
1 442 . 18 1 1 A 43 43 GLY N N 405 114.997 113.171 1.826 1
1 443 . 18 1 1 A 44 44 GLY H H 406 7.088 8.029 -0.941 1
1 444 . 18 1 1 A 44 44 GLY HA2 H 406 3.887 3.903 -0.016 1
1 445 . 18 1 1 A 44 44 GLY HA3 H 406 3.887 3.924 -0.037 1
1 446 . 18 1 1 A 44 44 GLY CA C 406 45.011 45.853 -0.842 1
1 447 . 18 1 1 A 44 44 GLY N N 406 107.744 109.929 -2.185 1
1 448 . 18 1 1 A 45 45 VAL H H 407 8.064 7.497 0.567 1
1 449 . 18 1 1 A 45 45 VAL HA H 407 4.147 4.377 -0.230 1
1 457 . 18 1 1 A 45 45 VAL CA C 407 62.222 60.986 1.236 1
1 458 . 18 1 1 A 45 45 VAL CB C 407 32.899 31.834 1.065 1
1 461 . 18 1 1 A 45 45 VAL N N 407 119.029 119.586 -0.557 1
1 462 . 18 1 1 A 46 46 GLN H H 408 8.506 8.387 0.119 1
1 463 . 18 1 1 A 46 46 GLN HA H 408 4.433 4.837 -0.404 1
1 470 . 18 1 1 A 46 46 GLN CA C 408 55.631 54.656 0.975 1
1 471 . 18 1 1 A 46 46 GLN CB C 408 29.682 29.799 -0.117 1
1 473 . 18 1 1 A 46 46 GLN N N 408 124.737 126.825 -2.088 1
1 475 . 18 1 1 A 47 47 ILE H H 409 8.330 8.819 -0.489 1
1 476 . 18 1 1 A 47 47 ILE HA H 409 4.237 4.433 -0.196 1
1 486 . 18 1 1 A 47 47 ILE CA C 409 60.885 60.627 0.258 1
1 487 . 18 1 1 A 47 47 ILE CB C 409 38.690 36.129 2.561 1
1 491 . 18 1 1 A 47 47 ILE N N 409 123.582 126.197 -2.615 1
1 492 . 18 1 1 A 48 48 VAL H H 410 8.298 8.627 -0.329 1
1 493 . 18 1 1 A 48 48 VAL HA H 410 4.183 4.421 -0.238 1
1 501 . 18 1 1 A 48 48 VAL CA C 410 62.351 60.929 1.422 1
1 502 . 18 1 1 A 48 48 VAL CB C 410 32.841 32.129 0.712 1
1 505 . 18 1 1 A 48 48 VAL N N 410 125.073 127.799 -2.726 1
1 506 . 18 1 1 A 49 49 GLY H H 411 8.609 8.529 0.080 1
1 507 . 18 1 1 A 49 49 GLY HA2 H 411 4.032 3.985 0.047 1
1 508 . 18 1 1 A 49 49 GLY HA3 H 411 4.008 3.987 0.021 1
1 509 . 18 1 1 A 49 49 GLY CA C 411 45.281 46.394 -1.113 1
1 510 . 18 1 1 A 49 49 GLY N N 411 113.133 115.487 -2.354 1
1 511 . 18 1 1 A 50 50 GLN H H 412 8.317 8.250 0.067 1
1 512 . 18 1 1 A 50 50 GLN HA H 412 4.403 4.069 0.334 1
1 519 . 18 1 1 A 50 50 GLN CA C 412 55.872 58.988 -3.116 1
1 520 . 18 1 1 A 50 50 GLN CB C 412 29.678 28.695 0.983 1
1 522 . 18 1 1 A 50 50 GLN N N 412 119.972 118.293 1.679 1
1 524 . 18 1 1 A 51 51 ASP H H 413 8.533 7.966 0.567 1
1 525 . 18 1 1 A 51 51 ASP HA H 413 4.646 4.829 -0.183 1
1 528 . 18 1 1 A 51 51 ASP CA C 413 54.459 53.238 1.221 1
1 529 . 18 1 1 A 51 51 ASP CB C 413 41.215 41.518 -0.303 1
1 530 . 18 1 1 A 51 51 ASP N N 413 121.378 116.783 4.595 1
1 531 . 18 1 1 A 52 52 GLU H H 414 8.457 8.121 0.336 1
1 532 . 18 1 1 A 52 52 GLU HA H 414 4.392 4.008 0.384 1
1 537 . 18 1 1 A 52 52 GLU CA C 414 56.700 57.419 -0.719 1
1 538 . 18 1 1 A 52 52 GLU CB C 414 30.238 28.646 1.592 1
1 540 . 18 1 1 A 52 52 GLU N N 414 121.491 119.439 2.052 1
1 541 . 18 1 1 A 53 53 THR H H 415 8.263 7.874 0.389 1
1 542 . 18 1 1 A 53 53 THR HA H 415 4.306 4.590 -0.284 1
1 547 . 18 1 1 A 53 53 THR CA C 415 62.113 60.750 1.363 1
1 548 . 18 1 1 A 53 53 THR CB C 415 69.912 69.325 0.587 1
1 550 . 18 1 1 A 53 53 THR N N 415 114.960 113.169 1.791 1
1 551 . 18 1 1 A 54 54 ASP H H 416 8.279 8.429 -0.150 1
1 552 . 18 1 1 A 54 54 ASP HA H 416 4.661 4.933 -0.272 1
1 555 . 18 1 1 A 54 54 ASP CA C 416 53.775 53.855 -0.080 1
1 556 . 18 1 1 A 54 54 ASP CB C 416 41.188 41.545 -0.357 1
1 557 . 18 1 1 A 54 54 ASP N N 416 123.335 126.105 -2.770 1
1 1 . 19 1 1 A 2 2 PRO HA H 364 4.519 4.733 -0.214 1
1 8 . 19 1 1 A 2 2 PRO CA C 364 63.238 62.716 0.522 1
1 9 . 19 1 1 A 2 2 PRO CB C 364 32.338 31.708 0.630 1
1 12 . 19 1 1 A 3 3 LEU H H 365 8.557 8.752 -0.195 1
1 13 . 19 1 1 A 3 3 LEU HA H 365 4.406 5.045 -0.639 1
1 23 . 19 1 1 A 3 3 LEU CA C 365 55.436 53.779 1.657 1
1 24 . 19 1 1 A 3 3 LEU CB C 365 42.304 44.837 -2.533 1
1 28 . 19 1 1 A 3 3 LEU N N 365 122.297 125.020 -2.723 1
1 29 . 19 1 1 A 4 4 GLY H H 366 8.443 8.273 0.170 1
1 30 . 19 1 1 A 4 4 GLY HA2 H 366 4.040 4.086 -0.046 1
1 31 . 19 1 1 A 4 4 GLY HA3 H 366 4.056 4.090 -0.034 1
1 32 . 19 1 1 A 4 4 GLY CA C 366 45.361 44.366 0.995 1
1 33 . 19 1 1 A 4 4 GLY N N 366 110.040 109.672 0.368 1
1 34 . 19 1 1 A 5 5 SER H H 367 8.374 8.397 -0.023 1
1 35 . 19 1 1 A 5 5 SER HA H 367 4.521 5.372 -0.851 1
1 38 . 19 1 1 A 5 5 SER CA C 367 58.573 56.597 1.976 1
1 39 . 19 1 1 A 5 5 SER CB C 367 64.058 65.479 -1.421 1
1 40 . 19 1 1 A 5 5 SER N N 367 116.007 116.562 -0.555 1
1 41 . 19 1 1 A 6 6 GLY H H 368 8.639 8.638 0.001 1
1 42 . 19 1 1 A 6 6 GLY HA2 H 368 4.095 4.084 0.011 1
1 43 . 19 1 1 A 6 6 GLY HA3 H 368 4.067 4.098 -0.031 1
1 44 . 19 1 1 A 6 6 GLY CA C 368 45.494 44.261 1.233 1
1 45 . 19 1 1 A 6 6 GLY N N 368 111.362 110.987 0.375 1
1 46 . 19 1 1 A 7 7 SER H H 369 8.313 8.403 -0.090 1
1 47 . 19 1 1 A 7 7 SER HA H 369 4.516 4.582 -0.066 1
1 50 . 19 1 1 A 7 7 SER CA C 369 58.583 59.876 -1.293 1
1 51 . 19 1 1 A 7 7 SER CB C 369 63.973 64.834 -0.861 1
1 52 . 19 1 1 A 7 7 SER N N 369 115.885 115.605 0.280 1
1 53 . 19 1 1 A 8 8 GLU H H 370 8.630 8.017 0.613 1
1 54 . 19 1 1 A 8 8 GLU HA H 370 4.330 4.780 -0.450 1
1 59 . 19 1 1 A 8 8 GLU CA C 370 57.138 54.220 2.918 1
1 60 . 19 1 1 A 8 8 GLU CB C 370 29.984 32.367 -2.383 1
1 62 . 19 1 1 A 8 8 GLU N N 370 122.682 119.851 2.831 1
1 63 . 19 1 1 A 9 9 GLY H H 371 8.394 8.618 -0.224 1
1 64 . 19 1 1 A 9 9 GLY HA2 H 371 3.976 3.802 0.174 1
1 65 . 19 1 1 A 9 9 GLY HA3 H 371 3.976 3.829 0.147 1
1 66 . 19 1 1 A 9 9 GLY CA C 371 45.469 47.382 -1.913 1
1 67 . 19 1 1 A 9 9 GLY N N 371 109.245 110.615 -1.370 1
1 68 . 19 1 1 A 10 10 ASN H H 372 8.283 7.831 0.452 1
1 69 . 19 1 1 A 10 10 ASN HA H 372 4.732 5.117 -0.385 1
1 74 . 19 1 1 A 10 10 ASN CA C 372 53.263 52.217 1.046 1
1 75 . 19 1 1 A 10 10 ASN CB C 372 38.961 39.430 -0.469 1
1 76 . 19 1 1 A 10 10 ASN N N 372 118.662 115.282 3.380 1
1 78 . 19 1 1 A 11 11 LYS H H 373 8.264 8.122 0.142 1
1 79 . 19 1 1 A 11 11 LYS HA H 373 4.360 3.752 0.608 1
1 88 . 19 1 1 A 11 11 LYS CA C 373 56.413 57.182 -0.769 1
1 89 . 19 1 1 A 11 11 LYS CB C 373 33.054 30.658 2.396 1
1 93 . 19 1 1 A 11 11 LYS N N 373 121.729 115.449 6.280 1
1 94 . 19 1 1 A 12 12 VAL H H 374 8.114 7.786 0.328 1
1 95 . 19 1 1 A 12 12 VAL HA H 374 4.086 4.761 -0.675 1
1 103 . 19 1 1 A 12 12 VAL CA C 374 62.169 59.470 2.699 1
1 104 . 19 1 1 A 12 12 VAL CB C 374 32.862 35.825 -2.963 1
1 107 . 19 1 1 A 12 12 VAL N N 374 121.704 119.100 2.604 1
1 108 . 19 1 1 A 13 13 LYS H H 375 8.415 8.300 0.115 1
1 109 . 19 1 1 A 13 13 LYS HA H 375 4.383 4.303 0.080 1
1 118 . 19 1 1 A 13 13 LYS CA C 375 55.989 55.754 0.235 1
1 119 . 19 1 1 A 13 13 LYS CB C 375 33.159 31.413 1.746 1
1 123 . 19 1 1 A 13 13 LYS N N 375 126.419 127.083 -0.664 1
1 124 . 19 1 1 A 14 14 ARG H H 376 8.753 8.301 0.452 1
1 125 . 19 1 1 A 14 14 ARG HA H 376 4.363 4.291 0.072 1
1 132 . 19 1 1 A 14 14 ARG CA C 376 56.293 56.807 -0.514 1
1 133 . 19 1 1 A 14 14 ARG CB C 376 32.331 30.549 1.782 1
1 136 . 19 1 1 A 14 14 ARG N N 376 123.397 126.793 -3.396 1
1 137 . 19 1 1 A 15 15 THR H H 377 8.081 8.221 -0.140 1
1 138 . 19 1 1 A 15 15 THR HA H 377 4.398 4.380 0.018 1
1 143 . 19 1 1 A 15 15 THR CA C 377 61.533 62.696 -1.163 1
1 144 . 19 1 1 A 15 15 THR CB C 377 70.409 69.708 0.701 1
1 146 . 19 1 1 A 15 15 THR N N 377 117.600 117.881 -0.281 1
1 147 . 19 1 1 A 16 16 SER H H 378 8.614 8.422 0.192 1
1 148 . 19 1 1 A 16 16 SER HA H 378 4.853 4.447 0.406 1
1 151 . 19 1 1 A 16 16 SER CA C 378 59.098 58.762 0.336 1
1 152 . 19 1 1 A 16 16 SER CB C 378 63.763 63.470 0.293 1
1 153 . 19 1 1 A 16 16 SER N N 378 121.120 121.626 -0.506 1
1 154 . 19 1 1 A 17 17 CYS H H 379 9.252 8.255 0.997 1
1 155 . 19 1 1 A 17 17 CYS HA H 379 3.994 4.523 -0.529 1
1 158 . 19 1 1 A 17 17 CYS CA C 379 60.962 59.269 1.693 1
1 159 . 19 1 1 A 17 17 CYS CB C 379 29.581 28.588 0.993 1
1 160 . 19 1 1 A 17 17 CYS N N 379 127.790 124.282 3.508 1
1 161 . 19 1 1 A 18 18 MET H H 380 8.831 8.436 0.395 1
1 162 . 19 1 1 A 18 18 MET HA H 380 4.212 4.002 0.210 1
1 170 . 19 1 1 A 18 18 MET CA C 380 58.209 57.689 0.520 1
1 171 . 19 1 1 A 18 18 MET CB C 380 31.936 31.044 0.892 1
1 174 . 19 1 1 A 18 18 MET N N 380 130.017 125.463 4.554 1
1 175 . 19 1 1 A 19 19 TYR H H 381 8.701 7.591 1.110 1
1 176 . 19 1 1 A 19 19 TYR HA H 381 4.579 4.620 -0.041 1
1 183 . 19 1 1 A 19 19 TYR CA C 381 58.762 58.354 0.408 1
1 184 . 19 1 1 A 19 19 TYR CB C 381 37.595 38.789 -1.194 1
1 189 . 19 1 1 A 19 19 TYR N N 381 120.369 117.083 3.286 1
1 190 . 19 1 1 A 20 20 GLY H H 382 7.760 8.167 -0.407 1
1 191 . 19 1 1 A 20 20 GLY HA2 H 382 3.710 3.997 -0.287 1
1 192 . 19 1 1 A 20 20 GLY HA3 H 382 4.085 4.094 -0.009 1
1 193 . 19 1 1 A 20 20 GLY CA C 382 47.627 47.481 0.146 1
1 194 . 19 1 1 A 20 20 GLY N N 382 107.481 108.435 -0.954 1
1 195 . 19 1 1 A 21 21 ALA H H 383 9.248 8.346 0.902 1
1 196 . 19 1 1 A 21 21 ALA HA H 383 4.354 4.392 -0.038 1
1 200 . 19 1 1 A 21 21 ALA CA C 383 53.398 52.099 1.299 1
1 201 . 19 1 1 A 21 21 ALA CB C 383 18.808 19.697 -0.889 1
1 202 . 19 1 1 A 21 21 ALA N N 383 128.449 129.273 -0.824 1
1 203 . 19 1 1 A 22 22 ASN H H 384 8.261 8.052 0.209 1
1 204 . 19 1 1 A 22 22 ASN HA H 384 4.944 5.034 -0.090 1
1 209 . 19 1 1 A 22 22 ASN CA C 384 52.140 52.897 -0.757 1
1 210 . 19 1 1 A 22 22 ASN CB C 384 38.940 39.532 -0.592 1
1 211 . 19 1 1 A 22 22 ASN N N 384 115.516 115.593 -0.077 1
1 213 . 19 1 1 A 23 23 CYS H H 385 7.174 7.604 -0.430 1
1 214 . 19 1 1 A 23 23 CYS HA H 385 3.736 3.860 -0.124 1
1 217 . 19 1 1 A 23 23 CYS CA C 385 61.867 59.970 1.897 1
1 218 . 19 1 1 A 23 23 CYS CB C 385 29.434 28.292 1.142 1
1 219 . 19 1 1 A 23 23 CYS N N 385 121.580 120.420 1.160 1
1 220 . 19 1 1 A 24 24 TYR H H 386 7.680 7.815 -0.135 1
1 221 . 19 1 1 A 24 24 TYR HA H 386 4.858 4.638 0.220 1
1 228 . 19 1 1 A 24 24 TYR CA C 386 56.348 57.398 -1.050 1
1 229 . 19 1 1 A 24 24 TYR CB C 386 38.216 39.738 -1.522 1
1 234 . 19 1 1 A 24 24 TYR N N 386 126.676 122.421 4.255 1
1 235 . 19 1 1 A 25 25 ARG H H 387 7.988 6.410 1.578 1
1 236 . 19 1 1 A 25 25 ARG HA H 387 4.054 4.301 -0.247 1
1 243 . 19 1 1 A 25 25 ARG CA C 387 56.282 55.616 0.666 1
1 244 . 19 1 1 A 25 25 ARG CB C 387 29.894 30.870 -0.976 1
1 247 . 19 1 1 A 25 25 ARG N N 387 123.491 118.551 4.940 1
1 248 . 19 1 1 A 26 26 LYS H H 388 8.951 8.823 0.128 1
1 249 . 19 1 1 A 26 26 LYS HA H 388 4.635 4.788 -0.153 1
1 258 . 19 1 1 A 26 26 LYS CA C 388 55.605 54.677 0.928 1
1 259 . 19 1 1 A 26 26 LYS CB C 388 34.387 35.045 -0.658 1
1 263 . 19 1 1 A 26 26 LYS N N 388 118.569 118.245 0.324 1
1 264 . 19 1 1 A 27 27 ASN H H 389 8.400 8.764 -0.364 1
1 265 . 19 1 1 A 27 27 ASN HA H 389 4.950 5.216 -0.266 1
1 270 . 19 1 1 A 27 27 ASN CA C 389 51.827 50.019 1.808 1
1 271 . 19 1 1 A 27 27 ASN CB C 389 39.171 39.098 0.073 1
1 272 . 19 1 1 A 27 27 ASN N N 389 122.702 122.933 -0.231 1
1 274 . 19 1 1 A 28 28 PRO HA H 390 4.595 4.574 0.021 1
1 281 . 19 1 1 A 28 28 PRO CA C 390 65.632 64.800 0.832 1
1 282 . 19 1 1 A 28 28 PRO CB C 390 32.574 32.133 0.441 1
1 285 . 19 1 1 A 29 29 VAL H H 391 8.337 7.691 0.646 1
1 286 . 19 1 1 A 29 29 VAL HA H 391 3.818 4.410 -0.592 1
1 294 . 19 1 1 A 29 29 VAL CA C 391 65.608 64.342 1.266 1
1 295 . 19 1 1 A 29 29 VAL CB C 391 31.546 31.879 -0.333 1
1 298 . 19 1 1 A 29 29 VAL N N 391 117.431 116.126 1.305 1
1 299 . 19 1 1 A 30 30 HIS H H 392 8.037 8.143 -0.106 1
1 300 . 19 1 1 A 30 30 HIS HA H 392 4.565 4.160 0.405 1
1 305 . 19 1 1 A 30 30 HIS CA C 392 60.297 59.132 1.165 1
1 306 . 19 1 1 A 30 30 HIS CB C 392 27.700 29.726 -2.026 1
1 309 . 19 1 1 A 30 30 HIS N N 392 120.267 120.476 -0.209 1
1 310 . 19 1 1 A 31 31 PHE H H 393 7.059 8.210 -1.151 1
1 311 . 19 1 1 A 31 31 PHE HA H 393 4.465 4.472 -0.007 1
1 319 . 19 1 1 A 31 31 PHE CA C 393 59.951 61.740 -1.789 1
1 320 . 19 1 1 A 31 31 PHE CB C 393 38.577 38.435 0.142 1
1 326 . 19 1 1 A 31 31 PHE N N 393 114.802 117.965 -3.163 1
1 327 . 19 1 1 A 32 32 GLN H H 394 7.671 8.000 -0.329 1
1 328 . 19 1 1 A 32 32 GLN HA H 394 4.261 4.254 0.007 1
1 335 . 19 1 1 A 32 32 GLN CA C 394 57.393 58.804 -1.411 1
1 336 . 19 1 1 A 32 32 GLN CB C 394 28.710 28.379 0.331 1
1 338 . 19 1 1 A 32 32 GLN N N 394 117.129 119.375 -2.246 1
1 340 . 19 1 1 A 33 33 HIS H H 395 7.581 7.726 -0.145 1
1 341 . 19 1 1 A 33 33 HIS HA H 395 4.498 4.029 0.469 1
1 346 . 19 1 1 A 33 33 HIS CA C 395 56.467 58.059 -1.592 1
1 347 . 19 1 1 A 33 33 HIS CB C 395 31.398 29.733 1.665 1
1 350 . 19 1 1 A 33 33 HIS N N 395 115.481 116.182 -0.701 1
1 351 . 19 1 1 A 34 34 PHE H H 396 8.044 7.330 0.714 1
1 352 . 19 1 1 A 34 34 PHE HA H 396 5.398 5.170 0.228 1
1 360 . 19 1 1 A 34 34 PHE CA C 396 56.318 56.319 -0.001 1
1 361 . 19 1 1 A 34 34 PHE CB C 396 41.617 42.782 -1.165 1
1 367 . 19 1 1 A 34 34 PHE N N 396 117.547 115.711 1.836 1
1 368 . 19 1 1 A 35 35 SER H H 397 8.603 9.488 -0.885 1
1 369 . 19 1 1 A 35 35 SER HA H 397 4.769 4.958 -0.189 1
1 372 . 19 1 1 A 35 35 SER CA C 397 56.350 58.047 -1.697 1
1 373 . 19 1 1 A 35 35 SER CB C 397 65.912 64.525 1.387 1
1 374 . 19 1 1 A 35 35 SER N N 397 114.732 118.698 -3.966 1
1 375 . 19 1 1 A 36 36 HIS H H 398 9.538 8.852 0.686 1
1 376 . 19 1 1 A 36 36 HIS HA H 398 4.572 5.125 -0.553 1
1 381 . 19 1 1 A 36 36 HIS CA C 398 56.432 53.859 2.573 1
1 382 . 19 1 1 A 36 36 HIS CB C 398 29.935 33.036 -3.101 1
1 385 . 19 1 1 A 36 36 HIS N N 398 120.612 119.332 1.280 1
1 386 . 19 1 1 A 37 37 PRO HA H 399 3.457 3.300 0.157 1
1 393 . 19 1 1 A 37 37 PRO CA C 399 64.278 63.166 1.112 1
1 394 . 19 1 1 A 37 37 PRO CB C 399 30.979 31.022 -0.043 1
1 397 . 19 1 1 A 38 38 GLY H H 400 8.832 8.718 0.114 1
1 398 . 19 1 1 A 38 38 GLY HA2 H 400 3.593 3.776 -0.183 1
1 399 . 19 1 1 A 38 38 GLY HA3 H 400 4.522 3.782 0.740 1
1 400 . 19 1 1 A 38 38 GLY CA C 400 44.843 45.044 -0.201 1
1 401 . 19 1 1 A 38 38 GLY N N 400 115.162 112.319 2.843 1
1 402 . 19 1 1 A 39 39 ASP H H 401 8.505 7.464 1.041 1
1 403 . 19 1 1 A 39 39 ASP HA H 401 4.938 5.026 -0.088 1
1 406 . 19 1 1 A 39 39 ASP CA C 401 54.320 53.063 1.257 1
1 407 . 19 1 1 A 39 39 ASP CB C 401 41.893 43.011 -1.118 1
1 408 . 19 1 1 A 39 39 ASP N N 401 121.905 120.748 1.157 1
1 409 . 19 1 1 A 40 40 SER H H 402 9.378 9.078 0.300 1
1 410 . 19 1 1 A 40 40 SER HA H 402 4.281 4.144 0.137 1
1 413 . 19 1 1 A 40 40 SER CA C 402 61.078 61.149 -0.071 1
1 414 . 19 1 1 A 40 40 SER CB C 402 62.829 62.671 0.158 1
1 415 . 19 1 1 A 40 40 SER N N 402 119.493 118.291 1.202 1
1 416 . 19 1 1 A 41 41 ASP H H 403 8.924 7.858 1.066 1
1 417 . 19 1 1 A 41 41 ASP HA H 403 4.697 4.693 0.004 1
1 420 . 19 1 1 A 41 41 ASP CA C 403 52.287 54.395 -2.108 1
1 421 . 19 1 1 A 41 41 ASP CB C 403 39.077 41.234 -2.157 1
1 422 . 19 1 1 A 41 41 ASP N N 403 116.599 119.112 -2.513 1
1 423 . 19 1 1 A 42 42 TYR H H 404 7.427 7.522 -0.095 1
1 424 . 19 1 1 A 42 42 TYR HA H 404 4.452 4.371 0.081 1
1 431 . 19 1 1 A 42 42 TYR CA C 404 59.218 59.536 -0.318 1
1 432 . 19 1 1 A 42 42 TYR CB C 404 39.543 39.188 0.355 1
1 437 . 19 1 1 A 42 42 TYR N N 404 122.560 123.194 -0.634 1
1 438 . 19 1 1 A 43 43 GLY H H 405 7.715 8.458 -0.743 1
1 439 . 19 1 1 A 43 43 GLY HA2 H 405 3.743 3.697 0.046 1
1 440 . 19 1 1 A 43 43 GLY HA3 H 405 3.704 3.757 -0.053 1
1 441 . 19 1 1 A 43 43 GLY CA C 405 45.100 45.624 -0.524 1
1 442 . 19 1 1 A 43 43 GLY N N 405 114.997 113.344 1.653 1
1 443 . 19 1 1 A 44 44 GLY H H 406 7.088 6.475 0.613 1
1 444 . 19 1 1 A 44 44 GLY HA2 H 406 3.887 3.777 0.110 1
1 445 . 19 1 1 A 44 44 GLY HA3 H 406 3.887 3.907 -0.020 1
1 446 . 19 1 1 A 44 44 GLY CA C 406 45.011 44.245 0.766 1
1 447 . 19 1 1 A 44 44 GLY N N 406 107.744 105.439 2.305 1
1 448 . 19 1 1 A 45 45 VAL H H 407 8.064 8.210 -0.146 1
1 449 . 19 1 1 A 45 45 VAL HA H 407 4.147 4.642 -0.495 1
1 457 . 19 1 1 A 45 45 VAL CA C 407 62.222 61.818 0.404 1
1 458 . 19 1 1 A 45 45 VAL CB C 407 32.899 33.870 -0.971 1
1 461 . 19 1 1 A 45 45 VAL N N 407 119.029 121.991 -2.962 1
1 462 . 19 1 1 A 46 46 GLN H H 408 8.506 8.959 -0.453 1
1 463 . 19 1 1 A 46 46 GLN HA H 408 4.433 5.044 -0.611 1
1 470 . 19 1 1 A 46 46 GLN CA C 408 55.631 55.064 0.567 1
1 471 . 19 1 1 A 46 46 GLN CB C 408 29.682 29.187 0.495 1
1 473 . 19 1 1 A 46 46 GLN N N 408 124.737 123.800 0.937 1
1 475 . 19 1 1 A 47 47 ILE H H 409 8.330 8.759 -0.429 1
1 476 . 19 1 1 A 47 47 ILE HA H 409 4.237 4.490 -0.253 1
