data_16466_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16466
_Entry.PDB_ID 2KNF
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 5 . 1 1 1 A 2 2 ASN H H 2 8.147 8.655 -0.508 1
1 6 . 1 1 1 A 2 2 ASN HA H 2 4.619 5.281 -0.662 1
1 10 . 1 1 1 A 2 2 ASN N N 2 117.923 120.352 -2.429 1
1 12 . 1 1 1 A 3 3 ALA H H 3 8.340 9.002 -0.662 1
1 13 . 1 1 1 A 3 3 ALA HA H 3 4.234 5.110 -0.876 1
1 17 . 1 1 1 A 3 3 ALA N N 3 124.095 119.646 4.449 1
1 18 . 1 1 1 A 4 4 ASP H H 4 8.408 9.613 -1.205 1
1 22 . 1 1 1 A 4 4 ASP N N 4 120.996 114.846 6.150 1
1 23 . 1 1 1 A 5 5 CYS H H 5 8.035 8.870 -0.835 1
1 24 . 1 1 1 A 5 5 CYS HA H 5 4.947 4.739 0.208 1
1 26 . 1 1 1 A 5 5 CYS N N 5 118.050 125.073 -7.023 1
1 27 . 1 1 1 A 6 6 MET H H 6 9.169 7.514 1.655 1
1 31 . 1 1 1 A 6 6 MET N N 6 117.506 107.285 10.221 1
1 32 . 1 1 1 A 7 7 PHE H H 7 9.290 8.560 0.730 1
1 33 . 1 1 1 A 7 7 PHE HA H 7 4.961 4.347 0.614 1
1 41 . 1 1 1 A 7 7 PHE N N 7 119.609 120.438 -0.829 1
1 42 . 1 1 1 A 8 8 GLY H H 8 9.314 8.042 1.272 1
1 43 . 1 1 1 A 8 8 GLY HA2 H 8 3.817 3.954 -0.137 1
1 44 . 1 1 1 A 8 8 GLY HA3 H 8 4.038 3.968 0.070 1
1 45 . 1 1 1 A 8 8 GLY N N 8 115.285 107.912 7.373 1
1 46 . 1 1 1 A 9 9 ASN H H 9 8.563 7.864 0.699 1
1 47 . 1 1 1 A 9 9 ASN HA H 9 4.788 4.693 0.095 1
1 52 . 1 1 1 A 9 9 ASN N N 9 121.190 121.793 -0.603 1
1 54 . 1 1 1 A 10 10 GLY H H 10 8.650 8.853 -0.203 1
1 57 . 1 1 1 A 10 10 GLY N N 10 104.975 128.433 -23.458 1
1 58 . 1 1 1 A 11 11 LYS H H 11 8.616 7.393 1.223 1
1 63 . 1 1 1 A 11 11 LYS N N 11 124.787 108.285 16.502 1
1 64 . 1 1 1 A 12 12 GLY H H 12 8.674 9.394 -0.720 1
1 67 . 1 1 1 A 12 12 GLY N N 12 102.671 116.465 -13.794 1
1 68 . 1 1 1 A 13 13 TYR H H 13 7.632 7.808 -0.176 1
1 69 . 1 1 1 A 13 13 TYR HA H 13 4.456 4.481 -0.025 1
1 76 . 1 1 1 A 13 13 TYR N N 13 120.588 120.612 -0.024 1
1 77 . 1 1 1 A 14 14 ARG H H 14 9.249 8.922 0.327 1
1 78 . 1 1 1 A 14 14 ARG HA H 14 4.109 4.549 -0.440 1
1 82 . 1 1 1 A 14 14 ARG N N 14 131.346 117.157 14.189 1
1 84 . 1 1 1 A 15 15 GLY H H 15 4.280 7.510 -3.230 1
1 87 . 1 1 1 A 15 15 GLY N N 15 104.876 111.506 -6.630 1
1 88 . 1 1 1 A 16 16 LYS H H 16 8.781 8.951 -0.170 1
1 89 . 1 1 1 A 16 16 LYS HA H 16 4.167 4.594 -0.427 1
1 95 . 1 1 1 A 16 16 LYS N N 16 116.399 114.343 2.056 1
1 96 . 1 1 1 A 17 17 ARG H H 17 7.493 8.992 -1.499 1
1 97 . 1 1 1 A 17 17 ARG HA H 17 4.360 3.870 0.490 1
1 104 . 1 1 1 A 17 17 ARG N N 17 121.452 118.057 3.395 1
1 106 . 1 1 1 A 18 18 VAL H H 18 8.298 7.631 0.667 1
1 107 . 1 1 1 A 18 18 VAL HA H 18 5.005 4.452 0.553 1
1 115 . 1 1 1 A 18 18 VAL N N 18 113.240 111.105 2.135 1
1 116 . 1 1 1 A 19 19 THR H H 19 7.209 8.118 -0.909 1
1 122 . 1 1 1 A 19 19 THR N N 19 111.368 111.863 -0.495 1
1 123 . 1 1 1 A 20 20 THR H H 20 8.518 7.620 0.898 1
1 124 . 1 1 1 A 20 20 THR HA H 20 4.605 4.346 0.259 1
1 129 . 1 1 1 A 20 20 THR N N 20 110.279 116.963 -6.684 1
1 131 . 1 1 1 A 21 21 VAL HA H 21 4.049 4.631 -0.582 1
1 139 . 1 1 1 A 21 21 VAL N N 21 116.629 141.971 -25.342 1
1 140 . 1 1 1 A 22 22 THR H H 22 7.376 8.415 -1.039 1
1 141 . 1 1 1 A 22 22 THR HA H 22 4.521 4.713 -0.192 1
1 145 . 1 1 1 A 22 22 THR N N 22 108.221 122.421 -14.200 1
1 146 . 1 1 1 A 23 23 GLY H H 23 8.345 9.011 -0.666 1
1 149 . 1 1 1 A 23 23 GLY N N 23 110.656 124.637 -13.981 1
1 150 . 1 1 1 A 24 24 THR H H 24 7.330 8.697 -1.367 1
1 151 . 1 1 1 A 24 24 THR HA H 24 4.419 4.908 -0.489 1
1 156 . 1 1 1 A 24 24 THR N N 24 119.053 122.908 -3.855 1
1 157 . 1 1 1 A 25 25 PRO HA H 25 4.601 4.715 -0.114 1
1 161 . 1 1 1 A 26 26 CYS H H 26 8.451 7.729 0.722 1
1 162 . 1 1 1 A 26 26 CYS HA H 26 4.715 4.286 0.429 1
1 165 . 1 1 1 A 26 26 CYS N N 26 123.739 121.095 2.644 1
1 166 . 1 1 1 A 27 27 GLN H H 27 9.557 8.238 1.319 1
1 167 . 1 1 1 A 27 27 GLN HA H 27 3.946 4.520 -0.574 1
1 174 . 1 1 1 A 27 27 GLN N N 27 126.620 119.885 6.735 1
1 176 . 1 1 1 A 28 28 ASP H H 28 8.849 8.756 0.093 1
1 177 . 1 1 1 A 28 28 ASP HA H 28 4.419 4.921 -0.502 1
1 180 . 1 1 1 A 28 28 ASP N N 28 126.815 119.588 7.227 1
1 181 . 1 1 1 A 29 29 TRP H H 29 7.982 7.850 0.132 1
1 182 . 1 1 1 A 29 29 TRP HA H 29 4.198 4.752 -0.554 1
1 191 . 1 1 1 A 29 29 TRP N N 29 123.876 118.010 5.866 1
1 194 . 1 1 1 A 30 30 ALA HA H 30 4.334 4.545 -0.211 1
1 198 . 1 1 1 A 30 30 ALA N N 30 114.831 138.778 -23.947 1
1 199 . 1 1 1 A 31 31 ALA H H 31 7.855 7.561 0.294 1
1 200 . 1 1 1 A 31 31 ALA HA H 31 4.604 4.885 -0.281 1
1 204 . 1 1 1 A 31 31 ALA N N 31 119.366 119.472 -0.106 1
1 205 . 1 1 1 A 32 32 GLN H H 32 6.836 8.596 -1.760 1
1 206 . 1 1 1 A 32 32 GLN HA H 32 4.254 4.271 -0.017 1
1 213 . 1 1 1 A 32 32 GLN N N 32 115.145 123.425 -8.280 1
1 215 . 1 1 1 A 33 33 GLU H H 33 8.729 8.745 -0.016 1
1 216 . 1 1 1 A 33 33 GLU HA H 33 4.464 5.141 -0.677 1
1 221 . 1 1 1 A 33 33 GLU N N 33 118.546 118.234 0.312 1
1 222 . 1 1 1 A 34 34 PRO HA H 34 4.507 4.373 0.134 1
1 226 . 1 1 1 A 35 35 HIS H H 35 9.736 7.388 2.348 1
1 227 . 1 1 1 A 35 35 HIS HA H 35 4.861 4.475 0.386 1
1 230 . 1 1 1 A 35 35 HIS N N 35 117.871 116.758 1.113 1
1 231 . 1 1 1 A 36 36 ARG H H 36 9.255 7.848 1.407 1
1 232 . 1 1 1 A 36 36 ARG HA H 36 4.368 4.768 -0.400 1
1 234 . 1 1 1 A 36 36 ARG N N 36 119.886 118.945 0.941 1
1 235 . 1 1 1 A 37 37 HIS H H 37 8.487 8.074 0.413 1
1 236 . 1 1 1 A 37 37 HIS HA H 37 4.969 5.084 -0.115 1
1 242 . 1 1 1 A 37 37 HIS N N 37 118.654 110.066 8.588 1
1 245 . 1 1 1 A 38 38 SER HA H 38 4.516 4.414 0.102 1
1 248 . 1 1 1 A 38 38 SER N N 38 126.261 136.411 -10.150 1
1 249 . 1 1 1 A 39 39 ILE H H 39 8.191 8.318 -0.127 1
1 250 . 1 1 1 A 39 39 ILE HA H 39 5.197 4.332 0.865 1
1 259 . 1 1 1 A 39 39 ILE N N 39 106.468 117.100 -10.632 1
1 260 . 1 1 1 A 40 40 PHE H H 40 8.158 7.783 0.375 1
1 261 . 1 1 1 A 40 40 PHE HA H 40 4.099 4.401 -0.302 1
1 269 . 1 1 1 A 40 40 PHE N N 40 116.320 109.950 6.370 1
1 270 . 1 1 1 A 41 41 THR H H 41 7.254 7.868 -0.614 1
1 271 . 1 1 1 A 41 41 THR HA H 41 4.503 5.242 -0.739 1
1 273 . 1 1 1 A 41 41 THR N N 41 113.915 119.661 -5.746 1
1 274 . 1 1 1 A 42 42 PRO HA H 42 4.166 4.473 -0.307 1
1 280 . 1 1 1 A 43 43 GLU H H 43 7.824 8.595 -0.771 1
1 281 . 1 1 1 A 43 43 GLU HA H 43 4.161 4.559 -0.398 1
1 284 . 1 1 1 A 43 43 GLU N N 43 112.032 117.364 -5.332 1
1 285 . 1 1 1 A 44 44 THR H H 44 7.859 7.664 0.195 1
1 286 . 1 1 1 A 44 44 THR HA H 44 4.213 4.380 -0.167 1
1 287 . 1 1 1 A 44 44 THR N N 44 109.971 120.850 -10.879 1
1 288 . 1 1 1 A 45 45 ASN H H 45 7.828 8.024 -0.196 1
1 294 . 1 1 1 A 45 45 ASN N N 45 118.292 107.983 10.309 1
1 299 . 1 1 1 A 47 47 ARG H H 47 8.778 8.300 0.478 1
1 300 . 1 1 1 A 47 47 ARG HA H 47 4.594 4.974 -0.380 1
1 307 . 1 1 1 A 47 47 ARG N N 47 117.742 124.704 -6.962 1
1 309 . 1 1 1 A 48 48 ALA H H 48 7.139 8.960 -1.821 1
1 310 . 1 1 1 A 48 48 ALA HA H 48 4.439 3.946 0.493 1
1 314 . 1 1 1 A 48 48 ALA N N 48 119.525 119.307 0.218 1
1 315 . 1 1 1 A 49 49 GLY H H 49 8.256 8.176 0.080 1
1 318 . 1 1 1 A 49 49 GLY N N 49 108.423 122.253 -13.830 1
1 319 . 1 1 1 A 50 50 LEU H H 50 9.144 7.474 1.670 1
1 320 . 1 1 1 A 50 50 LEU HA H 50 3.268 4.813 -1.545 1
1 330 . 1 1 1 A 50 50 LEU N N 50 121.605 121.403 0.202 1
1 331 . 1 1 1 A 51 51 GLU H H 51 7.651 9.466 -1.815 1
1 332 . 1 1 1 A 51 51 GLU HA H 51 4.504 4.962 -0.458 1
1 335 . 1 1 1 A 51 51 GLU N N 51 124.470 122.813 1.657 1
1 336 . 1 1 1 A 52 52 LYS H H 52 8.878 8.741 0.137 1
1 337 . 1 1 1 A 52 52 LYS HA H 52 3.618 5.015 -1.397 1
1 341 . 1 1 1 A 52 52 LYS N N 52 118.010 122.423 -4.413 1
1 342 . 1 1 1 A 53 53 ASN H H 53 7.874 8.316 -0.442 1
1 343 . 1 1 1 A 53 53 ASN HA H 53 4.574 5.275 -0.701 1
1 348 . 1 1 1 A 53 53 ASN N N 53 122.833 120.212 2.621 1
1 351 . 1 1 1 A 54 54 TYR HA H 54 4.992 4.379 0.613 1
1 358 . 1 1 1 A 54 54 TYR N N 54 112.865 138.865 -26.000 1
1 359 . 1 1 1 A 55 55 CYS H H 55 8.917 8.172 0.745 1
1 360 . 1 1 1 A 55 55 CYS HA H 55 4.488 4.835 -0.347 1
1 363 . 1 1 1 A 55 55 CYS N N 55 118.745 115.531 3.214 1
1 364 . 1 1 1 A 56 56 ARG H H 56 9.470 7.909 1.561 1
1 372 . 1 1 1 A 56 56 ARG N N 56 123.525 109.622 13.903 1
1 374 . 1 1 1 A 57 57 ASN H H 57 8.417 8.376 0.041 1
1 375 . 1 1 1 A 57 57 ASN HA H 57 5.540 4.651 0.889 1
1 380 . 1 1 1 A 57 57 ASN N N 57 113.293 120.513 -7.220 1
1 382 . 1 1 1 A 58 58 PRO HA H 58 4.454 4.563 -0.109 1
1 389 . 1 1 1 A 59 59 ASP H H 59 9.547 8.101 1.446 1
1 393 . 1 1 1 A 59 59 ASP N N 59 114.552 110.337 4.215 1
1 394 . 1 1 1 A 60 60 GLY H H 60 7.436 7.407 0.029 1
1 395 . 1 1 1 A 60 60 GLY HA2 H 60 3.311 4.147 -0.836 1
1 396 . 1 1 1 A 60 60 GLY HA3 H 60 3.799 4.151 -0.352 1
1 397 . 1 1 1 A 60 60 GLY N N 60 109.636 106.929 2.707 1
1 399 . 1 1 1 A 61 61 ASP HA H 61 4.369 4.941 -0.572 1
1 401 . 1 1 1 A 61 61 ASP N N 61 123.255 133.100 -9.845 1
1 402 . 1 1 1 A 62 62 VAL H H 62 8.871 9.059 -0.188 1
1 403 . 1 1 1 A 62 62 VAL HA H 62 3.997 5.342 -1.345 1
1 411 . 1 1 1 A 62 62 VAL N N 62 127.998 118.834 9.164 1
1 412 . 1 1 1 A 63 63 GLY H H 63 9.855 8.905 0.950 1
1 415 . 1 1 1 A 63 63 GLY N N 63 109.474 116.940 -7.466 1
1 416 . 1 1 1 A 64 64 GLY H H 64 7.718 8.101 -0.383 1
1 419 . 1 1 1 A 64 64 GLY N N 64 107.373 119.078 -11.705 1
1 420 . 1 1 1 A 65 65 PRO HA H 65 4.004 4.990 -0.986 1
1 423 . 1 1 1 A 66 66 TRP H H 66 8.894 8.599 0.295 1
1 424 . 1 1 1 A 66 66 TRP HA H 66 5.340 4.465 0.875 1
1 433 . 1 1 1 A 66 66 TRP N N 66 122.955 114.099 8.856 1
1 435 . 1 1 1 A 67 67 CYS H H 67 8.673 7.700 0.973 1
1 436 . 1 1 1 A 67 67 CYS HA H 67 4.427 5.103 -0.676 1
1 439 . 1 1 1 A 67 67 CYS N N 67 109.130 122.459 -13.329 1
1 441 . 1 1 1 A 68 68 TYR HA H 68 5.167 4.474 0.693 1
1 448 . 1 1 1 A 68 68 TYR N N 68 121.963 141.499 -19.536 1
1 449 . 1 1 1 A 69 69 THR H H 69 7.813 8.789 -0.976 1
1 450 . 1 1 1 A 69 69 THR HA H 69 5.255 4.221 1.034 1
1 456 . 1 1 1 A 69 69 THR N N 69 111.504 117.748 -6.244 1
1 457 . 1 1 1 A 70 70 THR H H 70 7.778 7.415 0.363 1
1 458 . 1 1 1 A 70 70 THR HA H 70 3.977 4.757 -0.780 1
1 463 . 1 1 1 A 70 70 THR N N 70 105.004 115.283 -10.279 1
1 464 . 1 1 1 A 71 71 ASN H H 71 8.714 8.647 0.067 1
1 465 . 1 1 1 A 71 71 ASN HA H 71 5.035 4.325 0.710 1
1 470 . 1 1 1 A 71 71 ASN N N 71 122.506 120.320 2.186 1
1 472 . 1 1 1 A 72 72 PRO HA H 72 3.766 5.169 -1.403 1
1 476 . 1 1 1 A 73 73 ARG H H 73 8.036 8.691 -0.655 1
1 477 . 1 1 1 A 73 73 ARG HA H 73 4.384 4.871 -0.487 1
1 482 . 1 1 1 A 73 73 ARG N N 73 113.053 119.938 -6.885 1
1 484 . 1 1 1 A 74 74 LYS H H 74 7.664 8.809 -1.145 1
1 485 . 1 1 1 A 74 74 LYS HA H 74 4.597 5.032 -0.435 1
1 489 . 1 1 1 A 74 74 LYS N N 74 121.711 118.577 3.134 1
1 490 . 1 1 1 A 75 75 LEU H H 75 8.805 9.202 -0.397 1
1 491 . 1 1 1 A 75 75 LEU HA H 75 2.354 5.258 -2.904 1
1 492 . 1 1 1 A 75 75 LEU N N 75 130.480 120.558 9.922 1
1 493 . 1 1 1 A 76 76 TYR H H 76 7.149 8.931 -1.782 1
1 494 . 1 1 1 A 76 76 TYR HA H 76 5.410 5.032 0.378 1
1 499 . 1 1 1 A 76 76 TYR N N 76 107.886 123.455 -15.569 1
1 500 . 1 1 1 A 77 77 ASP H H 77 8.557 8.571 -0.014 1
1 501 . 1 1 1 A 77 77 ASP HA H 77 4.095 4.735 -0.640 1
1 504 . 1 1 1 A 77 77 ASP N N 77 116.171 125.197 -9.026 1
1 506 . 1 1 1 A 78 78 TYR HA H 78 4.577 4.476 0.101 1
1 513 . 1 1 1 A 78 78 TYR N N 78 118.199 140.905 -22.706 1
1 514 . 1 1 1 A 79 79 CYS H H 79 8.718 8.468 0.250 1
1 515 . 1 1 1 A 79 79 CYS HA H 79 4.758 4.230 0.528 1
1 518 . 1 1 1 A 79 79 CYS N N 79 116.747 120.866 -4.119 1
1 519 . 1 1 1 A 80 80 ASP H H 80 9.093 9.605 -0.512 1
1 520 . 1 1 1 A 80 80 ASP HA H 80 4.568 4.197 0.371 1
1 523 . 1 1 1 A 80 80 ASP N N 80 122.193 125.771 -3.578 1
1 524 . 1 1 1 A 81 81 VAL H H 81 7.782 7.143 0.639 1
1 525 . 1 1 1 A 81 81 VAL HA H 81 4.102 4.395 -0.293 1
1 533 . 1 1 1 A 81 81 VAL N N 81 123.869 121.723 2.146 1
1 5 . 2 1 1 A 2 2 ASN H H 2 8.147 8.640 -0.493 1
1 6 . 2 1 1 A 2 2 ASN HA H 2 4.619 5.254 -0.635 1
1 10 . 2 1 1 A 2 2 ASN N N 2 117.923 119.961 -2.038 1
1 12 . 2 1 1 A 3 3 ALA H H 3 8.340 9.026 -0.686 1
1 13 . 2 1 1 A 3 3 ALA HA H 3 4.234 5.130 -0.896 1
1 17 . 2 1 1 A 3 3 ALA N N 3 124.095 120.498 3.597 1
1 18 . 2 1 1 A 4 4 ASP H H 4 8.408 9.602 -1.194 1
1 22 . 2 1 1 A 4 4 ASP N N 4 120.996 114.744 6.252 1
1 23 . 2 1 1 A 5 5 CYS H H 5 8.035 8.869 -0.834 1
1 24 . 2 1 1 A 5 5 CYS HA H 5 4.947 4.740 0.207 1
1 26 . 2 1 1 A 5 5 CYS N N 5 118.050 125.073 -7.023 1
1 27 . 2 1 1 A 6 6 MET H H 6 9.169 7.518 1.651 1
1 31 . 2 1 1 A 6 6 MET N N 6 117.506 107.119 10.387 1
1 32 . 2 1 1 A 7 7 PHE H H 7 9.290 8.550 0.740 1
1 33 . 2 1 1 A 7 7 PHE HA H 7 4.961 4.285 0.676 1
1 41 . 2 1 1 A 7 7 PHE N N 7 119.609 120.514 -0.905 1
1 42 . 2 1 1 A 8 8 GLY H H 8 9.314 8.065 1.249 1
1 43 . 2 1 1 A 8 8 GLY HA2 H 8 3.817 3.946 -0.129 1
1 44 . 2 1 1 A 8 8 GLY HA3 H 8 4.038 3.956 0.082 1
1 45 . 2 1 1 A 8 8 GLY N N 8 115.285 107.660 7.625 1
1 46 . 2 1 1 A 9 9 ASN H H 9 8.563 7.881 0.682 1
1 47 . 2 1 1 A 9 9 ASN HA H 9 4.788 4.664 0.124 1
1 52 . 2 1 1 A 9 9 ASN N N 9 121.190 121.915 -0.725 1
1 54 . 2 1 1 A 10 10 GLY H H 10 8.650 8.884 -0.234 1
1 57 . 2 1 1 A 10 10 GLY N N 10 104.975 128.690 -23.715 1
1 58 . 2 1 1 A 11 11 LYS H H 11 8.616 7.543 1.073 1
1 63 . 2 1 1 A 11 11 LYS N N 11 124.787 108.503 16.284 1
1 64 . 2 1 1 A 12 12 GLY H H 12 8.674 9.058 -0.384 1
1 67 . 2 1 1 A 12 12 GLY N N 12 102.671 116.514 -13.843 1
1 68 . 2 1 1 A 13 13 TYR H H 13 7.632 7.801 -0.169 1
1 69 . 2 1 1 A 13 13 TYR HA H 13 4.456 4.472 -0.016 1
1 76 . 2 1 1 A 13 13 TYR N N 13 120.588 120.647 -0.059 1
1 77 . 2 1 1 A 14 14 ARG H H 14 9.249 8.911 0.338 1
1 78 . 2 1 1 A 14 14 ARG HA H 14 4.109 4.561 -0.452 1
1 82 . 2 1 1 A 14 14 ARG N N 14 131.346 117.311 14.035 1
1 84 . 2 1 1 A 15 15 GLY H H 15 4.280 7.508 -3.228 1
1 87 . 2 1 1 A 15 15 GLY N N 15 104.876 111.597 -6.721 1
1 88 . 2 1 1 A 16 16 LYS H H 16 8.781 8.847 -0.066 1
1 89 . 2 1 1 A 16 16 LYS HA H 16 4.167 4.624 -0.457 1
1 95 . 2 1 1 A 16 16 LYS N N 16 116.399 114.882 1.517 1
1 96 . 2 1 1 A 17 17 ARG H H 17 7.493 9.164 -1.671 1
1 97 . 2 1 1 A 17 17 ARG HA H 17 4.360 3.871 0.489 1
1 104 . 2 1 1 A 17 17 ARG N N 17 121.452 118.232 3.220 1
1 106 . 2 1 1 A 18 18 VAL H H 18 8.298 7.689 0.609 1
1 107 . 2 1 1 A 18 18 VAL HA H 18 5.005 4.444 0.561 1
1 115 . 2 1 1 A 18 18 VAL N N 18 113.240 111.119 2.121 1
1 116 . 2 1 1 A 19 19 THR H H 19 7.209 8.176 -0.967 1
1 122 . 2 1 1 A 19 19 THR N N 19 111.368 111.644 -0.276 1
1 123 . 2 1 1 A 20 20 THR H H 20 8.518 7.654 0.864 1
1 124 . 2 1 1 A 20 20 THR HA H 20 4.605 4.349 0.256 1
1 129 . 2 1 1 A 20 20 THR N N 20 110.279 117.038 -6.759 1
1 131 . 2 1 1 A 21 21 VAL HA H 21 4.049 4.519 -0.470 1
1 139 . 2 1 1 A 21 21 VAL N N 21 116.629 141.974 -25.345 1
1 140 . 2 1 1 A 22 22 THR H H 22 7.376 8.322 -0.946 1
1 141 . 2 1 1 A 22 22 THR HA H 22 4.521 4.707 -0.186 1
1 145 . 2 1 1 A 22 22 THR N N 22 108.221 122.421 -14.200 1
1 146 . 2 1 1 A 23 23 GLY H H 23 8.345 9.015 -0.670 1
1 149 . 2 1 1 A 23 23 GLY N N 23 110.656 124.328 -13.672 1
1 150 . 2 1 1 A 24 24 THR H H 24 7.330 8.351 -1.021 1
1 151 . 2 1 1 A 24 24 THR HA H 24 4.419 4.968 -0.549 1
1 156 . 2 1 1 A 24 24 THR N N 24 119.053 123.211 -4.158 1
1 157 . 2 1 1 A 25 25 PRO HA H 25 4.601 4.678 -0.077 1
1 161 . 2 1 1 A 26 26 CYS H H 26 8.451 7.731 0.720 1
1 162 . 2 1 1 A 26 26 CYS HA H 26 4.715 4.291 0.424 1
1 165 . 2 1 1 A 26 26 CYS N N 26 123.739 120.705 3.034 1
1 166 . 2 1 1 A 27 27 GLN H H 27 9.557 8.166 1.391 1
1 167 . 2 1 1 A 27 27 GLN HA H 27 3.946 4.548 -0.602 1
1 174 . 2 1 1 A 27 27 GLN N N 27 126.620 120.225 6.395 1
1 176 . 2 1 1 A 28 28 ASP H H 28 8.849 8.689 0.160 1
1 177 . 2 1 1 A 28 28 ASP HA H 28 4.419 4.965 -0.546 1
1 180 . 2 1 1 A 28 28 ASP N N 28 126.815 120.026 6.789 1
1 181 . 2 1 1 A 29 29 TRP H H 29 7.982 7.854 0.128 1
1 182 . 2 1 1 A 29 29 TRP HA H 29 4.198 4.759 -0.561 1
1 191 . 2 1 1 A 29 29 TRP N N 29 123.876 118.122 5.754 1
1 194 . 2 1 1 A 30 30 ALA HA H 30 4.334 4.547 -0.213 1
1 198 . 2 1 1 A 30 30 ALA N N 30 114.831 138.624 -23.793 1
1 199 . 2 1 1 A 31 31 ALA H H 31 7.855 7.545 0.310 1
1 200 . 2 1 1 A 31 31 ALA HA H 31 4.604 4.914 -0.310 1
1 204 . 2 1 1 A 31 31 ALA N N 31 119.366 119.601 -0.235 1
1 205 . 2 1 1 A 32 32 GLN H H 32 6.836 8.794 -1.958 1
1 206 . 2 1 1 A 32 32 GLN HA H 32 4.254 4.510 -0.256 1
1 213 . 2 1 1 A 32 32 GLN N N 32 115.145 124.635 -9.490 1
1 215 . 2 1 1 A 33 33 GLU H H 33 8.729 8.655 0.074 1
1 216 . 2 1 1 A 33 33 GLU HA H 33 4.464 5.124 -0.660 1
1 221 . 2 1 1 A 33 33 GLU N N 33 118.546 119.799 -1.253 1
1 222 . 2 1 1 A 34 34 PRO HA H 34 4.507 4.296 0.211 1
1 226 . 2 1 1 A 35 35 HIS H H 35 9.736 7.554 2.182 1
1 227 . 2 1 1 A 35 35 HIS HA H 35 4.861 4.428 0.433 1
1 230 . 2 1 1 A 35 35 HIS N N 35 117.871 117.566 0.305 1
1 231 . 2 1 1 A 36 36 ARG H H 36 9.255 7.860 1.395 1
1 232 . 2 1 1 A 36 36 ARG HA H 36 4.368 4.888 -0.520 1
1 234 . 2 1 1 A 36 36 ARG N N 36 119.886 119.124 0.762 1
1 235 . 2 1 1 A 37 37 HIS H H 37 8.487 8.093 0.394 1
1 236 . 2 1 1 A 37 37 HIS HA H 37 4.969 5.058 -0.089 1
1 242 . 2 1 1 A 37 37 HIS N N 37 118.654 110.312 8.342 1
1 245 . 2 1 1 A 38 38 SER HA H 38 4.516 4.412 0.104 1
1 248 . 2 1 1 A 38 38 SER N N 38 126.261 136.584 -10.323 1
1 249 . 2 1 1 A 39 39 ILE H H 39 8.191 8.465 -0.274 1
1 250 . 2 1 1 A 39 39 ILE HA H 39 5.197 4.310 0.887 1
1 259 . 2 1 1 A 39 39 ILE N N 39 106.468 116.875 -10.407 1
1 260 . 2 1 1 A 40 40 PHE H H 40 8.158 7.595 0.563 1
1 261 . 2 1 1 A 40 40 PHE HA H 40 4.099 4.320 -0.221 1
1 269 . 2 1 1 A 40 40 PHE N N 40 116.320 111.505 4.815 1
1 270 . 2 1 1 A 41 41 THR H H 41 7.254 7.786 -0.532 1
1 271 . 2 1 1 A 41 41 THR HA H 41 4.503 5.252 -0.749 1
1 273 . 2 1 1 A 41 41 THR N N 41 113.915 119.670 -5.755 1
1 274 . 2 1 1 A 42 42 PRO HA H 42 4.166 4.473 -0.307 1
1 280 . 2 1 1 A 43 43 GLU H H 43 7.824 8.539 -0.715 1
1 281 . 2 1 1 A 43 43 GLU HA H 43 4.161 4.611 -0.450 1
1 284 . 2 1 1 A 43 43 GLU N N 43 112.032 117.387 -5.355 1
1 285 . 2 1 1 A 44 44 THR H H 44 7.859 7.688 0.171 1
1 286 . 2 1 1 A 44 44 THR HA H 44 4.213 4.373 -0.160 1
1 287 . 2 1 1 A 44 44 THR N N 44 109.971 121.153 -11.182 1
1 288 . 2 1 1 A 45 45 ASN H H 45 7.828 8.010 -0.182 1
1 294 . 2 1 1 A 45 45 ASN N N 45 118.292 107.794 10.498 1
1 299 . 2 1 1 A 47 47 ARG H H 47 8.778 7.630 1.148 1
1 300 . 2 1 1 A 47 47 ARG HA H 47 4.594 4.877 -0.283 1
1 307 . 2 1 1 A 47 47 ARG N N 47 117.742 124.416 -6.674 1
1 309 . 2 1 1 A 48 48 ALA H H 48 7.139 8.914 -1.775 1
1 310 . 2 1 1 A 48 48 ALA HA H 48 4.439 4.089 0.350 1
1 314 . 2 1 1 A 48 48 ALA N N 48 119.525 120.027 -0.502 1
1 315 . 2 1 1 A 49 49 GLY H H 49 8.256 8.300 -0.044 1
1 318 . 2 1 1 A 49 49 GLY N N 49 108.423 121.689 -13.266 1
1 319 . 2 1 1 A 50 50 LEU H H 50 9.144 7.241 1.903 1
1 320 . 2 1 1 A 50 50 LEU HA H 50 3.268 4.689 -1.421 1
1 330 . 2 1 1 A 50 50 LEU N N 50 121.605 121.354 0.251 1
1 331 . 2 1 1 A 51 51 GLU H H 51 7.651 9.402 -1.751 1
1 332 . 2 1 1 A 51 51 GLU HA H 51 4.504 4.962 -0.458 1
1 335 . 2 1 1 A 51 51 GLU N N 51 124.470 123.282 1.188 1
1 336 . 2 1 1 A 52 52 LYS H H 52 8.878 8.627 0.251 1
1 337 . 2 1 1 A 52 52 LYS HA H 52 3.618 4.964 -1.346 1
1 341 . 2 1 1 A 52 52 LYS N N 52 118.010 122.068 -4.058 1
1 342 . 2 1 1 A 53 53 ASN H H 53 7.874 8.363 -0.489 1
1 343 . 2 1 1 A 53 53 ASN HA H 53 4.574 5.270 -0.696 1
1 348 . 2 1 1 A 53 53 ASN N N 53 122.833 121.044 1.789 1
1 351 . 2 1 1 A 54 54 TYR HA H 54 4.992 4.485 0.507 1
1 358 . 2 1 1 A 54 54 TYR N N 54 112.865 139.099 -26.234 1
1 359 . 2 1 1 A 55 55 CYS H H 55 8.917 8.179 0.738 1
1 360 . 2 1 1 A 55 55 CYS HA H 55 4.488 4.811 -0.323 1
1 363 . 2 1 1 A 55 55 CYS N N 55 118.745 116.261 2.484 1
1 364 . 2 1 1 A 56 56 ARG H H 56 9.470 7.925 1.545 1
1 372 . 2 1 1 A 56 56 ARG N N 56 123.525 109.442 14.083 1
1 374 . 2 1 1 A 57 57 ASN H H 57 8.417 8.571 -0.154 1
1 375 . 2 1 1 A 57 57 ASN HA H 57 5.540 4.642 0.898 1
1 380 . 2 1 1 A 57 57 ASN N N 57 113.293 120.693 -7.400 1
1 382 . 2 1 1 A 58 58 PRO HA H 58 4.454 4.518 -0.064 1
1 389 . 2 1 1 A 59 59 ASP H H 59 9.547 8.314 1.233 1
1 393 . 2 1 1 A 59 59 ASP N N 59 114.552 109.748 4.804 1
1 394 . 2 1 1 A 60 60 GLY H H 60 7.436 7.483 -0.047 1
1 395 . 2 1 1 A 60 60 GLY HA2 H 60 3.311 4.157 -0.846 1
1 396 . 2 1 1 A 60 60 GLY HA3 H 60 3.799 4.171 -0.372 1
1 397 . 2 1 1 A 60 60 GLY N N 60 109.636 107.191 2.445 1
1 399 . 2 1 1 A 61 61 ASP HA H 61 4.369 4.925 -0.556 1
1 401 . 2 1 1 A 61 61 ASP N N 61 123.255 132.953 -9.698 1
1 402 . 2 1 1 A 62 62 VAL H H 62 8.871 8.564 0.307 1