1 486 . 19 1 1 A 47 47 ILE CA C 409 60.885 60.574 0.311 1
1 487 . 19 1 1 A 47 47 ILE CB C 409 38.690 37.388 1.302 1
1 491 . 19 1 1 A 47 47 ILE N N 409 123.582 126.019 -2.437 1
1 492 . 19 1 1 A 48 48 VAL H H 410 8.298 8.627 -0.329 1
1 493 . 19 1 1 A 48 48 VAL HA H 410 4.183 4.399 -0.216 1
1 501 . 19 1 1 A 48 48 VAL CA C 410 62.351 60.949 1.402 1
1 502 . 19 1 1 A 48 48 VAL CB C 410 32.841 32.040 0.801 1
1 505 . 19 1 1 A 48 48 VAL N N 410 125.073 127.785 -2.712 1
1 506 . 19 1 1 A 49 49 GLY H H 411 8.609 8.459 0.150 1
1 507 . 19 1 1 A 49 49 GLY HA2 H 411 4.032 3.958 0.074 1
1 508 . 19 1 1 A 49 49 GLY HA3 H 411 4.008 3.959 0.049 1
1 509 . 19 1 1 A 49 49 GLY CA C 411 45.281 46.433 -1.152 1
1 510 . 19 1 1 A 49 49 GLY N N 411 113.133 115.712 -2.579 1
1 511 . 19 1 1 A 50 50 GLN H H 412 8.317 8.237 0.080 1
1 512 . 19 1 1 A 50 50 GLN HA H 412 4.403 4.047 0.356 1
1 519 . 19 1 1 A 50 50 GLN CA C 412 55.872 58.697 -2.825 1
1 520 . 19 1 1 A 50 50 GLN CB C 412 29.678 28.612 1.066 1
1 522 . 19 1 1 A 50 50 GLN N N 412 119.972 118.623 1.349 1
1 524 . 19 1 1 A 51 51 ASP H H 413 8.533 8.309 0.224 1
1 525 . 19 1 1 A 51 51 ASP HA H 413 4.646 4.808 -0.162 1
1 528 . 19 1 1 A 51 51 ASP CA C 413 54.459 53.319 1.140 1
1 529 . 19 1 1 A 51 51 ASP CB C 413 41.215 41.560 -0.345 1
1 530 . 19 1 1 A 51 51 ASP N N 413 121.378 117.092 4.286 1
1 531 . 19 1 1 A 52 52 GLU H H 414 8.457 7.772 0.685 1
1 532 . 19 1 1 A 52 52 GLU HA H 414 4.392 4.654 -0.262 1
1 537 . 19 1 1 A 52 52 GLU CA C 414 56.700 55.096 1.604 1
1 538 . 19 1 1 A 52 52 GLU CB C 414 30.238 29.870 0.368 1
1 540 . 19 1 1 A 52 52 GLU N N 414 121.491 121.637 -0.146 1
1 541 . 19 1 1 A 53 53 THR H H 415 8.263 7.992 0.271 1
1 542 . 19 1 1 A 53 53 THR HA H 415 4.306 4.607 -0.301 1
1 547 . 19 1 1 A 53 53 THR CA C 415 62.113 60.014 2.099 1
1 548 . 19 1 1 A 53 53 THR CB C 415 69.912 68.659 1.253 1
1 550 . 19 1 1 A 53 53 THR N N 415 114.960 114.923 0.037 1
1 551 . 19 1 1 A 54 54 ASP H H 416 8.279 8.805 -0.526 1
1 552 . 19 1 1 A 54 54 ASP HA H 416 4.661 4.912 -0.251 1
1 555 . 19 1 1 A 54 54 ASP CA C 416 53.775 52.851 0.924 1
1 556 . 19 1 1 A 54 54 ASP CB C 416 41.188 41.540 -0.352 1
1 557 . 19 1 1 A 54 54 ASP N N 416 123.335 123.995 -0.660 1
1 1 . 20 1 1 A 2 2 PRO HA H 364 4.519 4.816 -0.297 1
1 8 . 20 1 1 A 2 2 PRO CA C 364 63.238 62.422 0.816 1
1 9 . 20 1 1 A 2 2 PRO CB C 364 32.338 29.310 3.028 1
1 12 . 20 1 1 A 3 3 LEU H H 365 8.557 8.354 0.203 1
1 13 . 20 1 1 A 3 3 LEU HA H 365 4.406 4.747 -0.341 1
1 23 . 20 1 1 A 3 3 LEU CA C 365 55.436 53.700 1.736 1
1 24 . 20 1 1 A 3 3 LEU CB C 365 42.304 44.728 -2.424 1
1 28 . 20 1 1 A 3 3 LEU N N 365 122.297 124.522 -2.225 1
1 29 . 20 1 1 A 4 4 GLY H H 366 8.443 8.327 0.116 1
1 30 . 20 1 1 A 4 4 GLY HA2 H 366 4.040 4.006 0.034 1
1 31 . 20 1 1 A 4 4 GLY HA3 H 366 4.056 4.018 0.038 1
1 32 . 20 1 1 A 4 4 GLY CA C 366 45.361 45.504 -0.143 1
1 33 . 20 1 1 A 4 4 GLY N N 366 110.040 112.532 -2.492 1
1 34 . 20 1 1 A 5 5 SER H H 367 8.374 7.759 0.615 1
1 35 . 20 1 1 A 5 5 SER HA H 367 4.521 4.311 0.210 1
1 38 . 20 1 1 A 5 5 SER CA C 367 58.573 56.640 1.933 1
1 39 . 20 1 1 A 5 5 SER CB C 367 64.058 62.922 1.136 1
1 40 . 20 1 1 A 5 5 SER N N 367 116.007 115.172 0.835 1
1 41 . 20 1 1 A 6 6 GLY H H 368 8.639 8.321 0.318 1
1 42 . 20 1 1 A 6 6 GLY HA2 H 368 4.095 4.021 0.074 1
1 43 . 20 1 1 A 6 6 GLY HA3 H 368 4.067 4.041 0.026 1
1 44 . 20 1 1 A 6 6 GLY CA C 368 45.494 45.382 0.112 1
1 45 . 20 1 1 A 6 6 GLY N N 368 111.362 113.623 -2.261 1
1 46 . 20 1 1 A 7 7 SER H H 369 8.313 8.671 -0.358 1
1 47 . 20 1 1 A 7 7 SER HA H 369 4.516 5.191 -0.675 1
1 50 . 20 1 1 A 7 7 SER CA C 369 58.583 56.730 1.853 1
1 51 . 20 1 1 A 7 7 SER CB C 369 63.973 63.944 0.029 1
1 52 . 20 1 1 A 7 7 SER N N 369 115.885 116.658 -0.773 1
1 53 . 20 1 1 A 8 8 GLU H H 370 8.630 8.916 -0.286 1
1 54 . 20 1 1 A 8 8 GLU HA H 370 4.330 4.765 -0.435 1
1 59 . 20 1 1 A 8 8 GLU CA C 370 57.138 55.427 1.711 1
1 60 . 20 1 1 A 8 8 GLU CB C 370 29.984 30.366 -0.382 1
1 62 . 20 1 1 A 8 8 GLU N N 370 122.682 125.682 -3.000 1
1 63 . 20 1 1 A 9 9 GLY H H 371 8.394 8.616 -0.222 1
1 64 . 20 1 1 A 9 9 GLY HA2 H 371 3.976 4.238 -0.262 1
1 65 . 20 1 1 A 9 9 GLY HA3 H 371 3.976 4.253 -0.277 1
1 66 . 20 1 1 A 9 9 GLY CA C 371 45.469 45.768 -0.299 1
1 67 . 20 1 1 A 9 9 GLY N N 371 109.245 111.491 -2.246 1
1 68 . 20 1 1 A 10 10 ASN H H 372 8.283 7.930 0.353 1
1 69 . 20 1 1 A 10 10 ASN HA H 372 4.732 5.002 -0.270 1
1 74 . 20 1 1 A 10 10 ASN CA C 372 53.263 54.081 -0.818 1
1 75 . 20 1 1 A 10 10 ASN CB C 372 38.961 41.244 -2.283 1
1 76 . 20 1 1 A 10 10 ASN N N 372 118.662 116.434 2.228 1
1 78 . 20 1 1 A 11 11 LYS H H 373 8.264 7.929 0.335 1
1 79 . 20 1 1 A 11 11 LYS HA H 373 4.360 4.478 -0.118 1
1 88 . 20 1 1 A 11 11 LYS CA C 373 56.413 55.550 0.863 1
1 89 . 20 1 1 A 11 11 LYS CB C 373 33.054 32.543 0.511 1
1 93 . 20 1 1 A 11 11 LYS N N 373 121.729 118.856 2.873 1
1 94 . 20 1 1 A 12 12 VAL H H 374 8.114 7.921 0.193 1
1 95 . 20 1 1 A 12 12 VAL HA H 374 4.086 4.729 -0.643 1
1 103 . 20 1 1 A 12 12 VAL CA C 374 62.169 60.151 2.018 1
1 104 . 20 1 1 A 12 12 VAL CB C 374 32.862 36.128 -3.266 1
1 107 . 20 1 1 A 12 12 VAL N N 374 121.704 121.765 -0.061 1
1 108 . 20 1 1 A 13 13 LYS H H 375 8.415 8.412 0.003 1
1 109 . 20 1 1 A 13 13 LYS HA H 375 4.383 4.637 -0.254 1
1 118 . 20 1 1 A 13 13 LYS CA C 375 55.989 55.534 0.455 1
1 119 . 20 1 1 A 13 13 LYS CB C 375 33.159 32.591 0.568 1
1 123 . 20 1 1 A 13 13 LYS N N 375 126.419 124.520 1.899 1
1 124 . 20 1 1 A 14 14 ARG H H 376 8.753 8.438 0.315 1
1 125 . 20 1 1 A 14 14 ARG HA H 376 4.363 4.330 0.033 1
1 132 . 20 1 1 A 14 14 ARG CA C 376 56.293 56.428 -0.135 1
1 133 . 20 1 1 A 14 14 ARG CB C 376 32.331 30.571 1.760 1
1 136 . 20 1 1 A 14 14 ARG N N 376 123.397 124.745 -1.348 1
1 137 . 20 1 1 A 15 15 THR H H 377 8.081 8.362 -0.281 1
1 138 . 20 1 1 A 15 15 THR HA H 377 4.398 4.331 0.067 1
1 143 . 20 1 1 A 15 15 THR CA C 377 61.533 61.655 -0.122 1
1 144 . 20 1 1 A 15 15 THR CB C 377 70.409 69.789 0.620 1
1 146 . 20 1 1 A 15 15 THR N N 377 117.600 117.918 -0.318 1
1 147 . 20 1 1 A 16 16 SER H H 378 8.614 8.582 0.032 1
1 148 . 20 1 1 A 16 16 SER HA H 378 4.853 4.975 -0.122 1
1 151 . 20 1 1 A 16 16 SER CA C 378 59.098 56.822 2.276 1
1 152 . 20 1 1 A 16 16 SER CB C 378 63.763 64.545 -0.782 1
1 153 . 20 1 1 A 16 16 SER N N 378 121.120 119.539 1.581 1
1 154 . 20 1 1 A 17 17 CYS H H 379 9.252 8.620 0.632 1
1 155 . 20 1 1 A 17 17 CYS HA H 379 3.994 4.240 -0.246 1
1 158 . 20 1 1 A 17 17 CYS CA C 379 60.962 59.723 1.239 1
1 159 . 20 1 1 A 17 17 CYS CB C 379 29.581 28.899 0.682 1
1 160 . 20 1 1 A 17 17 CYS N N 379 127.790 125.687 2.103 1
1 161 . 20 1 1 A 18 18 MET H H 380 8.831 8.594 0.237 1
1 162 . 20 1 1 A 18 18 MET HA H 380 4.212 3.994 0.218 1
1 170 . 20 1 1 A 18 18 MET CA C 380 58.209 57.762 0.447 1
1 171 . 20 1 1 A 18 18 MET CB C 380 31.936 31.616 0.320 1
1 174 . 20 1 1 A 18 18 MET N N 380 130.017 125.358 4.659 1
1 175 . 20 1 1 A 19 19 TYR H H 381 8.701 7.479 1.222 1
1 176 . 20 1 1 A 19 19 TYR HA H 381 4.579 4.643 -0.064 1
1 183 . 20 1 1 A 19 19 TYR CA C 381 58.762 58.384 0.378 1
1 184 . 20 1 1 A 19 19 TYR CB C 381 37.595 38.830 -1.235 1
1 189 . 20 1 1 A 19 19 TYR N N 381 120.369 118.254 2.115 1
1 190 . 20 1 1 A 20 20 GLY H H 382 7.760 8.397 -0.637 1
1 191 . 20 1 1 A 20 20 GLY HA2 H 382 3.710 3.998 -0.288 1
1 192 . 20 1 1 A 20 20 GLY HA3 H 382 4.085 4.061 0.024 1
1 193 . 20 1 1 A 20 20 GLY CA C 382 47.627 47.482 0.145 1
1 194 . 20 1 1 A 20 20 GLY N N 382 107.481 108.888 -1.407 1
1 195 . 20 1 1 A 21 21 ALA H H 383 9.248 8.551 0.697 1
1 196 . 20 1 1 A 21 21 ALA HA H 383 4.354 4.379 -0.025 1
1 200 . 20 1 1 A 21 21 ALA CA C 383 53.398 52.364 1.034 1
1 201 . 20 1 1 A 21 21 ALA CB C 383 18.808 19.974 -1.166 1
1 202 . 20 1 1 A 21 21 ALA N N 383 128.449 129.265 -0.816 1
1 203 . 20 1 1 A 22 22 ASN H H 384 8.261 8.036 0.225 1
1 204 . 20 1 1 A 22 22 ASN HA H 384 4.944 5.003 -0.059 1
1 209 . 20 1 1 A 22 22 ASN CA C 384 52.140 53.060 -0.920 1
1 210 . 20 1 1 A 22 22 ASN CB C 384 38.940 39.642 -0.702 1
1 211 . 20 1 1 A 22 22 ASN N N 384 115.516 114.947 0.569 1
1 213 . 20 1 1 A 23 23 CYS H H 385 7.174 7.697 -0.523 1
1 214 . 20 1 1 A 23 23 CYS HA H 385 3.736 4.127 -0.391 1
1 217 . 20 1 1 A 23 23 CYS CA C 385 61.867 60.069 1.798 1
1 218 . 20 1 1 A 23 23 CYS CB C 385 29.434 28.549 0.885 1
1 219 . 20 1 1 A 23 23 CYS N N 385 121.580 120.449 1.131 1
1 220 . 20 1 1 A 24 24 TYR H H 386 7.680 8.056 -0.376 1
1 221 . 20 1 1 A 24 24 TYR HA H 386 4.858 4.637 0.221 1
1 228 . 20 1 1 A 24 24 TYR CA C 386 56.348 57.891 -1.543 1
1 229 . 20 1 1 A 24 24 TYR CB C 386 38.216 39.669 -1.453 1
1 234 . 20 1 1 A 24 24 TYR N N 386 126.676 123.494 3.182 1
1 235 . 20 1 1 A 25 25 ARG H H 387 7.988 6.227 1.761 1
1 236 . 20 1 1 A 25 25 ARG HA H 387 4.054 4.191 -0.137 1
1 243 . 20 1 1 A 25 25 ARG CA C 387 56.282 55.644 0.638 1
1 244 . 20 1 1 A 25 25 ARG CB C 387 29.894 30.610 -0.716 1
1 247 . 20 1 1 A 25 25 ARG N N 387 123.491 118.740 4.751 1
1 248 . 20 1 1 A 26 26 LYS H H 388 8.951 8.746 0.205 1
1 249 . 20 1 1 A 26 26 LYS HA H 388 4.635 4.807 -0.172 1
1 258 . 20 1 1 A 26 26 LYS CA C 388 55.605 54.850 0.755 1
1 259 . 20 1 1 A 26 26 LYS CB C 388 34.387 34.903 -0.516 1
1 263 . 20 1 1 A 26 26 LYS N N 388 118.569 117.785 0.784 1
1 264 . 20 1 1 A 27 27 ASN H H 389 8.400 8.761 -0.361 1
1 265 . 20 1 1 A 27 27 ASN HA H 389 4.950 5.187 -0.237 1
1 270 . 20 1 1 A 27 27 ASN CA C 389 51.827 50.194 1.633 1
1 271 . 20 1 1 A 27 27 ASN CB C 389 39.171 39.106 0.065 1
1 272 . 20 1 1 A 27 27 ASN N N 389 122.702 123.610 -0.908 1
1 274 . 20 1 1 A 28 28 PRO HA H 390 4.595 4.599 -0.004 1
1 281 . 20 1 1 A 28 28 PRO CA C 390 65.632 64.559 1.073 1
1 282 . 20 1 1 A 28 28 PRO CB C 390 32.574 32.044 0.530 1
1 285 . 20 1 1 A 29 29 VAL H H 391 8.337 7.833 0.504 1
1 286 . 20 1 1 A 29 29 VAL HA H 391 3.818 4.425 -0.607 1
1 294 . 20 1 1 A 29 29 VAL CA C 391 65.608 64.099 1.509 1
1 295 . 20 1 1 A 29 29 VAL CB C 391 31.546 32.088 -0.542 1
1 298 . 20 1 1 A 29 29 VAL N N 391 117.431 116.013 1.418 1
1 299 . 20 1 1 A 30 30 HIS H H 392 8.037 8.104 -0.067 1
1 300 . 20 1 1 A 30 30 HIS HA H 392 4.565 4.168 0.397 1
1 305 . 20 1 1 A 30 30 HIS CA C 392 60.297 59.124 1.173 1
1 306 . 20 1 1 A 30 30 HIS CB C 392 27.700 29.568 -1.868 1
1 309 . 20 1 1 A 30 30 HIS N N 392 120.267 120.490 -0.223 1
1 310 . 20 1 1 A 31 31 PHE H H 393 7.059 8.230 -1.171 1
1 311 . 20 1 1 A 31 31 PHE HA H 393 4.465 4.396 0.069 1
1 319 . 20 1 1 A 31 31 PHE CA C 393 59.951 61.785 -1.834 1
1 320 . 20 1 1 A 31 31 PHE CB C 393 38.577 38.475 0.102 1
1 326 . 20 1 1 A 31 31 PHE N N 393 114.802 117.995 -3.193 1
1 327 . 20 1 1 A 32 32 GLN H H 394 7.671 7.919 -0.248 1
1 328 . 20 1 1 A 32 32 GLN HA H 394 4.261 4.296 -0.035 1
1 335 . 20 1 1 A 32 32 GLN CA C 394 57.393 58.861 -1.468 1
1 336 . 20 1 1 A 32 32 GLN CB C 394 28.710 28.832 -0.122 1
1 338 . 20 1 1 A 32 32 GLN N N 394 117.129 119.075 -1.946 1
1 340 . 20 1 1 A 33 33 HIS H H 395 7.581 7.607 -0.026 1
1 341 . 20 1 1 A 33 33 HIS HA H 395 4.498 4.163 0.335 1
1 346 . 20 1 1 A 33 33 HIS CA C 395 56.467 58.772 -2.305 1
1 347 . 20 1 1 A 33 33 HIS CB C 395 31.398 30.665 0.733 1
1 350 . 20 1 1 A 33 33 HIS N N 395 115.481 115.734 -0.253 1
1 351 . 20 1 1 A 34 34 PHE H H 396 8.044 7.920 0.124 1
1 352 . 20 1 1 A 34 34 PHE HA H 396 5.398 5.096 0.302 1
1 360 . 20 1 1 A 34 34 PHE CA C 396 56.318 55.825 0.493 1
1 361 . 20 1 1 A 34 34 PHE CB C 396 41.617 42.044 -0.427 1
1 367 . 20 1 1 A 34 34 PHE N N 396 117.547 115.882 1.665 1
1 368 . 20 1 1 A 35 35 SER H H 397 8.603 9.540 -0.937 1
1 369 . 20 1 1 A 35 35 SER HA H 397 4.769 4.849 -0.080 1
1 372 . 20 1 1 A 35 35 SER CA C 397 56.350 56.136 0.214 1
1 373 . 20 1 1 A 35 35 SER CB C 397 65.912 65.022 0.890 1
1 374 . 20 1 1 A 35 35 SER N N 397 114.732 117.356 -2.624 1
1 375 . 20 1 1 A 36 36 HIS H H 398 9.538 8.895 0.643 1
1 376 . 20 1 1 A 36 36 HIS HA H 398 4.572 5.124 -0.552 1
1 381 . 20 1 1 A 36 36 HIS CA C 398 56.432 53.853 2.579 1
1 382 . 20 1 1 A 36 36 HIS CB C 398 29.935 32.981 -3.046 1
1 385 . 20 1 1 A 36 36 HIS N N 398 120.612 119.519 1.093 1
1 386 . 20 1 1 A 37 37 PRO HA H 399 3.457 2.927 0.530 1
1 393 . 20 1 1 A 37 37 PRO CA C 399 64.278 63.021 1.257 1
1 394 . 20 1 1 A 37 37 PRO CB C 399 30.979 30.919 0.060 1
1 397 . 20 1 1 A 38 38 GLY H H 400 8.832 8.693 0.139 1
1 398 . 20 1 1 A 38 38 GLY HA2 H 400 3.593 3.764 -0.171 1
1 399 . 20 1 1 A 38 38 GLY HA3 H 400 4.522 3.777 0.745 1
1 400 . 20 1 1 A 38 38 GLY CA C 400 44.843 45.038 -0.195 1
1 401 . 20 1 1 A 38 38 GLY N N 400 115.162 112.293 2.869 1
1 402 . 20 1 1 A 39 39 ASP H H 401 8.505 7.455 1.050 1
1 403 . 20 1 1 A 39 39 ASP HA H 401 4.938 4.969 -0.031 1
1 406 . 20 1 1 A 39 39 ASP CA C 401 54.320 53.058 1.262 1
1 407 . 20 1 1 A 39 39 ASP CB C 401 41.893 42.925 -1.032 1
1 408 . 20 1 1 A 39 39 ASP N N 401 121.905 120.613 1.292 1
1 409 . 20 1 1 A 40 40 SER H H 402 9.378 9.032 0.346 1
1 410 . 20 1 1 A 40 40 SER HA H 402 4.281 4.156 0.125 1
1 413 . 20 1 1 A 40 40 SER CA C 402 61.078 61.056 0.022 1
1 414 . 20 1 1 A 40 40 SER CB C 402 62.829 62.667 0.162 1
1 415 . 20 1 1 A 40 40 SER N N 402 119.493 118.152 1.341 1
1 416 . 20 1 1 A 41 41 ASP H H 403 8.924 7.905 1.019 1
1 417 . 20 1 1 A 41 41 ASP HA H 403 4.697 4.711 -0.014 1
1 420 . 20 1 1 A 41 41 ASP CA C 403 52.287 54.411 -2.124 1
1 421 . 20 1 1 A 41 41 ASP CB C 403 39.077 41.343 -2.266 1
1 422 . 20 1 1 A 41 41 ASP N N 403 116.599 119.044 -2.445 1
1 423 . 20 1 1 A 42 42 TYR H H 404 7.427 7.699 -0.272 1
1 424 . 20 1 1 A 42 42 TYR HA H 404 4.452 4.387 0.065 1
1 431 . 20 1 1 A 42 42 TYR CA C 404 59.218 59.743 -0.525 1
1 432 . 20 1 1 A 42 42 TYR CB C 404 39.543 39.179 0.364 1
1 437 . 20 1 1 A 42 42 TYR N N 404 122.560 122.962 -0.402 1
1 438 . 20 1 1 A 43 43 GLY H H 405 7.715 8.267 -0.552 1
1 439 . 20 1 1 A 43 43 GLY HA2 H 405 3.743 3.966 -0.223 1
1 440 . 20 1 1 A 43 43 GLY HA3 H 405 3.704 4.012 -0.308 1
1 441 . 20 1 1 A 43 43 GLY CA C 405 45.100 45.069 0.031 1
1 442 . 20 1 1 A 43 43 GLY N N 405 114.997 113.555 1.442 1
1 443 . 20 1 1 A 44 44 GLY H H 406 7.088 6.756 0.332 1
1 444 . 20 1 1 A 44 44 GLY HA2 H 406 3.887 3.609 0.278 1
1 445 . 20 1 1 A 44 44 GLY HA3 H 406 3.887 3.754 0.133 1
1 446 . 20 1 1 A 44 44 GLY CA C 406 45.011 46.550 -1.539 1
1 447 . 20 1 1 A 44 44 GLY N N 406 107.744 108.498 -0.754 1
1 448 . 20 1 1 A 45 45 VAL H H 407 8.064 7.708 0.356 1
1 449 . 20 1 1 A 45 45 VAL HA H 407 4.147 4.161 -0.014 1
1 457 . 20 1 1 A 45 45 VAL CA C 407 62.222 61.460 0.762 1
1 458 . 20 1 1 A 45 45 VAL CB C 407 32.899 29.784 3.115 1
1 461 . 20 1 1 A 45 45 VAL N N 407 119.029 118.873 0.156 1
1 462 . 20 1 1 A 46 46 GLN H H 408 8.506 8.102 0.404 1
1 463 . 20 1 1 A 46 46 GLN HA H 408 4.433 4.479 -0.046 1
1 470 . 20 1 1 A 46 46 GLN CA C 408 55.631 54.724 0.907 1
1 471 . 20 1 1 A 46 46 GLN CB C 408 29.682 26.770 2.912 1
1 473 . 20 1 1 A 46 46 GLN N N 408 124.737 125.028 -0.291 1
1 475 . 20 1 1 A 47 47 ILE H H 409 8.330 8.458 -0.128 1
1 476 . 20 1 1 A 47 47 ILE HA H 409 4.237 3.589 0.648 1
1 486 . 20 1 1 A 47 47 ILE CA C 409 60.885 62.216 -1.331 1
1 487 . 20 1 1 A 47 47 ILE CB C 409 38.690 36.242 2.448 1
1 491 . 20 1 1 A 47 47 ILE N N 409 123.582 118.792 4.790 1
1 492 . 20 1 1 A 48 48 VAL H H 410 8.298 8.127 0.171 1
1 493 . 20 1 1 A 48 48 VAL HA H 410 4.183 4.319 -0.136 1
1 501 . 20 1 1 A 48 48 VAL CA C 410 62.351 61.092 1.259 1
1 502 . 20 1 1 A 48 48 VAL CB C 410 32.841 31.913 0.928 1
1 505 . 20 1 1 A 48 48 VAL N N 410 125.073 120.554 4.519 1
1 506 . 20 1 1 A 49 49 GLY H H 411 8.609 7.817 0.792 1
1 507 . 20 1 1 A 49 49 GLY HA2 H 411 4.032 4.049 -0.017 1
1 508 . 20 1 1 A 49 49 GLY HA3 H 411 4.008 4.051 -0.043 1
1 509 . 20 1 1 A 49 49 GLY CA C 411 45.281 46.255 -0.974 1
1 510 . 20 1 1 A 49 49 GLY N N 411 113.133 113.017 0.116 1
1 511 . 20 1 1 A 50 50 GLN H H 412 8.317 8.337 -0.020 1
1 512 . 20 1 1 A 50 50 GLN HA H 412 4.403 4.038 0.365 1
1 519 . 20 1 1 A 50 50 GLN CA C 412 55.872 58.963 -3.091 1
1 520 . 20 1 1 A 50 50 GLN CB C 412 29.678 28.669 1.009 1
1 522 . 20 1 1 A 50 50 GLN N N 412 119.972 118.616 1.356 1
1 524 . 20 1 1 A 51 51 ASP H H 413 8.533 8.136 0.397 1
1 525 . 20 1 1 A 51 51 ASP HA H 413 4.646 4.883 -0.237 1
1 528 . 20 1 1 A 51 51 ASP CA C 413 54.459 52.843 1.616 1
1 529 . 20 1 1 A 51 51 ASP CB C 413 41.215 41.782 -0.567 1
1 530 . 20 1 1 A 51 51 ASP N N 413 121.378 117.621 3.757 1
1 531 . 20 1 1 A 52 52 GLU H H 414 8.457 7.826 0.631 1
1 532 . 20 1 1 A 52 52 GLU HA H 414 4.392 4.605 -0.213 1
1 537 . 20 1 1 A 52 52 GLU CA C 414 56.700 55.475 1.225 1
1 538 . 20 1 1 A 52 52 GLU CB C 414 30.238 30.045 0.193 1
1 540 . 20 1 1 A 52 52 GLU N N 414 121.491 123.138 -1.647 1
1 541 . 20 1 1 A 53 53 THR H H 415 8.263 7.939 0.324 1
1 542 . 20 1 1 A 53 53 THR HA H 415 4.306 4.595 -0.289 1
1 547 . 20 1 1 A 53 53 THR CA C 415 62.113 60.050 2.063 1
1 548 . 20 1 1 A 53 53 THR CB C 415 69.912 68.682 1.230 1
1 550 . 20 1 1 A 53 53 THR N N 415 114.960 113.945 1.015 1
1 551 . 20 1 1 A 54 54 ASP H H 416 8.279 8.594 -0.315 1
1 552 . 20 1 1 A 54 54 ASP HA H 416 4.661 5.056 -0.395 1
1 555 . 20 1 1 A 54 54 ASP CA C 416 53.775 52.887 0.888 1
1 556 . 20 1 1 A 54 54 ASP CB C 416 41.188 41.299 -0.111 1
1 557 . 20 1 1 A 54 54 ASP N N 416 123.335 123.741 -0.406 1
1 1 . 21 1 1 A 2 2 PRO HA H 364 4.519 4.714 -0.195 1
1 8 . 21 1 1 A 2 2 PRO CA C 364 63.238 62.808 0.430 1
1 9 . 21 1 1 A 2 2 PRO CB C 364 32.338 31.663 0.675 1
1 12 . 21 1 1 A 3 3 LEU H H 365 8.557 8.626 -0.069 1
1 13 . 21 1 1 A 3 3 LEU HA H 365 4.406 4.770 -0.364 1
1 23 . 21 1 1 A 3 3 LEU CA C 365 55.436 53.872 1.564 1
1 24 . 21 1 1 A 3 3 LEU CB C 365 42.304 45.498 -3.194 1
1 28 . 21 1 1 A 3 3 LEU N N 365 122.297 124.157 -1.860 1
1 29 . 21 1 1 A 4 4 GLY H H 366 8.443 8.967 -0.524 1
1 30 . 21 1 1 A 4 4 GLY HA2 H 366 4.040 3.995 0.045 1
1 31 . 21 1 1 A 4 4 GLY HA3 H 366 4.056 4.007 0.049 1
1 32 . 21 1 1 A 4 4 GLY CA C 366 45.361 45.294 0.067 1
1 33 . 21 1 1 A 4 4 GLY N N 366 110.040 115.051 -5.011 1
1 34 . 21 1 1 A 5 5 SER H H 367 8.374 8.732 -0.358 1
1 35 . 21 1 1 A 5 5 SER HA H 367 4.521 4.769 -0.248 1
1 38 . 21 1 1 A 5 5 SER CA C 367 58.573 56.794 1.779 1
1 39 . 21 1 1 A 5 5 SER CB C 367 64.058 64.250 -0.192 1
1 40 . 21 1 1 A 5 5 SER N N 367 116.007 119.158 -3.151 1
1 41 . 21 1 1 A 6 6 GLY H H 368 8.639 8.420 0.219 1
1 42 . 21 1 1 A 6 6 GLY HA2 H 368 4.095 4.149 -0.054 1
1 43 . 21 1 1 A 6 6 GLY HA3 H 368 4.067 4.151 -0.084 1
1 44 . 21 1 1 A 6 6 GLY CA C 368 45.494 44.446 1.048 1
1 45 . 21 1 1 A 6 6 GLY N N 368 111.362 116.224 -4.862 1
1 46 . 21 1 1 A 7 7 SER H H 369 8.313 8.009 0.304 1
1 47 . 21 1 1 A 7 7 SER HA H 369 4.516 5.220 -0.704 1
1 50 . 21 1 1 A 7 7 SER CA C 369 58.583 57.719 0.864 1
1 51 . 21 1 1 A 7 7 SER CB C 369 63.973 64.633 -0.660 1
1 52 . 21 1 1 A 7 7 SER N N 369 115.885 115.714 0.171 1
1 53 . 21 1 1 A 8 8 GLU H H 370 8.630 8.824 -0.194 1
1 54 . 21 1 1 A 8 8 GLU HA H 370 4.330 5.012 -0.682 1
1 59 . 21 1 1 A 8 8 GLU CA C 370 57.138 55.052 2.086 1
1 60 . 21 1 1 A 8 8 GLU CB C 370 29.984 32.896 -2.912 1
1 62 . 21 1 1 A 8 8 GLU N N 370 122.682 124.263 -1.581 1
1 63 . 21 1 1 A 9 9 GLY H H 371 8.394 8.665 -0.271 1
1 64 . 21 1 1 A 9 9 GLY HA2 H 371 3.976 3.881 0.095 1
1 65 . 21 1 1 A 9 9 GLY HA3 H 371 3.976 3.901 0.075 1
1 66 . 21 1 1 A 9 9 GLY CA C 371 45.469 46.522 -1.053 1
1 67 . 21 1 1 A 9 9 GLY N N 371 109.245 108.570 0.675 1
1 68 . 21 1 1 A 10 10 ASN H H 372 8.283 7.740 0.543 1
1 69 . 21 1 1 A 10 10 ASN HA H 372 4.732 5.110 -0.378 1
1 74 . 21 1 1 A 10 10 ASN CA C 372 53.263 52.078 1.185 1
1 75 . 21 1 1 A 10 10 ASN CB C 372 38.961 39.370 -0.409 1
1 76 . 21 1 1 A 10 10 ASN N N 372 118.662 116.580 2.082 1
1 78 . 21 1 1 A 11 11 LYS H H 373 8.264 7.986 0.278 1
1 79 . 21 1 1 A 11 11 LYS HA H 373 4.360 3.827 0.533 1
1 88 . 21 1 1 A 11 11 LYS CA C 373 56.413 57.164 -0.751 1
1 89 . 21 1 1 A 11 11 LYS CB C 373 33.054 30.025 3.029 1
1 93 . 21 1 1 A 11 11 LYS N N 373 121.729 115.271 6.458 1
1 94 . 21 1 1 A 12 12 VAL H H 374 8.114 7.795 0.319 1
1 95 . 21 1 1 A 12 12 VAL HA H 374 4.086 4.772 -0.686 1
1 103 . 21 1 1 A 12 12 VAL CA C 374 62.169 59.453 2.716 1
1 104 . 21 1 1 A 12 12 VAL CB C 374 32.862 35.785 -2.923 1
1 107 . 21 1 1 A 12 12 VAL N N 374 121.704 118.081 3.623 1
1 108 . 21 1 1 A 13 13 LYS H H 375 8.415 8.210 0.205 1
1 109 . 21 1 1 A 13 13 LYS HA H 375 4.383 4.514 -0.131 1
1 118 . 21 1 1 A 13 13 LYS CA C 375 55.989 55.776 0.213 1
1 119 . 21 1 1 A 13 13 LYS CB C 375 33.159 32.536 0.623 1
1 123 . 21 1 1 A 13 13 LYS N N 375 126.419 125.017 1.402 1
1 124 . 21 1 1 A 14 14 ARG H H 376 8.753 8.434 0.319 1
1 125 . 21 1 1 A 14 14 ARG HA H 376 4.363 4.304 0.059 1
1 132 . 21 1 1 A 14 14 ARG CA C 376 56.293 56.527 -0.234 1
1 133 . 21 1 1 A 14 14 ARG CB C 376 32.331 30.500 1.831 1
1 136 . 21 1 1 A 14 14 ARG N N 376 123.397 125.175 -1.778 1
1 137 . 21 1 1 A 15 15 THR H H 377 8.081 8.471 -0.390 1
1 138 . 21 1 1 A 15 15 THR HA H 377 4.398 4.448 -0.050 1
1 143 . 21 1 1 A 15 15 THR CA C 377 61.533 62.768 -1.235 1
1 144 . 21 1 1 A 15 15 THR CB C 377 70.409 69.101 1.308 1
1 146 . 21 1 1 A 15 15 THR N N 377 117.600 116.611 0.989 1
1 147 . 21 1 1 A 16 16 SER H H 378 8.614 8.221 0.393 1
1 148 . 21 1 1 A 16 16 SER HA H 378 4.853 4.417 0.436 1
1 151 . 21 1 1 A 16 16 SER CA C 378 59.098 58.691 0.407 1
1 152 . 21 1 1 A 16 16 SER CB C 378 63.763 63.448 0.315 1
1 153 . 21 1 1 A 16 16 SER N N 378 121.120 120.685 0.435 1
1 154 . 21 1 1 A 17 17 CYS H H 379 9.252 8.378 0.874 1
1 155 . 21 1 1 A 17 17 CYS HA H 379 3.994 4.652 -0.658 1
1 158 . 21 1 1 A 17 17 CYS CA C 379 60.962 59.260 1.702 1
1 159 . 21 1 1 A 17 17 CYS CB C 379 29.581 28.962 0.619 1
1 160 . 21 1 1 A 17 17 CYS N N 379 127.790 124.119 3.671 1
1 161 . 21 1 1 A 18 18 MET H H 380 8.831 8.899 -0.068 1
1 162 . 21 1 1 A 18 18 MET HA H 380 4.212 4.116 0.096 1
1 170 . 21 1 1 A 18 18 MET CA C 380 58.209 58.135 0.074 1
1 171 . 21 1 1 A 18 18 MET CB C 380 31.936 31.668 0.268 1
1 174 . 21 1 1 A 18 18 MET N N 380 130.017 125.187 4.830 1
1 175 . 21 1 1 A 19 19 TYR H H 381 8.701 7.790 0.911 1
1 176 . 21 1 1 A 19 19 TYR HA H 381 4.579 4.508 0.071 1
1 183 . 21 1 1 A 19 19 TYR CA C 381 58.762 59.770 -1.008 1
1 184 . 21 1 1 A 19 19 TYR CB C 381 37.595 38.742 -1.147 1
1 189 . 21 1 1 A 19 19 TYR N N 381 120.369 118.525 1.844 1
1 190 . 21 1 1 A 20 20 GLY H H 382 7.760 8.135 -0.375 1
1 191 . 21 1 1 A 20 20 GLY HA2 H 382 3.710 4.024 -0.314 1
1 192 . 21 1 1 A 20 20 GLY HA3 H 382 4.085 4.095 -0.010 1
1 193 . 21 1 1 A 20 20 GLY CA C 382 47.627 47.480 0.147 1
1 194 . 21 1 1 A 20 20 GLY N N 382 107.481 108.443 -0.962 1
1 195 . 21 1 1 A 21 21 ALA H H 383 9.248 8.328 0.920 1
1 196 . 21 1 1 A 21 21 ALA HA H 383 4.354 4.434 -0.080 1
1 200 . 21 1 1 A 21 21 ALA CA C 383 53.398 51.876 1.522 1
1 201 . 21 1 1 A 21 21 ALA CB C 383 18.808 19.513 -0.705 1
1 202 . 21 1 1 A 21 21 ALA N N 383 128.449 129.294 -0.845 1
1 203 . 21 1 1 A 22 22 ASN H H 384 8.261 8.124 0.137 1
1 204 . 21 1 1 A 22 22 ASN HA H 384 4.944 5.053 -0.109 1
1 209 . 21 1 1 A 22 22 ASN CA C 384 52.140 52.504 -0.364 1
1 210 . 21 1 1 A 22 22 ASN CB C 384 38.940 39.858 -0.918 1
1 211 . 21 1 1 A 22 22 ASN N N 384 115.516 115.547 -0.031 1
1 213 . 21 1 1 A 23 23 CYS H H 385 7.174 7.579 -0.405 1
1 214 . 21 1 1 A 23 23 CYS HA H 385 3.736 3.886 -0.150 1
1 217 . 21 1 1 A 23 23 CYS CA C 385 61.867 59.935 1.932 1
1 218 . 21 1 1 A 23 23 CYS CB C 385 29.434 28.791 0.643 1
1 219 . 21 1 1 A 23 23 CYS N N 385 121.580 120.239 1.341 1
1 220 . 21 1 1 A 24 24 TYR H H 386 7.680 7.903 -0.223 1
1 221 . 21 1 1 A 24 24 TYR HA H 386 4.858 4.544 0.314 1
1 228 . 21 1 1 A 24 24 TYR CA C 386 56.348 57.440 -1.092 1
1 229 . 21 1 1 A 24 24 TYR CB C 386 38.216 39.658 -1.442 1
1 234 . 21 1 1 A 24 24 TYR N N 386 126.676 122.746 3.930 1
1 235 . 21 1 1 A 25 25 ARG H H 387 7.988 6.356 1.632 1
1 236 . 21 1 1 A 25 25 ARG HA H 387 4.054 4.211 -0.157 1
1 243 . 21 1 1 A 25 25 ARG CA C 387 56.282 55.700 0.582 1
1 244 . 21 1 1 A 25 25 ARG CB C 387 29.894 30.233 -0.339 1
1 247 . 21 1 1 A 25 25 ARG N N 387 123.491 118.823 4.668 1
1 248 . 21 1 1 A 26 26 LYS H H 388 8.951 8.766 0.185 1
1 249 . 21 1 1 A 26 26 LYS HA H 388 4.635 4.744 -0.109 1
1 258 . 21 1 1 A 26 26 LYS CA C 388 55.605 54.703 0.902 1
1 259 . 21 1 1 A 26 26 LYS CB C 388 34.387 34.090 0.297 1
1 263 . 21 1 1 A 26 26 LYS N N 388 118.569 119.638 -1.069 1
1 264 . 21 1 1 A 27 27 ASN H H 389 8.400 8.592 -0.192 1
1 265 . 21 1 1 A 27 27 ASN HA H 389 4.950 5.213 -0.263 1
1 270 . 21 1 1 A 27 27 ASN CA C 389 51.827 50.004 1.823 1
1 271 . 21 1 1 A 27 27 ASN CB C 389 39.171 39.132 0.039 1
1 272 . 21 1 1 A 27 27 ASN N N 389 122.702 123.510 -0.808 1
1 274 . 21 1 1 A 28 28 PRO HA H 390 4.595 4.573 0.022 1
1 281 . 21 1 1 A 28 28 PRO CA C 390 65.632 64.883 0.749 1
1 282 . 21 1 1 A 28 28 PRO CB C 390 32.574 32.244 0.330 1
1 285 . 21 1 1 A 29 29 VAL H H 391 8.337 7.663 0.674 1
1 286 . 21 1 1 A 29 29 VAL HA H 391 3.818 4.462 -0.644 1
1 294 . 21 1 1 A 29 29 VAL CA C 391 65.608 64.575 1.033 1
1 295 . 21 1 1 A 29 29 VAL CB C 391 31.546 31.878 -0.332 1
1 298 . 21 1 1 A 29 29 VAL N N 391 117.431 116.307 1.124 1
1 299 . 21 1 1 A 30 30 HIS H H 392 8.037 8.180 -0.143 1
1 300 . 21 1 1 A 30 30 HIS HA H 392 4.565 4.217 0.348 1
1 305 . 21 1 1 A 30 30 HIS CA C 392 60.297 59.169 1.128 1
1 306 . 21 1 1 A 30 30 HIS CB C 392 27.700 29.642 -1.942 1
1 309 . 21 1 1 A 30 30 HIS N N 392 120.267 120.538 -0.271 1
1 310 . 21 1 1 A 31 31 PHE H H 393 7.059 8.187 -1.128 1
1 311 . 21 1 1 A 31 31 PHE HA H 393 4.465 4.422 0.043 1
1 319 . 21 1 1 A 31 31 PHE CA C 393 59.951 61.864 -1.913 1
1 320 . 21 1 1 A 31 31 PHE CB C 393 38.577 38.557 0.020 1
1 326 . 21 1 1 A 31 31 PHE N N 393 114.802 117.964 -3.162 1
1 327 . 21 1 1 A 32 32 GLN H H 394 7.671 8.115 -0.444 1
1 328 . 21 1 1 A 32 32 GLN HA H 394 4.261 4.282 -0.021 1
1 335 . 21 1 1 A 32 32 GLN CA C 394 57.393 58.751 -1.358 1
1 336 . 21 1 1 A 32 32 GLN CB C 394 28.710 28.573 0.137 1
1 338 . 21 1 1 A 32 32 GLN N N 394 117.129 119.673 -2.544 1
1 340 . 21 1 1 A 33 33 HIS H H 395 7.581 7.747 -0.166 1
1 341 . 21 1 1 A 33 33 HIS HA H 395 4.498 4.131 0.367 1
1 346 . 21 1 1 A 33 33 HIS CA C 395 56.467 58.082 -1.615 1
1 347 . 21 1 1 A 33 33 HIS CB C 395 31.398 30.692 0.706 1
1 350 . 21 1 1 A 33 33 HIS N N 395 115.481 115.224 0.257 1
1 351 . 21 1 1 A 34 34 PHE H H 396 8.044 7.637 0.407 1
1 352 . 21 1 1 A 34 34 PHE HA H 396 5.398 5.128 0.270 1
1 360 . 21 1 1 A 34 34 PHE CA C 396 56.318 56.274 0.044 1
1 361 . 21 1 1 A 34 34 PHE CB C 396 41.617 42.527 -0.910 1
1 367 . 21 1 1 A 34 34 PHE N N 396 117.547 115.713 1.834 1
1 368 . 21 1 1 A 35 35 SER H H 397 8.603 9.633 -1.030 1
1 369 . 21 1 1 A 35 35 SER HA H 397 4.769 4.925 -0.156 1
1 372 . 21 1 1 A 35 35 SER CA C 397 56.350 58.320 -1.970 1
1 373 . 21 1 1 A 35 35 SER CB C 397 65.912 64.438 1.474 1
1 374 . 21 1 1 A 35 35 SER N N 397 114.732 118.701 -3.969 1
1 375 . 21 1 1 A 36 36 HIS H H 398 9.538 8.799 0.739 1
1 376 . 21 1 1 A 36 36 HIS HA H 398 4.572 5.229 -0.657 1
1 381 . 21 1 1 A 36 36 HIS CA C 398 56.432 53.961 2.471 1
1 382 . 21 1 1 A 36 36 HIS CB C 398 29.935 33.106 -3.171 1
1 385 . 21 1 1 A 36 36 HIS N N 398 120.612 119.349 1.263 1
1 386 . 21 1 1 A 37 37 PRO HA H 399 3.457 3.022 0.435 1
1 393 . 21 1 1 A 37 37 PRO CA C 399 64.278 63.192 1.086 1
1 394 . 21 1 1 A 37 37 PRO CB C 399 30.979 30.985 -0.006 1
1 397 . 21 1 1 A 38 38 GLY H H 400 8.832 8.597 0.235 1
1 398 . 21 1 1 A 38 38 GLY HA2 H 400 3.593 3.747 -0.154 1
1 399 . 21 1 1 A 38 38 GLY HA3 H 400 4.522 3.752 0.770 1
1 400 . 21 1 1 A 38 38 GLY CA C 400 44.843 45.015 -0.172 1
1 401 . 21 1 1 A 38 38 GLY N N 400 115.162 112.350 2.812 1
1 402 . 21 1 1 A 39 39 ASP H H 401 8.505 7.537 0.968 1
1 403 . 21 1 1 A 39 39 ASP HA H 401 4.938 5.089 -0.151 1
1 406 . 21 1 1 A 39 39 ASP CA C 401 54.320 52.566 1.754 1
1 407 . 21 1 1 A 39 39 ASP CB C 401 41.893 43.856 -1.963 1
1 408 . 21 1 1 A 39 39 ASP N N 401 121.905 120.505 1.400 1
1 409 . 21 1 1 A 40 40 SER H H 402 9.378 8.938 0.440 1
1 410 . 21 1 1 A 40 40 SER HA H 402 4.281 4.205 0.076 1
1 413 . 21 1 1 A 40 40 SER CA C 402 61.078 61.819 -0.741 1
1 414 . 21 1 1 A 40 40 SER CB C 402 62.829 62.521 0.308 1
1 415 . 21 1 1 A 40 40 SER N N 402 119.493 118.133 1.360 1
1 416 . 21 1 1 A 41 41 ASP H H 403 8.924 8.040 0.884 1
1 417 . 21 1 1 A 41 41 ASP HA H 403 4.697 4.576 0.121 1
1 420 . 21 1 1 A 41 41 ASP CA C 403 52.287 55.903 -3.616 1
1 421 . 21 1 1 A 41 41 ASP CB C 403 39.077 40.781 -1.704 1
1 422 . 21 1 1 A 41 41 ASP N N 403 116.599 119.932 -3.333 1
1 423 . 21 1 1 A 42 42 TYR H H 404 7.427 7.571 -0.144 1
1 424 . 21 1 1 A 42 42 TYR HA H 404 4.452 4.323 0.129 1
1 431 . 21 1 1 A 42 42 TYR CA C 404 59.218 59.904 -0.686 1
1 432 . 21 1 1 A 42 42 TYR CB C 404 39.543 38.953 0.590 1
1 437 . 21 1 1 A 42 42 TYR N N 404 122.560 122.382 0.178 1
1 438 . 21 1 1 A 43 43 GLY H H 405 7.715 8.327 -0.612 1
1 439 . 21 1 1 A 43 43 GLY HA2 H 405 3.743 3.988 -0.245 1
1 440 . 21 1 1 A 43 43 GLY HA3 H 405 3.704 4.088 -0.384 1
1 441 . 21 1 1 A 43 43 GLY CA C 405 45.100 45.506 -0.406 1
1 442 . 21 1 1 A 43 43 GLY N N 405 114.997 113.350 1.647 1
1 443 . 21 1 1 A 44 44 GLY H H 406 7.088 8.004 -0.916 1
1 444 . 21 1 1 A 44 44 GLY HA2 H 406 3.887 3.944 -0.057 1
1 445 . 21 1 1 A 44 44 GLY HA3 H 406 3.887 3.967 -0.080 1
1 446 . 21 1 1 A 44 44 GLY CA C 406 45.011 45.833 -0.822 1
1 447 . 21 1 1 A 44 44 GLY N N 406 107.744 109.519 -1.775 1
1 448 . 21 1 1 A 45 45 VAL H H 407 8.064 7.679 0.385 1
1 449 . 21 1 1 A 45 45 VAL HA H 407 4.147 4.222 -0.075 1
1 457 . 21 1 1 A 45 45 VAL CA C 407 62.222 60.965 1.257 1
1 458 . 21 1 1 A 45 45 VAL CB C 407 32.899 31.314 1.585 1
1 461 . 21 1 1 A 45 45 VAL N N 407 119.029 120.985 -1.956 1
1 462 . 21 1 1 A 46 46 GLN H H 408 8.506 7.804 0.702 1
1 463 . 21 1 1 A 46 46 GLN HA H 408 4.433 4.854 -0.421 1
1 470 . 21 1 1 A 46 46 GLN CA C 408 55.631 54.548 1.083 1
1 471 . 21 1 1 A 46 46 GLN CB C 408 29.682 29.855 -0.173 1
1 473 . 21 1 1 A 46 46 GLN N N 408 124.737 125.315 -0.578 1
1 475 . 21 1 1 A 47 47 ILE H H 409 8.330 8.866 -0.536 1
1 476 . 21 1 1 A 47 47 ILE HA H 409 4.237 4.381 -0.144 1
1 486 . 21 1 1 A 47 47 ILE CA C 409 60.885 60.766 0.119 1
1 487 . 21 1 1 A 47 47 ILE CB C 409 38.690 36.058 2.632 1
1 491 . 21 1 1 A 47 47 ILE N N 409 123.582 126.220 -2.638 1
1 492 . 21 1 1 A 48 48 VAL H H 410 8.298 8.134 0.164 1
1 493 . 21 1 1 A 48 48 VAL HA H 410 4.183 4.369 -0.186 1
1 501 . 21 1 1 A 48 48 VAL CA C 410 62.351 61.132 1.219 1
1 502 . 21 1 1 A 48 48 VAL CB C 410 32.841 31.984 0.857 1
1 505 . 21 1 1 A 48 48 VAL N N 410 125.073 127.693 -2.620 1
1 506 . 21 1 1 A 49 49 GLY H H 411 8.609 7.914 0.695 1
1 507 . 21 1 1 A 49 49 GLY HA2 H 411 4.032 4.025 0.007 1
1 508 . 21 1 1 A 49 49 GLY HA3 H 411 4.008 4.026 -0.018 1
1 509 . 21 1 1 A 49 49 GLY CA C 411 45.281 46.362 -1.081 1
1 510 . 21 1 1 A 49 49 GLY N N 411 113.133 113.264 -0.131 1
1 511 . 21 1 1 A 50 50 GLN H H 412 8.317 8.295 0.022 1
1 512 . 21 1 1 A 50 50 GLN HA H 412 4.403 4.072 0.331 1
1 519 . 21 1 1 A 50 50 GLN CA C 412 55.872 58.957 -3.085 1
1 520 . 21 1 1 A 50 50 GLN CB C 412 29.678 28.686 0.992 1
1 522 . 21 1 1 A 50 50 GLN N N 412 119.972 118.659 1.313 1
1 524 . 21 1 1 A 51 51 ASP H H 413 8.533 8.055 0.478 1
1 525 . 21 1 1 A 51 51 ASP HA H 413 4.646 4.751 -0.105 1
1 528 . 21 1 1 A 51 51 ASP CA C 413 54.459 53.073 1.386 1
1 529 . 21 1 1 A 51 51 ASP CB C 413 41.215 41.718 -0.503 1
1 530 . 21 1 1 A 51 51 ASP N N 413 121.378 116.956 4.422 1
1 531 . 21 1 1 A 52 52 GLU H H 414 8.457 7.886 0.571 1
1 532 . 21 1 1 A 52 52 GLU HA H 414 4.392 4.571 -0.179 1
1 537 . 21 1 1 A 52 52 GLU CA C 414 56.700 55.566 1.134 1
1 538 . 21 1 1 A 52 52 GLU CB C 414 30.238 29.896 0.342 1
1 540 . 21 1 1 A 52 52 GLU N N 414 121.491 121.678 -0.187 1
1 541 . 21 1 1 A 53 53 THR H H 415 8.263 7.660 0.603 1
1 542 . 21 1 1 A 53 53 THR HA H 415 4.306 4.580 -0.274 1
1 547 . 21 1 1 A 53 53 THR CA C 415 62.113 60.277 1.836 1
1 548 . 21 1 1 A 53 53 THR CB C 415 69.912 68.818 1.094 1
1 550 . 21 1 1 A 53 53 THR N N 415 114.960 112.190 2.770 1
1 551 . 21 1 1 A 54 54 ASP H H 416 8.279 8.600 -0.321 1
1 552 . 21 1 1 A 54 54 ASP HA H 416 4.661 5.010 -0.349 1
1 555 . 21 1 1 A 54 54 ASP CA C 416 53.775 53.490 0.285 1