1 403 . 2 1 1 A 62 62 VAL HA H 62 3.997 5.268 -1.271 1
1 411 . 2 1 1 A 62 62 VAL N N 62 127.998 118.508 9.490 1
1 412 . 2 1 1 A 63 63 GLY H H 63 9.855 8.924 0.931 1
1 415 . 2 1 1 A 63 63 GLY N N 63 109.474 116.833 -7.359 1
1 416 . 2 1 1 A 64 64 GLY H H 64 7.718 8.070 -0.352 1
1 419 . 2 1 1 A 64 64 GLY N N 64 107.373 119.057 -11.684 1
1 420 . 2 1 1 A 65 65 PRO HA H 65 4.004 4.907 -0.903 1
1 423 . 2 1 1 A 66 66 TRP H H 66 8.894 8.696 0.198 1
1 424 . 2 1 1 A 66 66 TRP HA H 66 5.340 4.373 0.967 1
1 433 . 2 1 1 A 66 66 TRP N N 66 122.955 114.700 8.255 1
1 435 . 2 1 1 A 67 67 CYS H H 67 8.673 7.637 1.036 1
1 436 . 2 1 1 A 67 67 CYS HA H 67 4.427 5.025 -0.598 1
1 439 . 2 1 1 A 67 67 CYS N N 67 109.130 122.777 -13.647 1
1 441 . 2 1 1 A 68 68 TYR HA H 68 5.167 4.471 0.696 1
1 448 . 2 1 1 A 68 68 TYR N N 68 121.963 141.512 -19.549 1
1 449 . 2 1 1 A 69 69 THR H H 69 7.813 8.590 -0.777 1
1 450 . 2 1 1 A 69 69 THR HA H 69 5.255 4.230 1.025 1
1 456 . 2 1 1 A 69 69 THR N N 69 111.504 117.649 -6.145 1
1 457 . 2 1 1 A 70 70 THR H H 70 7.778 7.504 0.274 1
1 458 . 2 1 1 A 70 70 THR HA H 70 3.977 4.799 -0.822 1
1 463 . 2 1 1 A 70 70 THR N N 70 105.004 115.498 -10.494 1
1 464 . 2 1 1 A 71 71 ASN H H 71 8.714 8.638 0.076 1
1 465 . 2 1 1 A 71 71 ASN HA H 71 5.035 4.453 0.582 1
1 470 . 2 1 1 A 71 71 ASN N N 71 122.506 120.436 2.070 1
1 472 . 2 1 1 A 72 72 PRO HA H 72 3.766 5.207 -1.441 1
1 476 . 2 1 1 A 73 73 ARG H H 73 8.036 8.674 -0.638 1
1 477 . 2 1 1 A 73 73 ARG HA H 73 4.384 5.109 -0.725 1
1 482 . 2 1 1 A 73 73 ARG N N 73 113.053 120.101 -7.048 1
1 484 . 2 1 1 A 74 74 LYS H H 74 7.664 8.904 -1.240 1
1 485 . 2 1 1 A 74 74 LYS HA H 74 4.597 5.028 -0.431 1
1 489 . 2 1 1 A 74 74 LYS N N 74 121.711 119.113 2.598 1
1 490 . 2 1 1 A 75 75 LEU H H 75 8.805 9.375 -0.570 1
1 491 . 2 1 1 A 75 75 LEU HA H 75 2.354 5.230 -2.876 1
1 492 . 2 1 1 A 75 75 LEU N N 75 130.480 120.411 10.069 1
1 493 . 2 1 1 A 76 76 TYR H H 76 7.149 8.894 -1.745 1
1 494 . 2 1 1 A 76 76 TYR HA H 76 5.410 5.003 0.407 1
1 499 . 2 1 1 A 76 76 TYR N N 76 107.886 123.535 -15.649 1
1 500 . 2 1 1 A 77 77 ASP H H 77 8.557 8.793 -0.236 1
1 501 . 2 1 1 A 77 77 ASP HA H 77 4.095 4.676 -0.581 1
1 504 . 2 1 1 A 77 77 ASP N N 77 116.171 124.770 -8.599 1
1 506 . 2 1 1 A 78 78 TYR HA H 78 4.577 4.478 0.099 1
1 513 . 2 1 1 A 78 78 TYR N N 78 118.199 140.715 -22.516 1
1 514 . 2 1 1 A 79 79 CYS H H 79 8.718 8.466 0.252 1
1 515 . 2 1 1 A 79 79 CYS HA H 79 4.758 4.344 0.414 1
1 518 . 2 1 1 A 79 79 CYS N N 79 116.747 120.797 -4.050 1
1 519 . 2 1 1 A 80 80 ASP H H 80 9.093 9.689 -0.596 1
1 520 . 2 1 1 A 80 80 ASP HA H 80 4.568 4.189 0.379 1
1 523 . 2 1 1 A 80 80 ASP N N 80 122.193 125.767 -3.574 1
1 524 . 2 1 1 A 81 81 VAL H H 81 7.782 7.269 0.513 1
1 525 . 2 1 1 A 81 81 VAL HA H 81 4.102 4.466 -0.364 1
1 533 . 2 1 1 A 81 81 VAL N N 81 123.869 121.560 2.309 1
1 5 . 3 1 1 A 2 2 ASN H H 2 8.147 8.758 -0.611 1
1 6 . 3 1 1 A 2 2 ASN HA H 2 4.619 5.225 -0.606 1
1 10 . 3 1 1 A 2 2 ASN N N 2 117.923 120.077 -2.154 1
1 12 . 3 1 1 A 3 3 ALA H H 3 8.340 9.040 -0.700 1
1 13 . 3 1 1 A 3 3 ALA HA H 3 4.234 5.038 -0.804 1
1 17 . 3 1 1 A 3 3 ALA N N 3 124.095 119.879 4.216 1
1 18 . 3 1 1 A 4 4 ASP H H 4 8.408 9.678 -1.270 1
1 22 . 3 1 1 A 4 4 ASP N N 4 120.996 114.882 6.114 1
1 23 . 3 1 1 A 5 5 CYS H H 5 8.035 8.814 -0.779 1
1 24 . 3 1 1 A 5 5 CYS HA H 5 4.947 4.722 0.225 1
1 26 . 3 1 1 A 5 5 CYS N N 5 118.050 125.072 -7.022 1
1 27 . 3 1 1 A 6 6 MET H H 6 9.169 7.473 1.696 1
1 31 . 3 1 1 A 6 6 MET N N 6 117.506 107.105 10.401 1
1 32 . 3 1 1 A 7 7 PHE H H 7 9.290 8.504 0.786 1
1 33 . 3 1 1 A 7 7 PHE HA H 7 4.961 4.345 0.616 1
1 41 . 3 1 1 A 7 7 PHE N N 7 119.609 120.186 -0.577 1
1 42 . 3 1 1 A 8 8 GLY H H 8 9.314 8.013 1.301 1
1 43 . 3 1 1 A 8 8 GLY HA2 H 8 3.817 3.914 -0.097 1
1 44 . 3 1 1 A 8 8 GLY HA3 H 8 4.038 3.942 0.096 1
1 45 . 3 1 1 A 8 8 GLY N N 8 115.285 107.587 7.698 1
1 46 . 3 1 1 A 9 9 ASN H H 9 8.563 7.880 0.683 1
1 47 . 3 1 1 A 9 9 ASN HA H 9 4.788 4.684 0.104 1
1 52 . 3 1 1 A 9 9 ASN N N 9 121.190 121.640 -0.450 1
1 54 . 3 1 1 A 10 10 GLY H H 10 8.650 8.914 -0.264 1
1 57 . 3 1 1 A 10 10 GLY N N 10 104.975 128.287 -23.312 1
1 58 . 3 1 1 A 11 11 LYS H H 11 8.616 7.376 1.240 1
1 63 . 3 1 1 A 11 11 LYS N N 11 124.787 108.689 16.098 1
1 64 . 3 1 1 A 12 12 GLY H H 12 8.674 9.144 -0.470 1
1 67 . 3 1 1 A 12 12 GLY N N 12 102.671 116.188 -13.517 1
1 68 . 3 1 1 A 13 13 TYR H H 13 7.632 7.811 -0.179 1
1 69 . 3 1 1 A 13 13 TYR HA H 13 4.456 4.474 -0.018 1
1 76 . 3 1 1 A 13 13 TYR N N 13 120.588 120.358 0.230 1
1 77 . 3 1 1 A 14 14 ARG H H 14 9.249 8.932 0.317 1
1 78 . 3 1 1 A 14 14 ARG HA H 14 4.109 4.568 -0.459 1
1 82 . 3 1 1 A 14 14 ARG N N 14 131.346 117.249 14.097 1
1 84 . 3 1 1 A 15 15 GLY H H 15 4.280 7.500 -3.220 1
1 87 . 3 1 1 A 15 15 GLY N N 15 104.876 111.413 -6.537 1
1 88 . 3 1 1 A 16 16 LYS H H 16 8.781 8.894 -0.113 1
1 89 . 3 1 1 A 16 16 LYS HA H 16 4.167 4.622 -0.455 1
1 95 . 3 1 1 A 16 16 LYS N N 16 116.399 115.101 1.298 1
1 96 . 3 1 1 A 17 17 ARG H H 17 7.493 9.231 -1.738 1
1 97 . 3 1 1 A 17 17 ARG HA H 17 4.360 3.870 0.490 1
1 104 . 3 1 1 A 17 17 ARG N N 17 121.452 118.224 3.228 1
1 106 . 3 1 1 A 18 18 VAL H H 18 8.298 7.684 0.614 1
1 107 . 3 1 1 A 18 18 VAL HA H 18 5.005 4.436 0.569 1
1 115 . 3 1 1 A 18 18 VAL N N 18 113.240 111.123 2.117 1
1 116 . 3 1 1 A 19 19 THR H H 19 7.209 8.164 -0.955 1
1 122 . 3 1 1 A 19 19 THR N N 19 111.368 111.621 -0.253 1
1 123 . 3 1 1 A 20 20 THR H H 20 8.518 7.659 0.859 1
1 124 . 3 1 1 A 20 20 THR HA H 20 4.605 4.347 0.258 1
1 129 . 3 1 1 A 20 20 THR N N 20 110.279 117.053 -6.774 1
1 131 . 3 1 1 A 21 21 VAL HA H 21 4.049 4.508 -0.459 1
1 139 . 3 1 1 A 21 21 VAL N N 21 116.629 142.032 -25.403 1
1 140 . 3 1 1 A 22 22 THR H H 22 7.376 8.340 -0.964 1
1 141 . 3 1 1 A 22 22 THR HA H 22 4.521 4.661 -0.140 1
1 145 . 3 1 1 A 22 22 THR N N 22 108.221 122.471 -14.250 1
1 146 . 3 1 1 A 23 23 GLY H H 23 8.345 9.066 -0.721 1
1 149 . 3 1 1 A 23 23 GLY N N 23 110.656 124.637 -13.981 1
1 150 . 3 1 1 A 24 24 THR H H 24 7.330 8.427 -1.097 1
1 151 . 3 1 1 A 24 24 THR HA H 24 4.419 4.975 -0.556 1
1 156 . 3 1 1 A 24 24 THR N N 24 119.053 123.209 -4.156 1
1 157 . 3 1 1 A 25 25 PRO HA H 25 4.601 4.647 -0.046 1
1 161 . 3 1 1 A 26 26 CYS H H 26 8.451 7.455 0.996 1
1 162 . 3 1 1 A 26 26 CYS HA H 26 4.715 4.272 0.443 1
1 165 . 3 1 1 A 26 26 CYS N N 26 123.739 120.854 2.885 1
1 166 . 3 1 1 A 27 27 GLN H H 27 9.557 8.171 1.386 1
1 167 . 3 1 1 A 27 27 GLN HA H 27 3.946 4.460 -0.514 1
1 174 . 3 1 1 A 27 27 GLN N N 27 126.620 120.215 6.405 1
1 176 . 3 1 1 A 28 28 ASP H H 28 8.849 8.794 0.055 1
1 177 . 3 1 1 A 28 28 ASP HA H 28 4.419 4.943 -0.524 1
1 180 . 3 1 1 A 28 28 ASP N N 28 126.815 119.781 7.034 1
1 181 . 3 1 1 A 29 29 TRP H H 29 7.982 7.845 0.137 1
1 182 . 3 1 1 A 29 29 TRP HA H 29 4.198 4.765 -0.567 1
1 191 . 3 1 1 A 29 29 TRP N N 29 123.876 118.172 5.704 1
1 194 . 3 1 1 A 30 30 ALA HA H 30 4.334 4.553 -0.219 1
1 198 . 3 1 1 A 30 30 ALA N N 30 114.831 138.759 -23.928 1
1 199 . 3 1 1 A 31 31 ALA H H 31 7.855 7.551 0.304 1
1 200 . 3 1 1 A 31 31 ALA HA H 31 4.604 4.979 -0.375 1
1 204 . 3 1 1 A 31 31 ALA N N 31 119.366 119.391 -0.025 1
1 205 . 3 1 1 A 32 32 GLN H H 32 6.836 8.601 -1.765 1
1 206 . 3 1 1 A 32 32 GLN HA H 32 4.254 4.350 -0.096 1
1 213 . 3 1 1 A 32 32 GLN N N 32 115.145 124.407 -9.262 1
1 215 . 3 1 1 A 33 33 GLU H H 33 8.729 8.615 0.114 1
1 216 . 3 1 1 A 33 33 GLU HA H 33 4.464 5.193 -0.729 1
1 221 . 3 1 1 A 33 33 GLU N N 33 118.546 119.159 -0.613 1
1 222 . 3 1 1 A 34 34 PRO HA H 34 4.507 4.457 0.050 1
1 226 . 3 1 1 A 35 35 HIS H H 35 9.736 7.384 2.352 1
1 227 . 3 1 1 A 35 35 HIS HA H 35 4.861 4.423 0.438 1
1 230 . 3 1 1 A 35 35 HIS N N 35 117.871 116.748 1.123 1
1 231 . 3 1 1 A 36 36 ARG H H 36 9.255 8.226 1.029 1
1 232 . 3 1 1 A 36 36 ARG HA H 36 4.368 4.925 -0.557 1
1 234 . 3 1 1 A 36 36 ARG N N 36 119.886 119.054 0.832 1
1 235 . 3 1 1 A 37 37 HIS H H 37 8.487 8.067 0.420 1
1 236 . 3 1 1 A 37 37 HIS HA H 37 4.969 5.094 -0.125 1
1 242 . 3 1 1 A 37 37 HIS N N 37 118.654 110.038 8.616 1
1 245 . 3 1 1 A 38 38 SER HA H 38 4.516 4.420 0.096 1
1 248 . 3 1 1 A 38 38 SER N N 38 126.261 136.129 -9.868 1
1 249 . 3 1 1 A 39 39 ILE H H 39 8.191 8.355 -0.164 1
1 250 . 3 1 1 A 39 39 ILE HA H 39 5.197 4.157 1.040 1
1 259 . 3 1 1 A 39 39 ILE N N 39 106.468 117.333 -10.865 1
1 260 . 3 1 1 A 40 40 PHE H H 40 8.158 7.540 0.618 1
1 261 . 3 1 1 A 40 40 PHE HA H 40 4.099 4.387 -0.288 1
1 269 . 3 1 1 A 40 40 PHE N N 40 116.320 111.050 5.270 1
1 270 . 3 1 1 A 41 41 THR H H 41 7.254 7.871 -0.617 1
1 271 . 3 1 1 A 41 41 THR HA H 41 4.503 5.227 -0.724 1
1 273 . 3 1 1 A 41 41 THR N N 41 113.915 119.814 -5.899 1
1 274 . 3 1 1 A 42 42 PRO HA H 42 4.166 4.463 -0.297 1
1 280 . 3 1 1 A 43 43 GLU H H 43 7.824 8.460 -0.636 1
1 281 . 3 1 1 A 43 43 GLU HA H 43 4.161 4.213 -0.052 1
1 284 . 3 1 1 A 43 43 GLU N N 43 112.032 117.026 -4.994 1
1 285 . 3 1 1 A 44 44 THR H H 44 7.859 7.278 0.581 1
1 286 . 3 1 1 A 44 44 THR HA H 44 4.213 4.370 -0.157 1
1 287 . 3 1 1 A 44 44 THR N N 44 109.971 120.456 -10.485 1
1 288 . 3 1 1 A 45 45 ASN H H 45 7.828 7.920 -0.092 1
1 294 . 3 1 1 A 45 45 ASN N N 45 118.292 107.992 10.300 1
1 299 . 3 1 1 A 47 47 ARG H H 47 8.778 8.203 0.575 1
1 300 . 3 1 1 A 47 47 ARG HA H 47 4.594 4.705 -0.111 1
1 307 . 3 1 1 A 47 47 ARG N N 47 117.742 125.142 -7.400 1
1 309 . 3 1 1 A 48 48 ALA H H 48 7.139 8.968 -1.829 1
1 310 . 3 1 1 A 48 48 ALA HA H 48 4.439 3.901 0.538 1
1 314 . 3 1 1 A 48 48 ALA N N 48 119.525 122.986 -3.461 1
1 315 . 3 1 1 A 49 49 GLY H H 49 8.256 8.144 0.112 1
1 318 . 3 1 1 A 49 49 GLY N N 49 108.423 121.553 -13.130 1
1 319 . 3 1 1 A 50 50 LEU H H 50 9.144 7.920 1.224 1
1 320 . 3 1 1 A 50 50 LEU HA H 50 3.268 4.819 -1.551 1
1 330 . 3 1 1 A 50 50 LEU N N 50 121.605 121.032 0.573 1
1 331 . 3 1 1 A 51 51 GLU H H 51 7.651 9.485 -1.834 1
1 332 . 3 1 1 A 51 51 GLU HA H 51 4.504 4.932 -0.428 1
1 335 . 3 1 1 A 51 51 GLU N N 51 124.470 122.812 1.658 1
1 336 . 3 1 1 A 52 52 LYS H H 52 8.878 8.976 -0.098 1
1 337 . 3 1 1 A 52 52 LYS HA H 52 3.618 5.017 -1.399 1
1 341 . 3 1 1 A 52 52 LYS N N 52 118.010 122.681 -4.671 1
1 342 . 3 1 1 A 53 53 ASN H H 53 7.874 8.310 -0.436 1
1 343 . 3 1 1 A 53 53 ASN HA H 53 4.574 5.275 -0.701 1
1 348 . 3 1 1 A 53 53 ASN N N 53 122.833 120.622 2.211 1
1 351 . 3 1 1 A 54 54 TYR HA H 54 4.992 4.479 0.513 1
1 358 . 3 1 1 A 54 54 TYR N N 54 112.865 139.037 -26.172 1
1 359 . 3 1 1 A 55 55 CYS H H 55 8.917 8.180 0.737 1
1 360 . 3 1 1 A 55 55 CYS HA H 55 4.488 4.798 -0.310 1
1 363 . 3 1 1 A 55 55 CYS N N 55 118.745 115.824 2.921 1
1 364 . 3 1 1 A 56 56 ARG H H 56 9.470 7.906 1.564 1
1 372 . 3 1 1 A 56 56 ARG N N 56 123.525 108.580 14.945 1
1 374 . 3 1 1 A 57 57 ASN H H 57 8.417 8.461 -0.044 1
1 375 . 3 1 1 A 57 57 ASN HA H 57 5.540 4.623 0.917 1
1 380 . 3 1 1 A 57 57 ASN N N 57 113.293 120.547 -7.254 1
1 382 . 3 1 1 A 58 58 PRO HA H 58 4.454 4.157 0.297 1
1 389 . 3 1 1 A 59 59 ASP H H 59 9.547 7.800 1.747 1
1 393 . 3 1 1 A 59 59 ASP N N 59 114.552 110.373 4.179 1
1 394 . 3 1 1 A 60 60 GLY H H 60 7.436 7.498 -0.062 1
1 395 . 3 1 1 A 60 60 GLY HA2 H 60 3.311 4.173 -0.862 1
1 396 . 3 1 1 A 60 60 GLY HA3 H 60 3.799 4.176 -0.377 1
1 397 . 3 1 1 A 60 60 GLY N N 60 109.636 106.699 2.937 1
1 399 . 3 1 1 A 61 61 ASP HA H 61 4.369 4.952 -0.583 1
1 401 . 3 1 1 A 61 61 ASP N N 61 123.255 133.155 -9.900 1
1 402 . 3 1 1 A 62 62 VAL H H 62 8.871 9.027 -0.156 1
1 403 . 3 1 1 A 62 62 VAL HA H 62 3.997 5.364 -1.367 1
1 411 . 3 1 1 A 62 62 VAL N N 62 127.998 118.199 9.799 1
1 412 . 3 1 1 A 63 63 GLY H H 63 9.855 8.976 0.879 1
1 415 . 3 1 1 A 63 63 GLY N N 63 109.474 116.666 -7.192 1
1 416 . 3 1 1 A 64 64 GLY H H 64 7.718 8.113 -0.395 1
1 419 . 3 1 1 A 64 64 GLY N N 64 107.373 119.112 -11.739 1
1 420 . 3 1 1 A 65 65 PRO HA H 65 4.004 4.988 -0.984 1
1 423 . 3 1 1 A 66 66 TRP H H 66 8.894 8.480 0.414 1
1 424 . 3 1 1 A 66 66 TRP HA H 66 5.340 4.360 0.980 1
1 433 . 3 1 1 A 66 66 TRP N N 66 122.955 114.280 8.675 1
1 435 . 3 1 1 A 67 67 CYS H H 67 8.673 7.679 0.994 1
1 436 . 3 1 1 A 67 67 CYS HA H 67 4.427 5.058 -0.631 1
1 439 . 3 1 1 A 67 67 CYS N N 67 109.130 122.737 -13.607 1
1 441 . 3 1 1 A 68 68 TYR HA H 68 5.167 4.538 0.629 1
1 448 . 3 1 1 A 68 68 TYR N N 68 121.963 141.189 -19.226 1
1 449 . 3 1 1 A 69 69 THR H H 69 7.813 8.591 -0.778 1
1 450 . 3 1 1 A 69 69 THR HA H 69 5.255 4.242 1.013 1
1 456 . 3 1 1 A 69 69 THR N N 69 111.504 117.760 -6.256 1
1 457 . 3 1 1 A 70 70 THR H H 70 7.778 7.456 0.322 1
1 458 . 3 1 1 A 70 70 THR HA H 70 3.977 4.835 -0.858 1
1 463 . 3 1 1 A 70 70 THR N N 70 105.004 114.755 -9.751 1
1 464 . 3 1 1 A 71 71 ASN H H 71 8.714 8.677 0.037 1
1 465 . 3 1 1 A 71 71 ASN HA H 71 5.035 4.518 0.517 1
1 470 . 3 1 1 A 71 71 ASN N N 71 122.506 120.494 2.012 1
1 472 . 3 1 1 A 72 72 PRO HA H 72 3.766 5.208 -1.442 1
1 476 . 3 1 1 A 73 73 ARG H H 73 8.036 8.611 -0.575 1
1 477 . 3 1 1 A 73 73 ARG HA H 73 4.384 4.932 -0.548 1
1 482 . 3 1 1 A 73 73 ARG N N 73 113.053 119.678 -6.625 1
1 484 . 3 1 1 A 74 74 LYS H H 74 7.664 8.852 -1.188 1
1 485 . 3 1 1 A 74 74 LYS HA H 74 4.597 5.023 -0.426 1
1 489 . 3 1 1 A 74 74 LYS N N 74 121.711 118.968 2.743 1
1 490 . 3 1 1 A 75 75 LEU H H 75 8.805 9.124 -0.319 1
1 491 . 3 1 1 A 75 75 LEU HA H 75 2.354 5.208 -2.854 1
1 492 . 3 1 1 A 75 75 LEU N N 75 130.480 120.454 10.026 1
1 493 . 3 1 1 A 76 76 TYR H H 76 7.149 8.898 -1.749 1
1 494 . 3 1 1 A 76 76 TYR HA H 76 5.410 4.955 0.455 1
1 499 . 3 1 1 A 76 76 TYR N N 76 107.886 123.245 -15.359 1
1 500 . 3 1 1 A 77 77 ASP H H 77 8.557 8.396 0.161 1
1 501 . 3 1 1 A 77 77 ASP HA H 77 4.095 4.601 -0.506 1
1 504 . 3 1 1 A 77 77 ASP N N 77 116.171 124.042 -7.871 1
1 506 . 3 1 1 A 78 78 TYR HA H 78 4.577 4.526 0.051 1
1 513 . 3 1 1 A 78 78 TYR N N 78 118.199 141.024 -22.825 1
1 514 . 3 1 1 A 79 79 CYS H H 79 8.718 8.461 0.257 1
1 515 . 3 1 1 A 79 79 CYS HA H 79 4.758 4.304 0.454 1
1 518 . 3 1 1 A 79 79 CYS N N 79 116.747 120.726 -3.979 1
1 519 . 3 1 1 A 80 80 ASP H H 80 9.093 9.612 -0.519 1
1 520 . 3 1 1 A 80 80 ASP HA H 80 4.568 4.183 0.385 1
1 523 . 3 1 1 A 80 80 ASP N N 80 122.193 125.758 -3.565 1
1 524 . 3 1 1 A 81 81 VAL H H 81 7.782 7.262 0.520 1
1 525 . 3 1 1 A 81 81 VAL HA H 81 4.102 4.391 -0.289 1
1 533 . 3 1 1 A 81 81 VAL N N 81 123.869 121.751 2.118 1
1 5 . 4 1 1 A 2 2 ASN H H 2 8.147 8.682 -0.535 1
1 6 . 4 1 1 A 2 2 ASN HA H 2 4.619 5.242 -0.623 1
1 10 . 4 1 1 A 2 2 ASN N N 2 117.923 120.467 -2.544 1
1 12 . 4 1 1 A 3 3 ALA H H 3 8.340 9.083 -0.743 1
1 13 . 4 1 1 A 3 3 ALA HA H 3 4.234 5.117 -0.883 1
1 17 . 4 1 1 A 3 3 ALA N N 3 124.095 120.454 3.641 1
1 18 . 4 1 1 A 4 4 ASP H H 4 8.408 9.664 -1.256 1
1 22 . 4 1 1 A 4 4 ASP N N 4 120.996 114.807 6.189 1
1 23 . 4 1 1 A 5 5 CYS H H 5 8.035 8.839 -0.804 1
1 24 . 4 1 1 A 5 5 CYS HA H 5 4.947 4.750 0.197 1
1 26 . 4 1 1 A 5 5 CYS N N 5 118.050 125.064 -7.014 1
1 27 . 4 1 1 A 6 6 MET H H 6 9.169 7.618 1.551 1
1 31 . 4 1 1 A 6 6 MET N N 6 117.506 107.117 10.389 1
1 32 . 4 1 1 A 7 7 PHE H H 7 9.290 8.537 0.753 1
1 33 . 4 1 1 A 7 7 PHE HA H 7 4.961 4.244 0.717 1
1 41 . 4 1 1 A 7 7 PHE N N 7 119.609 120.382 -0.773 1
1 42 . 4 1 1 A 8 8 GLY H H 8 9.314 8.026 1.288 1
1 43 . 4 1 1 A 8 8 GLY HA2 H 8 3.817 3.890 -0.073 1
1 44 . 4 1 1 A 8 8 GLY HA3 H 8 4.038 3.946 0.092 1
1 45 . 4 1 1 A 8 8 GLY N N 8 115.285 107.747 7.538 1
1 46 . 4 1 1 A 9 9 ASN H H 9 8.563 7.873 0.690 1
1 47 . 4 1 1 A 9 9 ASN HA H 9 4.788 4.759 0.029 1
1 52 . 4 1 1 A 9 9 ASN N N 9 121.190 122.100 -0.910 1
1 54 . 4 1 1 A 10 10 GLY H H 10 8.650 9.156 -0.506 1
1 57 . 4 1 1 A 10 10 GLY N N 10 104.975 128.954 -23.979 1
1 58 . 4 1 1 A 11 11 LYS H H 11 8.616 7.423 1.193 1
1 63 . 4 1 1 A 11 11 LYS N N 11 124.787 108.872 15.915 1
1 64 . 4 1 1 A 12 12 GLY H H 12 8.674 9.337 -0.663 1
1 67 . 4 1 1 A 12 12 GLY N N 12 102.671 116.077 -13.406 1
1 68 . 4 1 1 A 13 13 TYR H H 13 7.632 7.808 -0.176 1
1 69 . 4 1 1 A 13 13 TYR HA H 13 4.456 4.463 -0.007 1
1 76 . 4 1 1 A 13 13 TYR N N 13 120.588 120.653 -0.065 1
1 77 . 4 1 1 A 14 14 ARG H H 14 9.249 8.911 0.338 1
1 78 . 4 1 1 A 14 14 ARG HA H 14 4.109 4.539 -0.430 1
1 82 . 4 1 1 A 14 14 ARG N N 14 131.346 117.224 14.122 1
1 84 . 4 1 1 A 15 15 GLY H H 15 4.280 7.646 -3.366 1
1 87 . 4 1 1 A 15 15 GLY N N 15 104.876 115.949 -11.073 1
1 88 . 4 1 1 A 16 16 LYS H H 16 8.781 8.933 -0.152 1
1 89 . 4 1 1 A 16 16 LYS HA H 16 4.167 4.621 -0.454 1
1 95 . 4 1 1 A 16 16 LYS N N 16 116.399 116.611 -0.212 1
1 96 . 4 1 1 A 17 17 ARG H H 17 7.493 9.271 -1.778 1
1 97 . 4 1 1 A 17 17 ARG HA H 17 4.360 3.876 0.484 1
1 104 . 4 1 1 A 17 17 ARG N N 17 121.452 118.111 3.341 1
1 106 . 4 1 1 A 18 18 VAL H H 18 8.298 7.660 0.638 1
1 107 . 4 1 1 A 18 18 VAL HA H 18 5.005 4.453 0.552 1
1 115 . 4 1 1 A 18 18 VAL N N 18 113.240 111.123 2.117 1
1 116 . 4 1 1 A 19 19 THR H H 19 7.209 8.084 -0.875 1
1 122 . 4 1 1 A 19 19 THR N N 19 111.368 112.006 -0.638 1
1 123 . 4 1 1 A 20 20 THR H H 20 8.518 7.784 0.734 1
1 124 . 4 1 1 A 20 20 THR HA H 20 4.605 4.349 0.256 1
1 129 . 4 1 1 A 20 20 THR N N 20 110.279 116.979 -6.700 1
1 131 . 4 1 1 A 21 21 VAL HA H 21 4.049 4.928 -0.879 1
1 139 . 4 1 1 A 21 21 VAL N N 21 116.629 142.041 -25.412 1
1 140 . 4 1 1 A 22 22 THR H H 22 7.376 8.374 -0.998 1
1 141 . 4 1 1 A 22 22 THR HA H 22 4.521 4.740 -0.219 1
1 145 . 4 1 1 A 22 22 THR N N 22 108.221 121.964 -13.743 1
1 146 . 4 1 1 A 23 23 GLY H H 23 8.345 8.999 -0.654 1
1 149 . 4 1 1 A 23 23 GLY N N 23 110.656 124.349 -13.693 1
1 150 . 4 1 1 A 24 24 THR H H 24 7.330 8.717 -1.387 1
1 151 . 4 1 1 A 24 24 THR HA H 24 4.419 5.046 -0.627 1
1 156 . 4 1 1 A 24 24 THR N N 24 119.053 123.184 -4.131 1
1 157 . 4 1 1 A 25 25 PRO HA H 25 4.601 4.672 -0.071 1
1 161 . 4 1 1 A 26 26 CYS H H 26 8.451 7.732 0.719 1
1 162 . 4 1 1 A 26 26 CYS HA H 26 4.715 4.295 0.420 1
1 165 . 4 1 1 A 26 26 CYS N N 26 123.739 121.039 2.700 1
1 166 . 4 1 1 A 27 27 GLN H H 27 9.557 8.508 1.049 1
1 167 . 4 1 1 A 27 27 GLN HA H 27 3.946 4.558 -0.612 1
1 174 . 4 1 1 A 27 27 GLN N N 27 126.620 120.423 6.197 1
1 176 . 4 1 1 A 28 28 ASP H H 28 8.849 8.699 0.150 1
1 177 . 4 1 1 A 28 28 ASP HA H 28 4.419 4.862 -0.443 1
1 180 . 4 1 1 A 28 28 ASP N N 28 126.815 119.385 7.430 1
1 181 . 4 1 1 A 29 29 TRP H H 29 7.982 7.795 0.187 1
1 182 . 4 1 1 A 29 29 TRP HA H 29 4.198 4.724 -0.526 1
1 191 . 4 1 1 A 29 29 TRP N N 29 123.876 118.139 5.737 1
1 194 . 4 1 1 A 30 30 ALA HA H 30 4.334 4.560 -0.226 1
1 198 . 4 1 1 A 30 30 ALA N N 30 114.831 138.209 -23.378 1
1 199 . 4 1 1 A 31 31 ALA H H 31 7.855 7.625 0.230 1
1 200 . 4 1 1 A 31 31 ALA HA H 31 4.604 4.998 -0.394 1
1 204 . 4 1 1 A 31 31 ALA N N 31 119.366 118.828 0.538 1
1 205 . 4 1 1 A 32 32 GLN H H 32 6.836 8.524 -1.688 1
1 206 . 4 1 1 A 32 32 GLN HA H 32 4.254 4.301 -0.047 1
1 213 . 4 1 1 A 32 32 GLN N N 32 115.145 123.307 -8.162 1
1 215 . 4 1 1 A 33 33 GLU H H 33 8.729 8.780 -0.051 1
1 216 . 4 1 1 A 33 33 GLU HA H 33 4.464 5.208 -0.744 1
1 221 . 4 1 1 A 33 33 GLU N N 33 118.546 119.616 -1.070 1
1 222 . 4 1 1 A 34 34 PRO HA H 34 4.507 4.360 0.147 1
1 226 . 4 1 1 A 35 35 HIS H H 35 9.736 7.558 2.178 1
1 227 . 4 1 1 A 35 35 HIS HA H 35 4.861 4.519 0.342 1
1 230 . 4 1 1 A 35 35 HIS N N 35 117.871 116.778 1.093 1
1 231 . 4 1 1 A 36 36 ARG H H 36 9.255 8.330 0.925 1
1 232 . 4 1 1 A 36 36 ARG HA H 36 4.368 4.863 -0.495 1
1 234 . 4 1 1 A 36 36 ARG N N 36 119.886 119.107 0.779 1
1 235 . 4 1 1 A 37 37 HIS H H 37 8.487 8.063 0.424 1
1 236 . 4 1 1 A 37 37 HIS HA H 37 4.969 5.085 -0.116 1
1 242 . 4 1 1 A 37 37 HIS N N 37 118.654 110.045 8.609 1
1 245 . 4 1 1 A 38 38 SER HA H 38 4.516 4.444 0.072 1
1 248 . 4 1 1 A 38 38 SER N N 38 126.261 135.825 -9.564 1
1 249 . 4 1 1 A 39 39 ILE H H 39 8.191 8.415 -0.224 1
1 250 . 4 1 1 A 39 39 ILE HA H 39 5.197 4.154 1.043 1
1 259 . 4 1 1 A 39 39 ILE N N 39 106.468 117.225 -10.757 1
1 260 . 4 1 1 A 40 40 PHE H H 40 8.158 7.596 0.562 1
1 261 . 4 1 1 A 40 40 PHE HA H 40 4.099 4.393 -0.294 1
1 269 . 4 1 1 A 40 40 PHE N N 40 116.320 110.811 5.509 1
1 270 . 4 1 1 A 41 41 THR H H 41 7.254 8.106 -0.852 1
1 271 . 4 1 1 A 41 41 THR HA H 41 4.503 5.227 -0.724 1
1 273 . 4 1 1 A 41 41 THR N N 41 113.915 119.748 -5.833 1