1 556 . 21 1 1 A 54 54 ASP CB C 416 41.188 41.415 -0.227 1
1 557 . 21 1 1 A 54 54 ASP N N 416 123.335 123.961 -0.626 1
1 1 . 22 1 1 A 2 2 PRO HA H 364 4.519 4.652 -0.133 1
1 8 . 22 1 1 A 2 2 PRO CA C 364 63.238 62.731 0.507 1
1 9 . 22 1 1 A 2 2 PRO CB C 364 32.338 33.309 -0.971 1
1 12 . 22 1 1 A 3 3 LEU H H 365 8.557 8.626 -0.069 1
1 13 . 22 1 1 A 3 3 LEU HA H 365 4.406 4.901 -0.495 1
1 23 . 22 1 1 A 3 3 LEU CA C 365 55.436 53.523 1.913 1
1 24 . 22 1 1 A 3 3 LEU CB C 365 42.304 45.590 -3.286 1
1 28 . 22 1 1 A 3 3 LEU N N 365 122.297 120.912 1.385 1
1 29 . 22 1 1 A 4 4 GLY H H 366 8.443 8.623 -0.180 1
1 30 . 22 1 1 A 4 4 GLY HA2 H 366 4.040 4.055 -0.015 1
1 31 . 22 1 1 A 4 4 GLY HA3 H 366 4.056 4.058 -0.002 1
1 32 . 22 1 1 A 4 4 GLY CA C 366 45.361 46.479 -1.118 1
1 33 . 22 1 1 A 4 4 GLY N N 366 110.040 110.794 -0.754 1
1 34 . 22 1 1 A 5 5 SER H H 367 8.374 7.773 0.601 1
1 35 . 22 1 1 A 5 5 SER HA H 367 4.521 4.867 -0.346 1
1 38 . 22 1 1 A 5 5 SER CA C 367 58.573 56.974 1.599 1
1 39 . 22 1 1 A 5 5 SER CB C 367 64.058 64.660 -0.602 1
1 40 . 22 1 1 A 5 5 SER N N 367 116.007 114.757 1.250 1
1 41 . 22 1 1 A 6 6 GLY H H 368 8.639 8.388 0.251 1
1 42 . 22 1 1 A 6 6 GLY HA2 H 368 4.095 4.282 -0.187 1
1 43 . 22 1 1 A 6 6 GLY HA3 H 368 4.067 4.374 -0.307 1
1 44 . 22 1 1 A 6 6 GLY CA C 368 45.494 44.776 0.718 1
1 45 . 22 1 1 A 6 6 GLY N N 368 111.362 116.432 -5.070 1
1 46 . 22 1 1 A 7 7 SER H H 369 8.313 8.715 -0.402 1
1 47 . 22 1 1 A 7 7 SER HA H 369 4.516 4.953 -0.437 1
1 50 . 22 1 1 A 7 7 SER CA C 369 58.583 56.915 1.668 1
1 51 . 22 1 1 A 7 7 SER CB C 369 63.973 63.765 0.208 1
1 52 . 22 1 1 A 7 7 SER N N 369 115.885 117.384 -1.499 1
1 53 . 22 1 1 A 8 8 GLU H H 370 8.630 8.241 0.389 1
1 54 . 22 1 1 A 8 8 GLU HA H 370 4.330 4.621 -0.291 1
1 59 . 22 1 1 A 8 8 GLU CA C 370 57.138 55.473 1.665 1
1 60 . 22 1 1 A 8 8 GLU CB C 370 29.984 30.298 -0.314 1
1 62 . 22 1 1 A 8 8 GLU N N 370 122.682 121.018 1.664 1
1 63 . 22 1 1 A 9 9 GLY H H 371 8.394 7.957 0.437 1
1 64 . 22 1 1 A 9 9 GLY HA2 H 371 3.976 4.161 -0.185 1
1 65 . 22 1 1 A 9 9 GLY HA3 H 371 3.976 4.181 -0.205 1
1 66 . 22 1 1 A 9 9 GLY CA C 371 45.469 45.714 -0.245 1
1 67 . 22 1 1 A 9 9 GLY N N 371 109.245 108.938 0.307 1
1 68 . 22 1 1 A 10 10 ASN H H 372 8.283 7.974 0.309 1
1 69 . 22 1 1 A 10 10 ASN HA H 372 4.732 4.991 -0.259 1
1 74 . 22 1 1 A 10 10 ASN CA C 372 53.263 54.227 -0.964 1
1 75 . 22 1 1 A 10 10 ASN CB C 372 38.961 41.329 -2.368 1
1 76 . 22 1 1 A 10 10 ASN N N 372 118.662 116.261 2.401 1
1 78 . 22 1 1 A 11 11 LYS H H 373 8.264 7.762 0.502 1
1 79 . 22 1 1 A 11 11 LYS HA H 373 4.360 4.501 -0.141 1
1 88 . 22 1 1 A 11 11 LYS CA C 373 56.413 55.193 1.220 1
1 89 . 22 1 1 A 11 11 LYS CB C 373 33.054 32.745 0.309 1
1 93 . 22 1 1 A 11 11 LYS N N 373 121.729 117.570 4.159 1
1 94 . 22 1 1 A 12 12 VAL H H 374 8.114 7.781 0.333 1
1 95 . 22 1 1 A 12 12 VAL HA H 374 4.086 4.934 -0.848 1
1 103 . 22 1 1 A 12 12 VAL CA C 374 62.169 59.430 2.739 1
1 104 . 22 1 1 A 12 12 VAL CB C 374 32.862 35.843 -2.981 1
1 107 . 22 1 1 A 12 12 VAL N N 374 121.704 120.001 1.703 1
1 108 . 22 1 1 A 13 13 LYS H H 375 8.415 8.390 0.025 1
1 109 . 22 1 1 A 13 13 LYS HA H 375 4.383 4.592 -0.209 1
1 118 . 22 1 1 A 13 13 LYS CA C 375 55.989 55.470 0.519 1
1 119 . 22 1 1 A 13 13 LYS CB C 375 33.159 32.361 0.798 1
1 123 . 22 1 1 A 13 13 LYS N N 375 126.419 125.098 1.321 1
1 124 . 22 1 1 A 14 14 ARG H H 376 8.753 8.334 0.419 1
1 125 . 22 1 1 A 14 14 ARG HA H 376 4.363 4.289 0.074 1
1 132 . 22 1 1 A 14 14 ARG CA C 376 56.293 56.738 -0.445 1
1 133 . 22 1 1 A 14 14 ARG CB C 376 32.331 30.661 1.670 1
1 136 . 22 1 1 A 14 14 ARG N N 376 123.397 124.782 -1.385 1
1 137 . 22 1 1 A 15 15 THR H H 377 8.081 8.309 -0.228 1
1 138 . 22 1 1 A 15 15 THR HA H 377 4.398 4.388 0.010 1
1 143 . 22 1 1 A 15 15 THR CA C 377 61.533 61.829 -0.296 1
1 144 . 22 1 1 A 15 15 THR CB C 377 70.409 69.737 0.672 1
1 146 . 22 1 1 A 15 15 THR N N 377 117.600 117.937 -0.337 1
1 147 . 22 1 1 A 16 16 SER H H 378 8.614 8.546 0.068 1
1 148 . 22 1 1 A 16 16 SER HA H 378 4.853 4.597 0.256 1
1 151 . 22 1 1 A 16 16 SER CA C 378 59.098 57.759 1.339 1
1 152 . 22 1 1 A 16 16 SER CB C 378 63.763 64.644 -0.881 1
1 153 . 22 1 1 A 16 16 SER N N 378 121.120 118.778 2.342 1
1 154 . 22 1 1 A 17 17 CYS H H 379 9.252 8.501 0.751 1
1 155 . 22 1 1 A 17 17 CYS HA H 379 3.994 4.671 -0.677 1
1 158 . 22 1 1 A 17 17 CYS CA C 379 60.962 59.033 1.929 1
1 159 . 22 1 1 A 17 17 CYS CB C 379 29.581 28.318 1.263 1
1 160 . 22 1 1 A 17 17 CYS N N 379 127.790 122.489 5.301 1
1 161 . 22 1 1 A 18 18 MET H H 380 8.831 8.974 -0.143 1
1 162 . 22 1 1 A 18 18 MET HA H 380 4.212 4.107 0.105 1
1 170 . 22 1 1 A 18 18 MET CA C 380 58.209 58.246 -0.037 1
1 171 . 22 1 1 A 18 18 MET CB C 380 31.936 31.762 0.174 1
1 174 . 22 1 1 A 18 18 MET N N 380 130.017 124.677 5.340 1
1 175 . 22 1 1 A 19 19 TYR H H 381 8.701 7.835 0.866 1
1 176 . 22 1 1 A 19 19 TYR HA H 381 4.579 4.512 0.067 1
1 183 . 22 1 1 A 19 19 TYR CA C 381 58.762 59.995 -1.233 1
1 184 . 22 1 1 A 19 19 TYR CB C 381 37.595 38.757 -1.162 1
1 189 . 22 1 1 A 19 19 TYR N N 381 120.369 118.707 1.662 1
1 190 . 22 1 1 A 20 20 GLY H H 382 7.760 8.286 -0.526 1
1 191 . 22 1 1 A 20 20 GLY HA2 H 382 3.710 4.037 -0.327 1
1 192 . 22 1 1 A 20 20 GLY HA3 H 382 4.085 4.106 -0.021 1
1 193 . 22 1 1 A 20 20 GLY CA C 382 47.627 47.453 0.174 1
1 194 . 22 1 1 A 20 20 GLY N N 382 107.481 108.545 -1.064 1
1 195 . 22 1 1 A 21 21 ALA H H 383 9.248 8.345 0.903 1
1 196 . 22 1 1 A 21 21 ALA HA H 383 4.354 4.411 -0.057 1
1 200 . 22 1 1 A 21 21 ALA CA C 383 53.398 52.303 1.095 1
1 201 . 22 1 1 A 21 21 ALA CB C 383 18.808 19.730 -0.922 1
1 202 . 22 1 1 A 21 21 ALA N N 383 128.449 129.279 -0.830 1
1 203 . 22 1 1 A 22 22 ASN H H 384 8.261 8.239 0.022 1
1 204 . 22 1 1 A 22 22 ASN HA H 384 4.944 5.042 -0.098 1
1 209 . 22 1 1 A 22 22 ASN CA C 384 52.140 53.056 -0.916 1
1 210 . 22 1 1 A 22 22 ASN CB C 384 38.940 39.825 -0.885 1
1 211 . 22 1 1 A 22 22 ASN N N 384 115.516 115.423 0.093 1
1 213 . 22 1 1 A 23 23 CYS H H 385 7.174 7.662 -0.488 1
1 214 . 22 1 1 A 23 23 CYS HA H 385 3.736 3.853 -0.117 1
1 217 . 22 1 1 A 23 23 CYS CA C 385 61.867 59.858 2.009 1
1 218 . 22 1 1 A 23 23 CYS CB C 385 29.434 28.382 1.052 1
1 219 . 22 1 1 A 23 23 CYS N N 385 121.580 120.384 1.196 1
1 220 . 22 1 1 A 24 24 TYR H H 386 7.680 7.902 -0.222 1
1 221 . 22 1 1 A 24 24 TYR HA H 386 4.858 4.553 0.305 1
1 228 . 22 1 1 A 24 24 TYR CA C 386 56.348 57.706 -1.358 1
1 229 . 22 1 1 A 24 24 TYR CB C 386 38.216 39.659 -1.443 1
1 234 . 22 1 1 A 24 24 TYR N N 386 126.676 123.062 3.614 1
1 235 . 22 1 1 A 25 25 ARG H H 387 7.988 6.087 1.901 1
1 236 . 22 1 1 A 25 25 ARG HA H 387 4.054 4.113 -0.059 1
1 243 . 22 1 1 A 25 25 ARG CA C 387 56.282 55.806 0.476 1
1 244 . 22 1 1 A 25 25 ARG CB C 387 29.894 30.048 -0.154 1
1 247 . 22 1 1 A 25 25 ARG N N 387 123.491 119.451 4.040 1
1 248 . 22 1 1 A 26 26 LYS H H 388 8.951 8.710 0.241 1
1 249 . 22 1 1 A 26 26 LYS HA H 388 4.635 4.604 0.031 1
1 258 . 22 1 1 A 26 26 LYS CA C 388 55.605 55.374 0.231 1
1 259 . 22 1 1 A 26 26 LYS CB C 388 34.387 32.268 2.119 1
1 263 . 22 1 1 A 26 26 LYS N N 388 118.569 118.529 0.040 1
1 264 . 22 1 1 A 27 27 ASN H H 389 8.400 7.753 0.647 1
1 265 . 22 1 1 A 27 27 ASN HA H 389 4.950 5.167 -0.217 1
1 270 . 22 1 1 A 27 27 ASN CA C 389 51.827 49.623 2.204 1
1 271 . 22 1 1 A 27 27 ASN CB C 389 39.171 40.047 -0.876 1
1 272 . 22 1 1 A 27 27 ASN N N 389 122.702 119.031 3.671 1
1 274 . 22 1 1 A 28 28 PRO HA H 390 4.595 4.665 -0.070 1
1 281 . 22 1 1 A 28 28 PRO CA C 390 65.632 66.424 -0.792 1
1 282 . 22 1 1 A 28 28 PRO CB C 390 32.574 31.550 1.024 1
1 285 . 22 1 1 A 29 29 VAL H H 391 8.337 7.888 0.449 1
1 286 . 22 1 1 A 29 29 VAL HA H 391 3.818 4.099 -0.281 1
1 294 . 22 1 1 A 29 29 VAL CA C 391 65.608 65.679 -0.071 1
1 295 . 22 1 1 A 29 29 VAL CB C 391 31.546 31.569 -0.023 1
1 298 . 22 1 1 A 29 29 VAL N N 391 117.431 115.768 1.663 1
1 299 . 22 1 1 A 30 30 HIS H H 392 8.037 8.098 -0.061 1
1 300 . 22 1 1 A 30 30 HIS HA H 392 4.565 4.106 0.459 1
1 305 . 22 1 1 A 30 30 HIS CA C 392 60.297 59.137 1.160 1
1 306 . 22 1 1 A 30 30 HIS CB C 392 27.700 29.428 -1.728 1
1 309 . 22 1 1 A 30 30 HIS N N 392 120.267 119.583 0.684 1
1 310 . 22 1 1 A 31 31 PHE H H 393 7.059 8.677 -1.618 1
1 311 . 22 1 1 A 31 31 PHE HA H 393 4.465 4.404 0.061 1
1 319 . 22 1 1 A 31 31 PHE CA C 393 59.951 61.730 -1.779 1
1 320 . 22 1 1 A 31 31 PHE CB C 393 38.577 38.505 0.072 1
1 326 . 22 1 1 A 31 31 PHE N N 393 114.802 117.979 -3.177 1
1 327 . 22 1 1 A 32 32 GLN H H 394 7.671 7.851 -0.180 1
1 328 . 22 1 1 A 32 32 GLN HA H 394 4.261 4.307 -0.046 1
1 335 . 22 1 1 A 32 32 GLN CA C 394 57.393 58.687 -1.294 1
1 336 . 22 1 1 A 32 32 GLN CB C 394 28.710 28.170 0.540 1
1 338 . 22 1 1 A 32 32 GLN N N 394 117.129 119.030 -1.901 1
1 340 . 22 1 1 A 33 33 HIS H H 395 7.581 7.715 -0.134 1
1 341 . 22 1 1 A 33 33 HIS HA H 395 4.498 4.198 0.300 1
1 346 . 22 1 1 A 33 33 HIS CA C 395 56.467 58.347 -1.880 1
1 347 . 22 1 1 A 33 33 HIS CB C 395 31.398 30.759 0.639 1
1 350 . 22 1 1 A 33 33 HIS N N 395 115.481 115.112 0.369 1
1 351 . 22 1 1 A 34 34 PHE H H 396 8.044 7.989 0.055 1
1 352 . 22 1 1 A 34 34 PHE HA H 396 5.398 5.135 0.263 1
1 360 . 22 1 1 A 34 34 PHE CA C 396 56.318 55.923 0.395 1
1 361 . 22 1 1 A 34 34 PHE CB C 396 41.617 42.161 -0.544 1
1 367 . 22 1 1 A 34 34 PHE N N 396 117.547 115.887 1.660 1
1 368 . 22 1 1 A 35 35 SER H H 397 8.603 9.732 -1.129 1
1 369 . 22 1 1 A 35 35 SER HA H 397 4.769 4.827 -0.058 1
1 372 . 22 1 1 A 35 35 SER CA C 397 56.350 56.247 0.103 1
1 373 . 22 1 1 A 35 35 SER CB C 397 65.912 64.755 1.157 1
1 374 . 22 1 1 A 35 35 SER N N 397 114.732 118.038 -3.306 1
1 375 . 22 1 1 A 36 36 HIS H H 398 9.538 8.889 0.649 1
1 376 . 22 1 1 A 36 36 HIS HA H 398 4.572 5.162 -0.590 1
1 381 . 22 1 1 A 36 36 HIS CA C 398 56.432 53.920 2.512 1
1 382 . 22 1 1 A 36 36 HIS CB C 398 29.935 33.121 -3.186 1
1 385 . 22 1 1 A 36 36 HIS N N 398 120.612 119.946 0.666 1
1 386 . 22 1 1 A 37 37 PRO HA H 399 3.457 3.009 0.448 1
1 393 . 22 1 1 A 37 37 PRO CA C 399 64.278 63.061 1.217 1
1 394 . 22 1 1 A 37 37 PRO CB C 399 30.979 30.956 0.023 1
1 397 . 22 1 1 A 38 38 GLY H H 400 8.832 8.676 0.156 1
1 398 . 22 1 1 A 38 38 GLY HA2 H 400 3.593 3.800 -0.207 1
1 399 . 22 1 1 A 38 38 GLY HA3 H 400 4.522 3.809 0.713 1
1 400 . 22 1 1 A 38 38 GLY CA C 400 44.843 45.107 -0.264 1
1 401 . 22 1 1 A 38 38 GLY N N 400 115.162 112.082 3.080 1
1 402 . 22 1 1 A 39 39 ASP H H 401 8.505 7.504 1.001 1
1 403 . 22 1 1 A 39 39 ASP HA H 401 4.938 4.894 0.044 1
1 406 . 22 1 1 A 39 39 ASP CA C 401 54.320 53.327 0.993 1
1 407 . 22 1 1 A 39 39 ASP CB C 401 41.893 42.902 -1.009 1
1 408 . 22 1 1 A 39 39 ASP N N 401 121.905 121.108 0.797 1
1 409 . 22 1 1 A 40 40 SER H H 402 9.378 9.127 0.251 1
1 410 . 22 1 1 A 40 40 SER HA H 402 4.281 4.167 0.114 1
1 413 . 22 1 1 A 40 40 SER CA C 402 61.078 61.205 -0.127 1
1 414 . 22 1 1 A 40 40 SER CB C 402 62.829 63.002 -0.173 1
1 415 . 22 1 1 A 40 40 SER N N 402 119.493 117.498 1.995 1
1 416 . 22 1 1 A 41 41 ASP H H 403 8.924 7.892 1.032 1
1 417 . 22 1 1 A 41 41 ASP HA H 403 4.697 4.699 -0.002 1
1 420 . 22 1 1 A 41 41 ASP CA C 403 52.287 54.342 -2.055 1
1 421 . 22 1 1 A 41 41 ASP CB C 403 39.077 41.453 -2.376 1
1 422 . 22 1 1 A 41 41 ASP N N 403 116.599 118.381 -1.782 1
1 423 . 22 1 1 A 42 42 TYR H H 404 7.427 7.799 -0.372 1
1 424 . 22 1 1 A 42 42 TYR HA H 404 4.452 4.343 0.109 1
1 431 . 22 1 1 A 42 42 TYR CA C 404 59.218 59.672 -0.454 1
1 432 . 22 1 1 A 42 42 TYR CB C 404 39.543 39.178 0.365 1
1 437 . 22 1 1 A 42 42 TYR N N 404 122.560 122.989 -0.429 1
1 438 . 22 1 1 A 43 43 GLY H H 405 7.715 8.521 -0.806 1
1 439 . 22 1 1 A 43 43 GLY HA2 H 405 3.743 3.750 -0.007 1
1 440 . 22 1 1 A 43 43 GLY HA3 H 405 3.704 3.787 -0.083 1
1 441 . 22 1 1 A 43 43 GLY CA C 405 45.100 45.165 -0.065 1
1 442 . 22 1 1 A 43 43 GLY N N 405 114.997 113.402 1.595 1
1 443 . 22 1 1 A 44 44 GLY H H 406 7.088 6.402 0.686 1
1 444 . 22 1 1 A 44 44 GLY HA2 H 406 3.887 3.606 0.281 1
1 445 . 22 1 1 A 44 44 GLY HA3 H 406 3.887 3.823 0.064 1
1 446 . 22 1 1 A 44 44 GLY CA C 406 45.011 44.291 0.720 1
1 447 . 22 1 1 A 44 44 GLY N N 406 107.744 105.732 2.012 1
1 448 . 22 1 1 A 45 45 VAL H H 407 8.064 8.188 -0.124 1
1 449 . 22 1 1 A 45 45 VAL HA H 407 4.147 4.694 -0.547 1
1 457 . 22 1 1 A 45 45 VAL CA C 407 62.222 61.829 0.393 1
1 458 . 22 1 1 A 45 45 VAL CB C 407 32.899 33.872 -0.973 1
1 461 . 22 1 1 A 45 45 VAL N N 407 119.029 122.210 -3.181 1
1 462 . 22 1 1 A 46 46 GLN H H 408 8.506 8.893 -0.387 1
1 463 . 22 1 1 A 46 46 GLN HA H 408 4.433 5.024 -0.591 1
1 470 . 22 1 1 A 46 46 GLN CA C 408 55.631 54.978 0.653 1
1 471 . 22 1 1 A 46 46 GLN CB C 408 29.682 29.183 0.499 1
1 473 . 22 1 1 A 46 46 GLN N N 408 124.737 124.166 0.571 1
1 475 . 22 1 1 A 47 47 ILE H H 409 8.330 8.939 -0.609 1
1 476 . 22 1 1 A 47 47 ILE HA H 409 4.237 4.266 -0.029 1
1 486 . 22 1 1 A 47 47 ILE CA C 409 60.885 60.980 -0.095 1
1 487 . 22 1 1 A 47 47 ILE CB C 409 38.690 35.838 2.852 1
1 491 . 22 1 1 A 47 47 ILE N N 409 123.582 126.201 -2.619 1
1 492 . 22 1 1 A 48 48 VAL H H 410 8.298 8.275 0.023 1
1 493 . 22 1 1 A 48 48 VAL HA H 410 4.183 4.322 -0.139 1
1 501 . 22 1 1 A 48 48 VAL CA C 410 62.351 61.118 1.233 1
1 502 . 22 1 1 A 48 48 VAL CB C 410 32.841 32.150 0.691 1
1 505 . 22 1 1 A 48 48 VAL N N 410 125.073 128.164 -3.091 1
1 506 . 22 1 1 A 49 49 GLY H H 411 8.609 7.868 0.741 1
1 507 . 22 1 1 A 49 49 GLY HA2 H 411 4.032 4.039 -0.007 1
1 508 . 22 1 1 A 49 49 GLY HA3 H 411 4.008 4.053 -0.045 1
1 509 . 22 1 1 A 49 49 GLY CA C 411 45.281 46.267 -0.986 1
1 510 . 22 1 1 A 49 49 GLY N N 411 113.133 113.158 -0.025 1
1 511 . 22 1 1 A 50 50 GLN H H 412 8.317 8.375 -0.058 1
1 512 . 22 1 1 A 50 50 GLN HA H 412 4.403 4.077 0.326 1
1 519 . 22 1 1 A 50 50 GLN CA C 412 55.872 58.829 -2.957 1
1 520 . 22 1 1 A 50 50 GLN CB C 412 29.678 28.936 0.742 1
1 522 . 22 1 1 A 50 50 GLN N N 412 119.972 118.654 1.318 1
1 524 . 22 1 1 A 51 51 ASP H H 413 8.533 8.175 0.358 1
1 525 . 22 1 1 A 51 51 ASP HA H 413 4.646 4.643 0.003 1
1 528 . 22 1 1 A 51 51 ASP CA C 413 54.459 52.788 1.671 1
1 529 . 22 1 1 A 51 51 ASP CB C 413 41.215 40.413 0.802 1
1 530 . 22 1 1 A 51 51 ASP N N 413 121.378 114.936 6.442 1
1 531 . 22 1 1 A 52 52 GLU H H 414 8.457 7.581 0.876 1
1 532 . 22 1 1 A 52 52 GLU HA H 414 4.392 4.599 -0.207 1
1 537 . 22 1 1 A 52 52 GLU CA C 414 56.700 55.433 1.267 1
1 538 . 22 1 1 A 52 52 GLU CB C 414 30.238 30.054 0.184 1
1 540 . 22 1 1 A 52 52 GLU N N 414 121.491 120.195 1.296 1
1 541 . 22 1 1 A 53 53 THR H H 415 8.263 7.899 0.364 1
1 542 . 22 1 1 A 53 53 THR HA H 415 4.306 4.607 -0.301 1
1 547 . 22 1 1 A 53 53 THR CA C 415 62.113 60.210 1.903 1
1 548 . 22 1 1 A 53 53 THR CB C 415 69.912 68.772 1.140 1
1 550 . 22 1 1 A 53 53 THR N N 415 114.960 112.580 2.380 1
1 551 . 22 1 1 A 54 54 ASP H H 416 8.279 8.505 -0.226 1
1 552 . 22 1 1 A 54 54 ASP HA H 416 4.661 5.014 -0.353 1
1 555 . 22 1 1 A 54 54 ASP CA C 416 53.775 52.834 0.941 1
1 556 . 22 1 1 A 54 54 ASP CB C 416 41.188 40.764 0.424 1
1 557 . 22 1 1 A 54 54 ASP N N 416 123.335 123.851 -0.516 1
1 1 . 23 1 1 A 2 2 PRO HA H 364 4.519 4.611 -0.092 1
1 8 . 23 1 1 A 2 2 PRO CA C 364 63.238 62.647 0.591 1
1 9 . 23 1 1 A 2 2 PRO CB C 364 32.338 33.203 -0.865 1
1 12 . 23 1 1 A 3 3 LEU H H 365 8.557 8.691 -0.134 1
1 13 . 23 1 1 A 3 3 LEU HA H 365 4.406 4.585 -0.179 1
1 23 . 23 1 1 A 3 3 LEU CA C 365 55.436 53.971 1.465 1
1 24 . 23 1 1 A 3 3 LEU CB C 365 42.304 43.473 -1.169 1
1 28 . 23 1 1 A 3 3 LEU N N 365 122.297 121.597 0.700 1
1 29 . 23 1 1 A 4 4 GLY H H 366 8.443 8.659 -0.216 1
1 30 . 23 1 1 A 4 4 GLY HA2 H 366 4.040 4.035 0.005 1
1 31 . 23 1 1 A 4 4 GLY HA3 H 366 4.056 4.036 0.020 1
1 32 . 23 1 1 A 4 4 GLY CA C 366 45.361 46.456 -1.095 1
1 33 . 23 1 1 A 4 4 GLY N N 366 110.040 114.509 -4.469 1
1 34 . 23 1 1 A 5 5 SER H H 367 8.374 8.170 0.204 1
1 35 . 23 1 1 A 5 5 SER HA H 367 4.521 4.659 -0.138 1
1 38 . 23 1 1 A 5 5 SER CA C 367 58.573 59.522 -0.949 1
1 39 . 23 1 1 A 5 5 SER CB C 367 64.058 65.116 -1.058 1