1 274 . 4 1 1 A 42 42 PRO HA H 42 4.166 4.453 -0.287 1
1 280 . 4 1 1 A 43 43 GLU H H 43 7.824 8.315 -0.491 1
1 281 . 4 1 1 A 43 43 GLU HA H 43 4.161 4.514 -0.353 1
1 284 . 4 1 1 A 43 43 GLU N N 43 112.032 117.234 -5.202 1
1 285 . 4 1 1 A 44 44 THR H H 44 7.859 7.360 0.499 1
1 286 . 4 1 1 A 44 44 THR HA H 44 4.213 4.384 -0.171 1
1 287 . 4 1 1 A 44 44 THR N N 44 109.971 120.440 -10.469 1
1 288 . 4 1 1 A 45 45 ASN H H 45 7.828 7.863 -0.035 1
1 294 . 4 1 1 A 45 45 ASN N N 45 118.292 107.807 10.485 1
1 299 . 4 1 1 A 47 47 ARG H H 47 8.778 8.089 0.689 1
1 300 . 4 1 1 A 47 47 ARG HA H 47 4.594 4.774 -0.180 1
1 307 . 4 1 1 A 47 47 ARG N N 47 117.742 123.444 -5.702 1
1 309 . 4 1 1 A 48 48 ALA H H 48 7.139 8.972 -1.833 1
1 310 . 4 1 1 A 48 48 ALA HA H 48 4.439 3.963 0.476 1
1 314 . 4 1 1 A 48 48 ALA N N 48 119.525 119.648 -0.123 1
1 315 . 4 1 1 A 49 49 GLY H H 49 8.256 8.162 0.094 1
1 318 . 4 1 1 A 49 49 GLY N N 49 108.423 121.884 -13.461 1
1 319 . 4 1 1 A 50 50 LEU H H 50 9.144 7.342 1.802 1
1 320 . 4 1 1 A 50 50 LEU HA H 50 3.268 4.698 -1.430 1
1 330 . 4 1 1 A 50 50 LEU N N 50 121.605 121.486 0.119 1
1 331 . 4 1 1 A 51 51 GLU H H 51 7.651 9.484 -1.833 1
1 332 . 4 1 1 A 51 51 GLU HA H 51 4.504 4.838 -0.334 1
1 335 . 4 1 1 A 51 51 GLU N N 51 124.470 122.719 1.751 1
1 336 . 4 1 1 A 52 52 LYS H H 52 8.878 8.893 -0.015 1
1 337 . 4 1 1 A 52 52 LYS HA H 52 3.618 5.185 -1.567 1
1 341 . 4 1 1 A 52 52 LYS N N 52 118.010 123.066 -5.056 1
1 342 . 4 1 1 A 53 53 ASN H H 53 7.874 8.808 -0.934 1
1 343 . 4 1 1 A 53 53 ASN HA H 53 4.574 5.283 -0.709 1
1 348 . 4 1 1 A 53 53 ASN N N 53 122.833 120.294 2.539 1
1 351 . 4 1 1 A 54 54 TYR HA H 54 4.992 4.519 0.473 1
1 358 . 4 1 1 A 54 54 TYR N N 54 112.865 139.019 -26.154 1
1 359 . 4 1 1 A 55 55 CYS H H 55 8.917 8.231 0.686 1
1 360 . 4 1 1 A 55 55 CYS HA H 55 4.488 4.935 -0.447 1
1 363 . 4 1 1 A 55 55 CYS N N 55 118.745 117.272 1.473 1
1 364 . 4 1 1 A 56 56 ARG H H 56 9.470 8.031 1.439 1
1 372 . 4 1 1 A 56 56 ARG N N 56 123.525 108.485 15.040 1
1 374 . 4 1 1 A 57 57 ASN H H 57 8.417 8.231 0.186 1
1 375 . 4 1 1 A 57 57 ASN HA H 57 5.540 4.603 0.937 1
1 380 . 4 1 1 A 57 57 ASN N N 57 113.293 120.972 -7.679 1
1 382 . 4 1 1 A 58 58 PRO HA H 58 4.454 4.438 0.016 1
1 389 . 4 1 1 A 59 59 ASP H H 59 9.547 8.216 1.331 1
1 393 . 4 1 1 A 59 59 ASP N N 59 114.552 109.872 4.680 1
1 394 . 4 1 1 A 60 60 GLY H H 60 7.436 7.556 -0.120 1
1 395 . 4 1 1 A 60 60 GLY HA2 H 60 3.311 4.168 -0.857 1
1 396 . 4 1 1 A 60 60 GLY HA3 H 60 3.799 4.174 -0.375 1
1 397 . 4 1 1 A 60 60 GLY N N 60 109.636 106.292 3.344 1
1 399 . 4 1 1 A 61 61 ASP HA H 61 4.369 4.983 -0.614 1
1 401 . 4 1 1 A 61 61 ASP N N 61 123.255 133.118 -9.863 1
1 402 . 4 1 1 A 62 62 VAL H H 62 8.871 9.161 -0.290 1
1 403 . 4 1 1 A 62 62 VAL HA H 62 3.997 5.260 -1.263 1
1 411 . 4 1 1 A 62 62 VAL N N 62 127.998 118.291 9.707 1
1 412 . 4 1 1 A 63 63 GLY H H 63 9.855 8.938 0.917 1
1 415 . 4 1 1 A 63 63 GLY N N 63 109.474 116.827 -7.353 1
1 416 . 4 1 1 A 64 64 GLY H H 64 7.718 8.036 -0.318 1
1 419 . 4 1 1 A 64 64 GLY N N 64 107.373 119.042 -11.669 1
1 420 . 4 1 1 A 65 65 PRO HA H 65 4.004 4.901 -0.897 1
1 423 . 4 1 1 A 66 66 TRP H H 66 8.894 8.821 0.073 1
1 424 . 4 1 1 A 66 66 TRP HA H 66 5.340 4.485 0.855 1
1 433 . 4 1 1 A 66 66 TRP N N 66 122.955 113.387 9.568 1
1 435 . 4 1 1 A 67 67 CYS H H 67 8.673 7.624 1.049 1
1 436 . 4 1 1 A 67 67 CYS HA H 67 4.427 5.135 -0.708 1
1 439 . 4 1 1 A 67 67 CYS N N 67 109.130 122.225 -13.095 1
1 441 . 4 1 1 A 68 68 TYR HA H 68 5.167 4.496 0.671 1
1 448 . 4 1 1 A 68 68 TYR N N 68 121.963 141.100 -19.137 1
1 449 . 4 1 1 A 69 69 THR H H 69 7.813 8.584 -0.771 1
1 450 . 4 1 1 A 69 69 THR HA H 69 5.255 4.247 1.008 1
1 456 . 4 1 1 A 69 69 THR N N 69 111.504 117.578 -6.074 1
1 457 . 4 1 1 A 70 70 THR H H 70 7.778 7.031 0.747 1
1 458 . 4 1 1 A 70 70 THR HA H 70 3.977 4.804 -0.827 1
1 463 . 4 1 1 A 70 70 THR N N 70 105.004 115.142 -10.138 1
1 464 . 4 1 1 A 71 71 ASN H H 71 8.714 8.623 0.091 1
1 465 . 4 1 1 A 71 71 ASN HA H 71 5.035 4.246 0.789 1
1 470 . 4 1 1 A 71 71 ASN N N 71 122.506 121.173 1.333 1
1 472 . 4 1 1 A 72 72 PRO HA H 72 3.766 5.132 -1.366 1
1 476 . 4 1 1 A 73 73 ARG H H 73 8.036 8.591 -0.555 1
1 477 . 4 1 1 A 73 73 ARG HA H 73 4.384 4.931 -0.547 1
1 482 . 4 1 1 A 73 73 ARG N N 73 113.053 119.741 -6.688 1
1 484 . 4 1 1 A 74 74 LYS H H 74 7.664 8.876 -1.212 1
1 485 . 4 1 1 A 74 74 LYS HA H 74 4.597 5.033 -0.436 1
1 489 . 4 1 1 A 74 74 LYS N N 74 121.711 119.121 2.590 1
1 490 . 4 1 1 A 75 75 LEU H H 75 8.805 9.297 -0.492 1
1 491 . 4 1 1 A 75 75 LEU HA H 75 2.354 5.205 -2.851 1
1 492 . 4 1 1 A 75 75 LEU N N 75 130.480 120.440 10.040 1
1 493 . 4 1 1 A 76 76 TYR H H 76 7.149 8.883 -1.734 1
1 494 . 4 1 1 A 76 76 TYR HA H 76 5.410 4.999 0.411 1
1 499 . 4 1 1 A 76 76 TYR N N 76 107.886 123.523 -15.637 1
1 500 . 4 1 1 A 77 77 ASP H H 77 8.557 8.346 0.211 1
1 501 . 4 1 1 A 77 77 ASP HA H 77 4.095 4.637 -0.542 1
1 504 . 4 1 1 A 77 77 ASP N N 77 116.171 124.022 -7.851 1
1 506 . 4 1 1 A 78 78 TYR HA H 78 4.577 4.539 0.038 1
1 513 . 4 1 1 A 78 78 TYR N N 78 118.199 141.032 -22.833 1
1 514 . 4 1 1 A 79 79 CYS H H 79 8.718 8.468 0.250 1
1 515 . 4 1 1 A 79 79 CYS HA H 79 4.758 4.435 0.323 1
1 518 . 4 1 1 A 79 79 CYS N N 79 116.747 120.725 -3.978 1
1 519 . 4 1 1 A 80 80 ASP H H 80 9.093 9.636 -0.543 1
1 520 . 4 1 1 A 80 80 ASP HA H 80 4.568 4.176 0.392 1
1 523 . 4 1 1 A 80 80 ASP N N 80 122.193 125.771 -3.578 1
1 524 . 4 1 1 A 81 81 VAL H H 81 7.782 7.219 0.563 1
1 525 . 4 1 1 A 81 81 VAL HA H 81 4.102 4.450 -0.348 1
1 533 . 4 1 1 A 81 81 VAL N N 81 123.869 121.711 2.158 1
1 5 . 5 1 1 A 2 2 ASN H H 2 8.147 8.650 -0.503 1
1 6 . 5 1 1 A 2 2 ASN HA H 2 4.619 5.293 -0.674 1
1 10 . 5 1 1 A 2 2 ASN N N 2 117.923 119.357 -1.434 1
1 12 . 5 1 1 A 3 3 ALA H H 3 8.340 9.054 -0.714 1
1 13 . 5 1 1 A 3 3 ALA HA H 3 4.234 5.140 -0.906 1
1 17 . 5 1 1 A 3 3 ALA N N 3 124.095 120.531 3.564 1
1 18 . 5 1 1 A 4 4 ASP H H 4 8.408 9.527 -1.119 1
1 22 . 5 1 1 A 4 4 ASP N N 4 120.996 114.809 6.187 1
1 23 . 5 1 1 A 5 5 CYS H H 5 8.035 8.861 -0.826 1
1 24 . 5 1 1 A 5 5 CYS HA H 5 4.947 4.773 0.174 1
1 26 . 5 1 1 A 5 5 CYS N N 5 118.050 125.031 -6.981 1
1 27 . 5 1 1 A 6 6 MET H H 6 9.169 7.995 1.174 1
1 31 . 5 1 1 A 6 6 MET N N 6 117.506 107.324 10.182 1
1 32 . 5 1 1 A 7 7 PHE H H 7 9.290 8.511 0.779 1
1 33 . 5 1 1 A 7 7 PHE HA H 7 4.961 4.241 0.720 1
1 41 . 5 1 1 A 7 7 PHE N N 7 119.609 120.414 -0.805 1
1 42 . 5 1 1 A 8 8 GLY H H 8 9.314 8.065 1.249 1
1 43 . 5 1 1 A 8 8 GLY HA2 H 8 3.817 3.977 -0.160 1
1 44 . 5 1 1 A 8 8 GLY HA3 H 8 4.038 3.978 0.060 1
1 45 . 5 1 1 A 8 8 GLY N N 8 115.285 107.831 7.454 1
1 46 . 5 1 1 A 9 9 ASN H H 9 8.563 7.866 0.697 1
1 47 . 5 1 1 A 9 9 ASN HA H 9 4.788 4.669 0.119 1
1 52 . 5 1 1 A 9 9 ASN N N 9 121.190 121.617 -0.427 1
1 54 . 5 1 1 A 10 10 GLY H H 10 8.650 8.883 -0.233 1
1 57 . 5 1 1 A 10 10 GLY N N 10 104.975 128.541 -23.566 1
1 58 . 5 1 1 A 11 11 LYS H H 11 8.616 7.483 1.133 1
1 63 . 5 1 1 A 11 11 LYS N N 11 124.787 108.335 16.452 1
1 64 . 5 1 1 A 12 12 GLY H H 12 8.674 8.696 -0.022 1
1 67 . 5 1 1 A 12 12 GLY N N 12 102.671 116.082 -13.411 1
1 68 . 5 1 1 A 13 13 TYR H H 13 7.632 7.781 -0.149 1
1 69 . 5 1 1 A 13 13 TYR HA H 13 4.456 4.468 -0.012 1
1 76 . 5 1 1 A 13 13 TYR N N 13 120.588 120.617 -0.029 1
1 77 . 5 1 1 A 14 14 ARG H H 14 9.249 8.904 0.345 1
1 78 . 5 1 1 A 14 14 ARG HA H 14 4.109 4.553 -0.444 1
1 82 . 5 1 1 A 14 14 ARG N N 14 131.346 117.207 14.139 1
1 84 . 5 1 1 A 15 15 GLY H H 15 4.280 7.551 -3.271 1
1 87 . 5 1 1 A 15 15 GLY N N 15 104.876 115.690 -10.814 1
1 88 . 5 1 1 A 16 16 LYS H H 16 8.781 9.002 -0.221 1
1 89 . 5 1 1 A 16 16 LYS HA H 16 4.167 4.624 -0.457 1
1 95 . 5 1 1 A 16 16 LYS N N 16 116.399 116.340 0.059 1
1 96 . 5 1 1 A 17 17 ARG H H 17 7.493 9.268 -1.775 1
1 97 . 5 1 1 A 17 17 ARG HA H 17 4.360 3.874 0.486 1
1 104 . 5 1 1 A 17 17 ARG N N 17 121.452 118.196 3.256 1
1 106 . 5 1 1 A 18 18 VAL H H 18 8.298 7.653 0.645 1
1 107 . 5 1 1 A 18 18 VAL HA H 18 5.005 4.417 0.588 1
1 115 . 5 1 1 A 18 18 VAL N N 18 113.240 111.151 2.089 1
1 116 . 5 1 1 A 19 19 THR H H 19 7.209 8.149 -0.940 1
1 122 . 5 1 1 A 19 19 THR N N 19 111.368 111.769 -0.401 1
1 123 . 5 1 1 A 20 20 THR H H 20 8.518 7.683 0.835 1
1 124 . 5 1 1 A 20 20 THR HA H 20 4.605 4.347 0.258 1
1 129 . 5 1 1 A 20 20 THR N N 20 110.279 117.037 -6.758 1
1 131 . 5 1 1 A 21 21 VAL HA H 21 4.049 4.467 -0.418 1
1 139 . 5 1 1 A 21 21 VAL N N 21 116.629 141.971 -25.342 1
1 140 . 5 1 1 A 22 22 THR H H 22 7.376 8.492 -1.116 1
1 141 . 5 1 1 A 22 22 THR HA H 22 4.521 4.612 -0.091 1
1 145 . 5 1 1 A 22 22 THR N N 22 108.221 122.194 -13.973 1
1 146 . 5 1 1 A 23 23 GLY H H 23 8.345 9.085 -0.740 1
1 149 . 5 1 1 A 23 23 GLY N N 23 110.656 124.621 -13.965 1
1 150 . 5 1 1 A 24 24 THR H H 24 7.330 8.702 -1.372 1
1 151 . 5 1 1 A 24 24 THR HA H 24 4.419 5.089 -0.670 1
1 156 . 5 1 1 A 24 24 THR N N 24 119.053 122.912 -3.859 1
1 157 . 5 1 1 A 25 25 PRO HA H 25 4.601 4.717 -0.116 1
1 161 . 5 1 1 A 26 26 CYS H H 26 8.451 7.722 0.729 1
1 162 . 5 1 1 A 26 26 CYS HA H 26 4.715 4.299 0.416 1
1 165 . 5 1 1 A 26 26 CYS N N 26 123.739 121.095 2.644 1
1 166 . 5 1 1 A 27 27 GLN H H 27 9.557 8.267 1.290 1
1 167 . 5 1 1 A 27 27 GLN HA H 27 3.946 4.488 -0.542 1
1 174 . 5 1 1 A 27 27 GLN N N 27 126.620 119.944 6.676 1
1 176 . 5 1 1 A 28 28 ASP H H 28 8.849 8.752 0.097 1
1 177 . 5 1 1 A 28 28 ASP HA H 28 4.419 4.969 -0.550 1
1 180 . 5 1 1 A 28 28 ASP N N 28 126.815 119.797 7.018 1
1 181 . 5 1 1 A 29 29 TRP H H 29 7.982 7.849 0.133 1
1 182 . 5 1 1 A 29 29 TRP HA H 29 4.198 4.734 -0.536 1
1 191 . 5 1 1 A 29 29 TRP N N 29 123.876 118.162 5.714 1
1 194 . 5 1 1 A 30 30 ALA HA H 30 4.334 4.543 -0.209 1
1 198 . 5 1 1 A 30 30 ALA N N 30 114.831 138.769 -23.938 1
1 199 . 5 1 1 A 31 31 ALA H H 31 7.855 7.575 0.280 1
1 200 . 5 1 1 A 31 31 ALA HA H 31 4.604 4.921 -0.317 1
1 204 . 5 1 1 A 31 31 ALA N N 31 119.366 119.543 -0.177 1
1 205 . 5 1 1 A 32 32 GLN H H 32 6.836 8.794 -1.958 1
1 206 . 5 1 1 A 32 32 GLN HA H 32 4.254 4.509 -0.255 1
1 213 . 5 1 1 A 32 32 GLN N N 32 115.145 124.770 -9.625 1
1 215 . 5 1 1 A 33 33 GLU H H 33 8.729 8.636 0.093 1
1 216 . 5 1 1 A 33 33 GLU HA H 33 4.464 5.122 -0.658 1
1 221 . 5 1 1 A 33 33 GLU N N 33 118.546 120.005 -1.459 1
1 222 . 5 1 1 A 34 34 PRO HA H 34 4.507 4.397 0.110 1
1 226 . 5 1 1 A 35 35 HIS H H 35 9.736 7.443 2.293 1
1 227 . 5 1 1 A 35 35 HIS HA H 35 4.861 4.451 0.410 1
1 230 . 5 1 1 A 35 35 HIS N N 35 117.871 116.972 0.899 1
1 231 . 5 1 1 A 36 36 ARG H H 36 9.255 8.222 1.033 1
1 232 . 5 1 1 A 36 36 ARG HA H 36 4.368 4.873 -0.505 1
1 234 . 5 1 1 A 36 36 ARG N N 36 119.886 119.086 0.800 1
1 235 . 5 1 1 A 37 37 HIS H H 37 8.487 7.998 0.489 1
1 236 . 5 1 1 A 37 37 HIS HA H 37 4.969 5.052 -0.083 1
1 242 . 5 1 1 A 37 37 HIS N N 37 118.654 110.081 8.573 1
1 245 . 5 1 1 A 38 38 SER HA H 38 4.516 4.426 0.090 1
1 248 . 5 1 1 A 38 38 SER N N 38 126.261 136.447 -10.186 1
1 249 . 5 1 1 A 39 39 ILE H H 39 8.191 8.358 -0.167 1
1 250 . 5 1 1 A 39 39 ILE HA H 39 5.197 4.160 1.037 1
1 259 . 5 1 1 A 39 39 ILE N N 39 106.468 117.246 -10.778 1
1 260 . 5 1 1 A 40 40 PHE H H 40 8.158 7.557 0.601 1
1 261 . 5 1 1 A 40 40 PHE HA H 40 4.099 4.394 -0.295 1
1 269 . 5 1 1 A 40 40 PHE N N 40 116.320 111.278 5.042 1
1 270 . 5 1 1 A 41 41 THR H H 41 7.254 7.931 -0.677 1
1 271 . 5 1 1 A 41 41 THR HA H 41 4.503 5.238 -0.735 1
1 273 . 5 1 1 A 41 41 THR N N 41 113.915 119.606 -5.691 1
1 274 . 5 1 1 A 42 42 PRO HA H 42 4.166 4.428 -0.262 1
1 280 . 5 1 1 A 43 43 GLU H H 43 7.824 8.616 -0.792 1
1 281 . 5 1 1 A 43 43 GLU HA H 43 4.161 4.209 -0.048 1
1 284 . 5 1 1 A 43 43 GLU N N 43 112.032 117.265 -5.233 1
1 285 . 5 1 1 A 44 44 THR H H 44 7.859 7.468 0.391 1
1 286 . 5 1 1 A 44 44 THR HA H 44 4.213 4.378 -0.165 1
1 287 . 5 1 1 A 44 44 THR N N 44 109.971 120.776 -10.805 1
1 288 . 5 1 1 A 45 45 ASN H H 45 7.828 7.871 -0.043 1
1 294 . 5 1 1 A 45 45 ASN N N 45 118.292 107.740 10.552 1
1 299 . 5 1 1 A 47 47 ARG H H 47 8.778 8.218 0.560 1
1 300 . 5 1 1 A 47 47 ARG HA H 47 4.594 4.774 -0.180 1
1 307 . 5 1 1 A 47 47 ARG N N 47 117.742 121.369 -3.627 1
1 309 . 5 1 1 A 48 48 ALA H H 48 7.139 8.996 -1.857 1
1 310 . 5 1 1 A 48 48 ALA HA H 48 4.439 3.931 0.508 1
1 314 . 5 1 1 A 48 48 ALA N N 48 119.525 119.436 0.089 1
1 315 . 5 1 1 A 49 49 GLY H H 49 8.256 8.274 -0.018 1
1 318 . 5 1 1 A 49 49 GLY N N 49 108.423 122.320 -13.897 1
1 319 . 5 1 1 A 50 50 LEU H H 50 9.144 7.267 1.877 1
1 320 . 5 1 1 A 50 50 LEU HA H 50 3.268 4.711 -1.443 1
1 330 . 5 1 1 A 50 50 LEU N N 50 121.605 121.093 0.512 1
1 331 . 5 1 1 A 51 51 GLU H H 51 7.651 9.455 -1.804 1
1 332 . 5 1 1 A 51 51 GLU HA H 51 4.504 4.889 -0.385 1
1 335 . 5 1 1 A 51 51 GLU N N 51 124.470 122.500 1.970 1
1 336 . 5 1 1 A 52 52 LYS H H 52 8.878 8.681 0.197 1
1 337 . 5 1 1 A 52 52 LYS HA H 52 3.618 5.024 -1.406 1
1 341 . 5 1 1 A 52 52 LYS N N 52 118.010 123.049 -5.039 1
1 342 . 5 1 1 A 53 53 ASN H H 53 7.874 8.285 -0.411 1
1 343 . 5 1 1 A 53 53 ASN HA H 53 4.574 5.312 -0.738 1
1 348 . 5 1 1 A 53 53 ASN N N 53 122.833 120.219 2.614 1
1 351 . 5 1 1 A 54 54 TYR HA H 54 4.992 4.380 0.612 1
1 358 . 5 1 1 A 54 54 TYR N N 54 112.865 138.806 -25.941 1
1 359 . 5 1 1 A 55 55 CYS H H 55 8.917 8.148 0.769 1
1 360 . 5 1 1 A 55 55 CYS HA H 55 4.488 4.794 -0.306 1
1 363 . 5 1 1 A 55 55 CYS N N 55 118.745 115.500 3.245 1
1 364 . 5 1 1 A 56 56 ARG H H 56 9.470 8.111 1.359 1
1 372 . 5 1 1 A 56 56 ARG N N 56 123.525 109.381 14.144 1
1 374 . 5 1 1 A 57 57 ASN H H 57 8.417 8.549 -0.132 1
1 375 . 5 1 1 A 57 57 ASN HA H 57 5.540 4.645 0.895 1
1 380 . 5 1 1 A 57 57 ASN N N 57 113.293 120.725 -7.432 1
1 382 . 5 1 1 A 58 58 PRO HA H 58 4.454 4.100 0.354 1
1 389 . 5 1 1 A 59 59 ASP H H 59 9.547 8.069 1.478 1
1 393 . 5 1 1 A 59 59 ASP N N 59 114.552 109.901 4.651 1
1 394 . 5 1 1 A 60 60 GLY H H 60 7.436 7.576 -0.140 1
1 395 . 5 1 1 A 60 60 GLY HA2 H 60 3.311 4.191 -0.880 1
1 396 . 5 1 1 A 60 60 GLY HA3 H 60 3.799 4.196 -0.397 1
1 397 . 5 1 1 A 60 60 GLY N N 60 109.636 106.701 2.935 1
1 399 . 5 1 1 A 61 61 ASP HA H 61 4.369 4.912 -0.543 1
1 401 . 5 1 1 A 61 61 ASP N N 61 123.255 133.114 -9.859 1
1 402 . 5 1 1 A 62 62 VAL H H 62 8.871 8.844 0.027 1
1 403 . 5 1 1 A 62 62 VAL HA H 62 3.997 5.314 -1.317 1
1 411 . 5 1 1 A 62 62 VAL N N 62 127.998 118.263 9.735 1
1 412 . 5 1 1 A 63 63 GLY H H 63 9.855 8.952 0.903 1
1 415 . 5 1 1 A 63 63 GLY N N 63 109.474 116.865 -7.391 1
1 416 . 5 1 1 A 64 64 GLY H H 64 7.718 8.093 -0.375 1
1 419 . 5 1 1 A 64 64 GLY N N 64 107.373 119.142 -11.769 1
1 420 . 5 1 1 A 65 65 PRO HA H 65 4.004 5.000 -0.996 1
1 423 . 5 1 1 A 66 66 TRP H H 66 8.894 8.615 0.279 1
1 424 . 5 1 1 A 66 66 TRP HA H 66 5.340 4.464 0.876 1
1 433 . 5 1 1 A 66 66 TRP N N 66 122.955 113.592 9.363 1
1 435 . 5 1 1 A 67 67 CYS H H 67 8.673 7.739 0.934 1
1 436 . 5 1 1 A 67 67 CYS HA H 67 4.427 5.107 -0.680 1
1 439 . 5 1 1 A 67 67 CYS N N 67 109.130 122.534 -13.404 1
1 441 . 5 1 1 A 68 68 TYR HA H 68 5.167 4.495 0.672 1
1 448 . 5 1 1 A 68 68 TYR N N 68 121.963 141.917 -19.954 1
1 449 . 5 1 1 A 69 69 THR H H 69 7.813 8.753 -0.940 1
1 450 . 5 1 1 A 69 69 THR HA H 69 5.255 4.241 1.014 1
1 456 . 5 1 1 A 69 69 THR N N 69 111.504 117.813 -6.309 1
1 457 . 5 1 1 A 70 70 THR H H 70 7.778 7.065 0.713 1
1 458 . 5 1 1 A 70 70 THR HA H 70 3.977 4.768 -0.791 1
1 463 . 5 1 1 A 70 70 THR N N 70 105.004 115.356 -10.352 1
1 464 . 5 1 1 A 71 71 ASN H H 71 8.714 8.671 0.043 1
1 465 . 5 1 1 A 71 71 ASN HA H 71 5.035 4.303 0.732 1
1 470 . 5 1 1 A 71 71 ASN N N 71 122.506 120.326 2.180 1
1 472 . 5 1 1 A 72 72 PRO HA H 72 3.766 5.206 -1.440 1
1 476 . 5 1 1 A 73 73 ARG H H 73 8.036 8.598 -0.562 1
1 477 . 5 1 1 A 73 73 ARG HA H 73 4.384 4.945 -0.561 1
1 482 . 5 1 1 A 73 73 ARG N N 73 113.053 119.911 -6.858 1
1 484 . 5 1 1 A 74 74 LYS H H 74 7.664 8.843 -1.179 1
1 485 . 5 1 1 A 74 74 LYS HA H 74 4.597 4.993 -0.396 1
1 489 . 5 1 1 A 74 74 LYS N N 74 121.711 119.074 2.637 1
1 490 . 5 1 1 A 75 75 LEU H H 75 8.805 9.280 -0.475 1
1 491 . 5 1 1 A 75 75 LEU HA H 75 2.354 5.334 -2.980 1
1 492 . 5 1 1 A 75 75 LEU N N 75 130.480 119.929 10.551 1
1 493 . 5 1 1 A 76 76 TYR H H 76 7.149 8.951 -1.802 1
1 494 . 5 1 1 A 76 76 TYR HA H 76 5.410 5.039 0.371 1
1 499 . 5 1 1 A 76 76 TYR N N 76 107.886 123.313 -15.427 1
1 500 . 5 1 1 A 77 77 ASP H H 77 8.557 8.548 0.009 1
1 501 . 5 1 1 A 77 77 ASP HA H 77 4.095 4.676 -0.581 1
1 504 . 5 1 1 A 77 77 ASP N N 77 116.171 124.905 -8.734 1
1 506 . 5 1 1 A 78 78 TYR HA H 78 4.577 4.564 0.013 1
1 513 . 5 1 1 A 78 78 TYR N N 78 118.199 140.808 -22.609 1
1 514 . 5 1 1 A 79 79 CYS H H 79 8.718 8.465 0.253 1
1 515 . 5 1 1 A 79 79 CYS HA H 79 4.758 4.363 0.395 1
1 518 . 5 1 1 A 79 79 CYS N N 79 116.747 120.651 -3.904 1
1 519 . 5 1 1 A 80 80 ASP H H 80 9.093 9.590 -0.497 1
1 520 . 5 1 1 A 80 80 ASP HA H 80 4.568 4.154 0.414 1
1 523 . 5 1 1 A 80 80 ASP N N 80 122.193 125.899 -3.706 1
1 524 . 5 1 1 A 81 81 VAL H H 81 7.782 7.136 0.646 1
1 525 . 5 1 1 A 81 81 VAL HA H 81 4.102 4.370 -0.268 1
1 533 . 5 1 1 A 81 81 VAL N N 81 123.869 121.158 2.711 1
1 5 . 6 1 1 A 2 2 ASN H H 2 8.147 8.762 -0.615 1
1 6 . 6 1 1 A 2 2 ASN HA H 2 4.619 5.280 -0.661 1
1 10 . 6 1 1 A 2 2 ASN N N 2 117.923 120.009 -2.086 1
1 12 . 6 1 1 A 3 3 ALA H H 3 8.340 9.061 -0.721 1
1 13 . 6 1 1 A 3 3 ALA HA H 3 4.234 5.113 -0.879 1
1 17 . 6 1 1 A 3 3 ALA N N 3 124.095 120.489 3.606 1
1 18 . 6 1 1 A 4 4 ASP H H 4 8.408 9.587 -1.179 1
1 22 . 6 1 1 A 4 4 ASP N N 4 120.996 114.808 6.188 1
1 23 . 6 1 1 A 5 5 CYS H H 5 8.035 8.868 -0.833 1
1 24 . 6 1 1 A 5 5 CYS HA H 5 4.947 4.740 0.207 1
1 26 . 6 1 1 A 5 5 CYS N N 5 118.050 125.074 -7.024 1
1 27 . 6 1 1 A 6 6 MET H H 6 9.169 7.584 1.585 1
1 31 . 6 1 1 A 6 6 MET N N 6 117.506 107.282 10.224 1
1 32 . 6 1 1 A 7 7 PHE H H 7 9.290 8.533 0.757 1
1 33 . 6 1 1 A 7 7 PHE HA H 7 4.961 4.266 0.695 1
1 41 . 6 1 1 A 7 7 PHE N N 7 119.609 120.427 -0.818 1
1 42 . 6 1 1 A 8 8 GLY H H 8 9.314 8.068 1.246 1
1 43 . 6 1 1 A 8 8 GLY HA2 H 8 3.817 3.937 -0.120 1
1 44 . 6 1 1 A 8 8 GLY HA3 H 8 4.038 3.962 0.076 1
1 45 . 6 1 1 A 8 8 GLY N N 8 115.285 107.795 7.490 1
1 46 . 6 1 1 A 9 9 ASN H H 9 8.563 7.871 0.692 1
1 47 . 6 1 1 A 9 9 ASN HA H 9 4.788 4.709 0.079 1
1 52 . 6 1 1 A 9 9 ASN N N 9 121.190 121.994 -0.804 1
1 54 . 6 1 1 A 10 10 GLY H H 10 8.650 8.862 -0.212 1
1 57 . 6 1 1 A 10 10 GLY N N 10 104.975 128.234 -23.259 1
1 58 . 6 1 1 A 11 11 LYS H H 11 8.616 7.418 1.198 1
1 63 . 6 1 1 A 11 11 LYS N N 11 124.787 108.366 16.421 1
1 64 . 6 1 1 A 12 12 GLY H H 12 8.674 9.376 -0.702 1
1 67 . 6 1 1 A 12 12 GLY N N 12 102.671 116.747 -14.076 1
1 68 . 6 1 1 A 13 13 TYR H H 13 7.632 7.821 -0.189 1
1 69 . 6 1 1 A 13 13 TYR HA H 13 4.456 4.458 -0.002 1
1 76 . 6 1 1 A 13 13 TYR N N 13 120.588 120.700 -0.112 1
1 77 . 6 1 1 A 14 14 ARG H H 14 9.249 8.900 0.349 1
1 78 . 6 1 1 A 14 14 ARG HA H 14 4.109 4.562 -0.453 1
1 82 . 6 1 1 A 14 14 ARG N N 14 131.346 117.160 14.186 1
1 84 . 6 1 1 A 15 15 GLY H H 15 4.280 7.641 -3.361 1
1 87 . 6 1 1 A 15 15 GLY N N 15 104.876 111.590 -6.714 1
1 88 . 6 1 1 A 16 16 LYS H H 16 8.781 8.829 -0.048 1
1 89 . 6 1 1 A 16 16 LYS HA H 16 4.167 4.611 -0.444 1
1 95 . 6 1 1 A 16 16 LYS N N 16 116.399 114.718 1.681 1
1 96 . 6 1 1 A 17 17 ARG H H 17 7.493 9.213 -1.720 1
1 97 . 6 1 1 A 17 17 ARG HA H 17 4.360 3.875 0.485 1
1 104 . 6 1 1 A 17 17 ARG N N 17 121.452 118.281 3.171 1
1 106 . 6 1 1 A 18 18 VAL H H 18 8.298 7.663 0.635 1
1 107 . 6 1 1 A 18 18 VAL HA H 18 5.005 4.444 0.561 1
1 115 . 6 1 1 A 18 18 VAL N N 18 113.240 111.143 2.097 1
1 116 . 6 1 1 A 19 19 THR H H 19 7.209 8.114 -0.905 1
1 122 . 6 1 1 A 19 19 THR N N 19 111.368 111.836 -0.468 1
1 123 . 6 1 1 A 20 20 THR H H 20 8.518 7.615 0.903 1
1 124 . 6 1 1 A 20 20 THR HA H 20 4.605 4.348 0.257 1
1 129 . 6 1 1 A 20 20 THR N N 20 110.279 117.044 -6.765 1
1 131 . 6 1 1 A 21 21 VAL HA H 21 4.049 4.581 -0.532 1
1 139 . 6 1 1 A 21 21 VAL N N 21 116.629 142.133 -25.504 1
1 140 . 6 1 1 A 22 22 THR H H 22 7.376 8.181 -0.805 1
1 141 . 6 1 1 A 22 22 THR HA H 22 4.521 4.560 -0.039 1
1 145 . 6 1 1 A 22 22 THR N N 22 108.221 122.191 -13.970 1
1 146 . 6 1 1 A 23 23 GLY H H 23 8.345 9.103 -0.758 1
1 149 . 6 1 1 A 23 23 GLY N N 23 110.656 124.433 -13.777 1
1 150 . 6 1 1 A 24 24 THR H H 24 7.330 8.714 -1.384 1
1 151 . 6 1 1 A 24 24 THR HA H 24 4.419 5.027 -0.608 1
1 156 . 6 1 1 A 24 24 THR N N 24 119.053 123.387 -4.334 1
1 157 . 6 1 1 A 25 25 PRO HA H 25 4.601 4.709 -0.108 1
1 161 . 6 1 1 A 26 26 CYS H H 26 8.451 7.688 0.763 1
1 162 . 6 1 1 A 26 26 CYS HA H 26 4.715 4.293 0.422 1
1 165 . 6 1 1 A 26 26 CYS N N 26 123.739 120.858 2.881 1
1 166 . 6 1 1 A 27 27 GLN H H 27 9.557 8.412 1.145 1
1 167 . 6 1 1 A 27 27 GLN HA H 27 3.946 4.597 -0.651 1
1 174 . 6 1 1 A 27 27 GLN N N 27 126.620 119.918 6.702 1
1 176 . 6 1 1 A 28 28 ASP H H 28 8.849 8.729 0.120 1
1 177 . 6 1 1 A 28 28 ASP HA H 28 4.419 5.023 -0.604 1
1 180 . 6 1 1 A 28 28 ASP N N 28 126.815 119.651 7.164 1
1 181 . 6 1 1 A 29 29 TRP H H 29 7.982 7.830 0.152 1
1 182 . 6 1 1 A 29 29 TRP HA H 29 4.198 4.760 -0.562 1
1 191 . 6 1 1 A 29 29 TRP N N 29 123.876 118.168 5.708 1
1 194 . 6 1 1 A 30 30 ALA HA H 30 4.334 4.570 -0.236 1
1 198 . 6 1 1 A 30 30 ALA N N 30 114.831 138.006 -23.175 1
1 199 . 6 1 1 A 31 31 ALA H H 31 7.855 7.568 0.287 1
1 200 . 6 1 1 A 31 31 ALA HA H 31 4.604 4.941 -0.337 1
1 204 . 6 1 1 A 31 31 ALA N N 31 119.366 119.556 -0.190 1
1 205 . 6 1 1 A 32 32 GLN H H 32 6.836 8.895 -2.059 1
1 206 . 6 1 1 A 32 32 GLN HA H 32 4.254 4.571 -0.317 1
1 213 . 6 1 1 A 32 32 GLN N N 32 115.145 124.888 -9.743 1
1 215 . 6 1 1 A 33 33 GLU H H 33 8.729 8.782 -0.053 1
1 216 . 6 1 1 A 33 33 GLU HA H 33 4.464 5.183 -0.719 1
1 221 . 6 1 1 A 33 33 GLU N N 33 118.546 119.851 -1.305 1
1 222 . 6 1 1 A 34 34 PRO HA H 34 4.507 4.348 0.159 1
1 226 . 6 1 1 A 35 35 HIS H H 35 9.736 7.567 2.169 1
1 227 . 6 1 1 A 35 35 HIS HA H 35 4.861 4.447 0.414 1
1 230 . 6 1 1 A 35 35 HIS N N 35 117.871 116.988 0.883 1
1 231 . 6 1 1 A 36 36 ARG H H 36 9.255 8.220 1.035 1
1 232 . 6 1 1 A 36 36 ARG HA H 36 4.368 4.809 -0.441 1
1 234 . 6 1 1 A 36 36 ARG N N 36 119.886 119.439 0.447 1
1 235 . 6 1 1 A 37 37 HIS H H 37 8.487 7.904 0.583 1
1 236 . 6 1 1 A 37 37 HIS HA H 37 4.969 5.039 -0.070 1
1 242 . 6 1 1 A 37 37 HIS N N 37 118.654 110.037 8.617 1
1 245 . 6 1 1 A 38 38 SER HA H 38 4.516 4.437 0.079 1
1 248 . 6 1 1 A 38 38 SER N N 38 126.261 136.074 -9.813 1
1 249 . 6 1 1 A 39 39 ILE H H 39 8.191 8.313 -0.122 1
1 250 . 6 1 1 A 39 39 ILE HA H 39 5.197 4.135 1.062 1
1 259 . 6 1 1 A 39 39 ILE N N 39 106.468 117.349 -10.881 1
1 260 . 6 1 1 A 40 40 PHE H H 40 8.158 7.551 0.607 1
1 261 . 6 1 1 A 40 40 PHE HA H 40 4.099 4.404 -0.305 1
1 269 . 6 1 1 A 40 40 PHE N N 40 116.320 110.993 5.327 1
1 270 . 6 1 1 A 41 41 THR H H 41 7.254 7.954 -0.700 1
1 271 . 6 1 1 A 41 41 THR HA H 41 4.503 5.222 -0.719 1
1 273 . 6 1 1 A 41 41 THR N N 41 113.915 119.638 -5.723 1
1 274 . 6 1 1 A 42 42 PRO HA H 42 4.166 4.499 -0.333 1
1 280 . 6 1 1 A 43 43 GLU H H 43 7.824 8.455 -0.631 1
1 281 . 6 1 1 A 43 43 GLU HA H 43 4.161 4.255 -0.094 1
1 284 . 6 1 1 A 43 43 GLU N N 43 112.032 117.251 -5.219 1
1 285 . 6 1 1 A 44 44 THR H H 44 7.859 7.272 0.587 1
1 286 . 6 1 1 A 44 44 THR HA H 44 4.213 4.359 -0.146 1
1 287 . 6 1 1 A 44 44 THR N N 44 109.971 120.441 -10.470 1
1 288 . 6 1 1 A 45 45 ASN H H 45 7.828 7.831 -0.003 1
1 294 . 6 1 1 A 45 45 ASN N N 45 118.292 107.839 10.453 1
1 299 . 6 1 1 A 47 47 ARG H H 47 8.778 8.070 0.708 1
1 300 . 6 1 1 A 47 47 ARG HA H 47 4.594 4.700 -0.106 1
1 307 . 6 1 1 A 47 47 ARG N N 47 117.742 123.326 -5.584 1
1 309 . 6 1 1 A 48 48 ALA H H 48 7.139 8.918 -1.779 1
1 310 . 6 1 1 A 48 48 ALA HA H 48 4.439 3.949 0.490 1
1 314 . 6 1 1 A 48 48 ALA N N 48 119.525 119.609 -0.084 1
1 315 . 6 1 1 A 49 49 GLY H H 49 8.256 8.191 0.065 1
1 318 . 6 1 1 A 49 49 GLY N N 49 108.423 122.260 -13.837 1
1 319 . 6 1 1 A 50 50 LEU H H 50 9.144 7.332 1.812 1
1 320 . 6 1 1 A 50 50 LEU HA H 50 3.268 4.757 -1.489 1
1 330 . 6 1 1 A 50 50 LEU N N 50 121.605 121.400 0.205 1
1 331 . 6 1 1 A 51 51 GLU H H 51 7.651 9.385 -1.734 1
1 332 . 6 1 1 A 51 51 GLU HA H 51 4.504 4.951 -0.447 1
1 335 . 6 1 1 A 51 51 GLU N N 51 124.470 122.780 1.690 1
1 336 . 6 1 1 A 52 52 LYS H H 52 8.878 8.708 0.170 1
1 337 . 6 1 1 A 52 52 LYS HA H 52 3.618 4.946 -1.328 1
1 341 . 6 1 1 A 52 52 LYS N N 52 118.010 121.979 -3.969 1
1 342 . 6 1 1 A 53 53 ASN H H 53 7.874 8.353 -0.479 1
1 343 . 6 1 1 A 53 53 ASN HA H 53 4.574 5.296 -0.722 1
1 348 . 6 1 1 A 53 53 ASN N N 53 122.833 120.267 2.566 1
1 351 . 6 1 1 A 54 54 TYR HA H 54 4.992 4.488 0.504 1
1 358 . 6 1 1 A 54 54 TYR N N 54 112.865 139.027 -26.162 1
1 359 . 6 1 1 A 55 55 CYS H H 55 8.917 8.160 0.757 1
1 360 . 6 1 1 A 55 55 CYS HA H 55 4.488 4.827 -0.339 1
1 363 . 6 1 1 A 55 55 CYS N N 55 118.745 115.943 2.802 1
1 364 . 6 1 1 A 56 56 ARG H H 56 9.470 7.978 1.492 1
1 372 . 6 1 1 A 56 56 ARG N N 56 123.525 109.288 14.237 1
1 374 . 6 1 1 A 57 57 ASN H H 57 8.417 8.491 -0.074 1
1 375 . 6 1 1 A 57 57 ASN HA H 57 5.540 4.616 0.924 1
1 380 . 6 1 1 A 57 57 ASN N N 57 113.293 120.562 -7.269 1
1 382 . 6 1 1 A 58 58 PRO HA H 58 4.454 4.326 0.128 1
1 389 . 6 1 1 A 59 59 ASP H H 59 9.547 7.827 1.720 1
1 393 . 6 1 1 A 59 59 ASP N N 59 114.552 110.311 4.241 1
1 394 . 6 1 1 A 60 60 GLY H H 60 7.436 7.585 -0.149 1
1 395 . 6 1 1 A 60 60 GLY HA2 H 60 3.311 4.164 -0.853 1
1 396 . 6 1 1 A 60 60 GLY HA3 H 60 3.799 4.166 -0.367 1
1 397 . 6 1 1 A 60 60 GLY N N 60 109.636 106.758 2.878 1
1 399 . 6 1 1 A 61 61 ASP HA H 61 4.369 5.017 -0.648 1
1 401 . 6 1 1 A 61 61 ASP N N 61 123.255 133.002 -9.747 1
1 402 . 6 1 1 A 62 62 VAL H H 62 8.871 9.071 -0.200 1
1 403 . 6 1 1 A 62 62 VAL HA H 62 3.997 5.323 -1.326 1
1 411 . 6 1 1 A 62 62 VAL N N 62 127.998 118.957 9.041 1
1 412 . 6 1 1 A 63 63 GLY H H 63 9.855 8.886 0.969 1
1 415 . 6 1 1 A 63 63 GLY N N 63 109.474 116.796 -7.322 1
1 416 . 6 1 1 A 64 64 GLY H H 64 7.718 8.058 -0.340 1
1 419 . 6 1 1 A 64 64 GLY N N 64 107.373 119.018 -11.645 1
1 420 . 6 1 1 A 65 65 PRO HA H 65 4.004 4.895 -0.891 1
1 423 . 6 1 1 A 66 66 TRP H H 66 8.894 8.632 0.262 1
1 424 . 6 1 1 A 66 66 TRP HA H 66 5.340 4.493 0.847 1
1 433 . 6 1 1 A 66 66 TRP N N 66 122.955 113.911 9.044 1
1 435 . 6 1 1 A 67 67 CYS H H 67 8.673 7.560 1.113 1
1 436 . 6 1 1 A 67 67 CYS HA H 67 4.427 5.169 -0.742 1
1 439 . 6 1 1 A 67 67 CYS N N 67 109.130 122.233 -13.103 1
1 441 . 6 1 1 A 68 68 TYR HA H 68 5.167 4.488 0.679 1
1 448 . 6 1 1 A 68 68 TYR N N 68 121.963 141.689 -19.726 1
1 449 . 6 1 1 A 69 69 THR H H 69 7.813 8.572 -0.759 1
1 450 . 6 1 1 A 69 69 THR HA H 69 5.255 4.234 1.021 1
1 456 . 6 1 1 A 69 69 THR N N 69 111.504 117.764 -6.260 1
1 457 . 6 1 1 A 70 70 THR H H 70 7.778 7.446 0.332 1
1 458 . 6 1 1 A 70 70 THR HA H 70 3.977 4.787 -0.810 1
1 463 . 6 1 1 A 70 70 THR N N 70 105.004 114.999 -9.995 1
1 464 . 6 1 1 A 71 71 ASN H H 71 8.714 8.618 0.096 1
1 465 . 6 1 1 A 71 71 ASN HA H 71 5.035 4.314 0.721 1
1 470 . 6 1 1 A 71 71 ASN N N 71 122.506 120.307 2.199 1
1 472 . 6 1 1 A 72 72 PRO HA H 72 3.766 5.196 -1.430 1
1 476 . 6 1 1 A 73 73 ARG H H 73 8.036 8.600 -0.564 1
1 477 . 6 1 1 A 73 73 ARG HA H 73 4.384 4.952 -0.568 1
1 482 . 6 1 1 A 73 73 ARG N N 73 113.053 119.925 -6.872 1
1 484 . 6 1 1 A 74 74 LYS H H 74 7.664 8.884 -1.220 1
1 485 . 6 1 1 A 74 74 LYS HA H 74 4.597 5.068 -0.471 1
1 489 . 6 1 1 A 74 74 LYS N N 74 121.711 119.327 2.384 1
1 490 . 6 1 1 A 75 75 LEU H H 75 8.805 9.256 -0.451 1
1 491 . 6 1 1 A 75 75 LEU HA H 75 2.354 5.211 -2.857 1
1 492 . 6 1 1 A 75 75 LEU N N 75 130.480 120.790 9.690 1
1 493 . 6 1 1 A 76 76 TYR H H 76 7.149 8.926 -1.777 1
1 494 . 6 1 1 A 76 76 TYR HA H 76 5.410 4.950 0.460 1
1 499 . 6 1 1 A 76 76 TYR N N 76 107.886 123.328 -15.442 1
1 500 . 6 1 1 A 77 77 ASP H H 77 8.557 8.184 0.373 1
1 501 . 6 1 1 A 77 77 ASP HA H 77 4.095 4.495 -0.400 1
1 504 . 6 1 1 A 77 77 ASP N N 77 116.171 123.463 -7.292 1
1 506 . 6 1 1 A 78 78 TYR HA H 78 4.577 4.520 0.057 1
1 513 . 6 1 1 A 78 78 TYR N N 78 118.199 141.357 -23.158 1
1 514 . 6 1 1 A 79 79 CYS H H 79 8.718 8.468 0.250 1
1 515 . 6 1 1 A 79 79 CYS HA H 79 4.758 4.294 0.464 1
1 518 . 6 1 1 A 79 79 CYS N N 79 116.747 120.818 -4.071 1
1 519 . 6 1 1 A 80 80 ASP H H 80 9.093 9.428 -0.335 1
1 520 . 6 1 1 A 80 80 ASP HA H 80 4.568 4.195 0.373 1
1 523 . 6 1 1 A 80 80 ASP N N 80 122.193 125.328 -3.135 1
1 524 . 6 1 1 A 81 81 VAL H H 81 7.782 7.188 0.594 1
1 525 . 6 1 1 A 81 81 VAL HA H 81 4.102 4.429 -0.327 1
1 533 . 6 1 1 A 81 81 VAL N N 81 123.869 121.293 2.576 1
1 5 . 7 1 1 A 2 2 ASN H H 2 8.147 8.507 -0.360 1
1 6 . 7 1 1 A 2 2 ASN HA H 2 4.619 5.309 -0.690 1
1 10 . 7 1 1 A 2 2 ASN N N 2 117.923 120.821 -2.898 1
1 12 . 7 1 1 A 3 3 ALA H H 3 8.340 8.998 -0.658 1
1 13 . 7 1 1 A 3 3 ALA HA H 3 4.234 5.108 -0.874 1
1 17 . 7 1 1 A 3 3 ALA N N 3 124.095 120.445 3.650 1
1 18 . 7 1 1 A 4 4 ASP H H 4 8.408 9.705 -1.297 1
1 22 . 7 1 1 A 4 4 ASP N N 4 120.996 114.822 6.174 1
1 23 . 7 1 1 A 5 5 CYS H H 5 8.035 8.824 -0.789 1
1 24 . 7 1 1 A 5 5 CYS HA H 5 4.947 4.779 0.168 1
1 26 . 7 1 1 A 5 5 CYS N N 5 118.050 125.003 -6.953 1
1 27 . 7 1 1 A 6 6 MET H H 6 9.169 7.552 1.617 1
1 31 . 7 1 1 A 6 6 MET N N 6 117.506 107.195 10.311 1
1 32 . 7 1 1 A 7 7 PHE H H 7 9.290 8.521 0.769 1
1 33 . 7 1 1 A 7 7 PHE HA H 7 4.961 4.271 0.690 1
1 41 . 7 1 1 A 7 7 PHE N N 7 119.609 120.252 -0.643 1
1 42 . 7 1 1 A 8 8 GLY H H 8 9.314 8.068 1.246 1
1 43 . 7 1 1 A 8 8 GLY HA2 H 8 3.817 3.967 -0.150 1
1 44 . 7 1 1 A 8 8 GLY HA3 H 8 4.038 3.984 0.054 1
1 45 . 7 1 1 A 8 8 GLY N N 8 115.285 107.809 7.476 1
1 46 . 7 1 1 A 9 9 ASN H H 9 8.563 7.904 0.659 1
1 47 . 7 1 1 A 9 9 ASN HA H 9 4.788 4.646 0.142 1
1 52 . 7 1 1 A 9 9 ASN N N 9 121.190 122.109 -0.919 1
1 54 . 7 1 1 A 10 10 GLY H H 10 8.650 8.876 -0.226 1
1 57 . 7 1 1 A 10 10 GLY N N 10 104.975 128.449 -23.474 1
1 58 . 7 1 1 A 11 11 LYS H H 11 8.616 7.362 1.254 1
1 63 . 7 1 1 A 11 11 LYS N N 11 124.787 108.434 16.353 1
1 64 . 7 1 1 A 12 12 GLY H H 12 8.674 9.387 -0.713 1
1 67 . 7 1 1 A 12 12 GLY N N 12 102.671 115.964 -13.293 1
1 68 . 7 1 1 A 13 13 TYR H H 13 7.632 7.806 -0.174 1
1 69 . 7 1 1 A 13 13 TYR HA H 13 4.456 4.478 -0.022 1
1 76 . 7 1 1 A 13 13 TYR N N 13 120.588 120.589 -0.001 1
1 77 . 7 1 1 A 14 14 ARG H H 14 9.249 8.915 0.334 1
1 78 . 7 1 1 A 14 14 ARG HA H 14 4.109 4.578 -0.469 1
1 82 . 7 1 1 A 14 14 ARG N N 14 131.346 117.237 14.109 1
1 84 . 7 1 1 A 15 15 GLY H H 15 4.280 7.568 -3.288 1
1 87 . 7 1 1 A 15 15 GLY N N 15 104.876 115.850 -10.974 1
1 88 . 7 1 1 A 16 16 LYS H H 16 8.781 9.036 -0.255 1
1 89 . 7 1 1 A 16 16 LYS HA H 16 4.167 4.639 -0.472 1
1 95 . 7 1 1 A 16 16 LYS N N 16 116.399 117.346 -0.947 1
1 96 . 7 1 1 A 17 17 ARG H H 17 7.493 9.363 -1.870 1
1 97 . 7 1 1 A 17 17 ARG HA H 17 4.360 3.880 0.480 1
1 104 . 7 1 1 A 17 17 ARG N N 17 121.452 118.213 3.239 1
1 106 . 7 1 1 A 18 18 VAL H H 18 8.298 7.344 0.954 1
1 107 . 7 1 1 A 18 18 VAL HA H 18 5.005 4.430 0.575 1
1 115 . 7 1 1 A 18 18 VAL N N 18 113.240 111.132 2.108 1
1 116 . 7 1 1 A 19 19 THR H H 19 7.209 8.125 -0.916 1
1 122 . 7 1 1 A 19 19 THR N N 19 111.368 111.872 -0.504 1
1 123 . 7 1 1 A 20 20 THR H H 20 8.518 7.668 0.850 1
1 124 . 7 1 1 A 20 20 THR HA H 20 4.605 4.361 0.244 1
1 129 . 7 1 1 A 20 20 THR N N 20 110.279 116.855 -6.576 1
1 131 . 7 1 1 A 21 21 VAL HA H 21 4.049 4.476 -0.427 1
1 139 . 7 1 1 A 21 21 VAL N N 21 116.629 141.975 -25.346 1
1 140 . 7 1 1 A 22 22 THR H H 22 7.376 8.467 -1.091 1
1 141 . 7 1 1 A 22 22 THR HA H 22 4.521 4.647 -0.126 1
1 145 . 7 1 1 A 22 22 THR N N 22 108.221 122.109 -13.888 1
1 146 . 7 1 1 A 23 23 GLY H H 23 8.345 9.087 -0.742 1
1 149 . 7 1 1 A 23 23 GLY N N 23 110.656 124.632 -13.976 1
1 150 . 7 1 1 A 24 24 THR H H 24 7.330 8.707 -1.377 1
1 151 . 7 1 1 A 24 24 THR HA H 24 4.419 4.982 -0.563 1
1 156 . 7 1 1 A 24 24 THR N N 24 119.053 122.925 -3.872 1
1 157 . 7 1 1 A 25 25 PRO HA H 25 4.601 4.741 -0.140 1
1 161 . 7 1 1 A 26 26 CYS H H 26 8.451 7.718 0.733 1
1 162 . 7 1 1 A 26 26 CYS HA H 26 4.715 4.286 0.429 1
1 165 . 7 1 1 A 26 26 CYS N N 26 123.739 120.982 2.757 1
1 166 . 7 1 1 A 27 27 GLN H H 27 9.557 8.160 1.397 1
1 167 . 7 1 1 A 27 27 GLN HA H 27 3.946 4.417 -0.471 1
1 174 . 7 1 1 A 27 27 GLN N N 27 126.620 120.026 6.594 1
1 176 . 7 1 1 A 28 28 ASP H H 28 8.849 8.784 0.065 1
1 177 . 7 1 1 A 28 28 ASP HA H 28 4.419 4.869 -0.450 1
1 180 . 7 1 1 A 28 28 ASP N N 28 126.815 119.751 7.064 1
1 181 . 7 1 1 A 29 29 TRP H H 29 7.982 7.826 0.156 1
1 182 . 7 1 1 A 29 29 TRP HA H 29 4.198 4.754 -0.556 1
1 191 . 7 1 1 A 29 29 TRP N N 29 123.876 118.145 5.731 1
1 194 . 7 1 1 A 30 30 ALA HA H 30 4.334 4.522 -0.188 1
1 198 . 7 1 1 A 30 30 ALA N N 30 114.831 138.121 -23.290 1
1 199 . 7 1 1 A 31 31 ALA H H 31 7.855 7.560 0.295 1
1 200 . 7 1 1 A 31 31 ALA HA H 31 4.604 4.981 -0.377 1
1 204 . 7 1 1 A 31 31 ALA N N 31 119.366 119.318 0.048 1
1 205 . 7 1 1 A 32 32 GLN H H 32 6.836 8.584 -1.748 1
1 206 . 7 1 1 A 32 32 GLN HA H 32 4.254 4.304 -0.050 1
1 213 . 7 1 1 A 32 32 GLN N N 32 115.145 123.449 -8.304 1
1 215 . 7 1 1 A 33 33 GLU H H 33 8.729 8.676 0.053 1
1 216 . 7 1 1 A 33 33 GLU HA H 33 4.464 5.156 -0.692 1
1 221 . 7 1 1 A 33 33 GLU N N 33 118.546 118.715 -0.169 1
1 222 . 7 1 1 A 34 34 PRO HA H 34 4.507 4.406 0.101 1
1 226 . 7 1 1 A 35 35 HIS H H 35 9.736 7.428 2.308 1
1 227 . 7 1 1 A 35 35 HIS HA H 35 4.861 4.520 0.341 1
1 230 . 7 1 1 A 35 35 HIS N N 35 117.871 116.797 1.074 1
1 231 . 7 1 1 A 36 36 ARG H H 36 9.255 8.265 0.990 1
1 232 . 7 1 1 A 36 36 ARG HA H 36 4.368 4.829 -0.461 1
1 234 . 7 1 1 A 36 36 ARG N N 36 119.886 119.079 0.807 1
1 235 . 7 1 1 A 37 37 HIS H H 37 8.487 8.167 0.320 1
1 236 . 7 1 1 A 37 37 HIS HA H 37 4.969 5.061 -0.092 1
1 242 . 7 1 1 A 37 37 HIS N N 37 118.654 110.101 8.553 1
1 245 . 7 1 1 A 38 38 SER HA H 38 4.516 4.422 0.094 1
1 248 . 7 1 1 A 38 38 SER N N 38 126.261 136.546 -10.285 1
1 249 . 7 1 1 A 39 39 ILE H H 39 8.191 8.379 -0.188 1
1 250 . 7 1 1 A 39 39 ILE HA H 39 5.197 4.326 0.871 1
1 259 . 7 1 1 A 39 39 ILE N N 39 106.468 117.049 -10.581 1
1 260 . 7 1 1 A 40 40 PHE H H 40 8.158 7.680 0.478 1
1 261 . 7 1 1 A 40 40 PHE HA H 40 4.099 4.354 -0.255 1
1 269 . 7 1 1 A 40 40 PHE N N 40 116.320 111.440 4.880 1
1 270 . 7 1 1 A 41 41 THR H H 41 7.254 7.741 -0.487 1
1 271 . 7 1 1 A 41 41 THR HA H 41 4.503 5.244 -0.741 1
1 273 . 7 1 1 A 41 41 THR N N 41 113.915 119.596 -5.681 1
1 274 . 7 1 1 A 42 42 PRO HA H 42 4.166 4.453 -0.287 1
1 280 . 7 1 1 A 43 43 GLU H H 43 7.824 8.449 -0.625 1
1 281 . 7 1 1 A 43 43 GLU HA H 43 4.161 4.568 -0.407 1
1 284 . 7 1 1 A 43 43 GLU N N 43 112.032 117.356 -5.324 1
1 285 . 7 1 1 A 44 44 THR H H 44 7.859 7.650 0.209 1
1 286 . 7 1 1 A 44 44 THR HA H 44 4.213 4.380 -0.167 1
1 287 . 7 1 1 A 44 44 THR N N 44 109.971 120.510 -10.539 1
1 288 . 7 1 1 A 45 45 ASN H H 45 7.828 7.855 -0.027 1
1 294 . 7 1 1 A 45 45 ASN N N 45 118.292 107.826 10.466 1
1 299 . 7 1 1 A 47 47 ARG H H 47 8.778 7.692 1.086 1
1 300 . 7 1 1 A 47 47 ARG HA H 47 4.594 4.846 -0.252 1
1 307 . 7 1 1 A 47 47 ARG N N 47 117.742 125.014 -7.272 1
1 309 . 7 1 1 A 48 48 ALA H H 48 7.139 8.917 -1.778 1
1 310 . 7 1 1 A 48 48 ALA HA H 48 4.439 3.899 0.540 1
1 314 . 7 1 1 A 48 48 ALA N N 48 119.525 119.705 -0.180 1
1 315 . 7 1 1 A 49 49 GLY H H 49 8.256 8.195 0.061 1
1 318 . 7 1 1 A 49 49 GLY N N 49 108.423 122.191 -13.768 1
1 319 . 7 1 1 A 50 50 LEU H H 50 9.144 7.425 1.719 1
1 320 . 7 1 1 A 50 50 LEU HA H 50 3.268 4.754 -1.486 1
1 330 . 7 1 1 A 50 50 LEU N N 50 121.605 121.376 0.229 1
1 331 . 7 1 1 A 51 51 GLU H H 51 7.651 9.532 -1.881 1
1 332 . 7 1 1 A 51 51 GLU HA H 51 4.504 4.873 -0.369 1
1 335 . 7 1 1 A 51 51 GLU N N 51 124.470 122.778 1.692 1
1 336 . 7 1 1 A 52 52 LYS H H 52 8.878 8.896 -0.018 1
1 337 . 7 1 1 A 52 52 LYS HA H 52 3.618 5.131 -1.513 1
1 341 . 7 1 1 A 52 52 LYS N N 52 118.010 122.869 -4.859 1
1 342 . 7 1 1 A 53 53 ASN H H 53 7.874 8.741 -0.867 1
1 343 . 7 1 1 A 53 53 ASN HA H 53 4.574 5.234 -0.660 1
1 348 . 7 1 1 A 53 53 ASN N N 53 122.833 119.953 2.880 1
1 351 . 7 1 1 A 54 54 TYR HA H 54 4.992 4.445 0.547 1
1 358 . 7 1 1 A 54 54 TYR N N 54 112.865 138.301 -25.436 1
1 359 . 7 1 1 A 55 55 CYS H H 55 8.917 8.106 0.811 1
1 360 . 7 1 1 A 55 55 CYS HA H 55 4.488 4.838 -0.350 1
1 363 . 7 1 1 A 55 55 CYS N N 55 118.745 115.991 2.754 1
1 364 . 7 1 1 A 56 56 ARG H H 56 9.470 7.850 1.620 1
1 372 . 7 1 1 A 56 56 ARG N N 56 123.525 108.276 15.249 1
1 374 . 7 1 1 A 57 57 ASN H H 57 8.417 8.365 0.052 1
1 375 . 7 1 1 A 57 57 ASN HA H 57 5.540 4.589 0.951 1
1 380 . 7 1 1 A 57 57 ASN N N 57 113.293 120.696 -7.403 1
1 382 . 7 1 1 A 58 58 PRO HA H 58 4.454 4.279 0.175 1
1 389 . 7 1 1 A 59 59 ASP H H 59 9.547 8.317 1.230 1
1 393 . 7 1 1 A 59 59 ASP N N 59 114.552 109.522 5.030 1
1 394 . 7 1 1 A 60 60 GLY H H 60 7.436 7.528 -0.092 1
1 395 . 7 1 1 A 60 60 GLY HA2 H 60 3.311 4.157 -0.846 1
1 396 . 7 1 1 A 60 60 GLY HA3 H 60 3.799 4.159 -0.360 1
1 397 . 7 1 1 A 60 60 GLY N N 60 109.636 106.742 2.894 1
1 399 . 7 1 1 A 61 61 ASP HA H 61 4.369 4.911 -0.542 1
1 401 . 7 1 1 A 61 61 ASP N N 61 123.255 133.103 -9.848 1
1 402 . 7 1 1 A 62 62 VAL H H 62 8.871 9.114 -0.243 1
1 403 . 7 1 1 A 62 62 VAL HA H 62 3.997 5.327 -1.330 1
1 411 . 7 1 1 A 62 62 VAL N N 62 127.998 118.218 9.780 1
1 412 . 7 1 1 A 63 63 GLY H H 63 9.855 8.951 0.904 1
1 415 . 7 1 1 A 63 63 GLY N N 63 109.474 116.857 -7.383 1
1 416 . 7 1 1 A 64 64 GLY H H 64 7.718 8.050 -0.332 1
1 419 . 7 1 1 A 64 64 GLY N N 64 107.373 119.012 -11.639 1
1 420 . 7 1 1 A 65 65 PRO HA H 65 4.004 4.984 -0.980 1
1 423 . 7 1 1 A 66 66 TRP H H 66 8.894 8.582 0.312 1
1 424 . 7 1 1 A 66 66 TRP HA H 66 5.340 4.515 0.825 1
1 433 . 7 1 1 A 66 66 TRP N N 66 122.955 113.635 9.320 1
1 435 . 7 1 1 A 67 67 CYS H H 67 8.673 7.612 1.061 1
1 436 . 7 1 1 A 67 67 CYS HA H 67 4.427 5.139 -0.712 1
1 439 . 7 1 1 A 67 67 CYS N N 67 109.130 122.079 -12.949 1
1 441 . 7 1 1 A 68 68 TYR HA H 68 5.167 4.488 0.679 1
1 448 . 7 1 1 A 68 68 TYR N N 68 121.963 141.703 -19.740 1
1 449 . 7 1 1 A 69 69 THR H H 69 7.813 8.727 -0.914 1
1 450 . 7 1 1 A 69 69 THR HA H 69 5.255 4.230 1.025 1
1 456 . 7 1 1 A 69 69 THR N N 69 111.504 117.833 -6.329 1
1 457 . 7 1 1 A 70 70 THR H H 70 7.778 7.477 0.301 1
1 458 . 7 1 1 A 70 70 THR HA H 70 3.977 4.805 -0.828 1
1 463 . 7 1 1 A 70 70 THR N N 70 105.004 115.274 -10.270 1
1 464 . 7 1 1 A 71 71 ASN H H 71 8.714 8.572 0.142 1
1 465 . 7 1 1 A 71 71 ASN HA H 71 5.035 4.277 0.758 1
1 470 . 7 1 1 A 71 71 ASN N N 71 122.506 120.739 1.767 1
1 472 . 7 1 1 A 72 72 PRO HA H 72 3.766 5.134 -1.368 1
1 476 . 7 1 1 A 73 73 ARG H H 73 8.036 8.645 -0.609 1
1 477 . 7 1 1 A 73 73 ARG HA H 73 4.384 5.046 -0.662 1
1 482 . 7 1 1 A 73 73 ARG N N 73 113.053 119.716 -6.663 1
1 484 . 7 1 1 A 74 74 LYS H H 74 7.664 8.904 -1.240 1
1 485 . 7 1 1 A 74 74 LYS HA H 74 4.597 5.061 -0.464 1
1 489 . 7 1 1 A 74 74 LYS N N 74 121.711 118.989 2.722 1
1 490 . 7 1 1 A 75 75 LEU H H 75 8.805 9.247 -0.442 1
1 491 . 7 1 1 A 75 75 LEU HA H 75 2.354 5.338 -2.984 1
1 492 . 7 1 1 A 75 75 LEU N N 75 130.480 120.420 10.060 1
1 493 . 7 1 1 A 76 76 TYR H H 76 7.149 8.913 -1.764 1
1 494 . 7 1 1 A 76 76 TYR HA H 76 5.410 5.033 0.377 1
1 499 . 7 1 1 A 76 76 TYR N N 76 107.886 123.471 -15.585 1
1 500 . 7 1 1 A 77 77 ASP H H 77 8.557 8.413 0.144 1
1 501 . 7 1 1 A 77 77 ASP HA H 77 4.095 4.573 -0.478 1
1 504 . 7 1 1 A 77 77 ASP N N 77 116.171 124.822 -8.651 1
1 506 . 7 1 1 A 78 78 TYR HA H 78 4.577 4.477 0.100 1
1 513 . 7 1 1 A 78 78 TYR N N 78 118.199 140.733 -22.534 1
1 514 . 7 1 1 A 79 79 CYS H H 79 8.718 8.438 0.280 1
1 515 . 7 1 1 A 79 79 CYS HA H 79 4.758 4.372 0.386 1
1 518 . 7 1 1 A 79 79 CYS N N 79 116.747 120.897 -4.150 1
1 519 . 7 1 1 A 80 80 ASP H H 80 9.093 9.573 -0.480 1
1 520 . 7 1 1 A 80 80 ASP HA H 80 4.568 4.160 0.408 1
1 523 . 7 1 1 A 80 80 ASP N N 80 122.193 125.653 -3.460 1
1 524 . 7 1 1 A 81 81 VAL H H 81 7.782 7.123 0.659 1
1 525 . 7 1 1 A 81 81 VAL HA H 81 4.102 4.458 -0.356 1
1 533 . 7 1 1 A 81 81 VAL N N 81 123.869 121.337 2.532 1
1 5 . 8 1 1 A 2 2 ASN H H 2 8.147 8.499 -0.352 1
1 6 . 8 1 1 A 2 2 ASN HA H 2 4.619 5.243 -0.624 1
1 10 . 8 1 1 A 2 2 ASN N N 2 117.923 119.854 -1.931 1
1 12 . 8 1 1 A 3 3 ALA H H 3 8.340 8.969 -0.629 1
1 13 . 8 1 1 A 3 3 ALA HA H 3 4.234 5.103 -0.869 1
1 17 . 8 1 1 A 3 3 ALA N N 3 124.095 119.938 4.157 1