1 40 . 23 1 1 A 5 5 SER N N 367 116.007 113.391 2.616 1
1 41 . 23 1 1 A 6 6 GLY H H 368 8.639 7.924 0.715 1
1 42 . 23 1 1 A 6 6 GLY HA2 H 368 4.095 3.981 0.114 1
1 43 . 23 1 1 A 6 6 GLY HA3 H 368 4.067 3.985 0.082 1
1 44 . 23 1 1 A 6 6 GLY CA C 368 45.494 46.106 -0.612 1
1 45 . 23 1 1 A 6 6 GLY N N 368 111.362 108.168 3.194 1
1 46 . 23 1 1 A 7 7 SER H H 369 8.313 8.325 -0.012 1
1 47 . 23 1 1 A 7 7 SER HA H 369 4.516 5.348 -0.832 1
1 50 . 23 1 1 A 7 7 SER CA C 369 58.583 56.727 1.856 1
1 51 . 23 1 1 A 7 7 SER CB C 369 63.973 65.277 -1.304 1
1 52 . 23 1 1 A 7 7 SER N N 369 115.885 118.498 -2.613 1
1 53 . 23 1 1 A 8 8 GLU H H 370 8.630 9.023 -0.393 1
1 54 . 23 1 1 A 8 8 GLU HA H 370 4.330 4.799 -0.469 1
1 59 . 23 1 1 A 8 8 GLU CA C 370 57.138 55.510 1.628 1
1 60 . 23 1 1 A 8 8 GLU CB C 370 29.984 30.128 -0.144 1
1 62 . 23 1 1 A 8 8 GLU N N 370 122.682 123.695 -1.013 1
1 63 . 23 1 1 A 9 9 GLY H H 371 8.394 8.407 -0.013 1
1 64 . 23 1 1 A 9 9 GLY HA2 H 371 3.976 4.214 -0.238 1
1 65 . 23 1 1 A 9 9 GLY HA3 H 371 3.976 4.235 -0.259 1
1 66 . 23 1 1 A 9 9 GLY CA C 371 45.469 45.710 -0.241 1
1 67 . 23 1 1 A 9 9 GLY N N 371 109.245 110.880 -1.635 1
1 68 . 23 1 1 A 10 10 ASN H H 372 8.283 7.971 0.312 1
1 69 . 23 1 1 A 10 10 ASN HA H 372 4.732 5.007 -0.275 1
1 74 . 23 1 1 A 10 10 ASN CA C 372 53.263 54.183 -0.920 1
1 75 . 23 1 1 A 10 10 ASN CB C 372 38.961 41.227 -2.266 1
1 76 . 23 1 1 A 10 10 ASN N N 372 118.662 116.265 2.397 1
1 78 . 23 1 1 A 11 11 LYS H H 373 8.264 7.953 0.311 1
1 79 . 23 1 1 A 11 11 LYS HA H 373 4.360 4.420 -0.060 1
1 88 . 23 1 1 A 11 11 LYS CA C 373 56.413 55.629 0.784 1
1 89 . 23 1 1 A 11 11 LYS CB C 373 33.054 32.780 0.274 1
1 93 . 23 1 1 A 11 11 LYS N N 373 121.729 118.861 2.868 1
1 94 . 23 1 1 A 12 12 VAL H H 374 8.114 7.681 0.433 1
1 95 . 23 1 1 A 12 12 VAL HA H 374 4.086 4.768 -0.682 1
1 103 . 23 1 1 A 12 12 VAL CA C 374 62.169 60.130 2.039 1
1 104 . 23 1 1 A 12 12 VAL CB C 374 32.862 36.306 -3.444 1
1 107 . 23 1 1 A 12 12 VAL N N 374 121.704 120.367 1.337 1
1 108 . 23 1 1 A 13 13 LYS H H 375 8.415 8.452 -0.037 1
1 109 . 23 1 1 A 13 13 LYS HA H 375 4.383 4.694 -0.311 1
1 118 . 23 1 1 A 13 13 LYS CA C 375 55.989 55.419 0.570 1
1 119 . 23 1 1 A 13 13 LYS CB C 375 33.159 32.767 0.392 1
1 123 . 23 1 1 A 13 13 LYS N N 375 126.419 124.487 1.932 1
1 124 . 23 1 1 A 14 14 ARG H H 376 8.753 8.472 0.281 1
1 125 . 23 1 1 A 14 14 ARG HA H 376 4.363 4.451 -0.088 1
1 132 . 23 1 1 A 14 14 ARG CA C 376 56.293 56.103 0.190 1
1 133 . 23 1 1 A 14 14 ARG CB C 376 32.331 31.139 1.192 1
1 136 . 23 1 1 A 14 14 ARG N N 376 123.397 124.949 -1.552 1
1 137 . 23 1 1 A 15 15 THR H H 377 8.081 8.475 -0.394 1
1 138 . 23 1 1 A 15 15 THR HA H 377 4.398 4.471 -0.073 1
1 143 . 23 1 1 A 15 15 THR CA C 377 61.533 61.930 -0.397 1
1 144 . 23 1 1 A 15 15 THR CB C 377 70.409 69.683 0.726 1
1 146 . 23 1 1 A 15 15 THR N N 377 117.600 117.669 -0.069 1
1 147 . 23 1 1 A 16 16 SER H H 378 8.614 8.706 -0.092 1
1 148 . 23 1 1 A 16 16 SER HA H 378 4.853 5.225 -0.372 1
1 151 . 23 1 1 A 16 16 SER CA C 378 59.098 56.834 2.264 1
1 152 . 23 1 1 A 16 16 SER CB C 378 63.763 64.569 -0.806 1
1 153 . 23 1 1 A 16 16 SER N N 378 121.120 119.610 1.510 1
1 154 . 23 1 1 A 17 17 CYS H H 379 9.252 8.610 0.642 1
1 155 . 23 1 1 A 17 17 CYS HA H 379 3.994 4.077 -0.083 1
1 158 . 23 1 1 A 17 17 CYS CA C 379 60.962 59.571 1.391 1
1 159 . 23 1 1 A 17 17 CYS CB C 379 29.581 28.904 0.677 1
1 160 . 23 1 1 A 17 17 CYS N N 379 127.790 124.580 3.210 1
1 161 . 23 1 1 A 18 18 MET H H 380 8.831 8.674 0.157 1
1 162 . 23 1 1 A 18 18 MET HA H 380 4.212 4.048 0.164 1
1 170 . 23 1 1 A 18 18 MET CA C 380 58.209 58.791 -0.582 1
1 171 . 23 1 1 A 18 18 MET CB C 380 31.936 31.911 0.025 1
1 174 . 23 1 1 A 18 18 MET N N 380 130.017 125.103 4.914 1
1 175 . 23 1 1 A 19 19 TYR H H 381 8.701 7.849 0.852 1
1 176 . 23 1 1 A 19 19 TYR HA H 381 4.579 4.440 0.139 1
1 183 . 23 1 1 A 19 19 TYR CA C 381 58.762 60.498 -1.736 1
1 184 . 23 1 1 A 19 19 TYR CB C 381 37.595 38.333 -0.738 1
1 189 . 23 1 1 A 19 19 TYR N N 381 120.369 118.412 1.957 1
1 190 . 23 1 1 A 20 20 GLY H H 382 7.760 8.148 -0.388 1
1 191 . 23 1 1 A 20 20 GLY HA2 H 382 3.710 3.968 -0.258 1
1 192 . 23 1 1 A 20 20 GLY HA3 H 382 4.085 4.000 0.085 1
1 193 . 23 1 1 A 20 20 GLY CA C 382 47.627 47.483 0.144 1
1 194 . 23 1 1 A 20 20 GLY N N 382 107.481 108.374 -0.893 1
1 195 . 23 1 1 A 21 21 ALA H H 383 9.248 8.522 0.726 1
1 196 . 23 1 1 A 21 21 ALA HA H 383 4.354 4.405 -0.051 1
1 200 . 23 1 1 A 21 21 ALA CA C 383 53.398 52.160 1.238 1
1 201 . 23 1 1 A 21 21 ALA CB C 383 18.808 19.552 -0.744 1
1 202 . 23 1 1 A 21 21 ALA N N 383 128.449 129.272 -0.823 1
1 203 . 23 1 1 A 22 22 ASN H H 384 8.261 8.194 0.067 1
1 204 . 23 1 1 A 22 22 ASN HA H 384 4.944 5.097 -0.153 1
1 209 . 23 1 1 A 22 22 ASN CA C 384 52.140 52.708 -0.568 1
1 210 . 23 1 1 A 22 22 ASN CB C 384 38.940 40.030 -1.090 1
1 211 . 23 1 1 A 22 22 ASN N N 384 115.516 116.156 -0.640 1
1 213 . 23 1 1 A 23 23 CYS H H 385 7.174 7.628 -0.454 1
1 214 . 23 1 1 A 23 23 CYS HA H 385 3.736 3.882 -0.146 1
1 217 . 23 1 1 A 23 23 CYS CA C 385 61.867 59.806 2.061 1
1 218 . 23 1 1 A 23 23 CYS CB C 385 29.434 28.421 1.013 1
1 219 . 23 1 1 A 23 23 CYS N N 385 121.580 120.258 1.322 1
1 220 . 23 1 1 A 24 24 TYR H H 386 7.680 7.853 -0.173 1
1 221 . 23 1 1 A 24 24 TYR HA H 386 4.858 4.601 0.257 1
1 228 . 23 1 1 A 24 24 TYR CA C 386 56.348 57.291 -0.943 1
1 229 . 23 1 1 A 24 24 TYR CB C 386 38.216 39.767 -1.551 1
1 234 . 23 1 1 A 24 24 TYR N N 386 126.676 122.561 4.115 1
1 235 . 23 1 1 A 25 25 ARG H H 387 7.988 6.335 1.653 1
1 236 . 23 1 1 A 25 25 ARG HA H 387 4.054 4.149 -0.095 1
1 243 . 23 1 1 A 25 25 ARG CA C 387 56.282 55.753 0.529 1
1 244 . 23 1 1 A 25 25 ARG CB C 387 29.894 30.256 -0.362 1
1 247 . 23 1 1 A 25 25 ARG N N 387 123.491 119.866 3.625 1
1 248 . 23 1 1 A 26 26 LYS H H 388 8.951 8.682 0.269 1
1 249 . 23 1 1 A 26 26 LYS HA H 388 4.635 4.606 0.029 1
1 258 . 23 1 1 A 26 26 LYS CA C 388 55.605 55.298 0.307 1
1 259 . 23 1 1 A 26 26 LYS CB C 388 34.387 32.310 2.077 1
1 263 . 23 1 1 A 26 26 LYS N N 388 118.569 116.890 1.679 1
1 264 . 23 1 1 A 27 27 ASN H H 389 8.400 7.543 0.857 1
1 265 . 23 1 1 A 27 27 ASN HA H 389 4.950 5.122 -0.172 1
1 270 . 23 1 1 A 27 27 ASN CA C 389 51.827 49.736 2.091 1
1 271 . 23 1 1 A 27 27 ASN CB C 389 39.171 39.523 -0.352 1
1 272 . 23 1 1 A 27 27 ASN N N 389 122.702 118.456 4.246 1
1 274 . 23 1 1 A 28 28 PRO HA H 390 4.595 4.676 -0.081 1
1 281 . 23 1 1 A 28 28 PRO CA C 390 65.632 66.199 -0.567 1
1 282 . 23 1 1 A 28 28 PRO CB C 390 32.574 31.611 0.963 1
1 285 . 23 1 1 A 29 29 VAL H H 391 8.337 7.824 0.513 1
1 286 . 23 1 1 A 29 29 VAL HA H 391 3.818 4.129 -0.311 1
1 294 . 23 1 1 A 29 29 VAL CA C 391 65.608 65.566 0.042 1
1 295 . 23 1 1 A 29 29 VAL CB C 391 31.546 31.598 -0.052 1
1 298 . 23 1 1 A 29 29 VAL N N 391 117.431 115.743 1.688 1
1 299 . 23 1 1 A 30 30 HIS H H 392 8.037 8.097 -0.060 1
1 300 . 23 1 1 A 30 30 HIS HA H 392 4.565 4.074 0.491 1
1 305 . 23 1 1 A 30 30 HIS CA C 392 60.297 59.114 1.183 1
1 306 . 23 1 1 A 30 30 HIS CB C 392 27.700 29.575 -1.875 1
1 309 . 23 1 1 A 30 30 HIS N N 392 120.267 119.446 0.821 1
1 310 . 23 1 1 A 31 31 PHE H H 393 7.059 8.462 -1.403 1
1 311 . 23 1 1 A 31 31 PHE HA H 393 4.465 4.408 0.057 1
1 319 . 23 1 1 A 31 31 PHE CA C 393 59.951 61.643 -1.692 1
1 320 . 23 1 1 A 31 31 PHE CB C 393 38.577 38.349 0.228 1
1 326 . 23 1 1 A 31 31 PHE N N 393 114.802 118.301 -3.499 1
1 327 . 23 1 1 A 32 32 GLN H H 394 7.671 7.917 -0.246 1
1 328 . 23 1 1 A 32 32 GLN HA H 394 4.261 4.263 -0.002 1
1 335 . 23 1 1 A 32 32 GLN CA C 394 57.393 58.849 -1.456 1
1 336 . 23 1 1 A 32 32 GLN CB C 394 28.710 28.522 0.188 1
1 338 . 23 1 1 A 32 32 GLN N N 394 117.129 119.158 -2.029 1
1 340 . 23 1 1 A 33 33 HIS H H 395 7.581 7.755 -0.174 1
1 341 . 23 1 1 A 33 33 HIS HA H 395 4.498 4.075 0.423 1
1 346 . 23 1 1 A 33 33 HIS CA C 395 56.467 58.194 -1.727 1
1 347 . 23 1 1 A 33 33 HIS CB C 395 31.398 30.144 1.254 1
1 350 . 23 1 1 A 33 33 HIS N N 395 115.481 115.933 -0.452 1
1 351 . 23 1 1 A 34 34 PHE H H 396 8.044 7.499 0.545 1
1 352 . 23 1 1 A 34 34 PHE HA H 396 5.398 5.084 0.314 1
1 360 . 23 1 1 A 34 34 PHE CA C 396 56.318 56.286 0.032 1
1 361 . 23 1 1 A 34 34 PHE CB C 396 41.617 42.395 -0.778 1
1 367 . 23 1 1 A 34 34 PHE N N 396 117.547 115.871 1.676 1
1 368 . 23 1 1 A 35 35 SER H H 397 8.603 9.816 -1.213 1
1 369 . 23 1 1 A 35 35 SER HA H 397 4.769 4.861 -0.092 1
1 372 . 23 1 1 A 35 35 SER CA C 397 56.350 58.519 -2.169 1
1 373 . 23 1 1 A 35 35 SER CB C 397 65.912 64.252 1.660 1
1 374 . 23 1 1 A 35 35 SER N N 397 114.732 119.215 -4.483 1
1 375 . 23 1 1 A 36 36 HIS H H 398 9.538 8.800 0.738 1
1 376 . 23 1 1 A 36 36 HIS HA H 398 4.572 5.171 -0.599 1
1 381 . 23 1 1 A 36 36 HIS CA C 398 56.432 53.910 2.522 1
1 382 . 23 1 1 A 36 36 HIS CB C 398 29.935 32.962 -3.027 1
1 385 . 23 1 1 A 36 36 HIS N N 398 120.612 119.236 1.376 1
1 386 . 23 1 1 A 37 37 PRO HA H 399 3.457 2.796 0.661 1
1 393 . 23 1 1 A 37 37 PRO CA C 399 64.278 63.035 1.243 1
1 394 . 23 1 1 A 37 37 PRO CB C 399 30.979 30.962 0.017 1
1 397 . 23 1 1 A 38 38 GLY H H 400 8.832 8.594 0.238 1
1 398 . 23 1 1 A 38 38 GLY HA2 H 400 3.593 3.823 -0.230 1
1 399 . 23 1 1 A 38 38 GLY HA3 H 400 4.522 3.833 0.689 1
1 400 . 23 1 1 A 38 38 GLY CA C 400 44.843 45.215 -0.372 1
1 401 . 23 1 1 A 38 38 GLY N N 400 115.162 111.994 3.168 1
1 402 . 23 1 1 A 39 39 ASP H H 401 8.505 7.501 1.004 1
1 403 . 23 1 1 A 39 39 ASP HA H 401 4.938 4.877 0.061 1
1 406 . 23 1 1 A 39 39 ASP CA C 401 54.320 53.025 1.295 1
1 407 . 23 1 1 A 39 39 ASP CB C 401 41.893 42.985 -1.092 1
1 408 . 23 1 1 A 39 39 ASP N N 401 121.905 121.028 0.877 1
1 409 . 23 1 1 A 40 40 SER H H 402 9.378 9.016 0.362 1
1 410 . 23 1 1 A 40 40 SER HA H 402 4.281 4.188 0.093 1
1 413 . 23 1 1 A 40 40 SER CA C 402 61.078 61.192 -0.114 1
1 414 . 23 1 1 A 40 40 SER CB C 402 62.829 62.729 0.100 1
1 415 . 23 1 1 A 40 40 SER N N 402 119.493 118.496 0.997 1
1 416 . 23 1 1 A 41 41 ASP H H 403 8.924 7.914 1.010 1
1 417 . 23 1 1 A 41 41 ASP HA H 403 4.697 4.686 0.011 1
1 420 . 23 1 1 A 41 41 ASP CA C 403 52.287 54.592 -2.305 1
1 421 . 23 1 1 A 41 41 ASP CB C 403 39.077 41.536 -2.459 1
1 422 . 23 1 1 A 41 41 ASP N N 403 116.599 118.981 -2.382 1
1 423 . 23 1 1 A 42 42 TYR H H 404 7.427 7.718 -0.291 1
1 424 . 23 1 1 A 42 42 TYR HA H 404 4.452 4.302 0.150 1
1 431 . 23 1 1 A 42 42 TYR CA C 404 59.218 59.926 -0.708 1
1 432 . 23 1 1 A 42 42 TYR CB C 404 39.543 39.006 0.537 1
1 437 . 23 1 1 A 42 42 TYR N N 404 122.560 122.915 -0.355 1
1 438 . 23 1 1 A 43 43 GLY H H 405 7.715 8.198 -0.483 1
1 439 . 23 1 1 A 43 43 GLY HA2 H 405 3.743 3.885 -0.142 1
1 440 . 23 1 1 A 43 43 GLY HA3 H 405 3.704 4.047 -0.343 1
1 441 . 23 1 1 A 43 43 GLY CA C 405 45.100 45.590 -0.490 1
1 442 . 23 1 1 A 43 43 GLY N N 405 114.997 112.762 2.235 1
1 443 . 23 1 1 A 44 44 GLY H H 406 7.088 7.653 -0.565 1
1 444 . 23 1 1 A 44 44 GLY HA2 H 406 3.887 3.914 -0.027 1
1 445 . 23 1 1 A 44 44 GLY HA3 H 406 3.887 3.928 -0.041 1
1 446 . 23 1 1 A 44 44 GLY CA C 406 45.011 46.211 -1.200 1
1 447 . 23 1 1 A 44 44 GLY N N 406 107.744 108.836 -1.092 1
1 448 . 23 1 1 A 45 45 VAL H H 407 8.064 7.805 0.259 1
1 449 . 23 1 1 A 45 45 VAL HA H 407 4.147 3.691 0.456 1
1 457 . 23 1 1 A 45 45 VAL CA C 407 62.222 62.686 -0.464 1
1 458 . 23 1 1 A 45 45 VAL CB C 407 32.899 29.767 3.132 1
1 461 . 23 1 1 A 45 45 VAL N N 407 119.029 114.972 4.057 1
1 462 . 23 1 1 A 46 46 GLN H H 408 8.506 7.808 0.698 1
1 463 . 23 1 1 A 46 46 GLN HA H 408 4.433 4.660 -0.227 1
1 470 . 23 1 1 A 46 46 GLN CA C 408 55.631 54.594 1.037 1
1 471 . 23 1 1 A 46 46 GLN CB C 408 29.682 29.272 0.410 1
1 473 . 23 1 1 A 46 46 GLN N N 408 124.737 119.129 5.608 1
1 475 . 23 1 1 A 47 47 ILE H H 409 8.330 9.058 -0.728 1
1 476 . 23 1 1 A 47 47 ILE HA H 409 4.237 4.516 -0.279 1
1 486 . 23 1 1 A 47 47 ILE CA C 409 60.885 60.585 0.300 1
1 487 . 23 1 1 A 47 47 ILE CB C 409 38.690 37.184 1.506 1
1 491 . 23 1 1 A 47 47 ILE N N 409 123.582 126.400 -2.818 1
1 492 . 23 1 1 A 48 48 VAL H H 410 8.298 8.608 -0.310 1
1 493 . 23 1 1 A 48 48 VAL HA H 410 4.183 4.332 -0.149 1
1 501 . 23 1 1 A 48 48 VAL CA C 410 62.351 61.105 1.246 1
1 502 . 23 1 1 A 48 48 VAL CB C 410 32.841 32.013 0.828 1
1 505 . 23 1 1 A 48 48 VAL N N 410 125.073 128.123 -3.050 1
1 506 . 23 1 1 A 49 49 GLY H H 411 8.609 7.823 0.786 1
1 507 . 23 1 1 A 49 49 GLY HA2 H 411 4.032 4.018 0.014 1
1 508 . 23 1 1 A 49 49 GLY HA3 H 411 4.008 4.020 -0.012 1
1 509 . 23 1 1 A 49 49 GLY CA C 411 45.281 46.235 -0.954 1
1 510 . 23 1 1 A 49 49 GLY N N 411 113.133 113.137 -0.004 1
1 511 . 23 1 1 A 50 50 GLN H H 412 8.317 8.317 0.000 1
1 512 . 23 1 1 A 50 50 GLN HA H 412 4.403 4.017 0.386 1
1 519 . 23 1 1 A 50 50 GLN CA C 412 55.872 58.928 -3.056 1
1 520 . 23 1 1 A 50 50 GLN CB C 412 29.678 28.598 1.080 1
1 522 . 23 1 1 A 50 50 GLN N N 412 119.972 118.594 1.378 1
1 524 . 23 1 1 A 51 51 ASP H H 413 8.533 8.260 0.273 1
1 525 . 23 1 1 A 51 51 ASP HA H 413 4.646 4.795 -0.149 1
1 528 . 23 1 1 A 51 51 ASP CA C 413 54.459 53.463 0.996 1
1 529 . 23 1 1 A 51 51 ASP CB C 413 41.215 41.326 -0.111 1
1 530 . 23 1 1 A 51 51 ASP N N 413 121.378 116.389 4.989 1
1 531 . 23 1 1 A 52 52 GLU H H 414 8.457 7.937 0.520 1
1 532 . 23 1 1 A 52 52 GLU HA H 414 4.392 4.639 -0.247 1
1 537 . 23 1 1 A 52 52 GLU CA C 414 56.700 55.480 1.220 1
1 538 . 23 1 1 A 52 52 GLU CB C 414 30.238 29.980 0.258 1
1 540 . 23 1 1 A 52 52 GLU N N 414 121.491 118.909 2.582 1
1 541 . 23 1 1 A 53 53 THR H H 415 8.263 7.686 0.577 1
1 542 . 23 1 1 A 53 53 THR HA H 415 4.306 4.598 -0.292 1
1 547 . 23 1 1 A 53 53 THR CA C 415 62.113 60.900 1.213 1
1 548 . 23 1 1 A 53 53 THR CB C 415 69.912 69.332 0.580 1
1 550 . 23 1 1 A 53 53 THR N N 415 114.960 116.118 -1.158 1
1 551 . 23 1 1 A 54 54 ASP H H 416 8.279 8.442 -0.163 1
1 552 . 23 1 1 A 54 54 ASP HA H 416 4.661 4.936 -0.275 1
1 555 . 23 1 1 A 54 54 ASP CA C 416 53.775 53.841 -0.066 1
1 556 . 23 1 1 A 54 54 ASP CB C 416 41.188 41.466 -0.278 1
1 557 . 23 1 1 A 54 54 ASP N N 416 123.335 126.195 -2.860 1
1 1 . 24 1 1 A 2 2 PRO HA H 364 4.519 4.431 0.088 1
1 8 . 24 1 1 A 2 2 PRO CA C 364 63.238 64.660 -1.422 1
1 9 . 24 1 1 A 2 2 PRO CB C 364 32.338 32.172 0.166 1
1 12 . 24 1 1 A 3 3 LEU H H 365 8.557 7.965 0.592 1
1 13 . 24 1 1 A 3 3 LEU HA H 365 4.406 4.648 -0.242 1
1 23 . 24 1 1 A 3 3 LEU CA C 365 55.436 53.414 2.022 1
1 24 . 24 1 1 A 3 3 LEU CB C 365 42.304 43.105 -0.801 1
1 28 . 24 1 1 A 3 3 LEU N N 365 122.297 116.641 5.656 1
1 29 . 24 1 1 A 4 4 GLY H H 366 8.443 8.249 0.194 1
1 30 . 24 1 1 A 4 4 GLY HA2 H 366 4.040 4.172 -0.132 1
1 31 . 24 1 1 A 4 4 GLY HA3 H 366 4.056 4.173 -0.117 1
1 32 . 24 1 1 A 4 4 GLY CA C 366 45.361 44.390 0.971 1
1 33 . 24 1 1 A 4 4 GLY N N 366 110.040 113.650 -3.610 1
1 34 . 24 1 1 A 5 5 SER H H 367 8.374 8.270 0.104 1
1 35 . 24 1 1 A 5 5 SER HA H 367 4.521 5.257 -0.736 1
1 38 . 24 1 1 A 5 5 SER CA C 367 58.573 56.208 2.365 1
1 39 . 24 1 1 A 5 5 SER CB C 367 64.058 66.097 -2.039 1
1 40 . 24 1 1 A 5 5 SER N N 367 116.007 114.411 1.596 1
1 41 . 24 1 1 A 6 6 GLY H H 368 8.639 8.448 0.191 1
1 42 . 24 1 1 A 6 6 GLY HA2 H 368 4.095 4.136 -0.041 1
1 43 . 24 1 1 A 6 6 GLY HA3 H 368 4.067 4.159 -0.092 1
1 44 . 24 1 1 A 6 6 GLY CA C 368 45.494 44.988 0.506 1
1 45 . 24 1 1 A 6 6 GLY N N 368 111.362 109.418 1.944 1
1 46 . 24 1 1 A 7 7 SER H H 369 8.313 8.856 -0.543 1
1 47 . 24 1 1 A 7 7 SER HA H 369 4.516 5.577 -1.061 1
1 50 . 24 1 1 A 7 7 SER CA C 369 58.583 56.340 2.243 1
1 51 . 24 1 1 A 7 7 SER CB C 369 63.973 65.596 -1.623 1
1 52 . 24 1 1 A 7 7 SER N N 369 115.885 118.543 -2.658 1
1 53 . 24 1 1 A 8 8 GLU H H 370 8.630 8.880 -0.250 1
1 54 . 24 1 1 A 8 8 GLU HA H 370 4.330 5.079 -0.749 1
1 59 . 24 1 1 A 8 8 GLU CA C 370 57.138 54.652 2.486 1
1 60 . 24 1 1 A 8 8 GLU CB C 370 29.984 32.838 -2.854 1
1 62 . 24 1 1 A 8 8 GLU N N 370 122.682 122.072 0.610 1
1 63 . 24 1 1 A 9 9 GLY H H 371 8.394 8.800 -0.406 1
1 64 . 24 1 1 A 9 9 GLY HA2 H 371 3.976 3.808 0.168 1