1 18 . 8 1 1 A 4 4 ASP H H 4 8.408 9.603 -1.195 1
1 22 . 8 1 1 A 4 4 ASP N N 4 120.996 114.816 6.180 1
1 23 . 8 1 1 A 5 5 CYS H H 5 8.035 8.873 -0.838 1
1 24 . 8 1 1 A 5 5 CYS HA H 5 4.947 4.744 0.203 1
1 26 . 8 1 1 A 5 5 CYS N N 5 118.050 125.076 -7.026 1
1 27 . 8 1 1 A 6 6 MET H H 6 9.169 7.525 1.644 1
1 31 . 8 1 1 A 6 6 MET N N 6 117.506 107.281 10.225 1
1 32 . 8 1 1 A 7 7 PHE H H 7 9.290 8.558 0.732 1
1 33 . 8 1 1 A 7 7 PHE HA H 7 4.961 4.265 0.696 1
1 41 . 8 1 1 A 7 7 PHE N N 7 119.609 120.439 -0.830 1
1 42 . 8 1 1 A 8 8 GLY H H 8 9.314 8.085 1.229 1
1 43 . 8 1 1 A 8 8 GLY HA2 H 8 3.817 3.973 -0.156 1
1 44 . 8 1 1 A 8 8 GLY HA3 H 8 4.038 3.980 0.058 1
1 45 . 8 1 1 A 8 8 GLY N N 8 115.285 107.732 7.553 1
1 46 . 8 1 1 A 9 9 ASN H H 9 8.563 7.896 0.667 1
1 47 . 8 1 1 A 9 9 ASN HA H 9 4.788 4.647 0.141 1
1 52 . 8 1 1 A 9 9 ASN N N 9 121.190 122.230 -1.040 1
1 54 . 8 1 1 A 10 10 GLY H H 10 8.650 8.847 -0.197 1
1 57 . 8 1 1 A 10 10 GLY N N 10 104.975 128.050 -23.075 1
1 58 . 8 1 1 A 11 11 LYS H H 11 8.616 7.530 1.086 1
1 63 . 8 1 1 A 11 11 LYS N N 11 124.787 108.425 16.362 1
1 64 . 8 1 1 A 12 12 GLY H H 12 8.674 9.231 -0.557 1
1 67 . 8 1 1 A 12 12 GLY N N 12 102.671 116.706 -14.035 1
1 68 . 8 1 1 A 13 13 TYR H H 13 7.632 7.807 -0.175 1
1 69 . 8 1 1 A 13 13 TYR HA H 13 4.456 4.411 0.045 1
1 76 . 8 1 1 A 13 13 TYR N N 13 120.588 120.250 0.338 1
1 77 . 8 1 1 A 14 14 ARG H H 14 9.249 8.917 0.332 1
1 78 . 8 1 1 A 14 14 ARG HA H 14 4.109 4.558 -0.449 1
1 82 . 8 1 1 A 14 14 ARG N N 14 131.346 117.145 14.201 1
1 84 . 8 1 1 A 15 15 GLY H H 15 4.280 7.622 -3.342 1
1 87 . 8 1 1 A 15 15 GLY N N 15 104.876 111.435 -6.559 1
1 88 . 8 1 1 A 16 16 LYS H H 16 8.781 8.888 -0.107 1
1 89 . 8 1 1 A 16 16 LYS HA H 16 4.167 4.610 -0.443 1
1 95 . 8 1 1 A 16 16 LYS N N 16 116.399 115.530 0.869 1
1 96 . 8 1 1 A 17 17 ARG H H 17 7.493 9.276 -1.783 1
1 97 . 8 1 1 A 17 17 ARG HA H 17 4.360 3.865 0.495 1
1 104 . 8 1 1 A 17 17 ARG N N 17 121.452 118.177 3.275 1
1 106 . 8 1 1 A 18 18 VAL H H 18 8.298 7.630 0.668 1
1 107 . 8 1 1 A 18 18 VAL HA H 18 5.005 4.435 0.570 1
1 115 . 8 1 1 A 18 18 VAL N N 18 113.240 111.105 2.135 1
1 116 . 8 1 1 A 19 19 THR H H 19 7.209 8.262 -1.053 1
1 122 . 8 1 1 A 19 19 THR N N 19 111.368 111.836 -0.468 1
1 123 . 8 1 1 A 20 20 THR H H 20 8.518 7.670 0.848 1
1 124 . 8 1 1 A 20 20 THR HA H 20 4.605 4.355 0.250 1
1 129 . 8 1 1 A 20 20 THR N N 20 110.279 117.062 -6.783 1
1 131 . 8 1 1 A 21 21 VAL HA H 21 4.049 4.576 -0.527 1
1 139 . 8 1 1 A 21 21 VAL N N 21 116.629 142.020 -25.391 1
1 140 . 8 1 1 A 22 22 THR H H 22 7.376 8.318 -0.942 1
1 141 . 8 1 1 A 22 22 THR HA H 22 4.521 4.647 -0.126 1
1 145 . 8 1 1 A 22 22 THR N N 22 108.221 122.375 -14.154 1
1 146 . 8 1 1 A 23 23 GLY H H 23 8.345 9.127 -0.782 1
1 149 . 8 1 1 A 23 23 GLY N N 23 110.656 124.094 -13.438 1
1 150 . 8 1 1 A 24 24 THR H H 24 7.330 8.715 -1.385 1
1 151 . 8 1 1 A 24 24 THR HA H 24 4.419 4.868 -0.449 1
1 156 . 8 1 1 A 24 24 THR N N 24 119.053 123.257 -4.204 1
1 157 . 8 1 1 A 25 25 PRO HA H 25 4.601 4.674 -0.073 1
1 161 . 8 1 1 A 26 26 CYS H H 26 8.451 7.685 0.766 1
1 162 . 8 1 1 A 26 26 CYS HA H 26 4.715 4.324 0.391 1
1 165 . 8 1 1 A 26 26 CYS N N 26 123.739 120.650 3.089 1
1 166 . 8 1 1 A 27 27 GLN H H 27 9.557 8.381 1.176 1
1 167 . 8 1 1 A 27 27 GLN HA H 27 3.946 4.588 -0.642 1
1 174 . 8 1 1 A 27 27 GLN N N 27 126.620 120.439 6.181 1
1 176 . 8 1 1 A 28 28 ASP H H 28 8.849 8.680 0.169 1
1 177 . 8 1 1 A 28 28 ASP HA H 28 4.419 4.936 -0.517 1
1 180 . 8 1 1 A 28 28 ASP N N 28 126.815 119.910 6.905 1
1 181 . 8 1 1 A 29 29 TRP H H 29 7.982 7.838 0.144 1
1 182 . 8 1 1 A 29 29 TRP HA H 29 4.198 4.759 -0.561 1
1 191 . 8 1 1 A 29 29 TRP N N 29 123.876 118.149 5.727 1
1 194 . 8 1 1 A 30 30 ALA HA H 30 4.334 4.578 -0.244 1
1 198 . 8 1 1 A 30 30 ALA N N 30 114.831 137.894 -23.063 1
1 199 . 8 1 1 A 31 31 ALA H H 31 7.855 7.510 0.345 1
1 200 . 8 1 1 A 31 31 ALA HA H 31 4.604 4.972 -0.368 1
1 204 . 8 1 1 A 31 31 ALA N N 31 119.366 118.765 0.601 1
1 205 . 8 1 1 A 32 32 GLN H H 32 6.836 8.879 -2.043 1
1 206 . 8 1 1 A 32 32 GLN HA H 32 4.254 4.484 -0.230 1
1 213 . 8 1 1 A 32 32 GLN N N 32 115.145 125.230 -10.085 1
1 215 . 8 1 1 A 33 33 GLU H H 33 8.729 8.700 0.029 1
1 216 . 8 1 1 A 33 33 GLU HA H 33 4.464 5.184 -0.720 1
1 221 . 8 1 1 A 33 33 GLU N N 33 118.546 121.730 -3.184 1
1 222 . 8 1 1 A 34 34 PRO HA H 34 4.507 4.407 0.100 1
1 226 . 8 1 1 A 35 35 HIS H H 35 9.736 7.609 2.127 1
1 227 . 8 1 1 A 35 35 HIS HA H 35 4.861 4.436 0.425 1
1 230 . 8 1 1 A 35 35 HIS N N 35 117.871 116.587 1.284 1
1 231 . 8 1 1 A 36 36 ARG H H 36 9.255 7.965 1.290 1
1 232 . 8 1 1 A 36 36 ARG HA H 36 4.368 4.806 -0.438 1
1 234 . 8 1 1 A 36 36 ARG N N 36 119.886 119.126 0.760 1
1 235 . 8 1 1 A 37 37 HIS H H 37 8.487 8.146 0.341 1
1 236 . 8 1 1 A 37 37 HIS HA H 37 4.969 5.115 -0.146 1
1 242 . 8 1 1 A 37 37 HIS N N 37 118.654 110.022 8.632 1
1 245 . 8 1 1 A 38 38 SER HA H 38 4.516 4.356 0.160 1
1 248 . 8 1 1 A 38 38 SER N N 38 126.261 136.713 -10.452 1
1 249 . 8 1 1 A 39 39 ILE H H 39 8.191 8.355 -0.164 1
1 250 . 8 1 1 A 39 39 ILE HA H 39 5.197 4.156 1.041 1
1 259 . 8 1 1 A 39 39 ILE N N 39 106.468 117.626 -11.158 1
1 260 . 8 1 1 A 40 40 PHE H H 40 8.158 7.581 0.577 1
1 261 . 8 1 1 A 40 40 PHE HA H 40 4.099 4.379 -0.280 1
1 269 . 8 1 1 A 40 40 PHE N N 40 116.320 111.042 5.278 1
1 270 . 8 1 1 A 41 41 THR H H 41 7.254 8.246 -0.992 1
1 271 . 8 1 1 A 41 41 THR HA H 41 4.503 5.227 -0.724 1
1 273 . 8 1 1 A 41 41 THR N N 41 113.915 119.766 -5.851 1
1 274 . 8 1 1 A 42 42 PRO HA H 42 4.166 4.531 -0.365 1
1 280 . 8 1 1 A 43 43 GLU H H 43 7.824 8.217 -0.393 1
1 281 . 8 1 1 A 43 43 GLU HA H 43 4.161 4.535 -0.374 1
1 284 . 8 1 1 A 43 43 GLU N N 43 112.032 117.668 -5.636 1
1 285 . 8 1 1 A 44 44 THR H H 44 7.859 7.386 0.473 1
1 286 . 8 1 1 A 44 44 THR HA H 44 4.213 4.426 -0.213 1
1 287 . 8 1 1 A 44 44 THR N N 44 109.971 120.512 -10.541 1
1 288 . 8 1 1 A 45 45 ASN H H 45 7.828 8.033 -0.205 1
1 294 . 8 1 1 A 45 45 ASN N N 45 118.292 107.848 10.444 1
1 299 . 8 1 1 A 47 47 ARG H H 47 8.778 8.007 0.771 1
1 300 . 8 1 1 A 47 47 ARG HA H 47 4.594 4.845 -0.251 1
1 307 . 8 1 1 A 47 47 ARG N N 47 117.742 125.202 -7.460 1
1 309 . 8 1 1 A 48 48 ALA H H 48 7.139 8.884 -1.745 1
1 310 . 8 1 1 A 48 48 ALA HA H 48 4.439 3.900 0.539 1
1 314 . 8 1 1 A 48 48 ALA N N 48 119.525 119.613 -0.088 1
1 315 . 8 1 1 A 49 49 GLY H H 49 8.256 8.234 0.022 1
1 318 . 8 1 1 A 49 49 GLY N N 49 108.423 121.672 -13.249 1
1 319 . 8 1 1 A 50 50 LEU H H 50 9.144 7.128 2.016 1
1 320 . 8 1 1 A 50 50 LEU HA H 50 3.268 4.669 -1.401 1
1 330 . 8 1 1 A 50 50 LEU N N 50 121.605 121.346 0.259 1
1 331 . 8 1 1 A 51 51 GLU H H 51 7.651 9.242 -1.591 1
1 332 . 8 1 1 A 51 51 GLU HA H 51 4.504 4.924 -0.420 1
1 335 . 8 1 1 A 51 51 GLU N N 51 124.470 122.553 1.917 1
1 336 . 8 1 1 A 52 52 LYS H H 52 8.878 8.659 0.219 1
1 337 . 8 1 1 A 52 52 LYS HA H 52 3.618 5.000 -1.382 1
1 341 . 8 1 1 A 52 52 LYS N N 52 118.010 123.083 -5.073 1
1 342 . 8 1 1 A 53 53 ASN H H 53 7.874 8.423 -0.549 1
1 343 . 8 1 1 A 53 53 ASN HA H 53 4.574 5.289 -0.715 1
1 348 . 8 1 1 A 53 53 ASN N N 53 122.833 120.841 1.992 1
1 351 . 8 1 1 A 54 54 TYR HA H 54 4.992 4.414 0.578 1
1 358 . 8 1 1 A 54 54 TYR N N 54 112.865 138.647 -25.782 1
1 359 . 8 1 1 A 55 55 CYS H H 55 8.917 8.166 0.751 1
1 360 . 8 1 1 A 55 55 CYS HA H 55 4.488 4.875 -0.387 1
1 363 . 8 1 1 A 55 55 CYS N N 55 118.745 116.059 2.686 1
1 364 . 8 1 1 A 56 56 ARG H H 56 9.470 8.032 1.438 1
1 372 . 8 1 1 A 56 56 ARG N N 56 123.525 109.605 13.920 1
1 374 . 8 1 1 A 57 57 ASN H H 57 8.417 8.537 -0.120 1
1 375 . 8 1 1 A 57 57 ASN HA H 57 5.540 4.653 0.887 1
1 380 . 8 1 1 A 57 57 ASN N N 57 113.293 120.657 -7.364 1
1 382 . 8 1 1 A 58 58 PRO HA H 58 4.454 4.251 0.203 1
1 389 . 8 1 1 A 59 59 ASP H H 59 9.547 8.116 1.431 1
1 393 . 8 1 1 A 59 59 ASP N N 59 114.552 110.354 4.198 1
1 394 . 8 1 1 A 60 60 GLY H H 60 7.436 7.605 -0.169 1
1 395 . 8 1 1 A 60 60 GLY HA2 H 60 3.311 4.189 -0.878 1
1 396 . 8 1 1 A 60 60 GLY HA3 H 60 3.799 4.198 -0.399 1
1 397 . 8 1 1 A 60 60 GLY N N 60 109.636 106.871 2.765 1
1 399 . 8 1 1 A 61 61 ASP HA H 61 4.369 4.942 -0.573 1
1 401 . 8 1 1 A 61 61 ASP N N 61 123.255 133.115 -9.860 1
1 402 . 8 1 1 A 62 62 VAL H H 62 8.871 8.700 0.171 1
1 403 . 8 1 1 A 62 62 VAL HA H 62 3.997 5.279 -1.282 1
1 411 . 8 1 1 A 62 62 VAL N N 62 127.998 118.342 9.656 1
1 412 . 8 1 1 A 63 63 GLY H H 63 9.855 8.876 0.979 1
1 415 . 8 1 1 A 63 63 GLY N N 63 109.474 117.175 -7.701 1
1 416 . 8 1 1 A 64 64 GLY H H 64 7.718 8.128 -0.410 1
1 419 . 8 1 1 A 64 64 GLY N N 64 107.373 119.384 -12.011 1
1 420 . 8 1 1 A 65 65 PRO HA H 65 4.004 4.971 -0.967 1
1 423 . 8 1 1 A 66 66 TRP H H 66 8.894 8.715 0.179 1
1 424 . 8 1 1 A 66 66 TRP HA H 66 5.340 4.393 0.947 1
1 433 . 8 1 1 A 66 66 TRP N N 66 122.955 113.545 9.410 1
1 435 . 8 1 1 A 67 67 CYS H H 67 8.673 7.770 0.903 1
1 436 . 8 1 1 A 67 67 CYS HA H 67 4.427 5.097 -0.670 1
1 439 . 8 1 1 A 67 67 CYS N N 67 109.130 122.618 -13.488 1
1 441 . 8 1 1 A 68 68 TYR HA H 68 5.167 4.483 0.684 1
1 448 . 8 1 1 A 68 68 TYR N N 68 121.963 141.715 -19.752 1
1 449 . 8 1 1 A 69 69 THR H H 69 7.813 8.685 -0.872 1
1 450 . 8 1 1 A 69 69 THR HA H 69 5.255 4.247 1.008 1
1 456 . 8 1 1 A 69 69 THR N N 69 111.504 117.675 -6.171 1
1 457 . 8 1 1 A 70 70 THR H H 70 7.778 7.152 0.626 1
1 458 . 8 1 1 A 70 70 THR HA H 70 3.977 4.699 -0.722 1
1 463 . 8 1 1 A 70 70 THR N N 70 105.004 115.197 -10.193 1
1 464 . 8 1 1 A 71 71 ASN H H 71 8.714 8.711 0.003 1
1 465 . 8 1 1 A 71 71 ASN HA H 71 5.035 4.268 0.767 1
1 470 . 8 1 1 A 71 71 ASN N N 71 122.506 120.307 2.199 1
1 472 . 8 1 1 A 72 72 PRO HA H 72 3.766 5.171 -1.405 1
1 476 . 8 1 1 A 73 73 ARG H H 73 8.036 8.858 -0.822 1
1 477 . 8 1 1 A 73 73 ARG HA H 73 4.384 4.947 -0.563 1
1 482 . 8 1 1 A 73 73 ARG N N 73 113.053 119.460 -6.407 1
1 484 . 8 1 1 A 74 74 LYS H H 74 7.664 8.924 -1.260 1
1 485 . 8 1 1 A 74 74 LYS HA H 74 4.597 5.026 -0.429 1
1 489 . 8 1 1 A 74 74 LYS N N 74 121.711 117.495 4.216 1
1 490 . 8 1 1 A 75 75 LEU H H 75 8.805 9.364 -0.559 1
1 491 . 8 1 1 A 75 75 LEU HA H 75 2.354 5.274 -2.920 1
1 492 . 8 1 1 A 75 75 LEU N N 75 130.480 119.729 10.751 1
1 493 . 8 1 1 A 76 76 TYR H H 76 7.149 8.917 -1.768 1
1 494 . 8 1 1 A 76 76 TYR HA H 76 5.410 5.005 0.405 1
1 499 . 8 1 1 A 76 76 TYR N N 76 107.886 123.560 -15.674 1
1 500 . 8 1 1 A 77 77 ASP H H 77 8.557 8.572 -0.015 1
1 501 . 8 1 1 A 77 77 ASP HA H 77 4.095 4.729 -0.634 1
1 504 . 8 1 1 A 77 77 ASP N N 77 116.171 125.095 -8.924 1
1 506 . 8 1 1 A 78 78 TYR HA H 78 4.577 4.528 0.049 1
1 513 . 8 1 1 A 78 78 TYR N N 78 118.199 141.249 -23.050 1
1 514 . 8 1 1 A 79 79 CYS H H 79 8.718 8.461 0.257 1
1 515 . 8 1 1 A 79 79 CYS HA H 79 4.758 4.303 0.455 1
1 518 . 8 1 1 A 79 79 CYS N N 79 116.747 120.774 -4.027 1
1 519 . 8 1 1 A 80 80 ASP H H 80 9.093 9.723 -0.630 1
1 520 . 8 1 1 A 80 80 ASP HA H 80 4.568 4.209 0.359 1
1 523 . 8 1 1 A 80 80 ASP N N 80 122.193 125.777 -3.584 1
1 524 . 8 1 1 A 81 81 VAL H H 81 7.782 7.124 0.658 1
1 525 . 8 1 1 A 81 81 VAL HA H 81 4.102 4.479 -0.377 1
1 533 . 8 1 1 A 81 81 VAL N N 81 123.869 121.914 1.955 1
1 5 . 9 1 1 A 2 2 ASN H H 2 8.147 8.631 -0.484 1
1 6 . 9 1 1 A 2 2 ASN HA H 2 4.619 5.399 -0.780 1
1 10 . 9 1 1 A 2 2 ASN N N 2 117.923 120.451 -2.528 1
1 12 . 9 1 1 A 3 3 ALA H H 3 8.340 9.086 -0.746 1
1 13 . 9 1 1 A 3 3 ALA HA H 3 4.234 5.061 -0.827 1
1 17 . 9 1 1 A 3 3 ALA N N 3 124.095 120.100 3.995 1
1 18 . 9 1 1 A 4 4 ASP H H 4 8.408 9.576 -1.168 1
1 22 . 9 1 1 A 4 4 ASP N N 4 120.996 114.791 6.205 1
1 23 . 9 1 1 A 5 5 CYS H H 5 8.035 8.918 -0.883 1
1 24 . 9 1 1 A 5 5 CYS HA H 5 4.947 4.699 0.248 1
1 26 . 9 1 1 A 5 5 CYS N N 5 118.050 123.917 -5.867 1
1 27 . 9 1 1 A 6 6 MET H H 6 9.169 7.474 1.695 1
1 31 . 9 1 1 A 6 6 MET N N 6 117.506 107.715 9.791 1
1 32 . 9 1 1 A 7 7 PHE H H 7 9.290 8.610 0.680 1
1 33 . 9 1 1 A 7 7 PHE HA H 7 4.961 4.276 0.685 1
1 41 . 9 1 1 A 7 7 PHE N N 7 119.609 120.697 -1.088 1
1 42 . 9 1 1 A 8 8 GLY H H 8 9.314 8.066 1.248 1
1 43 . 9 1 1 A 8 8 GLY HA2 H 8 3.817 3.895 -0.078 1
1 44 . 9 1 1 A 8 8 GLY HA3 H 8 4.038 3.937 0.101 1
1 45 . 9 1 1 A 8 8 GLY N N 8 115.285 107.891 7.394 1
1 46 . 9 1 1 A 9 9 ASN H H 9 8.563 7.775 0.788 1
1 47 . 9 1 1 A 9 9 ASN HA H 9 4.788 4.745 0.043 1
1 52 . 9 1 1 A 9 9 ASN N N 9 121.190 121.880 -0.690 1
1 54 . 9 1 1 A 10 10 GLY H H 10 8.650 8.997 -0.347 1
1 57 . 9 1 1 A 10 10 GLY N N 10 104.975 128.317 -23.342 1
1 58 . 9 1 1 A 11 11 LYS H H 11 8.616 7.536 1.080 1
1 63 . 9 1 1 A 11 11 LYS N N 11 124.787 109.146 15.641 1
1 64 . 9 1 1 A 12 12 GLY H H 12 8.674 9.405 -0.731 1
1 67 . 9 1 1 A 12 12 GLY N N 12 102.671 116.828 -14.157 1
1 68 . 9 1 1 A 13 13 TYR H H 13 7.632 7.912 -0.280 1
1 69 . 9 1 1 A 13 13 TYR HA H 13 4.456 4.454 0.002 1
1 76 . 9 1 1 A 13 13 TYR N N 13 120.588 121.057 -0.469 1
1 77 . 9 1 1 A 14 14 ARG H H 14 9.249 8.911 0.338 1
1 78 . 9 1 1 A 14 14 ARG HA H 14 4.109 4.546 -0.437 1
1 82 . 9 1 1 A 14 14 ARG N N 14 131.346 117.234 14.112 1
1 84 . 9 1 1 A 15 15 GLY H H 15 4.280 7.518 -3.238 1
1 87 . 9 1 1 A 15 15 GLY N N 15 104.876 111.607 -6.731 1
1 88 . 9 1 1 A 16 16 LYS H H 16 8.781 8.932 -0.151 1
1 89 . 9 1 1 A 16 16 LYS HA H 16 4.167 4.820 -0.653 1
1 95 . 9 1 1 A 16 16 LYS N N 16 116.399 115.160 1.239 1
1 96 . 9 1 1 A 17 17 ARG H H 17 7.493 9.277 -1.784 1
1 97 . 9 1 1 A 17 17 ARG HA H 17 4.360 3.873 0.487 1
1 104 . 9 1 1 A 17 17 ARG N N 17 121.452 118.198 3.254 1
1 106 . 9 1 1 A 18 18 VAL H H 18 8.298 7.685 0.613 1
1 107 . 9 1 1 A 18 18 VAL HA H 18 5.005 4.438 0.567 1
1 115 . 9 1 1 A 18 18 VAL N N 18 113.240 111.115 2.125 1
1 116 . 9 1 1 A 19 19 THR H H 19 7.209 8.198 -0.989 1
1 122 . 9 1 1 A 19 19 THR N N 19 111.368 111.801 -0.433 1
1 123 . 9 1 1 A 20 20 THR H H 20 8.518 7.650 0.868 1
1 124 . 9 1 1 A 20 20 THR HA H 20 4.605 4.350 0.255 1
1 129 . 9 1 1 A 20 20 THR N N 20 110.279 117.065 -6.786 1
1 131 . 9 1 1 A 21 21 VAL HA H 21 4.049 4.724 -0.675 1
1 139 . 9 1 1 A 21 21 VAL N N 21 116.629 142.135 -25.506 1
1 140 . 9 1 1 A 22 22 THR H H 22 7.376 8.384 -1.008 1
1 141 . 9 1 1 A 22 22 THR HA H 22 4.521 4.623 -0.102 1
1 145 . 9 1 1 A 22 22 THR N N 22 108.221 122.199 -13.978 1
1 146 . 9 1 1 A 23 23 GLY H H 23 8.345 9.139 -0.794 1
1 149 . 9 1 1 A 23 23 GLY N N 23 110.656 124.026 -13.370 1
1 150 . 9 1 1 A 24 24 THR H H 24 7.330 8.718 -1.388 1
1 151 . 9 1 1 A 24 24 THR HA H 24 4.419 5.097 -0.678 1
1 156 . 9 1 1 A 24 24 THR N N 24 119.053 123.043 -3.990 1
1 157 . 9 1 1 A 25 25 PRO HA H 25 4.601 4.723 -0.122 1
1 161 . 9 1 1 A 26 26 CYS H H 26 8.451 7.725 0.726 1
1 162 . 9 1 1 A 26 26 CYS HA H 26 4.715 4.303 0.412 1
1 165 . 9 1 1 A 26 26 CYS N N 26 123.739 120.675 3.064 1
1 166 . 9 1 1 A 27 27 GLN H H 27 9.557 8.365 1.192 1
1 167 . 9 1 1 A 27 27 GLN HA H 27 3.946 4.590 -0.644 1
1 174 . 9 1 1 A 27 27 GLN N N 27 126.620 120.217 6.403 1
1 176 . 9 1 1 A 28 28 ASP H H 28 8.849 8.672 0.177 1
1 177 . 9 1 1 A 28 28 ASP HA H 28 4.419 4.876 -0.457 1
1 180 . 9 1 1 A 28 28 ASP N N 28 126.815 119.358 7.457 1
1 181 . 9 1 1 A 29 29 TRP H H 29 7.982 7.848 0.134 1
1 182 . 9 1 1 A 29 29 TRP HA H 29 4.198 4.745 -0.547 1
1 191 . 9 1 1 A 29 29 TRP N N 29 123.876 118.251 5.625 1
1 194 . 9 1 1 A 30 30 ALA HA H 30 4.334 4.543 -0.209 1
1 198 . 9 1 1 A 30 30 ALA N N 30 114.831 138.158 -23.327 1
1 199 . 9 1 1 A 31 31 ALA H H 31 7.855 7.569 0.286 1
1 200 . 9 1 1 A 31 31 ALA HA H 31 4.604 4.929 -0.325 1
1 204 . 9 1 1 A 31 31 ALA N N 31 119.366 119.440 -0.074 1
1 205 . 9 1 1 A 32 32 GLN H H 32 6.836 8.613 -1.777 1
1 206 . 9 1 1 A 32 32 GLN HA H 32 4.254 4.247 0.007 1
1 213 . 9 1 1 A 32 32 GLN N N 32 115.145 124.167 -9.022 1
1 215 . 9 1 1 A 33 33 GLU H H 33 8.729 8.704 0.025 1
1 216 . 9 1 1 A 33 33 GLU HA H 33 4.464 5.105 -0.641 1
1 221 . 9 1 1 A 33 33 GLU N N 33 118.546 117.411 1.135 1
1 222 . 9 1 1 A 34 34 PRO HA H 34 4.507 4.369 0.138 1
1 226 . 9 1 1 A 35 35 HIS H H 35 9.736 7.608 2.128 1
1 227 . 9 1 1 A 35 35 HIS HA H 35 4.861 4.448 0.413 1
1 230 . 9 1 1 A 35 35 HIS N N 35 117.871 116.576 1.295 1
1 231 . 9 1 1 A 36 36 ARG H H 36 9.255 8.208 1.047 1
1 232 . 9 1 1 A 36 36 ARG HA H 36 4.368 4.834 -0.466 1
1 234 . 9 1 1 A 36 36 ARG N N 36 119.886 119.071 0.815 1
1 235 . 9 1 1 A 37 37 HIS H H 37 8.487 8.116 0.371 1
1 236 . 9 1 1 A 37 37 HIS HA H 37 4.969 5.073 -0.104 1
1 242 . 9 1 1 A 37 37 HIS N N 37 118.654 110.052 8.602 1
1 245 . 9 1 1 A 38 38 SER HA H 38 4.516 4.434 0.082 1
1 248 . 9 1 1 A 38 38 SER N N 38 126.261 136.343 -10.082 1
1 249 . 9 1 1 A 39 39 ILE H H 39 8.191 8.496 -0.305 1
1 250 . 9 1 1 A 39 39 ILE HA H 39 5.197 4.240 0.957 1
1 259 . 9 1 1 A 39 39 ILE N N 39 106.468 117.116 -10.648 1
1 260 . 9 1 1 A 40 40 PHE H H 40 8.158 7.629 0.529 1
1 261 . 9 1 1 A 40 40 PHE HA H 40 4.099 4.334 -0.235 1
1 269 . 9 1 1 A 40 40 PHE N N 40 116.320 111.689 4.631 1
1 270 . 9 1 1 A 41 41 THR H H 41 7.254 8.081 -0.827 1
1 271 . 9 1 1 A 41 41 THR HA H 41 4.503 5.234 -0.731 1
1 273 . 9 1 1 A 41 41 THR N N 41 113.915 119.676 -5.761 1
1 274 . 9 1 1 A 42 42 PRO HA H 42 4.166 4.556 -0.390 1
1 280 . 9 1 1 A 43 43 GLU H H 43 7.824 8.317 -0.493 1
1 281 . 9 1 1 A 43 43 GLU HA H 43 4.161 4.594 -0.433 1
1 284 . 9 1 1 A 43 43 GLU N N 43 112.032 117.208 -5.176 1
1 285 . 9 1 1 A 44 44 THR H H 44 7.859 7.464 0.395 1
1 286 . 9 1 1 A 44 44 THR HA H 44 4.213 4.357 -0.144 1
1 287 . 9 1 1 A 44 44 THR N N 44 109.971 120.655 -10.684 1
1 288 . 9 1 1 A 45 45 ASN H H 45 7.828 7.913 -0.085 1
1 294 . 9 1 1 A 45 45 ASN N N 45 118.292 107.828 10.464 1
1 299 . 9 1 1 A 47 47 ARG H H 47 8.778 8.245 0.533 1
1 300 . 9 1 1 A 47 47 ARG HA H 47 4.594 4.898 -0.304 1
1 307 . 9 1 1 A 47 47 ARG N N 47 117.742 124.475 -6.733 1
1 309 . 9 1 1 A 48 48 ALA H H 48 7.139 8.943 -1.804 1
1 310 . 9 1 1 A 48 48 ALA HA H 48 4.439 3.964 0.475 1
1 314 . 9 1 1 A 48 48 ALA N N 48 119.525 120.034 -0.509 1
1 315 . 9 1 1 A 49 49 GLY H H 49 8.256 8.311 -0.055 1
1 318 . 9 1 1 A 49 49 GLY N N 49 108.423 122.196 -13.773 1
1 319 . 9 1 1 A 50 50 LEU H H 50 9.144 7.406 1.738 1
1 320 . 9 1 1 A 50 50 LEU HA H 50 3.268 4.859 -1.591 1
1 330 . 9 1 1 A 50 50 LEU N N 50 121.605 121.374 0.231 1
1 331 . 9 1 1 A 51 51 GLU H H 51 7.651 9.361 -1.710 1
1 332 . 9 1 1 A 51 51 GLU HA H 51 4.504 4.986 -0.482 1
1 335 . 9 1 1 A 51 51 GLU N N 51 124.470 122.900 1.570 1
1 336 . 9 1 1 A 52 52 LYS H H 52 8.878 8.683 0.195 1
1 337 . 9 1 1 A 52 52 LYS HA H 52 3.618 5.028 -1.410 1
1 341 . 9 1 1 A 52 52 LYS N N 52 118.010 122.951 -4.941 1
1 342 . 9 1 1 A 53 53 ASN H H 53 7.874 8.292 -0.418 1
1 343 . 9 1 1 A 53 53 ASN HA H 53 4.574 5.223 -0.649 1
1 348 . 9 1 1 A 53 53 ASN N N 53 122.833 120.381 2.452 1
1 351 . 9 1 1 A 54 54 TYR HA H 54 4.992 4.378 0.614 1
1 358 . 9 1 1 A 54 54 TYR N N 54 112.865 138.825 -25.960 1
1 359 . 9 1 1 A 55 55 CYS H H 55 8.917 8.180 0.737 1
1 360 . 9 1 1 A 55 55 CYS HA H 55 4.488 4.786 -0.298 1
1 363 . 9 1 1 A 55 55 CYS N N 55 118.745 115.333 3.412 1
1 364 . 9 1 1 A 56 56 ARG H H 56 9.470 7.910 1.560 1
1 372 . 9 1 1 A 56 56 ARG N N 56 123.525 109.101 14.424 1
1 374 . 9 1 1 A 57 57 ASN H H 57 8.417 8.513 -0.096 1
1 375 . 9 1 1 A 57 57 ASN HA H 57 5.540 4.630 0.910 1
1 380 . 9 1 1 A 57 57 ASN N N 57 113.293 120.668 -7.375 1
1 382 . 9 1 1 A 58 58 PRO HA H 58 4.454 3.821 0.633 1
1 389 . 9 1 1 A 59 59 ASP H H 59 9.547 8.290 1.257 1
1 393 . 9 1 1 A 59 59 ASP N N 59 114.552 109.382 5.170 1
1 394 . 9 1 1 A 60 60 GLY H H 60 7.436 7.577 -0.141 1
1 395 . 9 1 1 A 60 60 GLY HA2 H 60 3.311 4.179 -0.868 1
1 396 . 9 1 1 A 60 60 GLY HA3 H 60 3.799 4.181 -0.382 1
1 397 . 9 1 1 A 60 60 GLY N N 60 109.636 107.150 2.486 1
1 399 . 9 1 1 A 61 61 ASP HA H 61 4.369 4.910 -0.541 1
1 401 . 9 1 1 A 61 61 ASP N N 61 123.255 133.097 -9.842 1
1 402 . 9 1 1 A 62 62 VAL H H 62 8.871 8.639 0.232 1
1 403 . 9 1 1 A 62 62 VAL HA H 62 3.997 5.254 -1.257 1
1 411 . 9 1 1 A 62 62 VAL N N 62 127.998 118.459 9.539 1
1 412 . 9 1 1 A 63 63 GLY H H 63 9.855 8.979 0.876 1
1 415 . 9 1 1 A 63 63 GLY N N 63 109.474 116.840 -7.366 1
1 416 . 9 1 1 A 64 64 GLY H H 64 7.718 8.085 -0.367 1
1 419 . 9 1 1 A 64 64 GLY N N 64 107.373 118.995 -11.622 1
1 420 . 9 1 1 A 65 65 PRO HA H 65 4.004 4.997 -0.993 1
1 423 . 9 1 1 A 66 66 TRP H H 66 8.894 8.626 0.268 1
1 424 . 9 1 1 A 66 66 TRP HA H 66 5.340 4.480 0.860 1
1 433 . 9 1 1 A 66 66 TRP N N 66 122.955 113.547 9.408 1
1 435 . 9 1 1 A 67 67 CYS H H 67 8.673 7.779 0.894 1
1 436 . 9 1 1 A 67 67 CYS HA H 67 4.427 5.095 -0.668 1
1 439 . 9 1 1 A 67 67 CYS N N 67 109.130 122.545 -13.415 1
1 441 . 9 1 1 A 68 68 TYR HA H 68 5.167 4.528 0.639 1
1 448 . 9 1 1 A 68 68 TYR N N 68 121.963 141.412 -19.449 1
1 449 . 9 1 1 A 69 69 THR H H 69 7.813 8.588 -0.775 1
1 450 . 9 1 1 A 69 69 THR HA H 69 5.255 4.215 1.040 1
1 456 . 9 1 1 A 69 69 THR N N 69 111.504 117.780 -6.276 1
1 457 . 9 1 1 A 70 70 THR H H 70 7.778 7.009 0.769 1
1 458 . 9 1 1 A 70 70 THR HA H 70 3.977 4.767 -0.790 1
1 463 . 9 1 1 A 70 70 THR N N 70 105.004 115.254 -10.250 1
1 464 . 9 1 1 A 71 71 ASN H H 71 8.714 8.622 0.092 1
1 465 . 9 1 1 A 71 71 ASN HA H 71 5.035 4.411 0.624 1
1 470 . 9 1 1 A 71 71 ASN N N 71 122.506 120.413 2.093 1
1 472 . 9 1 1 A 72 72 PRO HA H 72 3.766 5.156 -1.390 1
1 476 . 9 1 1 A 73 73 ARG H H 73 8.036 8.721 -0.685 1
1 477 . 9 1 1 A 73 73 ARG HA H 73 4.384 5.061 -0.677 1
1 482 . 9 1 1 A 73 73 ARG N N 73 113.053 120.067 -7.014 1
1 484 . 9 1 1 A 74 74 LYS H H 74 7.664 8.897 -1.233 1
1 485 . 9 1 1 A 74 74 LYS HA H 74 4.597 5.030 -0.433 1
1 489 . 9 1 1 A 74 74 LYS N N 74 121.711 119.107 2.604 1
1 490 . 9 1 1 A 75 75 LEU H H 75 8.805 9.440 -0.635 1
1 491 . 9 1 1 A 75 75 LEU HA H 75 2.354 5.365 -3.011 1
1 492 . 9 1 1 A 75 75 LEU N N 75 130.480 120.490 9.990 1
1 493 . 9 1 1 A 76 76 TYR H H 76 7.149 8.923 -1.774 1
1 494 . 9 1 1 A 76 76 TYR HA H 76 5.410 5.035 0.375 1
1 499 . 9 1 1 A 76 76 TYR N N 76 107.886 123.673 -15.787 1
1 500 . 9 1 1 A 77 77 ASP H H 77 8.557 8.565 -0.008 1
1 501 . 9 1 1 A 77 77 ASP HA H 77 4.095 4.692 -0.597 1
1 504 . 9 1 1 A 77 77 ASP N N 77 116.171 125.352 -9.181 1
1 506 . 9 1 1 A 78 78 TYR HA H 78 4.577 4.488 0.089 1
1 513 . 9 1 1 A 78 78 TYR N N 78 118.199 141.068 -22.869 1
1 514 . 9 1 1 A 79 79 CYS H H 79 8.718 8.475 0.243 1
1 515 . 9 1 1 A 79 79 CYS HA H 79 4.758 4.308 0.450 1
1 518 . 9 1 1 A 79 79 CYS N N 79 116.747 120.825 -4.078 1
1 519 . 9 1 1 A 80 80 ASP H H 80 9.093 9.629 -0.536 1
1 520 . 9 1 1 A 80 80 ASP HA H 80 4.568 4.202 0.366 1
1 523 . 9 1 1 A 80 80 ASP N N 80 122.193 126.001 -3.808 1
1 524 . 9 1 1 A 81 81 VAL H H 81 7.782 6.954 0.828 1
1 525 . 9 1 1 A 81 81 VAL HA H 81 4.102 4.296 -0.194 1
1 533 . 9 1 1 A 81 81 VAL N N 81 123.869 121.535 2.334 1
1 5 . 10 1 1 A 2 2 ASN H H 2 8.147 8.852 -0.705 1
1 6 . 10 1 1 A 2 2 ASN HA H 2 4.619 5.460 -0.841 1
1 10 . 10 1 1 A 2 2 ASN N N 2 117.923 120.165 -2.242 1
1 12 . 10 1 1 A 3 3 ALA H H 3 8.340 9.132 -0.792 1
1 13 . 10 1 1 A 3 3 ALA HA H 3 4.234 5.099 -0.865 1
1 17 . 10 1 1 A 3 3 ALA N N 3 124.095 119.869 4.226 1
1 18 . 10 1 1 A 4 4 ASP H H 4 8.408 9.626 -1.218 1
1 22 . 10 1 1 A 4 4 ASP N N 4 120.996 114.862 6.134 1
1 23 . 10 1 1 A 5 5 CYS H H 5 8.035 8.838 -0.803 1
1 24 . 10 1 1 A 5 5 CYS HA H 5 4.947 4.741 0.206 1
1 26 . 10 1 1 A 5 5 CYS N N 5 118.050 125.083 -7.033 1
1 27 . 10 1 1 A 6 6 MET H H 6 9.169 7.521 1.648 1
1 31 . 10 1 1 A 6 6 MET N N 6 117.506 106.743 10.763 1
1 32 . 10 1 1 A 7 7 PHE H H 7 9.290 8.483 0.807 1
1 33 . 10 1 1 A 7 7 PHE HA H 7 4.961 4.210 0.751 1
1 41 . 10 1 1 A 7 7 PHE N N 7 119.609 120.546 -0.937 1
1 42 . 10 1 1 A 8 8 GLY H H 8 9.314 8.033 1.281 1
1 43 . 10 1 1 A 8 8 GLY HA2 H 8 3.817 3.853 -0.036 1
1 44 . 10 1 1 A 8 8 GLY HA3 H 8 4.038 3.908 0.130 1
1 45 . 10 1 1 A 8 8 GLY N N 8 115.285 107.592 7.693 1
1 46 . 10 1 1 A 9 9 ASN H H 9 8.563 7.862 0.701 1
1 47 . 10 1 1 A 9 9 ASN HA H 9 4.788 4.719 0.069 1
1 52 . 10 1 1 A 9 9 ASN N N 9 121.190 121.585 -0.395 1
1 54 . 10 1 1 A 10 10 GLY H H 10 8.650 8.943 -0.293 1
1 57 . 10 1 1 A 10 10 GLY N N 10 104.975 128.296 -23.321 1
1 58 . 10 1 1 A 11 11 LYS H H 11 8.616 7.483 1.133 1
1 63 . 10 1 1 A 11 11 LYS N N 11 124.787 108.237 16.550 1
1 64 . 10 1 1 A 12 12 GLY H H 12 8.674 9.221 -0.547 1
1 67 . 10 1 1 A 12 12 GLY N N 12 102.671 116.171 -13.500 1
1 68 . 10 1 1 A 13 13 TYR H H 13 7.632 7.791 -0.159 1
1 69 . 10 1 1 A 13 13 TYR HA H 13 4.456 4.477 -0.021 1
1 76 . 10 1 1 A 13 13 TYR N N 13 120.588 120.658 -0.070 1
1 77 . 10 1 1 A 14 14 ARG H H 14 9.249 8.945 0.304 1
1 78 . 10 1 1 A 14 14 ARG HA H 14 4.109 4.563 -0.454 1
1 82 . 10 1 1 A 14 14 ARG N N 14 131.346 117.329 14.017 1
1 84 . 10 1 1 A 15 15 GLY H H 15 4.280 7.645 -3.365 1
1 87 . 10 1 1 A 15 15 GLY N N 15 104.876 115.385 -10.509 1
1 88 . 10 1 1 A 16 16 LYS H H 16 8.781 8.800 -0.019 1
1 89 . 10 1 1 A 16 16 LYS HA H 16 4.167 4.653 -0.486 1
1 95 . 10 1 1 A 16 16 LYS N N 16 116.399 116.004 0.395 1
1 96 . 10 1 1 A 17 17 ARG H H 17 7.493 9.277 -1.784 1
1 97 . 10 1 1 A 17 17 ARG HA H 17 4.360 3.898 0.462 1
1 104 . 10 1 1 A 17 17 ARG N N 17 121.452 118.092 3.360 1
1 106 . 10 1 1 A 18 18 VAL H H 18 8.298 7.679 0.619 1
1 107 . 10 1 1 A 18 18 VAL HA H 18 5.005 4.450 0.555 1
1 115 . 10 1 1 A 18 18 VAL N N 18 113.240 111.156 2.084 1
1 116 . 10 1 1 A 19 19 THR H H 19 7.209 7.993 -0.784 1
1 122 . 10 1 1 A 19 19 THR N N 19 111.368 112.022 -0.654 1
1 123 . 10 1 1 A 20 20 THR H H 20 8.518 7.767 0.751 1
1 124 . 10 1 1 A 20 20 THR HA H 20 4.605 4.351 0.254 1
1 129 . 10 1 1 A 20 20 THR N N 20 110.279 116.994 -6.715 1
1 131 . 10 1 1 A 21 21 VAL HA H 21 4.049 4.727 -0.678 1
1 139 . 10 1 1 A 21 21 VAL N N 21 116.629 141.971 -25.342 1
1 140 . 10 1 1 A 22 22 THR H H 22 7.376 8.274 -0.898 1
1 141 . 10 1 1 A 22 22 THR HA H 22 4.521 4.806 -0.285 1
1 145 . 10 1 1 A 22 22 THR N N 22 108.221 121.946 -13.725 1
1 146 . 10 1 1 A 23 23 GLY H H 23 8.345 9.116 -0.771 1
1 149 . 10 1 1 A 23 23 GLY N N 23 110.656 123.888 -13.232 1
1 150 . 10 1 1 A 24 24 THR H H 24 7.330 8.346 -1.016 1
1 151 . 10 1 1 A 24 24 THR HA H 24 4.419 5.084 -0.665 1
1 156 . 10 1 1 A 24 24 THR N N 24 119.053 123.136 -4.083 1
1 157 . 10 1 1 A 25 25 PRO HA H 25 4.601 4.690 -0.089 1
1 161 . 10 1 1 A 26 26 CYS H H 26 8.451 7.719 0.732 1
1 162 . 10 1 1 A 26 26 CYS HA H 26 4.715 4.270 0.445 1
1 165 . 10 1 1 A 26 26 CYS N N 26 123.739 120.858 2.881 1
1 166 . 10 1 1 A 27 27 GLN H H 27 9.557 8.014 1.543 1
1 167 . 10 1 1 A 27 27 GLN HA H 27 3.946 4.385 -0.439 1
1 174 . 10 1 1 A 27 27 GLN N N 27 126.620 120.509 6.111 1
1 176 . 10 1 1 A 28 28 ASP H H 28 8.849 8.816 0.033 1
1 177 . 10 1 1 A 28 28 ASP HA H 28 4.419 4.860 -0.441 1
1 180 . 10 1 1 A 28 28 ASP N N 28 126.815 119.752 7.063 1
1 181 . 10 1 1 A 29 29 TRP H H 29 7.982 7.827 0.155 1
1 182 . 10 1 1 A 29 29 TRP HA H 29 4.198 4.752 -0.554 1
1 191 . 10 1 1 A 29 29 TRP N N 29 123.876 118.266 5.610 1
1 194 . 10 1 1 A 30 30 ALA HA H 30 4.334 4.513 -0.179 1
1 198 . 10 1 1 A 30 30 ALA N N 30 114.831 137.916 -23.085 1
1 199 . 10 1 1 A 31 31 ALA H H 31 7.855 7.555 0.300 1
1 200 . 10 1 1 A 31 31 ALA HA H 31 4.604 4.944 -0.340 1
1 204 . 10 1 1 A 31 31 ALA N N 31 119.366 119.463 -0.097 1
1 205 . 10 1 1 A 32 32 GLN H H 32 6.836 8.610 -1.774 1
1 206 . 10 1 1 A 32 32 GLN HA H 32 4.254 4.288 -0.034 1
1 213 . 10 1 1 A 32 32 GLN N N 32 115.145 123.414 -8.269 1
1 215 . 10 1 1 A 33 33 GLU H H 33 8.729 8.803 -0.074 1
1 216 . 10 1 1 A 33 33 GLU HA H 33 4.464 5.165 -0.701 1
1 221 . 10 1 1 A 33 33 GLU N N 33 118.546 118.114 0.432 1
1 222 . 10 1 1 A 34 34 PRO HA H 34 4.507 4.407 0.100 1
1 226 . 10 1 1 A 35 35 HIS H H 35 9.736 7.410 2.326 1
1 227 . 10 1 1 A 35 35 HIS HA H 35 4.861 4.464 0.397 1
1 230 . 10 1 1 A 35 35 HIS N N 35 117.871 116.593 1.278 1
1 231 . 10 1 1 A 36 36 ARG H H 36 9.255 8.242 1.013 1
1 232 . 10 1 1 A 36 36 ARG HA H 36 4.368 4.873 -0.505 1
1 234 . 10 1 1 A 36 36 ARG N N 36 119.886 119.072 0.814 1
1 235 . 10 1 1 A 37 37 HIS H H 37 8.487 8.065 0.422 1
1 236 . 10 1 1 A 37 37 HIS HA H 37 4.969 5.055 -0.086 1
1 242 . 10 1 1 A 37 37 HIS N N 37 118.654 110.064 8.590 1
1 245 . 10 1 1 A 38 38 SER HA H 38 4.516 4.434 0.082 1
1 248 . 10 1 1 A 38 38 SER N N 38 126.261 136.732 -10.471 1
1 249 . 10 1 1 A 39 39 ILE H H 39 8.191 8.403 -0.212 1
1 250 . 10 1 1 A 39 39 ILE HA H 39 5.197 4.197 1.000 1
1 259 . 10 1 1 A 39 39 ILE N N 39 106.468 117.289 -10.821 1
1 260 . 10 1 1 A 40 40 PHE H H 40 8.158 7.629 0.529 1
1 261 . 10 1 1 A 40 40 PHE HA H 40 4.099 4.331 -0.232 1
1 269 . 10 1 1 A 40 40 PHE N N 40 116.320 110.410 5.910 1
1 270 . 10 1 1 A 41 41 THR H H 41 7.254 7.698 -0.444 1
1 271 . 10 1 1 A 41 41 THR HA H 41 4.503 5.215 -0.712 1
1 273 . 10 1 1 A 41 41 THR N N 41 113.915 119.900 -5.985 1
1 274 . 10 1 1 A 42 42 PRO HA H 42 4.166 4.480 -0.314 1
1 280 . 10 1 1 A 43 43 GLU H H 43 7.824 8.511 -0.687 1
1 281 . 10 1 1 A 43 43 GLU HA H 43 4.161 4.193 -0.032 1
1 284 . 10 1 1 A 43 43 GLU N N 43 112.032 117.057 -5.025 1
1 285 . 10 1 1 A 44 44 THR H H 44 7.859 7.349 0.510 1
1 286 . 10 1 1 A 44 44 THR HA H 44 4.213 4.348 -0.135 1
1 287 . 10 1 1 A 44 44 THR N N 44 109.971 120.723 -10.752 1
1 288 . 10 1 1 A 45 45 ASN H H 45 7.828 7.953 -0.125 1
1 294 . 10 1 1 A 45 45 ASN N N 45 118.292 108.095 10.197 1
1 299 . 10 1 1 A 47 47 ARG H H 47 8.778 7.724 1.054 1
1 300 . 10 1 1 A 47 47 ARG HA H 47 4.594 4.897 -0.303 1
1 307 . 10 1 1 A 47 47 ARG N N 47 117.742 125.151 -7.409 1
1 309 . 10 1 1 A 48 48 ALA H H 48 7.139 8.972 -1.833 1
1 310 . 10 1 1 A 48 48 ALA HA H 48 4.439 3.949 0.490 1
1 314 . 10 1 1 A 48 48 ALA N N 48 119.525 119.906 -0.381 1
1 315 . 10 1 1 A 49 49 GLY H H 49 8.256 8.237 0.019 1
1 318 . 10 1 1 A 49 49 GLY N N 49 108.423 122.120 -13.697 1
1 319 . 10 1 1 A 50 50 LEU H H 50 9.144 7.388 1.756 1
1 320 . 10 1 1 A 50 50 LEU HA H 50 3.268 4.682 -1.414 1
1 330 . 10 1 1 A 50 50 LEU N N 50 121.605 121.366 0.239 1
1 331 . 10 1 1 A 51 51 GLU H H 51 7.651 9.456 -1.805 1
1 332 . 10 1 1 A 51 51 GLU HA H 51 4.504 4.935 -0.431 1
1 335 . 10 1 1 A 51 51 GLU N N 51 124.470 122.843 1.627 1
1 336 . 10 1 1 A 52 52 LYS H H 52 8.878 8.699 0.179 1
1 337 . 10 1 1 A 52 52 LYS HA H 52 3.618 4.960 -1.342 1
1 341 . 10 1 1 A 52 52 LYS N N 52 118.010 121.991 -3.981 1
1 342 . 10 1 1 A 53 53 ASN H H 53 7.874 8.352 -0.478 1
1 343 . 10 1 1 A 53 53 ASN HA H 53 4.574 5.277 -0.703 1
1 348 . 10 1 1 A 53 53 ASN N N 53 122.833 120.084 2.749 1
1 351 . 10 1 1 A 54 54 TYR HA H 54 4.992 4.474 0.518 1
1 358 . 10 1 1 A 54 54 TYR N N 54 112.865 139.052 -26.187 1
1 359 . 10 1 1 A 55 55 CYS H H 55 8.917 8.118 0.799 1
1 360 . 10 1 1 A 55 55 CYS HA H 55 4.488 4.870 -0.382 1
1 363 . 10 1 1 A 55 55 CYS N N 55 118.745 115.849 2.896 1
1 364 . 10 1 1 A 56 56 ARG H H 56 9.470 7.937 1.533 1
1 372 . 10 1 1 A 56 56 ARG N N 56 123.525 108.372 15.153 1
1 374 . 10 1 1 A 57 57 ASN H H 57 8.417 8.212 0.205 1
1 375 . 10 1 1 A 57 57 ASN HA H 57 5.540 4.632 0.908 1
1 380 . 10 1 1 A 57 57 ASN N N 57 113.293 120.786 -7.493 1
1 382 . 10 1 1 A 58 58 PRO HA H 58 4.454 4.420 0.034 1
1 389 . 10 1 1 A 59 59 ASP H H 59 9.547 8.039 1.508 1
1 393 . 10 1 1 A 59 59 ASP N N 59 114.552 110.113 4.439 1
1 394 . 10 1 1 A 60 60 GLY H H 60 7.436 7.421 0.015 1
1 395 . 10 1 1 A 60 60 GLY HA2 H 60 3.311 4.179 -0.868 1
1 396 . 10 1 1 A 60 60 GLY HA3 H 60 3.799 4.188 -0.389 1
1 397 . 10 1 1 A 60 60 GLY N N 60 109.636 106.689 2.947 1
1 399 . 10 1 1 A 61 61 ASP HA H 61 4.369 4.966 -0.597 1
1 401 . 10 1 1 A 61 61 ASP N N 61 123.255 133.109 -9.854 1
1 402 . 10 1 1 A 62 62 VAL H H 62 8.871 9.097 -0.226 1
1 403 . 10 1 1 A 62 62 VAL HA H 62 3.997 5.318 -1.321 1
1 411 . 10 1 1 A 62 62 VAL N N 62 127.998 118.685 9.313 1
1 412 . 10 1 1 A 63 63 GLY H H 63 9.855 8.938 0.917 1
1 415 . 10 1 1 A 63 63 GLY N N 63 109.474 116.796 -7.322 1
1 416 . 10 1 1 A 64 64 GLY H H 64 7.718 8.110 -0.392 1
1 419 . 10 1 1 A 64 64 GLY N N 64 107.373 119.047 -11.674 1
1 420 . 10 1 1 A 65 65 PRO HA H 65 4.004 4.884 -0.880 1
1 423 . 10 1 1 A 66 66 TRP H H 66 8.894 8.727 0.167 1
1 424 . 10 1 1 A 66 66 TRP HA H 66 5.340 4.387 0.953 1
1 433 . 10 1 1 A 66 66 TRP N N 66 122.955 114.343 8.612 1
1 435 . 10 1 1 A 67 67 CYS H H 67 8.673 7.653 1.020 1
1 436 . 10 1 1 A 67 67 CYS HA H 67 4.427 5.135 -0.708 1
1 439 . 10 1 1 A 67 67 CYS N N 67 109.130 122.421 -13.291 1
1 441 . 10 1 1 A 68 68 TYR HA H 68 5.167 4.473 0.694 1
1 448 . 10 1 1 A 68 68 TYR N N 68 121.963 141.906 -19.943 1
1 449 . 10 1 1 A 69 69 THR H H 69 7.813 8.576 -0.763 1
1 450 . 10 1 1 A 69 69 THR HA H 69 5.255 4.214 1.041 1
1 456 . 10 1 1 A 69 69 THR N N 69 111.504 117.821 -6.317 1
1 457 . 10 1 1 A 70 70 THR H H 70 7.778 7.161 0.617 1
1 458 . 10 1 1 A 70 70 THR HA H 70 3.977 4.769 -0.792 1
1 463 . 10 1 1 A 70 70 THR N N 70 105.004 115.427 -10.423 1
1 464 . 10 1 1 A 71 71 ASN H H 71 8.714 8.611 0.103 1
1 465 . 10 1 1 A 71 71 ASN HA H 71 5.035 4.397 0.638 1
1 470 . 10 1 1 A 71 71 ASN N N 71 122.506 120.365 2.141 1
1 472 . 10 1 1 A 72 72 PRO HA H 72 3.766 5.192 -1.426 1
1 476 . 10 1 1 A 73 73 ARG H H 73 8.036 8.664 -0.628 1
1 477 . 10 1 1 A 73 73 ARG HA H 73 4.384 5.136 -0.752 1
1 482 . 10 1 1 A 73 73 ARG N N 73 113.053 119.954 -6.901 1
1 484 . 10 1 1 A 74 74 LYS H H 74 7.664 8.934 -1.270 1
1 485 . 10 1 1 A 74 74 LYS HA H 74 4.597 5.034 -0.437 1
1 489 . 10 1 1 A 74 74 LYS N N 74 121.711 119.345 2.366 1
1 490 . 10 1 1 A 75 75 LEU H H 75 8.805 9.489 -0.684 1
1 491 . 10 1 1 A 75 75 LEU HA H 75 2.354 5.288 -2.934 1
1 492 . 10 1 1 A 75 75 LEU N N 75 130.480 120.566 9.914 1
1 493 . 10 1 1 A 76 76 TYR H H 76 7.149 8.965 -1.816 1
1 494 . 10 1 1 A 76 76 TYR HA H 76 5.410 4.987 0.423 1
1 499 . 10 1 1 A 76 76 TYR N N 76 107.886 123.394 -15.508 1
1 500 . 10 1 1 A 77 77 ASP H H 77 8.557 8.422 0.135 1
1 501 . 10 1 1 A 77 77 ASP HA H 77 4.095 4.661 -0.566 1
1 504 . 10 1 1 A 77 77 ASP N N 77 116.171 124.263 -8.092 1
1 506 . 10 1 1 A 78 78 TYR HA H 78 4.577 4.529 0.048 1
1 513 . 10 1 1 A 78 78 TYR N N 78 118.199 141.376 -23.177 1
1 514 . 10 1 1 A 79 79 CYS H H 79 8.718 8.472 0.246 1
1 515 . 10 1 1 A 79 79 CYS HA H 79 4.758 4.256 0.502 1
1 518 . 10 1 1 A 79 79 CYS N N 79 116.747 120.880 -4.133 1
1 519 . 10 1 1 A 80 80 ASP H H 80 9.093 9.446 -0.353 1
1 520 . 10 1 1 A 80 80 ASP HA H 80 4.568 4.236 0.332 1
1 523 . 10 1 1 A 80 80 ASP N N 80 122.193 125.992 -3.799 1
1 524 . 10 1 1 A 81 81 VAL H H 81 7.782 7.044 0.738 1
1 525 . 10 1 1 A 81 81 VAL HA H 81 4.102 4.344 -0.242 1
1 533 . 10 1 1 A 81 81 VAL N N 81 123.869 121.175 2.694 1
1 5 . 11 1 1 A 2 2 ASN H H 2 8.147 8.619 -0.472 1
1 6 . 11 1 1 A 2 2 ASN HA H 2 4.619 5.345 -0.726 1
1 10 . 11 1 1 A 2 2 ASN N N 2 117.923 120.598 -2.675 1
1 12 . 11 1 1 A 3 3 ALA H H 3 8.340 9.096 -0.756 1
1 13 . 11 1 1 A 3 3 ALA HA H 3 4.234 5.149 -0.915 1
1 17 . 11 1 1 A 3 3 ALA N N 3 124.095 120.480 3.615 1
1 18 . 11 1 1 A 4 4 ASP H H 4 8.408 9.629 -1.221 1
1 22 . 11 1 1 A 4 4 ASP N N 4 120.996 114.715 6.281 1
1 23 . 11 1 1 A 5 5 CYS H H 5 8.035 8.811 -0.776 1
1 24 . 11 1 1 A 5 5 CYS HA H 5 4.947 4.797 0.150 1
1 26 . 11 1 1 A 5 5 CYS N N 5 118.050 124.998 -6.948 1
1 27 . 11 1 1 A 6 6 MET H H 6 9.169 7.642 1.527 1
1 31 . 11 1 1 A 6 6 MET N N 6 117.506 107.255 10.251 1
1 32 . 11 1 1 A 7 7 PHE H H 7 9.290 8.536 0.754 1
1 33 . 11 1 1 A 7 7 PHE HA H 7 4.961 4.253 0.708 1
1 41 . 11 1 1 A 7 7 PHE N N 7 119.609 120.393 -0.784 1
1 42 . 11 1 1 A 8 8 GLY H H 8 9.314 8.101 1.213 1
1 43 . 11 1 1 A 8 8 GLY HA2 H 8 3.817 3.950 -0.133 1
1 44 . 11 1 1 A 8 8 GLY HA3 H 8 4.038 3.978 0.060 1
1 45 . 11 1 1 A 8 8 GLY N N 8 115.285 107.787 7.498 1
1 46 . 11 1 1 A 9 9 ASN H H 9 8.563 7.730 0.833 1
1 47 . 11 1 1 A 9 9 ASN HA H 9 4.788 4.707 0.081 1
1 52 . 11 1 1 A 9 9 ASN N N 9 121.190 121.788 -0.598 1
1 54 . 11 1 1 A 10 10 GLY H H 10 8.650 8.924 -0.274 1
1 57 . 11 1 1 A 10 10 GLY N N 10 104.975 128.522 -23.547 1
1 58 . 11 1 1 A 11 11 LYS H H 11 8.616 7.481 1.135 1
1 63 . 11 1 1 A 11 11 LYS N N 11 124.787 108.431 16.356 1
1 64 . 11 1 1 A 12 12 GLY H H 12 8.674 9.166 -0.492 1
1 67 . 11 1 1 A 12 12 GLY N N 12 102.671 116.320 -13.649 1
1 68 . 11 1 1 A 13 13 TYR H H 13 7.632 7.744 -0.112 1
1 69 . 11 1 1 A 13 13 TYR HA H 13 4.456 4.482 -0.026 1
1 76 . 11 1 1 A 13 13 TYR N N 13 120.588 120.427 0.161 1
1 77 . 11 1 1 A 14 14 ARG H H 14 9.249 8.895 0.354 1
1 78 . 11 1 1 A 14 14 ARG HA H 14 4.109 4.543 -0.434 1
1 82 . 11 1 1 A 14 14 ARG N N 14 131.346 117.360 13.986 1
1 84 . 11 1 1 A 15 15 GLY H H 15 4.280 7.639 -3.359 1
1 87 . 11 1 1 A 15 15 GLY N N 15 104.876 111.457 -6.581 1
1 88 . 11 1 1 A 16 16 LYS H H 16 8.781 8.919 -0.138 1
1 89 . 11 1 1 A 16 16 LYS HA H 16 4.167 4.612 -0.445 1
1 95 . 11 1 1 A 16 16 LYS N N 16 116.399 114.340 2.059 1
1 96 . 11 1 1 A 17 17 ARG H H 17 7.493 9.021 -1.528 1
1 97 . 11 1 1 A 17 17 ARG HA H 17 4.360 3.889 0.471 1
1 104 . 11 1 1 A 17 17 ARG N N 17 121.452 118.058 3.394 1
1 106 . 11 1 1 A 18 18 VAL H H 18 8.298 7.652 0.646 1
1 107 . 11 1 1 A 18 18 VAL HA H 18 5.005 4.454 0.551 1
1 115 . 11 1 1 A 18 18 VAL N N 18 113.240 111.118 2.122 1
1 116 . 11 1 1 A 19 19 THR H H 19 7.209 7.969 -0.760 1
1 122 . 11 1 1 A 19 19 THR N N 19 111.368 111.800 -0.432 1
1 123 . 11 1 1 A 20 20 THR H H 20 8.518 7.661 0.857 1
1 124 . 11 1 1 A 20 20 THR HA H 20 4.605 4.343 0.262 1
1 129 . 11 1 1 A 20 20 THR N N 20 110.279 116.848 -6.569 1
1 131 . 11 1 1 A 21 21 VAL HA H 21 4.049 4.564 -0.515 1
1 139 . 11 1 1 A 21 21 VAL N N 21 116.629 141.926 -25.297 1
1 140 . 11 1 1 A 22 22 THR H H 22 7.376 8.208 -0.832 1
1 141 . 11 1 1 A 22 22 THR HA H 22 4.521 4.605 -0.084 1
1 145 . 11 1 1 A 22 22 THR N N 22 108.221 122.381 -14.160 1
1 146 . 11 1 1 A 23 23 GLY H H 23 8.345 9.058 -0.713 1
1 149 . 11 1 1 A 23 23 GLY N N 23 110.656 124.601 -13.945 1
1 150 . 11 1 1 A 24 24 THR H H 24 7.330 8.691 -1.361 1
1 151 . 11 1 1 A 24 24 THR HA H 24 4.419 4.890 -0.471 1
1 156 . 11 1 1 A 24 24 THR N N 24 119.053 122.903 -3.850 1
1 157 . 11 1 1 A 25 25 PRO HA H 25 4.601 4.686 -0.085 1
1 161 . 11 1 1 A 26 26 CYS H H 26 8.451 7.721 0.730 1
1 162 . 11 1 1 A 26 26 CYS HA H 26 4.715 4.299 0.416 1
1 165 . 11 1 1 A 26 26 CYS N N 26 123.739 120.987 2.752 1
1 166 . 11 1 1 A 27 27 GLN H H 27 9.557 8.388 1.169 1
1 167 . 11 1 1 A 27 27 GLN HA H 27 3.946 4.509 -0.563 1
1 174 . 11 1 1 A 27 27 GLN N N 27 126.620 120.050 6.570 1
1 176 . 11 1 1 A 28 28 ASP H H 28 8.849 8.784 0.065 1
1 177 . 11 1 1 A 28 28 ASP HA H 28 4.419 4.930 -0.511 1
1 180 . 11 1 1 A 28 28 ASP N N 28 126.815 119.229 7.586 1
1 181 . 11 1 1 A 29 29 TRP H H 29 7.982 7.733 0.249 1
1 182 . 11 1 1 A 29 29 TRP HA H 29 4.198 4.783 -0.585 1
1 191 . 11 1 1 A 29 29 TRP N N 29 123.876 118.018 5.858 1
1 194 . 11 1 1 A 30 30 ALA HA H 30 4.334 4.538 -0.204 1
1 198 . 11 1 1 A 30 30 ALA N N 30 114.831 138.339 -23.508 1
1 199 . 11 1 1 A 31 31 ALA H H 31 7.855 7.539 0.316 1
1 200 . 11 1 1 A 31 31 ALA HA H 31 4.604 4.949 -0.345 1
1 204 . 11 1 1 A 31 31 ALA N N 31 119.366 119.557 -0.191 1
1 205 . 11 1 1 A 32 32 GLN H H 32 6.836 8.860 -2.024 1
1 206 . 11 1 1 A 32 32 GLN HA H 32 4.254 4.547 -0.293 1
1 213 . 11 1 1 A 32 32 GLN N N 32 115.145 124.915 -9.770 1
1 215 . 11 1 1 A 33 33 GLU H H 33 8.729 8.758 -0.029 1
1 216 . 11 1 1 A 33 33 GLU HA H 33 4.464 5.210 -0.746 1
1 221 . 11 1 1 A 33 33 GLU N N 33 118.546 120.394 -1.848 1
1 222 . 11 1 1 A 34 34 PRO HA H 34 4.507 4.373 0.134 1
1 226 . 11 1 1 A 35 35 HIS H H 35 9.736 7.376 2.360 1
1 227 . 11 1 1 A 35 35 HIS HA H 35 4.861 4.473 0.388 1
1 230 . 11 1 1 A 35 35 HIS N N 35 117.871 116.780 1.091 1
1 231 . 11 1 1 A 36 36 ARG H H 36 9.255 8.324 0.931 1
1 232 . 11 1 1 A 36 36 ARG HA H 36 4.368 4.885 -0.517 1
1 234 . 11 1 1 A 36 36 ARG N N 36 119.886 118.891 0.995 1
1 235 . 11 1 1 A 37 37 HIS H H 37 8.487 8.024 0.463 1
1 236 . 11 1 1 A 37 37 HIS HA H 37 4.969 5.104 -0.135 1
1 242 . 11 1 1 A 37 37 HIS N N 37 118.654 110.069 8.585 1
1 245 . 11 1 1 A 38 38 SER HA H 38 4.516 4.433 0.083 1
1 248 . 11 1 1 A 38 38 SER N N 38 126.261 136.249 -9.988 1
1 249 . 11 1 1 A 39 39 ILE H H 39 8.191 8.441 -0.250 1
1 250 . 11 1 1 A 39 39 ILE HA H 39 5.197 4.204 0.993 1
1 259 . 11 1 1 A 39 39 ILE N N 39 106.468 117.180 -10.712 1
1 260 . 11 1 1 A 40 40 PHE H H 40 8.158 7.621 0.537 1
1 261 . 11 1 1 A 40 40 PHE HA H 40 4.099 4.333 -0.234 1
1 269 . 11 1 1 A 40 40 PHE N N 40 116.320 111.322 4.998 1
1 270 . 11 1 1 A 41 41 THR H H 41 7.254 7.847 -0.593 1
1 271 . 11 1 1 A 41 41 THR HA H 41 4.503 5.221 -0.718 1
1 273 . 11 1 1 A 41 41 THR N N 41 113.915 119.912 -5.997 1
1 274 . 11 1 1 A 42 42 PRO HA H 42 4.166 4.495 -0.329 1
1 280 . 11 1 1 A 43 43 GLU H H 43 7.824 8.509 -0.685 1
1 281 . 11 1 1 A 43 43 GLU HA H 43 4.161 4.260 -0.099 1