1 65 . 24 1 1 A 9 9 GLY HA3 H 371 3.976 3.842 0.134 1
1 66 . 24 1 1 A 9 9 GLY CA C 371 45.469 47.228 -1.759 1
1 67 . 24 1 1 A 9 9 GLY N N 371 109.245 108.213 1.032 1
1 68 . 24 1 1 A 10 10 ASN H H 372 8.283 7.767 0.516 1
1 69 . 24 1 1 A 10 10 ASN HA H 372 4.732 5.060 -0.328 1
1 74 . 24 1 1 A 10 10 ASN CA C 372 53.263 52.087 1.176 1
1 75 . 24 1 1 A 10 10 ASN CB C 372 38.961 39.486 -0.525 1
1 76 . 24 1 1 A 10 10 ASN N N 372 118.662 115.253 3.409 1
1 78 . 24 1 1 A 11 11 LYS H H 373 8.264 7.967 0.297 1
1 79 . 24 1 1 A 11 11 LYS HA H 373 4.360 3.835 0.525 1
1 88 . 24 1 1 A 11 11 LYS CA C 373 56.413 57.292 -0.879 1
1 89 . 24 1 1 A 11 11 LYS CB C 373 33.054 29.838 3.216 1
1 93 . 24 1 1 A 11 11 LYS N N 373 121.729 115.144 6.585 1
1 94 . 24 1 1 A 12 12 VAL H H 374 8.114 7.786 0.328 1
1 95 . 24 1 1 A 12 12 VAL HA H 374 4.086 4.734 -0.648 1
1 103 . 24 1 1 A 12 12 VAL CA C 374 62.169 59.627 2.542 1
1 104 . 24 1 1 A 12 12 VAL CB C 374 32.862 35.778 -2.916 1
1 107 . 24 1 1 A 12 12 VAL N N 374 121.704 117.844 3.860 1
1 108 . 24 1 1 A 13 13 LYS H H 375 8.415 8.274 0.141 1
1 109 . 24 1 1 A 13 13 LYS HA H 375 4.383 4.370 0.013 1
1 118 . 24 1 1 A 13 13 LYS CA C 375 55.989 56.086 -0.097 1
1 119 . 24 1 1 A 13 13 LYS CB C 375 33.159 31.731 1.428 1
1 123 . 24 1 1 A 13 13 LYS N N 375 126.419 125.657 0.762 1
1 124 . 24 1 1 A 14 14 ARG H H 376 8.753 8.082 0.671 1
1 125 . 24 1 1 A 14 14 ARG HA H 376 4.363 4.267 0.096 1
1 132 . 24 1 1 A 14 14 ARG CA C 376 56.293 56.655 -0.362 1
1 133 . 24 1 1 A 14 14 ARG CB C 376 32.331 30.948 1.383 1
1 136 . 24 1 1 A 14 14 ARG N N 376 123.397 124.660 -1.263 1
1 137 . 24 1 1 A 15 15 THR H H 377 8.081 8.275 -0.194 1
1 138 . 24 1 1 A 15 15 THR HA H 377 4.398 4.389 0.009 1
1 143 . 24 1 1 A 15 15 THR CA C 377 61.533 62.563 -1.030 1
1 144 . 24 1 1 A 15 15 THR CB C 377 70.409 69.680 0.729 1
1 146 . 24 1 1 A 15 15 THR N N 377 117.600 117.401 0.199 1
1 147 . 24 1 1 A 16 16 SER H H 378 8.614 8.488 0.126 1
1 148 . 24 1 1 A 16 16 SER HA H 378 4.853 4.410 0.443 1
1 151 . 24 1 1 A 16 16 SER CA C 378 59.098 58.749 0.349 1
1 152 . 24 1 1 A 16 16 SER CB C 378 63.763 63.757 0.006 1
1 153 . 24 1 1 A 16 16 SER N N 378 121.120 121.186 -0.066 1
1 154 . 24 1 1 A 17 17 CYS H H 379 9.252 8.247 1.005 1
1 155 . 24 1 1 A 17 17 CYS HA H 379 3.994 4.609 -0.615 1
1 158 . 24 1 1 A 17 17 CYS CA C 379 60.962 58.711 2.251 1
1 159 . 24 1 1 A 17 17 CYS CB C 379 29.581 28.535 1.046 1
1 160 . 24 1 1 A 17 17 CYS N N 379 127.790 124.117 3.673 1
1 161 . 24 1 1 A 18 18 MET H H 380 8.831 8.565 0.266 1
1 162 . 24 1 1 A 18 18 MET HA H 380 4.212 4.108 0.104 1
1 170 . 24 1 1 A 18 18 MET CA C 380 58.209 57.971 0.238 1
1 171 . 24 1 1 A 18 18 MET CB C 380 31.936 31.394 0.542 1
1 174 . 24 1 1 A 18 18 MET N N 380 130.017 125.306 4.711 1
1 175 . 24 1 1 A 19 19 TYR H H 381 8.701 7.717 0.984 1
1 176 . 24 1 1 A 19 19 TYR HA H 381 4.579 4.612 -0.033 1
1 183 . 24 1 1 A 19 19 TYR CA C 381 58.762 58.441 0.321 1
1 184 . 24 1 1 A 19 19 TYR CB C 381 37.595 38.871 -1.276 1
1 189 . 24 1 1 A 19 19 TYR N N 381 120.369 117.145 3.224 1
1 190 . 24 1 1 A 20 20 GLY H H 382 7.760 8.244 -0.484 1
1 191 . 24 1 1 A 20 20 GLY HA2 H 382 3.710 3.991 -0.281 1
1 192 . 24 1 1 A 20 20 GLY HA3 H 382 4.085 4.033 0.052 1
1 193 . 24 1 1 A 20 20 GLY CA C 382 47.627 47.411 0.216 1
1 194 . 24 1 1 A 20 20 GLY N N 382 107.481 108.506 -1.025 1
1 195 . 24 1 1 A 21 21 ALA H H 383 9.248 8.368 0.880 1
1 196 . 24 1 1 A 21 21 ALA HA H 383 4.354 4.401 -0.047 1
1 200 . 24 1 1 A 21 21 ALA CA C 383 53.398 52.217 1.181 1
1 201 . 24 1 1 A 21 21 ALA CB C 383 18.808 19.680 -0.872 1
1 202 . 24 1 1 A 21 21 ALA N N 383 128.449 129.257 -0.808 1
1 203 . 24 1 1 A 22 22 ASN H H 384 8.261 7.936 0.325 1
1 204 . 24 1 1 A 22 22 ASN HA H 384 4.944 4.982 -0.038 1
1 209 . 24 1 1 A 22 22 ASN CA C 384 52.140 53.017 -0.877 1
1 210 . 24 1 1 A 22 22 ASN CB C 384 38.940 39.713 -0.773 1
1 211 . 24 1 1 A 22 22 ASN N N 384 115.516 115.670 -0.154 1
1 213 . 24 1 1 A 23 23 CYS H H 385 7.174 7.657 -0.483 1
1 214 . 24 1 1 A 23 23 CYS HA H 385 3.736 4.066 -0.330 1
1 217 . 24 1 1 A 23 23 CYS CA C 385 61.867 60.034 1.833 1
1 218 . 24 1 1 A 23 23 CYS CB C 385 29.434 28.458 0.976 1
1 219 . 24 1 1 A 23 23 CYS N N 385 121.580 120.355 1.225 1
1 220 . 24 1 1 A 24 24 TYR H H 386 7.680 8.086 -0.406 1
1 221 . 24 1 1 A 24 24 TYR HA H 386 4.858 4.643 0.215 1
1 228 . 24 1 1 A 24 24 TYR CA C 386 56.348 57.439 -1.091 1
1 229 . 24 1 1 A 24 24 TYR CB C 386 38.216 39.733 -1.517 1
1 234 . 24 1 1 A 24 24 TYR N N 386 126.676 122.890 3.786 1
1 235 . 24 1 1 A 25 25 ARG H H 387 7.988 6.398 1.590 1
1 236 . 24 1 1 A 25 25 ARG HA H 387 4.054 4.239 -0.185 1
1 243 . 24 1 1 A 25 25 ARG CA C 387 56.282 55.511 0.771 1
1 244 . 24 1 1 A 25 25 ARG CB C 387 29.894 30.817 -0.923 1
1 247 . 24 1 1 A 25 25 ARG N N 387 123.491 119.112 4.379 1
1 248 . 24 1 1 A 26 26 LYS H H 388 8.951 8.761 0.190 1
1 249 . 24 1 1 A 26 26 LYS HA H 388 4.635 4.871 -0.236 1
1 258 . 24 1 1 A 26 26 LYS CA C 388 55.605 55.105 0.500 1
1 259 . 24 1 1 A 26 26 LYS CB C 388 34.387 33.717 0.670 1
1 263 . 24 1 1 A 26 26 LYS N N 388 118.569 116.963 1.606 1
1 264 . 24 1 1 A 27 27 ASN H H 389 8.400 8.785 -0.385 1
1 265 . 24 1 1 A 27 27 ASN HA H 389 4.950 5.177 -0.227 1
1 270 . 24 1 1 A 27 27 ASN CA C 389 51.827 50.161 1.666 1
1 271 . 24 1 1 A 27 27 ASN CB C 389 39.171 39.106 0.065 1
1 272 . 24 1 1 A 27 27 ASN N N 389 122.702 123.898 -1.196 1
1 274 . 24 1 1 A 28 28 PRO HA H 390 4.595 4.645 -0.050 1
1 281 . 24 1 1 A 28 28 PRO CA C 390 65.632 64.562 1.070 1
1 282 . 24 1 1 A 28 28 PRO CB C 390 32.574 32.129 0.445 1
1 285 . 24 1 1 A 29 29 VAL H H 391 8.337 7.652 0.685 1
1 286 . 24 1 1 A 29 29 VAL HA H 391 3.818 4.400 -0.582 1
1 294 . 24 1 1 A 29 29 VAL CA C 391 65.608 64.452 1.156 1
1 295 . 24 1 1 A 29 29 VAL CB C 391 31.546 31.781 -0.235 1
1 298 . 24 1 1 A 29 29 VAL N N 391 117.431 116.084 1.347 1
1 299 . 24 1 1 A 30 30 HIS H H 392 8.037 8.133 -0.096 1
1 300 . 24 1 1 A 30 30 HIS HA H 392 4.565 4.091 0.474 1
1 305 . 24 1 1 A 30 30 HIS CA C 392 60.297 59.061 1.236 1
1 306 . 24 1 1 A 30 30 HIS CB C 392 27.700 29.505 -1.805 1
1 309 . 24 1 1 A 30 30 HIS N N 392 120.267 120.440 -0.173 1
1 310 . 24 1 1 A 31 31 PHE H H 393 7.059 8.161 -1.102 1
1 311 . 24 1 1 A 31 31 PHE HA H 393 4.465 4.397 0.068 1
1 319 . 24 1 1 A 31 31 PHE CA C 393 59.951 61.615 -1.664 1
1 320 . 24 1 1 A 31 31 PHE CB C 393 38.577 38.393 0.184 1
1 326 . 24 1 1 A 31 31 PHE N N 393 114.802 117.762 -2.960 1
1 327 . 24 1 1 A 32 32 GLN H H 394 7.671 8.039 -0.368 1
1 328 . 24 1 1 A 32 32 GLN HA H 394 4.261 4.285 -0.024 1
1 335 . 24 1 1 A 32 32 GLN CA C 394 57.393 58.731 -1.338 1
1 336 . 24 1 1 A 32 32 GLN CB C 394 28.710 28.526 0.184 1
1 338 . 24 1 1 A 32 32 GLN N N 394 117.129 119.553 -2.424 1
1 340 . 24 1 1 A 33 33 HIS H H 395 7.581 7.541 0.040 1
1 341 . 24 1 1 A 33 33 HIS HA H 395 4.498 4.146 0.352 1
1 346 . 24 1 1 A 33 33 HIS CA C 395 56.467 58.245 -1.778 1
1 347 . 24 1 1 A 33 33 HIS CB C 395 31.398 30.306 1.092 1
1 350 . 24 1 1 A 33 33 HIS N N 395 115.481 116.063 -0.582 1
1 351 . 24 1 1 A 34 34 PHE H H 396 8.044 7.509 0.535 1
1 352 . 24 1 1 A 34 34 PHE HA H 396 5.398 5.213 0.185 1
1 360 . 24 1 1 A 34 34 PHE CA C 396 56.318 56.136 0.182 1
1 361 . 24 1 1 A 34 34 PHE CB C 396 41.617 42.776 -1.159 1
1 367 . 24 1 1 A 34 34 PHE N N 396 117.547 115.722 1.825 1
1 368 . 24 1 1 A 35 35 SER H H 397 8.603 9.549 -0.946 1
1 369 . 24 1 1 A 35 35 SER HA H 397 4.769 5.037 -0.268 1
1 372 . 24 1 1 A 35 35 SER CA C 397 56.350 57.730 -1.380 1
1 373 . 24 1 1 A 35 35 SER CB C 397 65.912 64.801 1.111 1
1 374 . 24 1 1 A 35 35 SER N N 397 114.732 118.361 -3.629 1
1 375 . 24 1 1 A 36 36 HIS H H 398 9.538 8.911 0.627 1
1 376 . 24 1 1 A 36 36 HIS HA H 398 4.572 5.114 -0.542 1
1 381 . 24 1 1 A 36 36 HIS CA C 398 56.432 53.906 2.526 1
1 382 . 24 1 1 A 36 36 HIS CB C 398 29.935 32.990 -3.055 1
1 385 . 24 1 1 A 36 36 HIS N N 398 120.612 118.931 1.681 1
1 386 . 24 1 1 A 37 37 PRO HA H 399 3.457 3.053 0.404 1
1 393 . 24 1 1 A 37 37 PRO CA C 399 64.278 63.114 1.164 1
1 394 . 24 1 1 A 37 37 PRO CB C 399 30.979 30.999 -0.020 1
1 397 . 24 1 1 A 38 38 GLY H H 400 8.832 8.678 0.154 1
1 398 . 24 1 1 A 38 38 GLY HA2 H 400 3.593 3.828 -0.235 1
1 399 . 24 1 1 A 38 38 GLY HA3 H 400 4.522 3.832 0.690 1
1 400 . 24 1 1 A 38 38 GLY CA C 400 44.843 45.191 -0.348 1
1 401 . 24 1 1 A 38 38 GLY N N 400 115.162 112.056 3.106 1
1 402 . 24 1 1 A 39 39 ASP H H 401 8.505 7.474 1.031 1
1 403 . 24 1 1 A 39 39 ASP HA H 401 4.938 5.062 -0.124 1
1 406 . 24 1 1 A 39 39 ASP CA C 401 54.320 52.816 1.504 1
1 407 . 24 1 1 A 39 39 ASP CB C 401 41.893 43.513 -1.620 1
1 408 . 24 1 1 A 39 39 ASP N N 401 121.905 120.458 1.447 1
1 409 . 24 1 1 A 40 40 SER H H 402 9.378 8.945 0.433 1
1 410 . 24 1 1 A 40 40 SER HA H 402 4.281 4.169 0.112 1
1 413 . 24 1 1 A 40 40 SER CA C 402 61.078 61.175 -0.097 1
1 414 . 24 1 1 A 40 40 SER CB C 402 62.829 62.713 0.116 1
1 415 . 24 1 1 A 40 40 SER N N 402 119.493 117.620 1.873 1
1 416 . 24 1 1 A 41 41 ASP H H 403 8.924 7.968 0.956 1
1 417 . 24 1 1 A 41 41 ASP HA H 403 4.697 4.708 -0.011 1
1 420 . 24 1 1 A 41 41 ASP CA C 403 52.287 54.087 -1.800 1
1 421 . 24 1 1 A 41 41 ASP CB C 403 39.077 41.611 -2.534 1
1 422 . 24 1 1 A 41 41 ASP N N 403 116.599 118.998 -2.399 1
1 423 . 24 1 1 A 42 42 TYR H H 404 7.427 7.407 0.020 1
1 424 . 24 1 1 A 42 42 TYR HA H 404 4.452 4.375 0.077 1
1 431 . 24 1 1 A 42 42 TYR CA C 404 59.218 59.884 -0.666 1
1 432 . 24 1 1 A 42 42 TYR CB C 404 39.543 39.221 0.322 1
1 437 . 24 1 1 A 42 42 TYR N N 404 122.560 123.051 -0.491 1
1 438 . 24 1 1 A 43 43 GLY H H 405 7.715 8.233 -0.518 1
1 439 . 24 1 1 A 43 43 GLY HA2 H 405 3.743 3.938 -0.195 1
1 440 . 24 1 1 A 43 43 GLY HA3 H 405 3.704 4.040 -0.336 1
1 441 . 24 1 1 A 43 43 GLY CA C 405 45.100 45.426 -0.326 1
1 442 . 24 1 1 A 43 43 GLY N N 405 114.997 113.164 1.833 1
1 443 . 24 1 1 A 44 44 GLY H H 406 7.088 7.282 -0.194 1
1 444 . 24 1 1 A 44 44 GLY HA2 H 406 3.887 3.682 0.205 1
1 445 . 24 1 1 A 44 44 GLY HA3 H 406 3.887 3.729 0.158 1
1 446 . 24 1 1 A 44 44 GLY CA C 406 45.011 46.428 -1.417 1
1 447 . 24 1 1 A 44 44 GLY N N 406 107.744 106.925 0.819 1
1 448 . 24 1 1 A 45 45 VAL H H 407 8.064 7.532 0.532 1
1 449 . 24 1 1 A 45 45 VAL HA H 407 4.147 3.807 0.340 1
1 457 . 24 1 1 A 45 45 VAL CA C 407 62.222 62.642 -0.420 1
1 458 . 24 1 1 A 45 45 VAL CB C 407 32.899 29.827 3.072 1
1 461 . 24 1 1 A 45 45 VAL N N 407 119.029 114.987 4.042 1
1 462 . 24 1 1 A 46 46 GLN H H 408 8.506 8.590 -0.084 1
1 463 . 24 1 1 A 46 46 GLN HA H 408 4.433 4.562 -0.129 1
1 470 . 24 1 1 A 46 46 GLN CA C 408 55.631 55.314 0.317 1
1 471 . 24 1 1 A 46 46 GLN CB C 408 29.682 28.235 1.447 1
1 473 . 24 1 1 A 46 46 GLN N N 408 124.737 120.461 4.276 1
1 475 . 24 1 1 A 47 47 ILE H H 409 8.330 7.897 0.433 1
1 476 . 24 1 1 A 47 47 ILE HA H 409 4.237 3.670 0.567 1
1 486 . 24 1 1 A 47 47 ILE CA C 409 60.885 62.213 -1.328 1
1 487 . 24 1 1 A 47 47 ILE CB C 409 38.690 36.329 2.361 1
1 491 . 24 1 1 A 47 47 ILE N N 409 123.582 116.125 7.457 1
1 492 . 24 1 1 A 48 48 VAL H H 410 8.298 8.160 0.138 1
1 493 . 24 1 1 A 48 48 VAL HA H 410 4.183 4.403 -0.220 1
1 501 . 24 1 1 A 48 48 VAL CA C 410 62.351 61.443 0.908 1
1 502 . 24 1 1 A 48 48 VAL CB C 410 32.841 30.906 1.935 1
1 505 . 24 1 1 A 48 48 VAL N N 410 125.073 121.340 3.733 1
1 506 . 24 1 1 A 49 49 GLY H H 411 8.609 7.835 0.774 1
1 507 . 24 1 1 A 49 49 GLY HA2 H 411 4.032 4.071 -0.039 1
1 508 . 24 1 1 A 49 49 GLY HA3 H 411 4.008 4.073 -0.065 1
1 509 . 24 1 1 A 49 49 GLY CA C 411 45.281 46.253 -0.972 1
1 510 . 24 1 1 A 49 49 GLY N N 411 113.133 112.440 0.693 1
1 511 . 24 1 1 A 50 50 GLN H H 412 8.317 8.397 -0.080 1
1 512 . 24 1 1 A 50 50 GLN HA H 412 4.403 4.085 0.318 1
1 519 . 24 1 1 A 50 50 GLN CA C 412 55.872 58.831 -2.959 1
1 520 . 24 1 1 A 50 50 GLN CB C 412 29.678 28.622 1.056 1
1 522 . 24 1 1 A 50 50 GLN N N 412 119.972 118.043 1.929 1
1 524 . 24 1 1 A 51 51 ASP H H 413 8.533 7.868 0.665 1
1 525 . 24 1 1 A 51 51 ASP HA H 413 4.646 4.868 -0.222 1
1 528 . 24 1 1 A 51 51 ASP CA C 413 54.459 53.876 0.583 1
1 529 . 24 1 1 A 51 51 ASP CB C 413 41.215 41.498 -0.283 1
1 530 . 24 1 1 A 51 51 ASP N N 413 121.378 116.390 4.988 1
1 531 . 24 1 1 A 52 52 GLU H H 414 8.457 7.629 0.828 1
1 532 . 24 1 1 A 52 52 GLU HA H 414 4.392 4.648 -0.256 1
1 537 . 24 1 1 A 52 52 GLU CA C 414 56.700 55.528 1.172 1
1 538 . 24 1 1 A 52 52 GLU CB C 414 30.238 30.281 -0.043 1
1 540 . 24 1 1 A 52 52 GLU N N 414 121.491 118.803 2.688 1
1 541 . 24 1 1 A 53 53 THR H H 415 8.263 8.078 0.185 1
1 542 . 24 1 1 A 53 53 THR HA H 415 4.306 4.619 -0.313 1
1 547 . 24 1 1 A 53 53 THR CA C 415 62.113 60.333 1.780 1
1 548 . 24 1 1 A 53 53 THR CB C 415 69.912 68.808 1.104 1
1 550 . 24 1 1 A 53 53 THR N N 415 114.960 112.568 2.392 1
1 551 . 24 1 1 A 54 54 ASP H H 416 8.279 8.366 -0.087 1
1 552 . 24 1 1 A 54 54 ASP HA H 416 4.661 5.138 -0.477 1
1 555 . 24 1 1 A 54 54 ASP CA C 416 53.775 53.093 0.682 1
1 556 . 24 1 1 A 54 54 ASP CB C 416 41.188 42.114 -0.926 1
1 557 . 24 1 1 A 54 54 ASP N N 416 123.335 123.225 0.110 1
1 1 . 25 1 1 A 2 2 PRO HA H 364 4.519 4.736 -0.217 1
1 8 . 25 1 1 A 2 2 PRO CA C 364 63.238 62.688 0.550 1
1 9 . 25 1 1 A 2 2 PRO CB C 364 32.338 31.887 0.451 1
1 12 . 25 1 1 A 3 3 LEU H H 365 8.557 8.596 -0.039 1
1 13 . 25 1 1 A 3 3 LEU HA H 365 4.406 4.887 -0.481 1
1 23 . 25 1 1 A 3 3 LEU CA C 365 55.436 53.044 2.392 1
1 24 . 25 1 1 A 3 3 LEU CB C 365 42.304 44.505 -2.201 1
1 28 . 25 1 1 A 3 3 LEU N N 365 122.297 122.539 -0.242 1
1 29 . 25 1 1 A 4 4 GLY H H 366 8.443 8.262 0.181 1
1 30 . 25 1 1 A 4 4 GLY HA2 H 366 4.040 4.062 -0.022 1
1 31 . 25 1 1 A 4 4 GLY HA3 H 366 4.056 4.063 -0.007 1
1 32 . 25 1 1 A 4 4 GLY CA C 366 45.361 46.389 -1.028 1
1 33 . 25 1 1 A 4 4 GLY N N 366 110.040 110.684 -0.644 1
1 34 . 25 1 1 A 5 5 SER H H 367 8.374 8.059 0.315 1
1 35 . 25 1 1 A 5 5 SER HA H 367 4.521 4.696 -0.175 1
1 38 . 25 1 1 A 5 5 SER CA C 367 58.573 56.932 1.641 1
1 39 . 25 1 1 A 5 5 SER CB C 367 64.058 63.933 0.125 1
1 40 . 25 1 1 A 5 5 SER N N 367 116.007 114.321 1.686 1
1 41 . 25 1 1 A 6 6 GLY H H 368 8.639 8.431 0.208 1
1 42 . 25 1 1 A 6 6 GLY HA2 H 368 4.095 4.396 -0.301 1
1 43 . 25 1 1 A 6 6 GLY HA3 H 368 4.067 4.412 -0.345 1
1 44 . 25 1 1 A 6 6 GLY CA C 368 45.494 44.357 1.137 1
1 45 . 25 1 1 A 6 6 GLY N N 368 111.362 111.360 0.002 1
1 46 . 25 1 1 A 7 7 SER H H 369 8.313 8.855 -0.542 1
1 47 . 25 1 1 A 7 7 SER HA H 369 4.516 4.579 -0.063 1
1 50 . 25 1 1 A 7 7 SER CA C 369 58.583 58.480 0.103 1
1 51 . 25 1 1 A 7 7 SER CB C 369 63.973 64.058 -0.085 1
1 52 . 25 1 1 A 7 7 SER N N 369 115.885 114.664 1.221 1
1 53 . 25 1 1 A 8 8 GLU H H 370 8.630 7.740 0.890 1
1 54 . 25 1 1 A 8 8 GLU HA H 370 4.330 4.551 -0.221 1
1 59 . 25 1 1 A 8 8 GLU CA C 370 57.138 55.371 1.767 1
1 60 . 25 1 1 A 8 8 GLU CB C 370 29.984 30.306 -0.322 1
1 62 . 25 1 1 A 8 8 GLU N N 370 122.682 117.860 4.822 1
1 63 . 25 1 1 A 9 9 GLY H H 371 8.394 8.352 0.042 1
1 64 . 25 1 1 A 9 9 GLY HA2 H 371 3.976 4.214 -0.238 1
1 65 . 25 1 1 A 9 9 GLY HA3 H 371 3.976 4.231 -0.255 1
1 66 . 25 1 1 A 9 9 GLY CA C 371 45.469 45.686 -0.217 1
1 67 . 25 1 1 A 9 9 GLY N N 371 109.245 111.880 -2.635 1
1 68 . 25 1 1 A 10 10 ASN H H 372 8.283 8.170 0.113 1
1 69 . 25 1 1 A 10 10 ASN HA H 372 4.732 5.009 -0.277 1
1 74 . 25 1 1 A 10 10 ASN CA C 372 53.263 54.240 -0.977 1
1 75 . 25 1 1 A 10 10 ASN CB C 372 38.961 41.315 -2.354 1
1 76 . 25 1 1 A 10 10 ASN N N 372 118.662 115.684 2.978 1
1 78 . 25 1 1 A 11 11 LYS H H 373 8.264 7.792 0.472 1
1 79 . 25 1 1 A 11 11 LYS HA H 373 4.360 4.483 -0.123 1
1 88 . 25 1 1 A 11 11 LYS CA C 373 56.413 55.307 1.106 1
1 89 . 25 1 1 A 11 11 LYS CB C 373 33.054 32.814 0.240 1
1 93 . 25 1 1 A 11 11 LYS N N 373 121.729 118.175 3.554 1
1 94 . 25 1 1 A 12 12 VAL H H 374 8.114 7.763 0.351 1
1 95 . 25 1 1 A 12 12 VAL HA H 374 4.086 4.764 -0.678 1
1 103 . 25 1 1 A 12 12 VAL CA C 374 62.169 60.251 1.918 1
1 104 . 25 1 1 A 12 12 VAL CB C 374 32.862 36.134 -3.272 1
1 107 . 25 1 1 A 12 12 VAL N N 374 121.704 120.499 1.205 1
1 108 . 25 1 1 A 13 13 LYS H H 375 8.415 8.268 0.147 1