1 284 . 11 1 1 A 43 43 GLU N N 43 112.032 116.823 -4.791 1
1 285 . 11 1 1 A 44 44 THR H H 44 7.859 7.420 0.439 1
1 286 . 11 1 1 A 44 44 THR HA H 44 4.213 4.388 -0.175 1
1 287 . 11 1 1 A 44 44 THR N N 44 109.971 120.779 -10.808 1
1 288 . 11 1 1 A 45 45 ASN H H 45 7.828 8.030 -0.202 1
1 294 . 11 1 1 A 45 45 ASN N N 45 118.292 108.033 10.259 1
1 299 . 11 1 1 A 47 47 ARG H H 47 8.778 8.013 0.765 1
1 300 . 11 1 1 A 47 47 ARG HA H 47 4.594 4.951 -0.357 1
1 307 . 11 1 1 A 47 47 ARG N N 47 117.742 125.123 -7.381 1
1 309 . 11 1 1 A 48 48 ALA H H 48 7.139 8.944 -1.805 1
1 310 . 11 1 1 A 48 48 ALA HA H 48 4.439 3.945 0.494 1
1 314 . 11 1 1 A 48 48 ALA N N 48 119.525 119.697 -0.172 1
1 315 . 11 1 1 A 49 49 GLY H H 49 8.256 8.257 -0.001 1
1 318 . 11 1 1 A 49 49 GLY N N 49 108.423 122.248 -13.825 1
1 319 . 11 1 1 A 50 50 LEU H H 50 9.144 7.344 1.800 1
1 320 . 11 1 1 A 50 50 LEU HA H 50 3.268 4.752 -1.484 1
1 330 . 11 1 1 A 50 50 LEU N N 50 121.605 121.396 0.209 1
1 331 . 11 1 1 A 51 51 GLU H H 51 7.651 9.481 -1.830 1
1 332 . 11 1 1 A 51 51 GLU HA H 51 4.504 4.949 -0.445 1
1 335 . 11 1 1 A 51 51 GLU N N 51 124.470 122.653 1.817 1
1 336 . 11 1 1 A 52 52 LYS H H 52 8.878 8.544 0.334 1
1 337 . 11 1 1 A 52 52 LYS HA H 52 3.618 4.963 -1.345 1
1 341 . 11 1 1 A 52 52 LYS N N 52 118.010 121.704 -3.694 1
1 342 . 11 1 1 A 53 53 ASN H H 53 7.874 8.369 -0.495 1
1 343 . 11 1 1 A 53 53 ASN HA H 53 4.574 5.294 -0.720 1
1 348 . 11 1 1 A 53 53 ASN N N 53 122.833 120.069 2.764 1
1 351 . 11 1 1 A 54 54 TYR HA H 54 4.992 4.471 0.521 1
1 358 . 11 1 1 A 54 54 TYR N N 54 112.865 139.082 -26.217 1
1 359 . 11 1 1 A 55 55 CYS H H 55 8.917 8.188 0.729 1
1 360 . 11 1 1 A 55 55 CYS HA H 55 4.488 4.895 -0.407 1
1 363 . 11 1 1 A 55 55 CYS N N 55 118.745 117.186 1.559 1
1 364 . 11 1 1 A 56 56 ARG H H 56 9.470 7.938 1.532 1
1 372 . 11 1 1 A 56 56 ARG N N 56 123.525 108.570 14.955 1
1 374 . 11 1 1 A 57 57 ASN H H 57 8.417 8.267 0.150 1
1 375 . 11 1 1 A 57 57 ASN HA H 57 5.540 4.597 0.943 1
1 380 . 11 1 1 A 57 57 ASN N N 57 113.293 121.126 -7.833 1
1 382 . 11 1 1 A 58 58 PRO HA H 58 4.454 4.238 0.216 1
1 389 . 11 1 1 A 59 59 ASP H H 59 9.547 8.217 1.330 1
1 393 . 11 1 1 A 59 59 ASP N N 59 114.552 110.683 3.869 1
1 394 . 11 1 1 A 60 60 GLY H H 60 7.436 7.574 -0.138 1
1 395 . 11 1 1 A 60 60 GLY HA2 H 60 3.311 4.202 -0.891 1
1 396 . 11 1 1 A 60 60 GLY HA3 H 60 3.799 4.215 -0.416 1
1 397 . 11 1 1 A 60 60 GLY N N 60 109.636 106.696 2.940 1
1 399 . 11 1 1 A 61 61 ASP HA H 61 4.369 4.966 -0.597 1
1 401 . 11 1 1 A 61 61 ASP N N 61 123.255 133.136 -9.881 1
1 402 . 11 1 1 A 62 62 VAL H H 62 8.871 8.985 -0.114 1
1 403 . 11 1 1 A 62 62 VAL HA H 62 3.997 5.312 -1.315 1
1 411 . 11 1 1 A 62 62 VAL N N 62 127.998 118.967 9.031 1
1 412 . 11 1 1 A 63 63 GLY H H 63 9.855 8.914 0.941 1
1 415 . 11 1 1 A 63 63 GLY N N 63 109.474 116.840 -7.366 1
1 416 . 11 1 1 A 64 64 GLY H H 64 7.718 8.129 -0.411 1
1 419 . 11 1 1 A 64 64 GLY N N 64 107.373 119.275 -11.902 1
1 420 . 11 1 1 A 65 65 PRO HA H 65 4.004 4.793 -0.789 1
1 423 . 11 1 1 A 66 66 TRP H H 66 8.894 8.649 0.245 1
1 424 . 11 1 1 A 66 66 TRP HA H 66 5.340 4.357 0.983 1
1 433 . 11 1 1 A 66 66 TRP N N 66 122.955 113.476 9.479 1
1 435 . 11 1 1 A 67 67 CYS H H 67 8.673 7.749 0.924 1
1 436 . 11 1 1 A 67 67 CYS HA H 67 4.427 5.090 -0.663 1
1 439 . 11 1 1 A 67 67 CYS N N 67 109.130 122.569 -13.439 1
1 441 . 11 1 1 A 68 68 TYR HA H 68 5.167 4.434 0.733 1
1 448 . 11 1 1 A 68 68 TYR N N 68 121.963 141.375 -19.412 1
1 449 . 11 1 1 A 69 69 THR H H 69 7.813 8.681 -0.868 1
1 450 . 11 1 1 A 69 69 THR HA H 69 5.255 4.232 1.023 1
1 456 . 11 1 1 A 69 69 THR N N 69 111.504 117.805 -6.301 1
1 457 . 11 1 1 A 70 70 THR H H 70 7.778 7.100 0.678 1
1 458 . 11 1 1 A 70 70 THR HA H 70 3.977 4.755 -0.778 1
1 463 . 11 1 1 A 70 70 THR N N 70 105.004 115.454 -10.450 1
1 464 . 11 1 1 A 71 71 ASN H H 71 8.714 8.678 0.036 1
1 465 . 11 1 1 A 71 71 ASN HA H 71 5.035 4.537 0.498 1
1 470 . 11 1 1 A 71 71 ASN N N 71 122.506 120.358 2.148 1
1 472 . 11 1 1 A 72 72 PRO HA H 72 3.766 5.235 -1.469 1
1 476 . 11 1 1 A 73 73 ARG H H 73 8.036 8.683 -0.647 1
1 477 . 11 1 1 A 73 73 ARG HA H 73 4.384 4.995 -0.611 1
1 482 . 11 1 1 A 73 73 ARG N N 73 113.053 120.059 -7.006 1
1 484 . 11 1 1 A 74 74 LYS H H 74 7.664 8.928 -1.264 1
1 485 . 11 1 1 A 74 74 LYS HA H 74 4.597 4.996 -0.399 1
1 489 . 11 1 1 A 74 74 LYS N N 74 121.711 118.606 3.105 1
1 490 . 11 1 1 A 75 75 LEU H H 75 8.805 9.299 -0.494 1
1 491 . 11 1 1 A 75 75 LEU HA H 75 2.354 5.216 -2.862 1
1 492 . 11 1 1 A 75 75 LEU N N 75 130.480 120.505 9.975 1
1 493 . 11 1 1 A 76 76 TYR H H 76 7.149 8.944 -1.795 1
1 494 . 11 1 1 A 76 76 TYR HA H 76 5.410 4.931 0.479 1
1 499 . 11 1 1 A 76 76 TYR N N 76 107.886 124.175 -16.289 1
1 500 . 11 1 1 A 77 77 ASP H H 77 8.557 8.203 0.354 1
1 501 . 11 1 1 A 77 77 ASP HA H 77 4.095 4.635 -0.540 1
1 504 . 11 1 1 A 77 77 ASP N N 77 116.171 124.082 -7.911 1
1 506 . 11 1 1 A 78 78 TYR HA H 78 4.577 4.537 0.040 1
1 513 . 11 1 1 A 78 78 TYR N N 78 118.199 141.028 -22.829 1
1 514 . 11 1 1 A 79 79 CYS H H 79 8.718 8.468 0.250 1
1 515 . 11 1 1 A 79 79 CYS HA H 79 4.758 4.426 0.332 1
1 518 . 11 1 1 A 79 79 CYS N N 79 116.747 120.660 -3.913 1
1 519 . 11 1 1 A 80 80 ASP H H 80 9.093 9.514 -0.421 1
1 520 . 11 1 1 A 80 80 ASP HA H 80 4.568 4.163 0.405 1
1 523 . 11 1 1 A 80 80 ASP N N 80 122.193 125.960 -3.767 1
1 524 . 11 1 1 A 81 81 VAL H H 81 7.782 6.994 0.788 1
1 525 . 11 1 1 A 81 81 VAL HA H 81 4.102 4.464 -0.362 1
1 533 . 11 1 1 A 81 81 VAL N N 81 123.869 121.426 2.443 1
1 5 . 12 1 1 A 2 2 ASN H H 2 8.147 8.535 -0.388 1
1 6 . 12 1 1 A 2 2 ASN HA H 2 4.619 5.237 -0.618 1
1 10 . 12 1 1 A 2 2 ASN N N 2 117.923 119.480 -1.557 1
1 12 . 12 1 1 A 3 3 ALA H H 3 8.340 9.113 -0.773 1
1 13 . 12 1 1 A 3 3 ALA HA H 3 4.234 5.128 -0.894 1
1 17 . 12 1 1 A 3 3 ALA N N 3 124.095 120.754 3.341 1
1 18 . 12 1 1 A 4 4 ASP H H 4 8.408 9.560 -1.152 1
1 22 . 12 1 1 A 4 4 ASP N N 4 120.996 114.722 6.274 1
1 23 . 12 1 1 A 5 5 CYS H H 5 8.035 8.866 -0.831 1
1 24 . 12 1 1 A 5 5 CYS HA H 5 4.947 4.808 0.139 1
1 26 . 12 1 1 A 5 5 CYS N N 5 118.050 125.064 -7.014 1
1 27 . 12 1 1 A 6 6 MET H H 6 9.169 7.543 1.626 1
1 31 . 12 1 1 A 6 6 MET N N 6 117.506 107.192 10.314 1
1 32 . 12 1 1 A 7 7 PHE H H 7 9.290 8.529 0.761 1
1 33 . 12 1 1 A 7 7 PHE HA H 7 4.961 4.257 0.704 1
1 41 . 12 1 1 A 7 7 PHE N N 7 119.609 120.364 -0.755 1
1 42 . 12 1 1 A 8 8 GLY H H 8 9.314 8.069 1.245 1
1 43 . 12 1 1 A 8 8 GLY HA2 H 8 3.817 3.941 -0.124 1
1 44 . 12 1 1 A 8 8 GLY HA3 H 8 4.038 3.968 0.070 1
1 45 . 12 1 1 A 8 8 GLY N N 8 115.285 107.662 7.623 1
1 46 . 12 1 1 A 9 9 ASN H H 9 8.563 7.861 0.702 1
1 47 . 12 1 1 A 9 9 ASN HA H 9 4.788 4.760 0.028 1
1 52 . 12 1 1 A 9 9 ASN N N 9 121.190 121.677 -0.487 1
1 54 . 12 1 1 A 10 10 GLY H H 10 8.650 9.009 -0.359 1
1 57 . 12 1 1 A 10 10 GLY N N 10 104.975 128.681 -23.706 1
1 58 . 12 1 1 A 11 11 LYS H H 11 8.616 7.675 0.941 1
1 63 . 12 1 1 A 11 11 LYS N N 11 124.787 108.399 16.388 1
1 64 . 12 1 1 A 12 12 GLY H H 12 8.674 9.305 -0.631 1
1 67 . 12 1 1 A 12 12 GLY N N 12 102.671 116.312 -13.641 1
1 68 . 12 1 1 A 13 13 TYR H H 13 7.632 7.747 -0.115 1
1 69 . 12 1 1 A 13 13 TYR HA H 13 4.456 4.472 -0.016 1
1 76 . 12 1 1 A 13 13 TYR N N 13 120.588 120.566 0.022 1
1 77 . 12 1 1 A 14 14 ARG H H 14 9.249 8.915 0.334 1
1 78 . 12 1 1 A 14 14 ARG HA H 14 4.109 4.589 -0.480 1
1 82 . 12 1 1 A 14 14 ARG N N 14 131.346 117.220 14.126 1
1 84 . 12 1 1 A 15 15 GLY H H 15 4.280 7.597 -3.317 1
1 87 . 12 1 1 A 15 15 GLY N N 15 104.876 115.638 -10.762 1
1 88 . 12 1 1 A 16 16 LYS H H 16 8.781 8.959 -0.178 1
1 89 . 12 1 1 A 16 16 LYS HA H 16 4.167 4.608 -0.441 1
1 95 . 12 1 1 A 16 16 LYS N N 16 116.399 117.212 -0.813 1
1 96 . 12 1 1 A 17 17 ARG H H 17 7.493 9.319 -1.826 1
1 97 . 12 1 1 A 17 17 ARG HA H 17 4.360 3.870 0.490 1
1 104 . 12 1 1 A 17 17 ARG N N 17 121.452 118.239 3.213 1
1 106 . 12 1 1 A 18 18 VAL H H 18 8.298 7.656 0.642 1
1 107 . 12 1 1 A 18 18 VAL HA H 18 5.005 4.448 0.557 1
1 115 . 12 1 1 A 18 18 VAL N N 18 113.240 111.124 2.116 1
1 116 . 12 1 1 A 19 19 THR H H 19 7.209 8.136 -0.927 1
1 122 . 12 1 1 A 19 19 THR N N 19 111.368 111.936 -0.568 1
1 123 . 12 1 1 A 20 20 THR H H 20 8.518 7.693 0.825 1
1 124 . 12 1 1 A 20 20 THR HA H 20 4.605 4.345 0.260 1
1 129 . 12 1 1 A 20 20 THR N N 20 110.279 117.024 -6.745 1
1 131 . 12 1 1 A 21 21 VAL HA H 21 4.049 4.407 -0.358 1
1 139 . 12 1 1 A 21 21 VAL N N 21 116.629 141.971 -25.342 1
1 140 . 12 1 1 A 22 22 THR H H 22 7.376 8.357 -0.981 1
1 141 . 12 1 1 A 22 22 THR HA H 22 4.521 4.631 -0.110 1
1 145 . 12 1 1 A 22 22 THR N N 22 108.221 122.192 -13.971 1
1 146 . 12 1 1 A 23 23 GLY H H 23 8.345 9.131 -0.786 1
1 149 . 12 1 1 A 23 23 GLY N N 23 110.656 124.292 -13.636 1
1 150 . 12 1 1 A 24 24 THR H H 24 7.330 8.351 -1.021 1
1 151 . 12 1 1 A 24 24 THR HA H 24 4.419 5.059 -0.640 1
1 156 . 12 1 1 A 24 24 THR N N 24 119.053 123.149 -4.096 1
1 157 . 12 1 1 A 25 25 PRO HA H 25 4.601 4.661 -0.060 1
1 161 . 12 1 1 A 26 26 CYS H H 26 8.451 7.480 0.971 1
1 162 . 12 1 1 A 26 26 CYS HA H 26 4.715 4.278 0.437 1
1 165 . 12 1 1 A 26 26 CYS N N 26 123.739 120.727 3.012 1
1 166 . 12 1 1 A 27 27 GLN H H 27 9.557 8.063 1.494 1
1 167 . 12 1 1 A 27 27 GLN HA H 27 3.946 4.385 -0.439 1
1 174 . 12 1 1 A 27 27 GLN N N 27 126.620 120.504 6.116 1
1 176 . 12 1 1 A 28 28 ASP H H 28 8.849 8.785 0.064 1
1 177 . 12 1 1 A 28 28 ASP HA H 28 4.419 4.900 -0.481 1
1 180 . 12 1 1 A 28 28 ASP N N 28 126.815 119.730 7.085 1
1 181 . 12 1 1 A 29 29 TRP H H 29 7.982 7.847 0.135 1
1 182 . 12 1 1 A 29 29 TRP HA H 29 4.198 4.768 -0.570 1
1 191 . 12 1 1 A 29 29 TRP N N 29 123.876 118.186 5.690 1
1 194 . 12 1 1 A 30 30 ALA HA H 30 4.334 4.597 -0.263 1
1 198 . 12 1 1 A 30 30 ALA N N 30 114.831 138.320 -23.489 1
1 199 . 12 1 1 A 31 31 ALA H H 31 7.855 7.563 0.292 1
1 200 . 12 1 1 A 31 31 ALA HA H 31 4.604 5.011 -0.407 1
1 204 . 12 1 1 A 31 31 ALA N N 31 119.366 118.656 0.710 1
1 205 . 12 1 1 A 32 32 GLN H H 32 6.836 8.562 -1.726 1
1 206 . 12 1 1 A 32 32 GLN HA H 32 4.254 4.282 -0.028 1
1 213 . 12 1 1 A 32 32 GLN N N 32 115.145 123.059 -7.914 1
1 215 . 12 1 1 A 33 33 GLU H H 33 8.729 8.657 0.072 1
1 216 . 12 1 1 A 33 33 GLU HA H 33 4.464 5.196 -0.732 1
1 221 . 12 1 1 A 33 33 GLU N N 33 118.546 118.720 -0.174 1
1 222 . 12 1 1 A 34 34 PRO HA H 34 4.507 4.407 0.100 1
1 226 . 12 1 1 A 35 35 HIS H H 35 9.736 7.413 2.323 1
1 227 . 12 1 1 A 35 35 HIS HA H 35 4.861 4.503 0.358 1
1 230 . 12 1 1 A 35 35 HIS N N 35 117.871 116.807 1.064 1
1 231 . 12 1 1 A 36 36 ARG H H 36 9.255 8.299 0.956 1
1 232 . 12 1 1 A 36 36 ARG HA H 36 4.368 4.796 -0.428 1
1 234 . 12 1 1 A 36 36 ARG N N 36 119.886 118.933 0.953 1
1 235 . 12 1 1 A 37 37 HIS H H 37 8.487 7.953 0.534 1
1 236 . 12 1 1 A 37 37 HIS HA H 37 4.969 5.261 -0.292 1
1 242 . 12 1 1 A 37 37 HIS N N 37 118.654 110.050 8.604 1
1 245 . 12 1 1 A 38 38 SER HA H 38 4.516 4.491 0.025 1
1 248 . 12 1 1 A 38 38 SER N N 38 126.261 136.079 -9.818 1
1 249 . 12 1 1 A 39 39 ILE H H 39 8.191 8.370 -0.179 1
1 250 . 12 1 1 A 39 39 ILE HA H 39 5.197 4.229 0.968 1
1 259 . 12 1 1 A 39 39 ILE N N 39 106.468 117.142 -10.674 1
1 260 . 12 1 1 A 40 40 PHE H H 40 8.158 7.651 0.507 1
1 261 . 12 1 1 A 40 40 PHE HA H 40 4.099 4.426 -0.327 1
1 269 . 12 1 1 A 40 40 PHE N N 40 116.320 109.441 6.879 1
1 270 . 12 1 1 A 41 41 THR H H 41 7.254 7.842 -0.588 1
1 271 . 12 1 1 A 41 41 THR HA H 41 4.503 5.245 -0.742 1
1 273 . 12 1 1 A 41 41 THR N N 41 113.915 119.667 -5.752 1
1 274 . 12 1 1 A 42 42 PRO HA H 42 4.166 4.491 -0.325 1
1 280 . 12 1 1 A 43 43 GLU H H 43 7.824 8.509 -0.685 1
1 281 . 12 1 1 A 43 43 GLU HA H 43 4.161 4.258 -0.097 1
1 284 . 12 1 1 A 43 43 GLU N N 43 112.032 117.571 -5.539 1
1 285 . 12 1 1 A 44 44 THR H H 44 7.859 7.419 0.440 1
1 286 . 12 1 1 A 44 44 THR HA H 44 4.213 4.422 -0.209 1
1 287 . 12 1 1 A 44 44 THR N N 44 109.971 120.747 -10.776 1
1 288 . 12 1 1 A 45 45 ASN H H 45 7.828 8.082 -0.254 1
1 294 . 12 1 1 A 45 45 ASN N N 45 118.292 107.806 10.486 1
1 299 . 12 1 1 A 47 47 ARG H H 47 8.778 8.189 0.589 1
1 300 . 12 1 1 A 47 47 ARG HA H 47 4.594 4.757 -0.163 1
1 307 . 12 1 1 A 47 47 ARG N N 47 117.742 120.790 -3.048 1
1 309 . 12 1 1 A 48 48 ALA H H 48 7.139 8.904 -1.765 1
1 310 . 12 1 1 A 48 48 ALA HA H 48 4.439 4.035 0.404 1
1 314 . 12 1 1 A 48 48 ALA N N 48 119.525 119.871 -0.346 1
1 315 . 12 1 1 A 49 49 GLY H H 49 8.256 8.319 -0.063 1
1 318 . 12 1 1 A 49 49 GLY N N 49 108.423 121.711 -13.288 1
1 319 . 12 1 1 A 50 50 LEU H H 50 9.144 7.406 1.738 1
1 320 . 12 1 1 A 50 50 LEU HA H 50 3.268 4.726 -1.458 1
1 330 . 12 1 1 A 50 50 LEU N N 50 121.605 121.306 0.299 1
1 331 . 12 1 1 A 51 51 GLU H H 51 7.651 9.444 -1.793 1
1 332 . 12 1 1 A 51 51 GLU HA H 51 4.504 4.964 -0.460 1
1 335 . 12 1 1 A 51 51 GLU N N 51 124.470 123.227 1.243 1
1 336 . 12 1 1 A 52 52 LYS H H 52 8.878 8.703 0.175 1
1 337 . 12 1 1 A 52 52 LYS HA H 52 3.618 5.010 -1.392 1
1 341 . 12 1 1 A 52 52 LYS N N 52 118.010 122.329 -4.319 1
1 342 . 12 1 1 A 53 53 ASN H H 53 7.874 8.315 -0.441 1
1 343 . 12 1 1 A 53 53 ASN HA H 53 4.574 5.245 -0.671 1
1 348 . 12 1 1 A 53 53 ASN N N 53 122.833 119.948 2.885 1
1 351 . 12 1 1 A 54 54 TYR HA H 54 4.992 4.457 0.535 1
1 358 . 12 1 1 A 54 54 TYR N N 54 112.865 139.054 -26.189 1
1 359 . 12 1 1 A 55 55 CYS H H 55 8.917 8.205 0.712 1
1 360 . 12 1 1 A 55 55 CYS HA H 55 4.488 4.885 -0.397 1
1 363 . 12 1 1 A 55 55 CYS N N 55 118.745 116.327 2.418 1
1 364 . 12 1 1 A 56 56 ARG H H 56 9.470 7.970 1.500 1
1 372 . 12 1 1 A 56 56 ARG N N 56 123.525 108.371 15.154 1
1 374 . 12 1 1 A 57 57 ASN H H 57 8.417 8.306 0.111 1
1 375 . 12 1 1 A 57 57 ASN HA H 57 5.540 4.592 0.948 1
1 380 . 12 1 1 A 57 57 ASN N N 57 113.293 121.123 -7.830 1
1 382 . 12 1 1 A 58 58 PRO HA H 58 4.454 4.248 0.206 1
1 389 . 12 1 1 A 59 59 ASP H H 59 9.547 8.203 1.344 1
1 393 . 12 1 1 A 59 59 ASP N N 59 114.552 110.659 3.893 1
1 394 . 12 1 1 A 60 60 GLY H H 60 7.436 7.562 -0.126 1
1 395 . 12 1 1 A 60 60 GLY HA2 H 60 3.311 4.210 -0.899 1
1 396 . 12 1 1 A 60 60 GLY HA3 H 60 3.799 4.236 -0.437 1
1 397 . 12 1 1 A 60 60 GLY N N 60 109.636 106.778 2.858 1
1 399 . 12 1 1 A 61 61 ASP HA H 61 4.369 4.988 -0.619 1
1 401 . 12 1 1 A 61 61 ASP N N 61 123.255 133.145 -9.890 1
1 402 . 12 1 1 A 62 62 VAL H H 62 8.871 9.198 -0.327 1
1 403 . 12 1 1 A 62 62 VAL HA H 62 3.997 5.301 -1.304 1
1 411 . 12 1 1 A 62 62 VAL N N 62 127.998 119.047 8.951 1
1 412 . 12 1 1 A 63 63 GLY H H 63 9.855 8.942 0.913 1
1 415 . 12 1 1 A 63 63 GLY N N 63 109.474 116.822 -7.348 1
1 416 . 12 1 1 A 64 64 GLY H H 64 7.718 8.054 -0.336 1
1 419 . 12 1 1 A 64 64 GLY N N 64 107.373 119.044 -11.671 1
1 420 . 12 1 1 A 65 65 PRO HA H 65 4.004 4.988 -0.984 1
1 423 . 12 1 1 A 66 66 TRP H H 66 8.894 8.653 0.241 1
1 424 . 12 1 1 A 66 66 TRP HA H 66 5.340 4.417 0.923 1
1 433 . 12 1 1 A 66 66 TRP N N 66 122.955 114.042 8.913 1
1 435 . 12 1 1 A 67 67 CYS H H 67 8.673 7.784 0.889 1
1 436 . 12 1 1 A 67 67 CYS HA H 67 4.427 5.100 -0.673 1
1 439 . 12 1 1 A 67 67 CYS N N 67 109.130 122.405 -13.275 1
1 441 . 12 1 1 A 68 68 TYR HA H 68 5.167 4.475 0.692 1
1 448 . 12 1 1 A 68 68 TYR N N 68 121.963 141.919 -19.956 1
1 449 . 12 1 1 A 69 69 THR H H 69 7.813 8.598 -0.785 1
1 450 . 12 1 1 A 69 69 THR HA H 69 5.255 4.231 1.024 1
1 456 . 12 1 1 A 69 69 THR N N 69 111.504 117.762 -6.258 1
1 457 . 12 1 1 A 70 70 THR H H 70 7.778 7.524 0.254 1
1 458 . 12 1 1 A 70 70 THR HA H 70 3.977 4.841 -0.864 1
1 463 . 12 1 1 A 70 70 THR N N 70 105.004 115.249 -10.245 1
1 464 . 12 1 1 A 71 71 ASN H H 71 8.714 8.691 0.023 1
1 465 . 12 1 1 A 71 71 ASN HA H 71 5.035 4.475 0.560 1
1 470 . 12 1 1 A 71 71 ASN N N 71 122.506 120.460 2.046 1
1 472 . 12 1 1 A 72 72 PRO HA H 72 3.766 5.203 -1.437 1
1 476 . 12 1 1 A 73 73 ARG H H 73 8.036 8.561 -0.525 1
1 477 . 12 1 1 A 73 73 ARG HA H 73 4.384 4.955 -0.571 1
1 482 . 12 1 1 A 73 73 ARG N N 73 113.053 119.735 -6.682 1
1 484 . 12 1 1 A 74 74 LYS H H 74 7.664 8.918 -1.254 1
1 485 . 12 1 1 A 74 74 LYS HA H 74 4.597 4.989 -0.392 1
1 489 . 12 1 1 A 74 74 LYS N N 74 121.711 118.958 2.753 1
1 490 . 12 1 1 A 75 75 LEU H H 75 8.805 9.154 -0.349 1
1 491 . 12 1 1 A 75 75 LEU HA H 75 2.354 5.072 -2.718 1
1 492 . 12 1 1 A 75 75 LEU N N 75 130.480 120.587 9.893 1
1 493 . 12 1 1 A 76 76 TYR H H 76 7.149 8.665 -1.516 1
1 494 . 12 1 1 A 76 76 TYR HA H 76 5.410 4.778 0.632 1
1 499 . 12 1 1 A 76 76 TYR N N 76 107.886 120.270 -12.384 1
1 500 . 12 1 1 A 77 77 ASP H H 77 8.557 7.406 1.151 1
1 501 . 12 1 1 A 77 77 ASP HA H 77 4.095 4.340 -0.245 1
1 504 . 12 1 1 A 77 77 ASP N N 77 116.171 120.420 -4.249 1
1 506 . 12 1 1 A 78 78 TYR HA H 78 4.577 4.503 0.074 1
1 513 . 12 1 1 A 78 78 TYR N N 78 118.199 142.562 -24.363 1
1 514 . 12 1 1 A 79 79 CYS H H 79 8.718 8.455 0.263 1
1 515 . 12 1 1 A 79 79 CYS HA H 79 4.758 4.379 0.379 1
1 518 . 12 1 1 A 79 79 CYS N N 79 116.747 120.719 -3.972 1
1 519 . 12 1 1 A 80 80 ASP H H 80 9.093 9.576 -0.483 1
1 520 . 12 1 1 A 80 80 ASP HA H 80 4.568 4.154 0.414 1
1 523 . 12 1 1 A 80 80 ASP N N 80 122.193 125.783 -3.590 1
1 524 . 12 1 1 A 81 81 VAL H H 81 7.782 7.157 0.625 1
1 525 . 12 1 1 A 81 81 VAL HA H 81 4.102 4.507 -0.405 1
1 533 . 12 1 1 A 81 81 VAL N N 81 123.869 121.247 2.622 1
1 5 . 13 1 1 A 2 2 ASN H H 2 8.147 8.722 -0.575 1
1 6 . 13 1 1 A 2 2 ASN HA H 2 4.619 5.331 -0.712 1
1 10 . 13 1 1 A 2 2 ASN N N 2 117.923 120.448 -2.525 1
1 12 . 13 1 1 A 3 3 ALA H H 3 8.340 9.047 -0.707 1
1 13 . 13 1 1 A 3 3 ALA HA H 3 4.234 5.066 -0.832 1
1 17 . 13 1 1 A 3 3 ALA N N 3 124.095 119.973 4.122 1
1 18 . 13 1 1 A 4 4 ASP H H 4 8.408 9.639 -1.231 1
1 22 . 13 1 1 A 4 4 ASP N N 4 120.996 114.915 6.081 1
1 23 . 13 1 1 A 5 5 CYS H H 5 8.035 8.864 -0.829 1
1 24 . 13 1 1 A 5 5 CYS HA H 5 4.947 4.725 0.222 1
1 26 . 13 1 1 A 5 5 CYS N N 5 118.050 125.070 -7.020 1
1 27 . 13 1 1 A 6 6 MET H H 6 9.169 7.471 1.698 1
1 31 . 13 1 1 A 6 6 MET N N 6 117.506 107.095 10.411 1
1 32 . 13 1 1 A 7 7 PHE H H 7 9.290 8.538 0.752 1
1 33 . 13 1 1 A 7 7 PHE HA H 7 4.961 4.366 0.595 1
1 41 . 13 1 1 A 7 7 PHE N N 7 119.609 120.434 -0.825 1
1 42 . 13 1 1 A 8 8 GLY H H 8 9.314 8.078 1.236 1
1 43 . 13 1 1 A 8 8 GLY HA2 H 8 3.817 3.928 -0.111 1
1 44 . 13 1 1 A 8 8 GLY HA3 H 8 4.038 3.953 0.085 1
1 45 . 13 1 1 A 8 8 GLY N N 8 115.285 107.952 7.333 1
1 46 . 13 1 1 A 9 9 ASN H H 9 8.563 7.904 0.659 1
1 47 . 13 1 1 A 9 9 ASN HA H 9 4.788 4.707 0.081 1
1 52 . 13 1 1 A 9 9 ASN N N 9 121.190 121.948 -0.758 1
1 54 . 13 1 1 A 10 10 GLY H H 10 8.650 8.791 -0.141 1
1 57 . 13 1 1 A 10 10 GLY N N 10 104.975 128.146 -23.171 1
1 58 . 13 1 1 A 11 11 LYS H H 11 8.616 7.386 1.230 1
1 63 . 13 1 1 A 11 11 LYS N N 11 124.787 108.316 16.471 1
1 64 . 13 1 1 A 12 12 GLY H H 12 8.674 9.250 -0.576 1
1 67 . 13 1 1 A 12 12 GLY N N 12 102.671 116.732 -14.061 1
1 68 . 13 1 1 A 13 13 TYR H H 13 7.632 7.872 -0.240 1
1 69 . 13 1 1 A 13 13 TYR HA H 13 4.456 4.480 -0.024 1
1 76 . 13 1 1 A 13 13 TYR N N 13 120.588 120.509 0.079 1
1 77 . 13 1 1 A 14 14 ARG H H 14 9.249 8.930 0.319 1
1 78 . 13 1 1 A 14 14 ARG HA H 14 4.109 4.599 -0.490 1
1 82 . 13 1 1 A 14 14 ARG N N 14 131.346 117.235 14.111 1
1 84 . 13 1 1 A 15 15 GLY H H 15 4.280 7.567 -3.287 1
1 87 . 13 1 1 A 15 15 GLY N N 15 104.876 115.822 -10.946 1
1 88 . 13 1 1 A 16 16 LYS H H 16 8.781 8.967 -0.186 1
1 89 . 13 1 1 A 16 16 LYS HA H 16 4.167 4.627 -0.460 1
1 95 . 13 1 1 A 16 16 LYS N N 16 116.399 117.094 -0.695 1
1 96 . 13 1 1 A 17 17 ARG H H 17 7.493 9.209 -1.716 1
1 97 . 13 1 1 A 17 17 ARG HA H 17 4.360 3.902 0.458 1
1 104 . 13 1 1 A 17 17 ARG N N 17 121.452 118.018 3.434 1
1 106 . 13 1 1 A 18 18 VAL H H 18 8.298 7.650 0.648 1
1 107 . 13 1 1 A 18 18 VAL HA H 18 5.005 4.421 0.584 1
1 115 . 13 1 1 A 18 18 VAL N N 18 113.240 111.134 2.106 1
1 116 . 13 1 1 A 19 19 THR H H 19 7.209 7.941 -0.732 1
1 122 . 13 1 1 A 19 19 THR N N 19 111.368 111.828 -0.460 1
1 123 . 13 1 1 A 20 20 THR H H 20 8.518 7.667 0.851 1
1 124 . 13 1 1 A 20 20 THR HA H 20 4.605 4.361 0.244 1
1 129 . 13 1 1 A 20 20 THR N N 20 110.279 116.851 -6.572 1
1 131 . 13 1 1 A 21 21 VAL HA H 21 4.049 4.491 -0.442 1
1 139 . 13 1 1 A 21 21 VAL N N 21 116.629 141.970 -25.341 1