1 109 . 25 1 1 A 13 13 LYS HA H 375 4.383 4.482 -0.099 1
1 118 . 25 1 1 A 13 13 LYS CA C 375 55.989 55.610 0.379 1
1 119 . 25 1 1 A 13 13 LYS CB C 375 33.159 31.762 1.397 1
1 123 . 25 1 1 A 13 13 LYS N N 375 126.419 125.515 0.904 1
1 124 . 25 1 1 A 14 14 ARG H H 376 8.753 8.066 0.687 1
1 125 . 25 1 1 A 14 14 ARG HA H 376 4.363 4.288 0.075 1
1 132 . 25 1 1 A 14 14 ARG CA C 376 56.293 56.700 -0.407 1
1 133 . 25 1 1 A 14 14 ARG CB C 376 32.331 30.635 1.696 1
1 136 . 25 1 1 A 14 14 ARG N N 376 123.397 124.580 -1.183 1
1 137 . 25 1 1 A 15 15 THR H H 377 8.081 8.208 -0.127 1
1 138 . 25 1 1 A 15 15 THR HA H 377 4.398 4.345 0.053 1
1 143 . 25 1 1 A 15 15 THR CA C 377 61.533 62.746 -1.213 1
1 144 . 25 1 1 A 15 15 THR CB C 377 70.409 69.744 0.665 1
1 146 . 25 1 1 A 15 15 THR N N 377 117.600 117.993 -0.393 1
1 147 . 25 1 1 A 16 16 SER H H 378 8.614 8.417 0.197 1
1 148 . 25 1 1 A 16 16 SER HA H 378 4.853 4.441 0.412 1
1 151 . 25 1 1 A 16 16 SER CA C 378 59.098 58.718 0.380 1
1 152 . 25 1 1 A 16 16 SER CB C 378 63.763 63.876 -0.113 1
1 153 . 25 1 1 A 16 16 SER N N 378 121.120 121.469 -0.349 1
1 154 . 25 1 1 A 17 17 CYS H H 379 9.252 8.236 1.016 1
1 155 . 25 1 1 A 17 17 CYS HA H 379 3.994 4.563 -0.569 1
1 158 . 25 1 1 A 17 17 CYS CA C 379 60.962 58.247 2.715 1
1 159 . 25 1 1 A 17 17 CYS CB C 379 29.581 29.056 0.525 1
1 160 . 25 1 1 A 17 17 CYS N N 379 127.790 123.692 4.098 1
1 161 . 25 1 1 A 18 18 MET H H 380 8.831 8.668 0.163 1
1 162 . 25 1 1 A 18 18 MET HA H 380 4.212 3.985 0.227 1
1 170 . 25 1 1 A 18 18 MET CA C 380 58.209 57.759 0.450 1
1 171 . 25 1 1 A 18 18 MET CB C 380 31.936 31.509 0.427 1
1 174 . 25 1 1 A 18 18 MET N N 380 130.017 124.536 5.481 1
1 175 . 25 1 1 A 19 19 TYR H H 381 8.701 7.556 1.145 1
1 176 . 25 1 1 A 19 19 TYR HA H 381 4.579 4.662 -0.083 1
1 183 . 25 1 1 A 19 19 TYR CA C 381 58.762 58.126 0.636 1
1 184 . 25 1 1 A 19 19 TYR CB C 381 37.595 38.998 -1.403 1
1 189 . 25 1 1 A 19 19 TYR N N 381 120.369 117.503 2.866 1
1 190 . 25 1 1 A 20 20 GLY H H 382 7.760 8.243 -0.483 1
1 191 . 25 1 1 A 20 20 GLY HA2 H 382 3.710 3.967 -0.257 1
1 192 . 25 1 1 A 20 20 GLY HA3 H 382 4.085 4.003 0.082 1
1 193 . 25 1 1 A 20 20 GLY CA C 382 47.627 47.476 0.151 1
1 194 . 25 1 1 A 20 20 GLY N N 382 107.481 108.550 -1.069 1
1 195 . 25 1 1 A 21 21 ALA H H 383 9.248 8.333 0.915 1
1 196 . 25 1 1 A 21 21 ALA HA H 383 4.354 4.320 0.034 1
1 200 . 25 1 1 A 21 21 ALA CA C 383 53.398 52.951 0.447 1
1 201 . 25 1 1 A 21 21 ALA CB C 383 18.808 19.715 -0.907 1
1 202 . 25 1 1 A 21 21 ALA N N 383 128.449 129.180 -0.731 1
1 203 . 25 1 1 A 22 22 ASN H H 384 8.261 7.992 0.269 1
1 204 . 25 1 1 A 22 22 ASN HA H 384 4.944 4.954 -0.010 1
1 209 . 25 1 1 A 22 22 ASN CA C 384 52.140 53.094 -0.954 1
1 210 . 25 1 1 A 22 22 ASN CB C 384 38.940 39.195 -0.255 1
1 211 . 25 1 1 A 22 22 ASN N N 384 115.516 114.400 1.116 1
1 213 . 25 1 1 A 23 23 CYS H H 385 7.174 7.662 -0.488 1
1 214 . 25 1 1 A 23 23 CYS HA H 385 3.736 4.317 -0.581 1
1 217 . 25 1 1 A 23 23 CYS CA C 385 61.867 60.145 1.722 1
1 218 . 25 1 1 A 23 23 CYS CB C 385 29.434 28.438 0.996 1
1 219 . 25 1 1 A 23 23 CYS N N 385 121.580 120.470 1.110 1
1 220 . 25 1 1 A 24 24 TYR H H 386 7.680 8.265 -0.585 1
1 221 . 25 1 1 A 24 24 TYR HA H 386 4.858 4.656 0.202 1
1 228 . 25 1 1 A 24 24 TYR CA C 386 56.348 57.580 -1.232 1
1 229 . 25 1 1 A 24 24 TYR CB C 386 38.216 39.751 -1.535 1
1 234 . 25 1 1 A 24 24 TYR N N 386 126.676 123.185 3.491 1
1 235 . 25 1 1 A 25 25 ARG H H 387 7.988 6.513 1.475 1
1 236 . 25 1 1 A 25 25 ARG HA H 387 4.054 4.307 -0.253 1
1 243 . 25 1 1 A 25 25 ARG CA C 387 56.282 55.708 0.574 1
1 244 . 25 1 1 A 25 25 ARG CB C 387 29.894 30.639 -0.745 1
1 247 . 25 1 1 A 25 25 ARG N N 387 123.491 118.622 4.869 1
1 248 . 25 1 1 A 26 26 LYS H H 388 8.951 8.802 0.149 1
1 249 . 25 1 1 A 26 26 LYS HA H 388 4.635 4.763 -0.128 1
1 258 . 25 1 1 A 26 26 LYS CA C 388 55.605 54.465 1.140 1
1 259 . 25 1 1 A 26 26 LYS CB C 388 34.387 34.817 -0.430 1
1 263 . 25 1 1 A 26 26 LYS N N 388 118.569 119.570 -1.001 1
1 264 . 25 1 1 A 27 27 ASN H H 389 8.400 8.689 -0.289 1
1 265 . 25 1 1 A 27 27 ASN HA H 389 4.950 5.190 -0.240 1
1 270 . 25 1 1 A 27 27 ASN CA C 389 51.827 50.080 1.747 1
1 271 . 25 1 1 A 27 27 ASN CB C 389 39.171 39.087 0.084 1
1 272 . 25 1 1 A 27 27 ASN N N 389 122.702 123.055 -0.353 1
1 274 . 25 1 1 A 28 28 PRO HA H 390 4.595 4.564 0.031 1
1 281 . 25 1 1 A 28 28 PRO CA C 390 65.632 64.773 0.859 1
1 282 . 25 1 1 A 28 28 PRO CB C 390 32.574 32.108 0.466 1
1 285 . 25 1 1 A 29 29 VAL H H 391 8.337 7.679 0.658 1
1 286 . 25 1 1 A 29 29 VAL HA H 391 3.818 4.413 -0.595 1
1 294 . 25 1 1 A 29 29 VAL CA C 391 65.608 64.327 1.281 1
1 295 . 25 1 1 A 29 29 VAL CB C 391 31.546 31.892 -0.346 1
1 298 . 25 1 1 A 29 29 VAL N N 391 117.431 116.099 1.332 1
1 299 . 25 1 1 A 30 30 HIS H H 392 8.037 8.117 -0.080 1
1 300 . 25 1 1 A 30 30 HIS HA H 392 4.565 4.116 0.449 1
1 305 . 25 1 1 A 30 30 HIS CA C 392 60.297 59.095 1.202 1
1 306 . 25 1 1 A 30 30 HIS CB C 392 27.700 29.701 -2.001 1
1 309 . 25 1 1 A 30 30 HIS N N 392 120.267 120.426 -0.159 1
1 310 . 25 1 1 A 31 31 PHE H H 393 7.059 8.168 -1.109 1
1 311 . 25 1 1 A 31 31 PHE HA H 393 4.465 4.450 0.015 1
1 319 . 25 1 1 A 31 31 PHE CA C 393 59.951 61.750 -1.799 1
1 320 . 25 1 1 A 31 31 PHE CB C 393 38.577 38.419 0.158 1
1 326 . 25 1 1 A 31 31 PHE N N 393 114.802 117.950 -3.148 1
1 327 . 25 1 1 A 32 32 GLN H H 394 7.671 7.953 -0.282 1
1 328 . 25 1 1 A 32 32 GLN HA H 394 4.261 4.244 0.017 1
1 335 . 25 1 1 A 32 32 GLN CA C 394 57.393 58.828 -1.435 1
1 336 . 25 1 1 A 32 32 GLN CB C 394 28.710 28.560 0.150 1
1 338 . 25 1 1 A 32 32 GLN N N 394 117.129 119.455 -2.326 1
1 340 . 25 1 1 A 33 33 HIS H H 395 7.581 7.675 -0.094 1
1 341 . 25 1 1 A 33 33 HIS HA H 395 4.498 4.052 0.446 1
1 346 . 25 1 1 A 33 33 HIS CA C 395 56.467 58.293 -1.826 1
1 347 . 25 1 1 A 33 33 HIS CB C 395 31.398 29.865 1.533 1
1 350 . 25 1 1 A 33 33 HIS N N 395 115.481 116.063 -0.582 1
1 351 . 25 1 1 A 34 34 PHE H H 396 8.044 7.383 0.661 1
1 352 . 25 1 1 A 34 34 PHE HA H 396 5.398 5.196 0.202 1
1 360 . 25 1 1 A 34 34 PHE CA C 396 56.318 56.319 -0.001 1
1 361 . 25 1 1 A 34 34 PHE CB C 396 41.617 42.716 -1.099 1
1 367 . 25 1 1 A 34 34 PHE N N 396 117.547 115.738 1.809 1
1 368 . 25 1 1 A 35 35 SER H H 397 8.603 9.503 -0.900 1
1 369 . 25 1 1 A 35 35 SER HA H 397 4.769 4.982 -0.213 1
1 372 . 25 1 1 A 35 35 SER CA C 397 56.350 58.060 -1.710 1
1 373 . 25 1 1 A 35 35 SER CB C 397 65.912 64.576 1.336 1
1 374 . 25 1 1 A 35 35 SER N N 397 114.732 118.687 -3.955 1
1 375 . 25 1 1 A 36 36 HIS H H 398 9.538 8.892 0.646 1
1 376 . 25 1 1 A 36 36 HIS HA H 398 4.572 5.134 -0.562 1
1 381 . 25 1 1 A 36 36 HIS CA C 398 56.432 53.862 2.570 1
1 382 . 25 1 1 A 36 36 HIS CB C 398 29.935 33.014 -3.079 1
1 385 . 25 1 1 A 36 36 HIS N N 398 120.612 119.436 1.176 1
1 386 . 25 1 1 A 37 37 PRO HA H 399 3.457 3.104 0.353 1
1 393 . 25 1 1 A 37 37 PRO CA C 399 64.278 63.102 1.176 1
1 394 . 25 1 1 A 37 37 PRO CB C 399 30.979 30.970 0.009 1
1 397 . 25 1 1 A 38 38 GLY H H 400 8.832 8.684 0.148 1
1 398 . 25 1 1 A 38 38 GLY HA2 H 400 3.593 3.779 -0.186 1
1 399 . 25 1 1 A 38 38 GLY HA3 H 400 4.522 3.785 0.737 1
1 400 . 25 1 1 A 38 38 GLY CA C 400 44.843 45.068 -0.225 1
1 401 . 25 1 1 A 38 38 GLY N N 400 115.162 112.222 2.940 1
1 402 . 25 1 1 A 39 39 ASP H H 401 8.505 7.446 1.059 1
1 403 . 25 1 1 A 39 39 ASP HA H 401 4.938 4.974 -0.036 1
1 406 . 25 1 1 A 39 39 ASP CA C 401 54.320 52.622 1.698 1
1 407 . 25 1 1 A 39 39 ASP CB C 401 41.893 43.203 -1.310 1
1 408 . 25 1 1 A 39 39 ASP N N 401 121.905 120.704 1.201 1
1 409 . 25 1 1 A 40 40 SER H H 402 9.378 9.106 0.272 1
1 410 . 25 1 1 A 40 40 SER HA H 402 4.281 4.158 0.123 1
1 413 . 25 1 1 A 40 40 SER CA C 402 61.078 61.206 -0.128 1
1 414 . 25 1 1 A 40 40 SER CB C 402 62.829 62.959 -0.130 1
1 415 . 25 1 1 A 40 40 SER N N 402 119.493 118.370 1.123 1
1 416 . 25 1 1 A 41 41 ASP H H 403 8.924 7.856 1.068 1
1 417 . 25 1 1 A 41 41 ASP HA H 403 4.697 4.728 -0.031 1
1 420 . 25 1 1 A 41 41 ASP CA C 403 52.287 54.385 -2.098 1
1 421 . 25 1 1 A 41 41 ASP CB C 403 39.077 41.459 -2.382 1
1 422 . 25 1 1 A 41 41 ASP N N 403 116.599 118.430 -1.831 1
1 423 . 25 1 1 A 42 42 TYR H H 404 7.427 7.287 0.140 1
1 424 . 25 1 1 A 42 42 TYR HA H 404 4.452 4.333 0.119 1
1 431 . 25 1 1 A 42 42 TYR CA C 404 59.218 59.900 -0.682 1
1 432 . 25 1 1 A 42 42 TYR CB C 404 39.543 39.114 0.429 1
1 437 . 25 1 1 A 42 42 TYR N N 404 122.560 123.068 -0.508 1
1 438 . 25 1 1 A 43 43 GLY H H 405 7.715 8.240 -0.525 1
1 439 . 25 1 1 A 43 43 GLY HA2 H 405 3.743 3.909 -0.166 1
1 440 . 25 1 1 A 43 43 GLY HA3 H 405 3.704 4.058 -0.354 1
1 441 . 25 1 1 A 43 43 GLY CA C 405 45.100 45.467 -0.367 1
1 442 . 25 1 1 A 43 43 GLY N N 405 114.997 112.374 2.623 1
1 443 . 25 1 1 A 44 44 GLY H H 406 7.088 7.825 -0.737 1
1 444 . 25 1 1 A 44 44 GLY HA2 H 406 3.887 4.033 -0.146 1
1 445 . 25 1 1 A 44 44 GLY HA3 H 406 3.887 4.038 -0.151 1
1 446 . 25 1 1 A 44 44 GLY CA C 406 45.011 45.582 -0.571 1
1 447 . 25 1 1 A 44 44 GLY N N 406 107.744 110.260 -2.516 1
1 448 . 25 1 1 A 45 45 VAL H H 407 8.064 8.050 0.014 1
1 449 . 25 1 1 A 45 45 VAL HA H 407 4.147 4.174 -0.027 1
1 457 . 25 1 1 A 45 45 VAL CA C 407 62.222 62.051 0.171 1
1 458 . 25 1 1 A 45 45 VAL CB C 407 32.899 29.811 3.088 1
1 461 . 25 1 1 A 45 45 VAL N N 407 119.029 120.239 -1.210 1
1 462 . 25 1 1 A 46 46 GLN H H 408 8.506 8.224 0.282 1
1 463 . 25 1 1 A 46 46 GLN HA H 408 4.433 5.102 -0.669 1
1 470 . 25 1 1 A 46 46 GLN CA C 408 55.631 54.814 0.817 1
1 471 . 25 1 1 A 46 46 GLN CB C 408 29.682 30.209 -0.527 1
1 473 . 25 1 1 A 46 46 GLN N N 408 124.737 121.937 2.800 1
1 475 . 25 1 1 A 47 47 ILE H H 409 8.330 9.079 -0.749 1
1 476 . 25 1 1 A 47 47 ILE HA H 409 4.237 4.531 -0.294 1
1 486 . 25 1 1 A 47 47 ILE CA C 409 60.885 60.519 0.366 1
1 487 . 25 1 1 A 47 47 ILE CB C 409 38.690 37.408 1.282 1
1 491 . 25 1 1 A 47 47 ILE N N 409 123.582 126.464 -2.882 1
1 492 . 25 1 1 A 48 48 VAL H H 410 8.298 8.646 -0.348 1
1 493 . 25 1 1 A 48 48 VAL HA H 410 4.183 4.332 -0.149 1
1 501 . 25 1 1 A 48 48 VAL CA C 410 62.351 61.130 1.221 1
1 502 . 25 1 1 A 48 48 VAL CB C 410 32.841 31.833 1.008 1
1 505 . 25 1 1 A 48 48 VAL N N 410 125.073 128.251 -3.178 1
1 506 . 25 1 1 A 49 49 GLY H H 411 8.609 7.844 0.765 1
1 507 . 25 1 1 A 49 49 GLY HA2 H 411 4.032 4.017 0.015 1
1 508 . 25 1 1 A 49 49 GLY HA3 H 411 4.008 4.019 -0.011 1
1 509 . 25 1 1 A 49 49 GLY CA C 411 45.281 46.359 -1.078 1
1 510 . 25 1 1 A 49 49 GLY N N 411 113.133 113.088 0.045 1
1 511 . 25 1 1 A 50 50 GLN H H 412 8.317 8.288 0.029 1
1 512 . 25 1 1 A 50 50 GLN HA H 412 4.403 4.030 0.373 1
1 519 . 25 1 1 A 50 50 GLN CA C 412 55.872 58.823 -2.951 1
1 520 . 25 1 1 A 50 50 GLN CB C 412 29.678 28.576 1.102 1
1 522 . 25 1 1 A 50 50 GLN N N 412 119.972 118.563 1.409 1
1 524 . 25 1 1 A 51 51 ASP H H 413 8.533 8.102 0.431 1
1 525 . 25 1 1 A 51 51 ASP HA H 413 4.646 4.826 -0.180 1
1 528 . 25 1 1 A 51 51 ASP CA C 413 54.459 53.221 1.238 1
1 529 . 25 1 1 A 51 51 ASP CB C 413 41.215 41.665 -0.450 1
1 530 . 25 1 1 A 51 51 ASP N N 413 121.378 117.196 4.182 1
1 531 . 25 1 1 A 52 52 GLU H H 414 8.457 7.937 0.520 1
1 532 . 25 1 1 A 52 52 GLU HA H 414 4.392 4.512 -0.120 1
1 537 . 25 1 1 A 52 52 GLU CA C 414 56.700 55.600 1.100 1
1 538 . 25 1 1 A 52 52 GLU CB C 414 30.238 30.006 0.232 1
1 540 . 25 1 1 A 52 52 GLU N N 414 121.491 121.784 -0.293 1
1 541 . 25 1 1 A 53 53 THR H H 415 8.263 7.691 0.572 1
1 542 . 25 1 1 A 53 53 THR HA H 415 4.306 4.601 -0.295 1
1 547 . 25 1 1 A 53 53 THR CA C 415 62.113 60.260 1.853 1
1 548 . 25 1 1 A 53 53 THR CB C 415 69.912 68.768 1.144 1
1 550 . 25 1 1 A 53 53 THR N N 415 114.960 113.304 1.656 1
1 551 . 25 1 1 A 54 54 ASP H H 416 8.279 8.570 -0.291 1
1 552 . 25 1 1 A 54 54 ASP HA H 416 4.661 5.030 -0.369 1
1 555 . 25 1 1 A 54 54 ASP CA C 416 53.775 53.434 0.341 1
1 556 . 25 1 1 A 54 54 ASP CB C 416 41.188 41.397 -0.209 1
1 557 . 25 1 1 A 54 54 ASP N N 416 123.335 123.970 -0.635 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 53 1.173 1
3 1 1 1 "RMS(OBS, PRED)" CB 45 1.415 1
4 1 1 1 "RMS(OBS, PRED)" H 50 0.540 1
5 1 1 1 "RMS(OBS, PRED)" HA 61 0.309 1
6 1 1 1 "RMS(OBS, PRED)" N 50 2.822 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 53 1.431 1
9 1 2 1 "RMS(OBS, PRED)" CB 45 1.570 1
10 1 2 1 "RMS(OBS, PRED)" H 50 0.557 1
11 1 2 1 "RMS(OBS, PRED)" HA 61 0.328 1
12 1 2 1 "RMS(OBS, PRED)" N 50 2.689 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 53 1.485 1
15 1 3 1 "RMS(OBS, PRED)" CB 45 1.517 1
16 1 3 1 "RMS(OBS, PRED)" H 50 0.568 1
17 1 3 1 "RMS(OBS, PRED)" HA 61 0.340 1
18 1 3 1 "RMS(OBS, PRED)" N 50 2.442 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 53 1.409 1
21 1 4 1 "RMS(OBS, PRED)" CB 45 1.312 1
22 1 4 1 "RMS(OBS, PRED)" H 50 0.566 1
23 1 4 1 "RMS(OBS, PRED)" HA 61 0.324 1
24 1 4 1 "RMS(OBS, PRED)" N 50 2.512 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 53 1.422 1
27 1 5 1 "RMS(OBS, PRED)" CB 45 1.330 1
28 1 5 1 "RMS(OBS, PRED)" H 50 0.600 1
29 1 5 1 "RMS(OBS, PRED)" HA 61 0.330 1
30 1 5 1 "RMS(OBS, PRED)" N 50 2.606 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 53 1.238 1
33 1 6 1 "RMS(OBS, PRED)" CB 45 1.339 1
34 1 6 1 "RMS(OBS, PRED)" H 50 0.645 1
35 1 6 1 "RMS(OBS, PRED)" HA 61 0.297 1
36 1 6 1 "RMS(OBS, PRED)" N 50 2.788 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 53 1.414 1
39 1 7 1 "RMS(OBS, PRED)" CB 45 1.409 1
40 1 7 1 "RMS(OBS, PRED)" H 50 0.533 1
41 1 7 1 "RMS(OBS, PRED)" HA 61 0.311 1
42 1 7 1 "RMS(OBS, PRED)" N 50 2.419 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 53 1.172 1
45 1 8 1 "RMS(OBS, PRED)" CB 45 1.301 1
46 1 8 1 "RMS(OBS, PRED)" H 50 0.627 1
47 1 8 1 "RMS(OBS, PRED)" HA 61 0.303 1
48 1 8 1 "RMS(OBS, PRED)" N 50 2.568 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 53 1.258 1
51 1 9 1 "RMS(OBS, PRED)" CB 45 1.496 1
52 1 9 1 "RMS(OBS, PRED)" H 50 0.612 1
53 1 9 1 "RMS(OBS, PRED)" HA 61 0.322 1
54 1 9 1 "RMS(OBS, PRED)" N 50 2.612 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 53 1.247 1
57 1 10 1 "RMS(OBS, PRED)" CB 45 1.463 1
58 1 10 1 "RMS(OBS, PRED)" H 50 0.626 1
59 1 10 1 "RMS(OBS, PRED)" HA 61 0.280 1
60 1 10 1 "RMS(OBS, PRED)" N 50 2.540 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 53 1.446 1
63 1 11 1 "RMS(OBS, PRED)" CB 45 1.237 1
64 1 11 1 "RMS(OBS, PRED)" H 50 0.566 1
65 1 11 1 "RMS(OBS, PRED)" HA 61 0.314 1
66 1 11 1 "RMS(OBS, PRED)" N 50 2.290 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 53 1.430 1
69 1 12 1 "RMS(OBS, PRED)" CB 45 1.451 1
70 1 12 1 "RMS(OBS, PRED)" H 50 0.583 1
71 1 12 1 "RMS(OBS, PRED)" HA 61 0.323 1
72 1 12 1 "RMS(OBS, PRED)" N 50 3.001 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 53 1.346 1
75 1 13 1 "RMS(OBS, PRED)" CB 45 1.421 1
76 1 13 1 "RMS(OBS, PRED)" H 50 0.606 1
77 1 13 1 "RMS(OBS, PRED)" HA 61 0.314 1
78 1 13 1 "RMS(OBS, PRED)" N 50 2.663 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 53 1.262 1
81 1 14 1 "RMS(OBS, PRED)" CB 45 1.554 1
82 1 14 1 "RMS(OBS, PRED)" H 50 0.590 1
83 1 14 1 "RMS(OBS, PRED)" HA 61 0.303 1
84 1 14 1 "RMS(OBS, PRED)" N 50 2.442 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 53 1.217 1
87 1 15 1 "RMS(OBS, PRED)" CB 45 1.441 1
88 1 15 1 "RMS(OBS, PRED)" H 50 0.584 1
89 1 15 1 "RMS(OBS, PRED)" HA 61 0.331 1
90 1 15 1 "RMS(OBS, PRED)" N 50 2.501 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 53 1.247 1
93 1 16 1 "RMS(OBS, PRED)" CB 45 1.227 1
94 1 16 1 "RMS(OBS, PRED)" H 50 0.589 1
95 1 16 1 "RMS(OBS, PRED)" HA 61 0.314 1
96 1 16 1 "RMS(OBS, PRED)" N 50 2.153 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 53 1.310 1
99 1 17 1 "RMS(OBS, PRED)" CB 45 1.508 1
100 1 17 1 "RMS(OBS, PRED)" H 50 0.586 1
101 1 17 1 "RMS(OBS, PRED)" HA 61 0.329 1
102 1 17 1 "RMS(OBS, PRED)" N 50 2.674 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 53 1.298 1
105 1 18 1 "RMS(OBS, PRED)" CB 45 1.356 1
106 1 18 1 "RMS(OBS, PRED)" H 50 0.644 1
107 1 18 1 "RMS(OBS, PRED)" HA 61 0.285 1
108 1 18 1 "RMS(OBS, PRED)" N 50 2.692 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 53 1.380 1
111 1 19 1 "RMS(OBS, PRED)" CB 45 1.340 1
112 1 19 1 "RMS(OBS, PRED)" H 50 0.566 1
113 1 19 1 "RMS(OBS, PRED)" HA 61 0.319 1
114 1 19 1 "RMS(OBS, PRED)" N 50 2.438 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 53 1.353 1
117 1 20 1 "RMS(OBS, PRED)" CB 45 1.460 1
118 1 20 1 "RMS(OBS, PRED)" H 50 0.559 1
119 1 20 1 "RMS(OBS, PRED)" HA 61 0.295 1
120 1 20 1 "RMS(OBS, PRED)" N 50 2.179 1
121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 21 1 "RMS(OBS, PRED)" CA 53 1.400 1
123 1 21 1 "RMS(OBS, PRED)" CB 45 1.401 1
124 1 21 1 "RMS(OBS, PRED)" H 50 0.581 1
125 1 21 1 "RMS(OBS, PRED)" HA 61 0.316 1
126 1 21 1 "RMS(OBS, PRED)" N 50 2.587 1
127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1
128 1 22 1 "RMS(OBS, PRED)" CA 53 1.312 1
129 1 22 1 "RMS(OBS, PRED)" CB 45 1.352 1
130 1 22 1 "RMS(OBS, PRED)" H 50 0.616 1
131 1 22 1 "RMS(OBS, PRED)" HA 61 0.296 1
132 1 22 1 "RMS(OBS, PRED)" N 50 2.509 1
133 1 23 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 23 1 "RMS(OBS, PRED)" CA 53 1.302 1
135 1 23 1 "RMS(OBS, PRED)" CB 45 1.317 1
136 1 23 1 "RMS(OBS, PRED)" H 50 0.589 1
137 1 23 1 "RMS(OBS, PRED)" HA 61 0.290 1
138 1 23 1 "RMS(OBS, PRED)" N 50 2.641 1
139 1 24 1 "RMS(OBS, PRED)" C 0 0.000 1
140 1 24 1 "RMS(OBS, PRED)" CA 53 1.389 1
141 1 24 1 "RMS(OBS, PRED)" CB 45 1.493 1
142 1 24 1 "RMS(OBS, PRED)" H 50 0.578 1
143 1 24 1 "RMS(OBS, PRED)" HA 61 0.348 1
144 1 24 1 "RMS(OBS, PRED)" N 50 2.950 1
145 1 25 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 25 1 "RMS(OBS, PRED)" CA 53 1.319 1
147 1 25 1 "RMS(OBS, PRED)" CB 45 1.317 1
148 1 25 1 "RMS(OBS, PRED)" H 50 0.596 1
149 1 25 1 "RMS(OBS, PRED)" HA 61 0.301 1
150 1 25 1 "RMS(OBS, PRED)" N 50 2.360 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 PRO HA H 364 4.519 4.682 -0.163 2
1 8 . 1 1 A 2 2 PRO CA C 364 63.238 62.779 0.459 2
1 9 . 1 1 A 2 2 PRO CB C 364 32.338 31.731 0.607 2
1 12 . 1 1 A 3 3 LEU H H 365 8.557 8.601 -0.044 2
1 13 . 1 1 A 3 3 LEU HA H 365 4.406 4.723 -0.317 2
1 23 . 1 1 A 3 3 LEU CA C 365 55.436 54.095 1.341 2
1 24 . 1 1 A 3 3 LEU CB C 365 42.304 43.970 -1.666 2
1 28 . 1 1 A 3 3 LEU N N 365 122.297 122.896 -0.599 2
1 29 . 1 1 A 4 4 GLY H H 366 8.443 8.445 -0.002 2
1 30 . 1 1 A 4 4 GLY HA2 H 366 4.040 4.117 -0.077 2
1 31 . 1 1 A 4 4 GLY HA3 H 366 4.056 4.124 -0.068 2
1 32 . 1 1 A 4 4 GLY CA C 366 45.361 45.171 0.190 2
1 33 . 1 1 A 4 4 GLY N N 366 110.040 111.541 -1.501 2
1 34 . 1 1 A 5 5 SER H H 367 8.374 8.403 -0.029 2
1 35 . 1 1 A 5 5 SER HA H 367 4.521 4.834 -0.313 2
1 38 . 1 1 A 5 5 SER CA C 367 58.573 57.491 1.082 2
1 39 . 1 1 A 5 5 SER CB C 367 64.058 64.639 -0.581 2
1 40 . 1 1 A 5 5 SER N N 367 116.007 115.928 0.079 2
1 41 . 1 1 A 6 6 GLY H H 368 8.639 8.276 0.363 2
1 42 . 1 1 A 6 6 GLY HA2 H 368 4.095 4.045 0.050 2
1 43 . 1 1 A 6 6 GLY HA3 H 368 4.067 4.090 -0.023 2
1 44 . 1 1 A 6 6 GLY CA C 368 45.494 45.234 0.260 2
1 45 . 1 1 A 6 6 GLY N N 368 111.362 111.612 -0.250 2
1 46 . 1 1 A 7 7 SER H H 369 8.313 8.515 -0.202 2
1 47 . 1 1 A 7 7 SER HA H 369 4.516 5.064 -0.548 2
1 50 . 1 1 A 7 7 SER CA C 369 58.583 57.322 1.261 2
1 51 . 1 1 A 7 7 SER CB C 369 63.973 64.651 -0.678 2
1 52 . 1 1 A 7 7 SER N N 369 115.885 117.221 -1.336 2
1 53 . 1 1 A 8 8 GLU H H 370 8.630 8.597 0.033 2
1 54 . 1 1 A 8 8 GLU HA H 370 4.330 4.770 -0.440 2
1 59 . 1 1 A 8 8 GLU CA C 370 57.138 55.266 1.872 2
1 60 . 1 1 A 8 8 GLU CB C 370 29.984 31.464 -1.480 2
1 62 . 1 1 A 8 8 GLU N N 370 122.682 123.244 -0.562 2
1 63 . 1 1 A 9 9 GLY H H 371 8.394 8.566 -0.172 2
1 64 . 1 1 A 9 9 GLY HA2 H 371 3.976 4.107 -0.131 2
1 65 . 1 1 A 9 9 GLY HA3 H 371 3.976 4.123 -0.147 2
1 66 . 1 1 A 9 9 GLY CA C 371 45.469 46.067 -0.598 2
1 67 . 1 1 A 9 9 GLY N N 371 109.245 110.126 -0.881 2
1 68 . 1 1 A 10 10 ASN H H 372 8.283 8.008 0.275 2
1 69 . 1 1 A 10 10 ASN HA H 372 4.732 5.028 -0.296 2
1 74 . 1 1 A 10 10 ASN CA C 372 53.263 53.554 -0.291 2
1 75 . 1 1 A 10 10 ASN CB C 372 38.961 40.744 -1.783 2
1 76 . 1 1 A 10 10 ASN N N 372 118.662 116.530 2.132 2
1 78 . 1 1 A 11 11 LYS H H 373 8.264 7.932 0.332 2
1 79 . 1 1 A 11 11 LYS HA H 373 4.360 4.319 0.041 2
1 88 . 1 1 A 11 11 LYS CA C 373 56.413 55.926 0.487 2
1 89 . 1 1 A 11 11 LYS CB C 373 33.054 31.984 1.070 2
1 93 . 1 1 A 11 11 LYS N N 373 121.729 117.125 4.604 2
1 94 . 1 1 A 12 12 VAL H H 374 8.114 7.916 0.198 2
1 95 . 1 1 A 12 12 VAL HA H 374 4.086 4.787 -0.701 2
1 103 . 1 1 A 12 12 VAL CA C 374 62.169 59.767 2.402 2
1 104 . 1 1 A 12 12 VAL CB C 374 32.862 35.954 -3.092 2
1 107 . 1 1 A 12 12 VAL N N 374 121.704 120.468 1.236 2
1 108 . 1 1 A 13 13 LYS H H 375 8.415 8.367 0.048 2
1 109 . 1 1 A 13 13 LYS HA H 375 4.383 4.534 -0.151 2
1 118 . 1 1 A 13 13 LYS CA C 375 55.989 55.555 0.434 2
1 119 . 1 1 A 13 13 LYS CB C 375 33.159 32.072 1.087 2
1 123 . 1 1 A 13 13 LYS N N 375 126.419 125.296 1.123 2
1 124 . 1 1 A 14 14 ARG H H 376 8.753 8.097 0.656 2
1 125 . 1 1 A 14 14 ARG HA H 376 4.363 4.303 0.060 2
1 132 . 1 1 A 14 14 ARG CA C 376 56.293 56.630 -0.337 2
1 133 . 1 1 A 14 14 ARG CB C 376 32.331 30.865 1.466 2
1 136 . 1 1 A 14 14 ARG N N 376 123.397 124.982 -1.585 2
1 137 . 1 1 A 15 15 THR H H 377 8.081 8.326 -0.245 2
1 138 . 1 1 A 15 15 THR HA H 377 4.398 4.404 -0.006 2
1 143 . 1 1 A 15 15 THR CA C 377 61.533 62.343 -0.810 2
1 144 . 1 1 A 15 15 THR CB C 377 70.409 69.615 0.794 2
1 146 . 1 1 A 15 15 THR N N 377 117.600 117.412 0.188 2
1 147 . 1 1 A 16 16 SER H H 378 8.614 8.473 0.141 2
1 148 . 1 1 A 16 16 SER HA H 378 4.853 4.494 0.359 2
1 151 . 1 1 A 16 16 SER CA C 378 59.098 58.387 0.711 2
1 152 . 1 1 A 16 16 SER CB C 378 63.763 63.864 -0.101 2
1 153 . 1 1 A 16 16 SER N N 378 121.120 120.942 0.178 2
1 154 . 1 1 A 17 17 CYS H H 379 9.252 8.457 0.795 2
1 155 . 1 1 A 17 17 CYS HA H 379 3.994 4.566 -0.572 2
1 158 . 1 1 A 17 17 CYS CA C 379 60.962 59.190 1.772 2
1 159 . 1 1 A 17 17 CYS CB C 379 29.581 28.665 0.916 2
1 160 . 1 1 A 17 17 CYS N N 379 127.790 123.916 3.874 2
1 161 . 1 1 A 18 18 MET H H 380 8.831 8.727 0.104 2
1 162 . 1 1 A 18 18 MET HA H 380 4.212 4.083 0.129 2
1 170 . 1 1 A 18 18 MET CA C 380 58.209 58.058 0.151 2
1 171 . 1 1 A 18 18 MET CB C 380 31.936 31.671 0.265 2
1 174 . 1 1 A 18 18 MET N N 380 130.017 125.171 4.846 2
1 175 . 1 1 A 19 19 TYR H H 381 8.701 7.720 0.981 2
1 176 . 1 1 A 19 19 TYR HA H 381 4.579 4.595 -0.016 2
1 183 . 1 1 A 19 19 TYR CA C 381 58.762 58.846 -0.084 2
1 184 . 1 1 A 19 19 TYR CB C 381 37.595 38.781 -1.186 2
1 189 . 1 1 A 19 19 TYR N N 381 120.369 117.731 2.638 2
1 190 . 1 1 A 20 20 GLY H H 382 7.760 8.243 -0.483 2
1 191 . 1 1 A 20 20 GLY HA2 H 382 3.710 4.005 -0.295 2
1 192 . 1 1 A 20 20 GLY HA3 H 382 4.085 4.068 0.017 2
1 193 . 1 1 A 20 20 GLY CA C 382 47.627 47.487 0.140 2
1 194 . 1 1 A 20 20 GLY N N 382 107.481 108.553 -1.072 2
1 195 . 1 1 A 21 21 ALA H H 383 9.248 8.429 0.819 2
1 196 . 1 1 A 21 21 ALA HA H 383 4.354 4.394 -0.040 2
1 200 . 1 1 A 21 21 ALA CA C 383 53.398 52.290 1.108 2
1 201 . 1 1 A 21 21 ALA CB C 383 18.808 19.659 -0.851 2
1 202 . 1 1 A 21 21 ALA N N 383 128.449 129.237 -0.788 2
1 203 . 1 1 A 22 22 ASN H H 384 8.261 8.007 0.254 2
1 204 . 1 1 A 22 22 ASN HA H 384 4.944 5.029 -0.085 2
1 209 . 1 1 A 22 22 ASN CA C 384 52.140 52.943 -0.803 2
1 210 . 1 1 A 22 22 ASN CB C 384 38.940 39.730 -0.790 2
1 211 . 1 1 A 22 22 ASN N N 384 115.516 115.406 0.110 2
1 213 . 1 1 A 23 23 CYS H H 385 7.174 7.662 -0.488 2
1 214 . 1 1 A 23 23 CYS HA H 385 3.736 3.978 -0.242 2
1 217 . 1 1 A 23 23 CYS CA C 385 61.867 59.595 2.272 2
1 218 . 1 1 A 23 23 CYS CB C 385 29.434 28.087 1.347 2
1 219 . 1 1 A 23 23 CYS N N 385 121.580 120.540 1.040 2
1 220 . 1 1 A 24 24 TYR H H 386 7.680 7.917 -0.237 2
1 221 . 1 1 A 24 24 TYR HA H 386 4.858 4.476 0.382 2
1 228 . 1 1 A 24 24 TYR CA C 386 56.348 58.251 -1.903 2
1 229 . 1 1 A 24 24 TYR CB C 386 38.216 39.168 -0.952 2
1 234 . 1 1 A 24 24 TYR N N 386 126.676 123.620 3.056 2
1 235 . 1 1 A 25 25 ARG H H 387 7.988 6.285 1.703 2
1 236 . 1 1 A 25 25 ARG HA H 387 4.054 4.177 -0.123 2
1 243 . 1 1 A 25 25 ARG CA C 387 56.282 55.691 0.591 2
1 244 . 1 1 A 25 25 ARG CB C 387 29.894 30.365 -0.471 2
1 247 . 1 1 A 25 25 ARG N N 387 123.491 118.991 4.500 2
1 248 . 1 1 A 26 26 LYS H H 388 8.951 8.760 0.191 2
1 249 . 1 1 A 26 26 LYS HA H 388 4.635 4.703 -0.068 2
1 258 . 1 1 A 26 26 LYS CA C 388 55.605 55.092 0.513 2
1 259 . 1 1 A 26 26 LYS CB C 388 34.387 33.541 0.846 2
1 263 . 1 1 A 26 26 LYS N N 388 118.569 118.505 0.064 2
1 264 . 1 1 A 27 27 ASN H H 389 8.400 8.202 0.198 2
1 265 . 1 1 A 27 27 ASN HA H 389 4.950 5.179 -0.229 2
1 270 . 1 1 A 27 27 ASN CA C 389 51.827 49.943 1.884 2
1 271 . 1 1 A 27 27 ASN CB C 389 39.171 39.522 -0.351 2
1 272 . 1 1 A 27 27 ASN N N 389 122.702 121.207 1.495 2
1 274 . 1 1 A 28 28 PRO HA H 390 4.595 4.582 0.013 2
1 281 . 1 1 A 28 28 PRO CA C 390 65.632 65.584 0.048 2
1 282 . 1 1 A 28 28 PRO CB C 390 32.574 31.821 0.753 2
1 285 . 1 1 A 29 29 VAL H H 391 8.337 7.791 0.546 2
1 286 . 1 1 A 29 29 VAL HA H 391 3.818 4.229 -0.411 2
1 294 . 1 1 A 29 29 VAL CA C 391 65.608 64.982 0.626 2
1 295 . 1 1 A 29 29 VAL CB C 391 31.546 31.680 -0.134 2
1 298 . 1 1 A 29 29 VAL N N 391 117.431 116.105 1.326 2
1 299 . 1 1 A 30 30 HIS H H 392 8.037 8.135 -0.098 2
1 300 . 1 1 A 30 30 HIS HA H 392 4.565 4.174 0.391 2
1 305 . 1 1 A 30 30 HIS CA C 392 60.297 59.109 1.188 2
1 306 . 1 1 A 30 30 HIS CB C 392 27.700 29.589 -1.889 2
1 309 . 1 1 A 30 30 HIS N N 392 120.267 120.134 0.133 2
1 310 . 1 1 A 31 31 PHE H H 393 7.059 8.422 -1.363 2
1 311 . 1 1 A 31 31 PHE HA H 393 4.465 4.411 0.054 2
1 319 . 1 1 A 31 31 PHE CA C 393 59.951 61.705 -1.754 2
1 320 . 1 1 A 31 31 PHE CB C 393 38.577 38.378 0.199 2
1 326 . 1 1 A 31 31 PHE N N 393 114.802 117.893 -3.091 2
1 327 . 1 1 A 32 32 GLN H H 394 7.671 7.971 -0.300 2
1 328 . 1 1 A 32 32 GLN HA H 394 4.261 4.303 -0.042 2
1 335 . 1 1 A 32 32 GLN CA C 394 57.393 58.743 -1.350 2
1 336 . 1 1 A 32 32 GLN CB C 394 28.710 28.550 0.160 2
1 338 . 1 1 A 32 32 GLN N N 394 117.129 119.344 -2.215 2
1 340 . 1 1 A 33 33 HIS H H 395 7.581 7.633 -0.052 2
1 341 . 1 1 A 33 33 HIS HA H 395 4.498 4.198 0.300 2
1 346 . 1 1 A 33 33 HIS CA C 395 56.467 58.013 -1.546 2
1 347 . 1 1 A 33 33 HIS CB C 395 31.398 30.764 0.634 2
1 350 . 1 1 A 33 33 HIS N N 395 115.481 115.324 0.157 2
1 351 . 1 1 A 34 34 PHE H H 396 8.044 7.791 0.253 2
1 352 . 1 1 A 34 34 PHE HA H 396 5.398 5.169 0.229 2
1 360 . 1 1 A 34 34 PHE CA C 396 56.318 56.114 0.204 2
1 361 . 1 1 A 34 34 PHE CB C 396 41.617 42.115 -0.498 2
1 367 . 1 1 A 34 34 PHE N N 396 117.547 115.955 1.592 2
1 368 . 1 1 A 35 35 SER H H 397 8.603 9.514 -0.911 2
1 369 . 1 1 A 35 35 SER HA H 397 4.769 4.991 -0.222 2
1 372 . 1 1 A 35 35 SER CA C 397 56.350 57.537 -1.187 2
1 373 . 1 1 A 35 35 SER CB C 397 65.912 64.749 1.163 2
1 374 . 1 1 A 35 35 SER N N 397 114.732 118.252 -3.520 2
1 375 . 1 1 A 36 36 HIS H H 398 9.538 8.866 0.672 2
1 376 . 1 1 A 36 36 HIS HA H 398 4.572 5.128 -0.556 2
1 381 . 1 1 A 36 36 HIS CA C 398 56.432 53.880 2.552 2
1 382 . 1 1 A 36 36 HIS CB C 398 29.935 33.061 -3.126 2
1 385 . 1 1 A 36 36 HIS N N 398 120.612 119.828 0.784 2
1 386 . 1 1 A 37 37 PRO HA H 399 3.457 3.044 0.413 2
1 393 . 1 1 A 37 37 PRO CA C 399 64.278 63.083 1.195 2
1 394 . 1 1 A 37 37 PRO CB C 399 30.979 30.975 0.004 2
1 397 . 1 1 A 38 38 GLY H H 400 8.832 8.672 0.160 2
1 398 . 1 1 A 38 38 GLY HA2 H 400 3.593 3.796 -0.203 2
1 399 . 1 1 A 38 38 GLY HA3 H 400 4.522 3.805 0.717 2
1 400 . 1 1 A 38 38 GLY CA C 400 44.843 45.104 -0.261 2
1 401 . 1 1 A 38 38 GLY N N 400 115.162 112.194 2.968 2
1 402 . 1 1 A 39 39 ASP H H 401 8.505 7.517 0.988 2
1 403 . 1 1 A 39 39 ASP HA H 401 4.938 4.955 -0.017 2
1 406 . 1 1 A 39 39 ASP CA C 401 54.320 52.981 1.339 2
1 407 . 1 1 A 39 39 ASP CB C 401 41.893 42.943 -1.050 2
1 408 . 1 1 A 39 39 ASP N N 401 121.905 120.891 1.014 2
1 409 . 1 1 A 40 40 SER H H 402 9.378 9.047 0.331 2
1 410 . 1 1 A 40 40 SER HA H 402 4.281 4.172 0.109 2
1 413 . 1 1 A 40 40 SER CA C 402 61.078 61.207 -0.129 2
1 414 . 1 1 A 40 40 SER CB C 402 62.829 62.829 0.000 2
1 415 . 1 1 A 40 40 SER N N 402 119.493 118.440 1.053 2
1 416 . 1 1 A 41 41 ASP H H 403 8.924 7.937 0.987 2
1 417 . 1 1 A 41 41 ASP HA H 403 4.697 4.725 -0.028 2
1 420 . 1 1 A 41 41 ASP CA C 403 52.287 54.329 -2.042 2
1 421 . 1 1 A 41 41 ASP CB C 403 39.077 41.490 -2.413 2
1 422 . 1 1 A 41 41 ASP N N 403 116.599 118.734 -2.135 2
1 423 . 1 1 A 42 42 TYR H H 404 7.427 7.616 -0.189 2
1 424 . 1 1 A 42 42 TYR HA H 404 4.452 4.348 0.104 2
1 431 . 1 1 A 42 42 TYR CA C 404 59.218 59.766 -0.548 2
1 432 . 1 1 A 42 42 TYR CB C 404 39.543 39.102 0.441 2
1 437 . 1 1 A 42 42 TYR N N 404 122.560 123.031 -0.471 2
1 438 . 1 1 A 43 43 GLY H H 405 7.715 8.328 -0.613 2
1 439 . 1 1 A 43 43 GLY HA2 H 405 3.743 3.860 -0.117 2
1 440 . 1 1 A 43 43 GLY HA3 H 405 3.704 3.951 -0.247 2
1 441 . 1 1 A 43 43 GLY CA C 405 45.100 45.561 -0.461 2
1 442 . 1 1 A 43 43 GLY N N 405 114.997 113.137 1.860 2
1 443 . 1 1 A 44 44 GLY H H 406 7.088 7.123 -0.035 2
1 444 . 1 1 A 44 44 GLY HA2 H 406 3.887 3.762 0.125 2
1 445 . 1 1 A 44 44 GLY HA3 H 406 3.887 3.844 0.043 2
1 446 . 1 1 A 44 44 GLY CA C 406 45.011 45.608 -0.597 2
1 447 . 1 1 A 44 44 GLY N N 406 107.744 107.521 0.223 2
1 448 . 1 1 A 45 45 VAL H H 407 8.064 7.882 0.182 2
1 449 . 1 1 A 45 45 VAL HA H 407 4.147 4.228 -0.081 2
1 457 . 1 1 A 45 45 VAL CA C 407 62.222 61.890 0.332 2
1 458 . 1 1 A 45 45 VAL CB C 407 32.899 31.275 1.624 2
1 461 . 1 1 A 45 45 VAL N N 407 119.029 119.053 -0.024 2
1 462 . 1 1 A 46 46 GLN H H 408 8.506 8.390 0.116 2
1 463 . 1 1 A 46 46 GLN HA H 408 4.433 4.788 -0.355 2
1 470 . 1 1 A 46 46 GLN CA C 408 55.631 54.727 0.904 2
1 471 . 1 1 A 46 46 GLN CB C 408 29.682 28.941 0.741 2
1 473 . 1 1 A 46 46 GLN N N 408 124.737 123.366 1.371 2
1 475 . 1 1 A 47 47 ILE H H 409 8.330 8.674 -0.344 2
1 476 . 1 1 A 47 47 ILE HA H 409 4.237 4.299 -0.062 2
1 486 . 1 1 A 47 47 ILE CA C 409 60.885 60.973 -0.088 2
1 487 . 1 1 A 47 47 ILE CB C 409 38.690 36.691 1.999 2
1 491 . 1 1 A 47 47 ILE N N 409 123.582 124.525 -0.943 2
1 492 . 1 1 A 48 48 VAL H H 410 8.298 8.488 -0.190 2
1 493 . 1 1 A 48 48 VAL HA H 410 4.183 4.384 -0.201 2
1 501 . 1 1 A 48 48 VAL CA C 410 62.351 61.068 1.283 2
1 502 . 1 1 A 48 48 VAL CB C 410 32.841 31.963 0.878 2
1 505 . 1 1 A 48 48 VAL N N 410 125.073 126.381 -1.308 2
1 506 . 1 1 A 49 49 GLY H H 411 8.609 8.123 0.486 2
1 507 . 1 1 A 49 49 GLY HA2 H 411 4.032 4.009 0.023 2
1 508 . 1 1 A 49 49 GLY HA3 H 411 4.008 4.011 -0.003 2
1 509 . 1 1 A 49 49 GLY CA C 411 45.281 46.155 -0.874 2
1 510 . 1 1 A 49 49 GLY N N 411 113.133 114.575 -1.442 2
1 511 . 1 1 A 50 50 GLN H H 412 8.317 8.302 0.015 2
1 512 . 1 1 A 50 50 GLN HA H 412 4.403 4.038 0.365 2
1 519 . 1 1 A 50 50 GLN CA C 412 55.872 58.634 -2.762 2
1 520 . 1 1 A 50 50 GLN CB C 412 29.678 28.329 1.349 2
1 522 . 1 1 A 50 50 GLN N N 412 119.972 117.832 2.140 2
1 524 . 1 1 A 51 51 ASP H H 413 8.533 8.135 0.398 2
1 525 . 1 1 A 51 51 ASP HA H 413 4.646 4.775 -0.129 2
1 528 . 1 1 A 51 51 ASP CA C 413 54.459 53.521 0.938 2
1 529 . 1 1 A 51 51 ASP CB C 413 41.215 41.337 -0.122 2
1 530 . 1 1 A 51 51 ASP N N 413 121.378 116.973 4.405 2
1 531 . 1 1 A 52 52 GLU H H 414 8.457 7.889 0.568 2
1 532 . 1 1 A 52 52 GLU HA H 414 4.392 4.452 -0.060 2
1 537 . 1 1 A 52 52 GLU CA C 414 56.700 55.961 0.739 2
1 538 . 1 1 A 52 52 GLU CB C 414 30.238 29.579 0.659 2
1 540 . 1 1 A 52 52 GLU N N 414 121.491 120.182 1.309 2
1 541 . 1 1 A 53 53 THR H H 415 8.263 7.888 0.375 2
1 542 . 1 1 A 53 53 THR HA H 415 4.306 4.608 -0.302 2
1 547 . 1 1 A 53 53 THR CA C 415 62.113 60.278 1.835 2
1 548 . 1 1 A 53 53 THR CB C 415 69.912 68.849 1.063 2
1 550 . 1 1 A 53 53 THR N N 415 114.960 113.079 1.881 2
1 551 . 1 1 A 54 54 ASP H H 416 8.279 8.512 -0.233 2
1 552 . 1 1 A 54 54 ASP HA H 416 4.661 4.941 -0.280 2
1 555 . 1 1 A 54 54 ASP CA C 416 53.775 53.420 0.355 2
1 556 . 1 1 A 54 54 ASP CB C 416 41.188 41.328 -0.140 2
1 557 . 1 1 A 54 54 ASP N N 416 123.335 123.732 -0.397 2
stop_
save_