1 140 . 13 1 1 A 22 22 THR H H 22 7.376 8.535 -1.159 1
1 141 . 13 1 1 A 22 22 THR HA H 22 4.521 4.705 -0.184 1
1 145 . 13 1 1 A 22 22 THR N N 22 108.221 122.294 -14.073 1
1 146 . 13 1 1 A 23 23 GLY H H 23 8.345 9.157 -0.812 1
1 149 . 13 1 1 A 23 23 GLY N N 23 110.656 124.452 -13.796 1
1 150 . 13 1 1 A 24 24 THR H H 24 7.330 8.712 -1.382 1
1 151 . 13 1 1 A 24 24 THR HA H 24 4.419 5.042 -0.623 1
1 156 . 13 1 1 A 24 24 THR N N 24 119.053 123.042 -3.989 1
1 157 . 13 1 1 A 25 25 PRO HA H 25 4.601 4.729 -0.128 1
1 161 . 13 1 1 A 26 26 CYS H H 26 8.451 7.724 0.727 1
1 162 . 13 1 1 A 26 26 CYS HA H 26 4.715 4.294 0.421 1
1 165 . 13 1 1 A 26 26 CYS N N 26 123.739 121.094 2.645 1
1 166 . 13 1 1 A 27 27 GLN H H 27 9.557 8.215 1.342 1
1 167 . 13 1 1 A 27 27 GLN HA H 27 3.946 4.484 -0.538 1
1 174 . 13 1 1 A 27 27 GLN N N 27 126.620 119.952 6.668 1
1 176 . 13 1 1 A 28 28 ASP H H 28 8.849 8.750 0.099 1
1 177 . 13 1 1 A 28 28 ASP HA H 28 4.419 4.959 -0.540 1
1 180 . 13 1 1 A 28 28 ASP N N 28 126.815 119.727 7.088 1
1 181 . 13 1 1 A 29 29 TRP H H 29 7.982 7.842 0.140 1
1 182 . 13 1 1 A 29 29 TRP HA H 29 4.198 4.757 -0.559 1
1 191 . 13 1 1 A 29 29 TRP N N 29 123.876 118.124 5.752 1
1 194 . 13 1 1 A 30 30 ALA HA H 30 4.334 4.532 -0.198 1
1 198 . 13 1 1 A 30 30 ALA N N 30 114.831 138.172 -23.341 1
1 199 . 13 1 1 A 31 31 ALA H H 31 7.855 7.534 0.321 1
1 200 . 13 1 1 A 31 31 ALA HA H 31 4.604 4.934 -0.330 1
1 204 . 13 1 1 A 31 31 ALA N N 31 119.366 119.542 -0.176 1
1 205 . 13 1 1 A 32 32 GLN H H 32 6.836 8.858 -2.022 1
1 206 . 13 1 1 A 32 32 GLN HA H 32 4.254 4.534 -0.280 1
1 213 . 13 1 1 A 32 32 GLN N N 32 115.145 124.799 -9.654 1
1 215 . 13 1 1 A 33 33 GLU H H 33 8.729 8.622 0.107 1
1 216 . 13 1 1 A 33 33 GLU HA H 33 4.464 5.171 -0.707 1
1 221 . 13 1 1 A 33 33 GLU N N 33 118.546 119.988 -1.442 1
1 222 . 13 1 1 A 34 34 PRO HA H 34 4.507 4.399 0.108 1
1 226 . 13 1 1 A 35 35 HIS H H 35 9.736 7.432 2.304 1
1 227 . 13 1 1 A 35 35 HIS HA H 35 4.861 4.499 0.362 1
1 230 . 13 1 1 A 35 35 HIS N N 35 117.871 117.062 0.809 1
1 231 . 13 1 1 A 36 36 ARG H H 36 9.255 8.262 0.993 1
1 232 . 13 1 1 A 36 36 ARG HA H 36 4.368 4.863 -0.495 1
1 234 . 13 1 1 A 36 36 ARG N N 36 119.886 119.093 0.793 1
1 235 . 13 1 1 A 37 37 HIS H H 37 8.487 8.075 0.412 1
1 236 . 13 1 1 A 37 37 HIS HA H 37 4.969 5.086 -0.117 1
1 242 . 13 1 1 A 37 37 HIS N N 37 118.654 110.320 8.334 1
1 245 . 13 1 1 A 38 38 SER HA H 38 4.516 4.368 0.148 1
1 248 . 13 1 1 A 38 38 SER N N 38 126.261 136.540 -10.279 1
1 249 . 13 1 1 A 39 39 ILE H H 39 8.191 8.378 -0.187 1
1 250 . 13 1 1 A 39 39 ILE HA H 39 5.197 4.232 0.965 1
1 259 . 13 1 1 A 39 39 ILE N N 39 106.468 117.273 -10.805 1
1 260 . 13 1 1 A 40 40 PHE H H 40 8.158 7.732 0.426 1
1 261 . 13 1 1 A 40 40 PHE HA H 40 4.099 4.271 -0.172 1
1 269 . 13 1 1 A 40 40 PHE N N 40 116.320 111.551 4.769 1
1 270 . 13 1 1 A 41 41 THR H H 41 7.254 7.774 -0.520 1
1 271 . 13 1 1 A 41 41 THR HA H 41 4.503 5.230 -0.727 1
1 273 . 13 1 1 A 41 41 THR N N 41 113.915 119.897 -5.982 1
1 274 . 13 1 1 A 42 42 PRO HA H 42 4.166 4.460 -0.294 1
1 280 . 13 1 1 A 43 43 GLU H H 43 7.824 8.304 -0.480 1
1 281 . 13 1 1 A 43 43 GLU HA H 43 4.161 4.474 -0.313 1
1 284 . 13 1 1 A 43 43 GLU N N 43 112.032 117.231 -5.199 1
1 285 . 13 1 1 A 44 44 THR H H 44 7.859 7.500 0.359 1
1 286 . 13 1 1 A 44 44 THR HA H 44 4.213 4.374 -0.161 1
1 287 . 13 1 1 A 44 44 THR N N 44 109.971 120.442 -10.471 1
1 288 . 13 1 1 A 45 45 ASN H H 45 7.828 7.880 -0.052 1
1 294 . 13 1 1 A 45 45 ASN N N 45 118.292 107.861 10.431 1
1 299 . 13 1 1 A 47 47 ARG H H 47 8.778 7.776 1.002 1
1 300 . 13 1 1 A 47 47 ARG HA H 47 4.594 4.845 -0.251 1
1 307 . 13 1 1 A 47 47 ARG N N 47 117.742 124.791 -7.049 1
1 309 . 13 1 1 A 48 48 ALA H H 48 7.139 8.933 -1.794 1
1 310 . 13 1 1 A 48 48 ALA HA H 48 4.439 3.919 0.520 1
1 314 . 13 1 1 A 48 48 ALA N N 48 119.525 119.868 -0.343 1
1 315 . 13 1 1 A 49 49 GLY H H 49 8.256 8.226 0.030 1
1 318 . 13 1 1 A 49 49 GLY N N 49 108.423 122.001 -13.578 1
1 319 . 13 1 1 A 50 50 LEU H H 50 9.144 7.341 1.803 1
1 320 . 13 1 1 A 50 50 LEU HA H 50 3.268 4.808 -1.540 1
1 330 . 13 1 1 A 50 50 LEU N N 50 121.605 121.272 0.333 1
1 331 . 13 1 1 A 51 51 GLU H H 51 7.651 9.407 -1.756 1
1 332 . 13 1 1 A 51 51 GLU HA H 51 4.504 4.994 -0.490 1
1 335 . 13 1 1 A 51 51 GLU N N 51 124.470 122.938 1.532 1
1 336 . 13 1 1 A 52 52 LYS H H 52 8.878 8.784 0.094 1
1 337 . 13 1 1 A 52 52 LYS HA H 52 3.618 5.001 -1.383 1
1 341 . 13 1 1 A 52 52 LYS N N 52 118.010 122.705 -4.695 1
1 342 . 13 1 1 A 53 53 ASN H H 53 7.874 8.417 -0.543 1
1 343 . 13 1 1 A 53 53 ASN HA H 53 4.574 5.339 -0.765 1
1 348 . 13 1 1 A 53 53 ASN N N 53 122.833 120.929 1.904 1
1 351 . 13 1 1 A 54 54 TYR HA H 54 4.992 4.530 0.462 1
1 358 . 13 1 1 A 54 54 TYR N N 54 112.865 137.798 -24.933 1
1 359 . 13 1 1 A 55 55 CYS H H 55 8.917 8.245 0.672 1
1 360 . 13 1 1 A 55 55 CYS HA H 55 4.488 4.853 -0.365 1
1 363 . 13 1 1 A 55 55 CYS N N 55 118.745 117.273 1.472 1
1 364 . 13 1 1 A 56 56 ARG H H 56 9.470 8.030 1.440 1
1 372 . 13 1 1 A 56 56 ARG N N 56 123.525 108.499 15.026 1
1 374 . 13 1 1 A 57 57 ASN H H 57 8.417 8.256 0.161 1
1 375 . 13 1 1 A 57 57 ASN HA H 57 5.540 4.606 0.934 1
1 380 . 13 1 1 A 57 57 ASN N N 57 113.293 120.817 -7.524 1
1 382 . 13 1 1 A 58 58 PRO HA H 58 4.454 4.323 0.131 1
1 389 . 13 1 1 A 59 59 ASP H H 59 9.547 8.224 1.323 1
1 393 . 13 1 1 A 59 59 ASP N N 59 114.552 109.666 4.886 1
1 394 . 13 1 1 A 60 60 GLY H H 60 7.436 7.550 -0.114 1
1 395 . 13 1 1 A 60 60 GLY HA2 H 60 3.311 4.159 -0.848 1
1 396 . 13 1 1 A 60 60 GLY HA3 H 60 3.799 4.173 -0.374 1
1 397 . 13 1 1 A 60 60 GLY N N 60 109.636 106.379 3.257 1
1 399 . 13 1 1 A 61 61 ASP HA H 61 4.369 4.936 -0.567 1
1 401 . 13 1 1 A 61 61 ASP N N 61 123.255 133.119 -9.864 1
1 402 . 13 1 1 A 62 62 VAL H H 62 8.871 8.755 0.116 1
1 403 . 13 1 1 A 62 62 VAL HA H 62 3.997 5.316 -1.319 1
1 411 . 13 1 1 A 62 62 VAL N N 62 127.998 118.342 9.656 1
1 412 . 13 1 1 A 63 63 GLY H H 63 9.855 8.932 0.923 1
1 415 . 13 1 1 A 63 63 GLY N N 63 109.474 116.849 -7.375 1
1 416 . 13 1 1 A 64 64 GLY H H 64 7.718 8.063 -0.345 1
1 419 . 13 1 1 A 64 64 GLY N N 64 107.373 118.983 -11.610 1
1 420 . 13 1 1 A 65 65 PRO HA H 65 4.004 5.001 -0.997 1
1 423 . 13 1 1 A 66 66 TRP H H 66 8.894 8.534 0.360 1
1 424 . 13 1 1 A 66 66 TRP HA H 66 5.340 4.512 0.828 1
1 433 . 13 1 1 A 66 66 TRP N N 66 122.955 113.358 9.597 1
1 435 . 13 1 1 A 67 67 CYS H H 67 8.673 7.601 1.072 1
1 436 . 13 1 1 A 67 67 CYS HA H 67 4.427 5.181 -0.754 1
1 439 . 13 1 1 A 67 67 CYS N N 67 109.130 122.216 -13.086 1
1 441 . 13 1 1 A 68 68 TYR HA H 68 5.167 4.452 0.715 1
1 448 . 13 1 1 A 68 68 TYR N N 68 121.963 140.873 -18.910 1
1 449 . 13 1 1 A 69 69 THR H H 69 7.813 8.680 -0.867 1
1 450 . 13 1 1 A 69 69 THR HA H 69 5.255 4.206 1.049 1
1 456 . 13 1 1 A 69 69 THR N N 69 111.504 117.810 -6.306 1
1 457 . 13 1 1 A 70 70 THR H H 70 7.778 7.322 0.456 1
1 458 . 13 1 1 A 70 70 THR HA H 70 3.977 4.689 -0.712 1
1 463 . 13 1 1 A 70 70 THR N N 70 105.004 115.444 -10.440 1
1 464 . 13 1 1 A 71 71 ASN H H 71 8.714 8.682 0.032 1
1 465 . 13 1 1 A 71 71 ASN HA H 71 5.035 4.303 0.732 1
1 470 . 13 1 1 A 71 71 ASN N N 71 122.506 120.900 1.606 1
1 472 . 13 1 1 A 72 72 PRO HA H 72 3.766 5.167 -1.401 1
1 476 . 13 1 1 A 73 73 ARG H H 73 8.036 8.523 -0.487 1
1 477 . 13 1 1 A 73 73 ARG HA H 73 4.384 4.795 -0.411 1
1 482 . 13 1 1 A 73 73 ARG N N 73 113.053 119.773 -6.720 1
1 484 . 13 1 1 A 74 74 LYS H H 74 7.664 8.794 -1.130 1
1 485 . 13 1 1 A 74 74 LYS HA H 74 4.597 5.009 -0.412 1
1 489 . 13 1 1 A 74 74 LYS N N 74 121.711 118.950 2.761 1
1 490 . 13 1 1 A 75 75 LEU H H 75 8.805 9.433 -0.628 1
1 491 . 13 1 1 A 75 75 LEU HA H 75 2.354 5.273 -2.919 1
1 492 . 13 1 1 A 75 75 LEU N N 75 130.480 120.544 9.936 1
1 493 . 13 1 1 A 76 76 TYR H H 76 7.149 8.904 -1.755 1
1 494 . 13 1 1 A 76 76 TYR HA H 76 5.410 5.038 0.372 1
1 499 . 13 1 1 A 76 76 TYR N N 76 107.886 123.594 -15.708 1
1 500 . 13 1 1 A 77 77 ASP H H 77 8.557 8.573 -0.016 1
1 501 . 13 1 1 A 77 77 ASP HA H 77 4.095 4.684 -0.589 1
1 504 . 13 1 1 A 77 77 ASP N N 77 116.171 125.126 -8.955 1
1 506 . 13 1 1 A 78 78 TYR HA H 78 4.577 4.482 0.095 1
1 513 . 13 1 1 A 78 78 TYR N N 78 118.199 141.204 -23.005 1
1 514 . 13 1 1 A 79 79 CYS H H 79 8.718 8.454 0.264 1
1 515 . 13 1 1 A 79 79 CYS HA H 79 4.758 4.267 0.491 1
1 518 . 13 1 1 A 79 79 CYS N N 79 116.747 120.795 -4.048 1
1 519 . 13 1 1 A 80 80 ASP H H 80 9.093 9.561 -0.468 1
1 520 . 13 1 1 A 80 80 ASP HA H 80 4.568 4.174 0.394 1
1 523 . 13 1 1 A 80 80 ASP N N 80 122.193 125.749 -3.556 1
1 524 . 13 1 1 A 81 81 VAL H H 81 7.782 7.210 0.572 1
1 525 . 13 1 1 A 81 81 VAL HA H 81 4.102 4.401 -0.299 1
1 533 . 13 1 1 A 81 81 VAL N N 81 123.869 121.781 2.088 1
1 5 . 14 1 1 A 2 2 ASN H H 2 8.147 8.606 -0.459 1
1 6 . 14 1 1 A 2 2 ASN HA H 2 4.619 5.352 -0.733 1
1 10 . 14 1 1 A 2 2 ASN N N 2 117.923 120.449 -2.526 1
1 12 . 14 1 1 A 3 3 ALA H H 3 8.340 9.050 -0.710 1
1 13 . 14 1 1 A 3 3 ALA HA H 3 4.234 5.265 -1.031 1
1 17 . 14 1 1 A 3 3 ALA N N 3 124.095 120.559 3.536 1
1 18 . 14 1 1 A 4 4 ASP H H 4 8.408 9.564 -1.156 1
1 22 . 14 1 1 A 4 4 ASP N N 4 120.996 114.631 6.365 1
1 23 . 14 1 1 A 5 5 CYS H H 5 8.035 8.800 -0.765 1
1 24 . 14 1 1 A 5 5 CYS HA H 5 4.947 4.870 0.077 1
1 26 . 14 1 1 A 5 5 CYS N N 5 118.050 124.961 -6.911 1
1 27 . 14 1 1 A 6 6 MET H H 6 9.169 7.674 1.495 1
1 31 . 14 1 1 A 6 6 MET N N 6 117.506 107.345 10.161 1
1 32 . 14 1 1 A 7 7 PHE H H 7 9.290 8.516 0.774 1
1 33 . 14 1 1 A 7 7 PHE HA H 7 4.961 4.274 0.687 1
1 41 . 14 1 1 A 7 7 PHE N N 7 119.609 120.231 -0.622 1
1 42 . 14 1 1 A 8 8 GLY H H 8 9.314 8.044 1.270 1
1 43 . 14 1 1 A 8 8 GLY HA2 H 8 3.817 3.932 -0.115 1
1 44 . 14 1 1 A 8 8 GLY HA3 H 8 4.038 3.962 0.076 1
1 45 . 14 1 1 A 8 8 GLY N N 8 115.285 107.737 7.548 1
1 46 . 14 1 1 A 9 9 ASN H H 9 8.563 7.862 0.701 1
1 47 . 14 1 1 A 9 9 ASN HA H 9 4.788 4.724 0.064 1
1 52 . 14 1 1 A 9 9 ASN N N 9 121.190 121.828 -0.638 1
1 54 . 14 1 1 A 10 10 GLY H H 10 8.650 8.526 0.124 1
1 57 . 14 1 1 A 10 10 GLY N N 10 104.975 128.597 -23.622 1
1 58 . 14 1 1 A 11 11 LYS H H 11 8.616 7.549 1.067 1
1 63 . 14 1 1 A 11 11 LYS N N 11 124.787 108.362 16.425 1
1 64 . 14 1 1 A 12 12 GLY H H 12 8.674 8.424 0.250 1
1 67 . 14 1 1 A 12 12 GLY N N 12 102.671 116.331 -13.660 1
1 68 . 14 1 1 A 13 13 TYR H H 13 7.632 7.829 -0.197 1
1 69 . 14 1 1 A 13 13 TYR HA H 13 4.456 4.459 -0.003 1
1 76 . 14 1 1 A 13 13 TYR N N 13 120.588 120.775 -0.187 1
1 77 . 14 1 1 A 14 14 ARG H H 14 9.249 8.924 0.325 1
1 78 . 14 1 1 A 14 14 ARG HA H 14 4.109 4.636 -0.527 1
1 82 . 14 1 1 A 14 14 ARG N N 14 131.346 117.425 13.921 1
1 84 . 14 1 1 A 15 15 GLY H H 15 4.280 7.566 -3.286 1
1 87 . 14 1 1 A 15 15 GLY N N 15 104.876 115.824 -10.948 1
1 88 . 14 1 1 A 16 16 LYS H H 16 8.781 9.180 -0.399 1
1 89 . 14 1 1 A 16 16 LYS HA H 16 4.167 4.580 -0.413 1
1 95 . 14 1 1 A 16 16 LYS N N 16 116.399 117.837 -1.438 1
1 96 . 14 1 1 A 17 17 ARG H H 17 7.493 9.297 -1.804 1
1 97 . 14 1 1 A 17 17 ARG HA H 17 4.360 3.879 0.481 1
1 104 . 14 1 1 A 17 17 ARG N N 17 121.452 118.083 3.369 1
1 106 . 14 1 1 A 18 18 VAL H H 18 8.298 7.329 0.969 1
1 107 . 14 1 1 A 18 18 VAL HA H 18 5.005 4.422 0.583 1
1 115 . 14 1 1 A 18 18 VAL N N 18 113.240 111.150 2.090 1
1 116 . 14 1 1 A 19 19 THR H H 19 7.209 7.937 -0.728 1
1 122 . 14 1 1 A 19 19 THR N N 19 111.368 112.019 -0.651 1
1 123 . 14 1 1 A 20 20 THR H H 20 8.518 7.690 0.828 1
1 124 . 14 1 1 A 20 20 THR HA H 20 4.605 4.366 0.239 1
1 129 . 14 1 1 A 20 20 THR N N 20 110.279 117.093 -6.814 1
1 131 . 14 1 1 A 21 21 VAL HA H 21 4.049 4.489 -0.440 1
1 139 . 14 1 1 A 21 21 VAL N N 21 116.629 141.933 -25.304 1
1 140 . 14 1 1 A 22 22 THR H H 22 7.376 8.648 -1.272 1
1 141 . 14 1 1 A 22 22 THR HA H 22 4.521 4.703 -0.182 1
1 145 . 14 1 1 A 22 22 THR N N 22 108.221 122.185 -13.964 1
1 146 . 14 1 1 A 23 23 GLY H H 23 8.345 9.154 -0.809 1
1 149 . 14 1 1 A 23 23 GLY N N 23 110.656 124.392 -13.736 1
1 150 . 14 1 1 A 24 24 THR H H 24 7.330 8.716 -1.386 1
1 151 . 14 1 1 A 24 24 THR HA H 24 4.419 5.046 -0.627 1
1 156 . 14 1 1 A 24 24 THR N N 24 119.053 123.026 -3.973 1
1 157 . 14 1 1 A 25 25 PRO HA H 25 4.601 4.724 -0.123 1
1 161 . 14 1 1 A 26 26 CYS H H 26 8.451 7.726 0.725 1
1 162 . 14 1 1 A 26 26 CYS HA H 26 4.715 4.284 0.431 1
1 165 . 14 1 1 A 26 26 CYS N N 26 123.739 120.856 2.883 1
1 166 . 14 1 1 A 27 27 GLN H H 27 9.557 8.257 1.300 1
1 167 . 14 1 1 A 27 27 GLN HA H 27 3.946 4.512 -0.566 1
1 174 . 14 1 1 A 27 27 GLN N N 27 126.620 120.313 6.307 1
1 176 . 14 1 1 A 28 28 ASP H H 28 8.849 8.796 0.053 1
1 177 . 14 1 1 A 28 28 ASP HA H 28 4.419 4.755 -0.336 1
1 180 . 14 1 1 A 28 28 ASP N N 28 126.815 118.947 7.868 1
1 181 . 14 1 1 A 29 29 TRP H H 29 7.982 7.701 0.281 1
1 182 . 14 1 1 A 29 29 TRP HA H 29 4.198 4.781 -0.583 1
1 191 . 14 1 1 A 29 29 TRP N N 29 123.876 118.145 5.731 1
1 194 . 14 1 1 A 30 30 ALA HA H 30 4.334 4.504 -0.170 1
1 198 . 14 1 1 A 30 30 ALA N N 30 114.831 137.566 -22.735 1
1 199 . 14 1 1 A 31 31 ALA H H 31 7.855 7.567 0.288 1
1 200 . 14 1 1 A 31 31 ALA HA H 31 4.604 5.053 -0.449 1
1 204 . 14 1 1 A 31 31 ALA N N 31 119.366 118.730 0.636 1
1 205 . 14 1 1 A 32 32 GLN H H 32 6.836 8.605 -1.769 1
1 206 . 14 1 1 A 32 32 GLN HA H 32 4.254 4.247 0.007 1
1 213 . 14 1 1 A 32 32 GLN N N 32 115.145 123.416 -8.271 1
1 215 . 14 1 1 A 33 33 GLU H H 33 8.729 8.740 -0.011 1
1 216 . 14 1 1 A 33 33 GLU HA H 33 4.464 5.113 -0.649 1
1 221 . 14 1 1 A 33 33 GLU N N 33 118.546 117.809 0.737 1
1 222 . 14 1 1 A 34 34 PRO HA H 34 4.507 4.316 0.191 1
1 226 . 14 1 1 A 35 35 HIS H H 35 9.736 7.412 2.324 1
1 227 . 14 1 1 A 35 35 HIS HA H 35 4.861 4.435 0.426 1
1 230 . 14 1 1 A 35 35 HIS N N 35 117.871 117.351 0.520 1
1 231 . 14 1 1 A 36 36 ARG H H 36 9.255 7.839 1.416 1
1 232 . 14 1 1 A 36 36 ARG HA H 36 4.368 4.803 -0.435 1
1 234 . 14 1 1 A 36 36 ARG N N 36 119.886 119.103 0.783 1
1 235 . 14 1 1 A 37 37 HIS H H 37 8.487 8.103 0.384 1
1 236 . 14 1 1 A 37 37 HIS HA H 37 4.969 5.132 -0.163 1
1 242 . 14 1 1 A 37 37 HIS N N 37 118.654 110.271 8.383 1
1 245 . 14 1 1 A 38 38 SER HA H 38 4.516 4.402 0.114 1
1 248 . 14 1 1 A 38 38 SER N N 38 126.261 136.698 -10.437 1
1 249 . 14 1 1 A 39 39 ILE H H 39 8.191 8.333 -0.142 1
1 250 . 14 1 1 A 39 39 ILE HA H 39 5.197 4.168 1.029 1
1 259 . 14 1 1 A 39 39 ILE N N 39 106.468 117.354 -10.886 1
1 260 . 14 1 1 A 40 40 PHE H H 40 8.158 7.558 0.600 1
1 261 . 14 1 1 A 40 40 PHE HA H 40 4.099 4.369 -0.270 1
1 269 . 14 1 1 A 40 40 PHE N N 40 116.320 110.747 5.573 1
1 270 . 14 1 1 A 41 41 THR H H 41 7.254 7.991 -0.737 1
1 271 . 14 1 1 A 41 41 THR HA H 41 4.503 5.256 -0.753 1
1 273 . 14 1 1 A 41 41 THR N N 41 113.915 119.647 -5.732 1
1 274 . 14 1 1 A 42 42 PRO HA H 42 4.166 4.527 -0.361 1
1 280 . 14 1 1 A 43 43 GLU H H 43 7.824 8.297 -0.473 1
1 281 . 14 1 1 A 43 43 GLU HA H 43 4.161 4.592 -0.431 1
1 284 . 14 1 1 A 43 43 GLU N N 43 112.032 117.237 -5.205 1
1 285 . 14 1 1 A 44 44 THR H H 44 7.859 7.507 0.352 1
1 286 . 14 1 1 A 44 44 THR HA H 44 4.213 4.356 -0.143 1
1 287 . 14 1 1 A 44 44 THR N N 44 109.971 120.886 -10.915 1
1 288 . 14 1 1 A 45 45 ASN H H 45 7.828 7.952 -0.124 1
1 294 . 14 1 1 A 45 45 ASN N N 45 118.292 107.825 10.467 1
1 299 . 14 1 1 A 47 47 ARG H H 47 8.778 8.129 0.649 1
1 300 . 14 1 1 A 47 47 ARG HA H 47 4.594 4.644 -0.050 1
1 307 . 14 1 1 A 47 47 ARG N N 47 117.742 124.477 -6.735 1
1 309 . 14 1 1 A 48 48 ALA H H 48 7.139 9.014 -1.875 1
1 310 . 14 1 1 A 48 48 ALA HA H 48 4.439 3.963 0.476 1
1 314 . 14 1 1 A 48 48 ALA N N 48 119.525 118.726 0.799 1
1 315 . 14 1 1 A 49 49 GLY H H 49 8.256 8.247 0.009 1
1 318 . 14 1 1 A 49 49 GLY N N 49 108.423 121.915 -13.492 1
1 319 . 14 1 1 A 50 50 LEU H H 50 9.144 7.673 1.471 1
1 320 . 14 1 1 A 50 50 LEU HA H 50 3.268 4.807 -1.539 1
1 330 . 14 1 1 A 50 50 LEU N N 50 121.605 121.419 0.186 1
1 331 . 14 1 1 A 51 51 GLU H H 51 7.651 9.404 -1.753 1
1 332 . 14 1 1 A 51 51 GLU HA H 51 4.504 4.952 -0.448 1
1 335 . 14 1 1 A 51 51 GLU N N 51 124.470 123.134 1.336 1
1 336 . 14 1 1 A 52 52 LYS H H 52 8.878 8.834 0.044 1
1 337 . 14 1 1 A 52 52 LYS HA H 52 3.618 5.051 -1.433 1
1 341 . 14 1 1 A 52 52 LYS N N 52 118.010 122.063 -4.053 1
1 342 . 14 1 1 A 53 53 ASN H H 53 7.874 8.315 -0.441 1
1 343 . 14 1 1 A 53 53 ASN HA H 53 4.574 5.210 -0.636 1
1 348 . 14 1 1 A 53 53 ASN N N 53 122.833 119.822 3.011 1
1 351 . 14 1 1 A 54 54 TYR HA H 54 4.992 4.383 0.609 1
1 358 . 14 1 1 A 54 54 TYR N N 54 112.865 138.797 -25.932 1
1 359 . 14 1 1 A 55 55 CYS H H 55 8.917 8.087 0.830 1
1 360 . 14 1 1 A 55 55 CYS HA H 55 4.488 4.801 -0.313 1
1 363 . 14 1 1 A 55 55 CYS N N 55 118.745 115.732 3.013 1
1 364 . 14 1 1 A 56 56 ARG H H 56 9.470 7.992 1.478 1
1 372 . 14 1 1 A 56 56 ARG N N 56 123.525 109.085 14.440 1
1 374 . 14 1 1 A 57 57 ASN H H 57 8.417 8.274 0.143 1
1 375 . 14 1 1 A 57 57 ASN HA H 57 5.540 4.603 0.937 1
1 380 . 14 1 1 A 57 57 ASN N N 57 113.293 119.324 -6.031 1
1 382 . 14 1 1 A 58 58 PRO HA H 58 4.454 4.234 0.220 1
1 389 . 14 1 1 A 59 59 ASP H H 59 9.547 8.786 0.761 1
1 393 . 14 1 1 A 59 59 ASP N N 59 114.552 111.886 2.666 1
1 394 . 14 1 1 A 60 60 GLY H H 60 7.436 7.438 -0.002 1
1 395 . 14 1 1 A 60 60 GLY HA2 H 60 3.311 4.135 -0.824 1
1 396 . 14 1 1 A 60 60 GLY HA3 H 60 3.799 4.137 -0.338 1
1 397 . 14 1 1 A 60 60 GLY N N 60 109.636 107.092 2.544 1
1 399 . 14 1 1 A 61 61 ASP HA H 61 4.369 4.937 -0.568 1
1 401 . 14 1 1 A 61 61 ASP N N 61 123.255 133.610 -10.355 1
1 402 . 14 1 1 A 62 62 VAL H H 62 8.871 9.245 -0.374 1
1 403 . 14 1 1 A 62 62 VAL HA H 62 3.997 5.341 -1.344 1
1 411 . 14 1 1 A 62 62 VAL N N 62 127.998 118.629 9.369 1
1 412 . 14 1 1 A 63 63 GLY H H 63 9.855 8.890 0.965 1
1 415 . 14 1 1 A 63 63 GLY N N 63 109.474 116.957 -7.483 1
1 416 . 14 1 1 A 64 64 GLY H H 64 7.718 8.083 -0.365 1
1 419 . 14 1 1 A 64 64 GLY N N 64 107.373 119.194 -11.821 1
1 420 . 14 1 1 A 65 65 PRO HA H 65 4.004 4.975 -0.971 1
1 423 . 14 1 1 A 66 66 TRP H H 66 8.894 8.664 0.230 1
1 424 . 14 1 1 A 66 66 TRP HA H 66 5.340 4.504 0.836 1
1 433 . 14 1 1 A 66 66 TRP N N 66 122.955 113.252 9.703 1
1 435 . 14 1 1 A 67 67 CYS H H 67 8.673 7.783 0.890 1
1 436 . 14 1 1 A 67 67 CYS HA H 67 4.427 5.093 -0.666 1
1 439 . 14 1 1 A 67 67 CYS N N 67 109.130 122.619 -13.489 1
1 441 . 14 1 1 A 68 68 TYR HA H 68 5.167 4.442 0.725 1
1 448 . 14 1 1 A 68 68 TYR N N 68 121.963 142.013 -20.050 1
1 449 . 14 1 1 A 69 69 THR H H 69 7.813 8.574 -0.761 1
1 450 . 14 1 1 A 69 69 THR HA H 69 5.255 4.241 1.014 1
1 456 . 14 1 1 A 69 69 THR N N 69 111.504 117.719 -6.215 1
1 457 . 14 1 1 A 70 70 THR H H 70 7.778 7.529 0.249 1
1 458 . 14 1 1 A 70 70 THR HA H 70 3.977 4.833 -0.856 1
1 463 . 14 1 1 A 70 70 THR N N 70 105.004 115.396 -10.392 1
1 464 . 14 1 1 A 71 71 ASN H H 71 8.714 8.658 0.056 1
1 465 . 14 1 1 A 71 71 ASN HA H 71 5.035 4.412 0.623 1
1 470 . 14 1 1 A 71 71 ASN N N 71 122.506 120.405 2.101 1
1 472 . 14 1 1 A 72 72 PRO HA H 72 3.766 5.174 -1.408 1
1 476 . 14 1 1 A 73 73 ARG H H 73 8.036 8.668 -0.632 1
1 477 . 14 1 1 A 73 73 ARG HA H 73 4.384 4.975 -0.591 1
1 482 . 14 1 1 A 73 73 ARG N N 73 113.053 120.069 -7.016 1
1 484 . 14 1 1 A 74 74 LYS H H 74 7.664 8.850 -1.186 1
1 485 . 14 1 1 A 74 74 LYS HA H 74 4.597 5.012 -0.415 1
1 489 . 14 1 1 A 74 74 LYS N N 74 121.711 119.111 2.600 1
1 490 . 14 1 1 A 75 75 LEU H H 75 8.805 9.460 -0.655 1
1 491 . 14 1 1 A 75 75 LEU HA H 75 2.354 5.279 -2.925 1
1 492 . 14 1 1 A 75 75 LEU N N 75 130.480 120.428 10.052 1
1 493 . 14 1 1 A 76 76 TYR H H 76 7.149 8.917 -1.768 1
1 494 . 14 1 1 A 76 76 TYR HA H 76 5.410 4.979 0.431 1
1 499 . 14 1 1 A 76 76 TYR N N 76 107.886 123.587 -15.701 1
1 500 . 14 1 1 A 77 77 ASP H H 77 8.557 8.446 0.111 1
1 501 . 14 1 1 A 77 77 ASP HA H 77 4.095 4.638 -0.543 1
1 504 . 14 1 1 A 77 77 ASP N N 77 116.171 124.287 -8.116 1
1 506 . 14 1 1 A 78 78 TYR HA H 78 4.577 4.477 0.100 1
1 513 . 14 1 1 A 78 78 TYR N N 78 118.199 141.444 -23.245 1
1 514 . 14 1 1 A 79 79 CYS H H 79 8.718 8.469 0.249 1
1 515 . 14 1 1 A 79 79 CYS HA H 79 4.758 4.401 0.357 1
1 518 . 14 1 1 A 79 79 CYS N N 79 116.747 120.809 -4.062 1
1 519 . 14 1 1 A 80 80 ASP H H 80 9.093 9.635 -0.542 1
1 520 . 14 1 1 A 80 80 ASP HA H 80 4.568 4.195 0.373 1
1 523 . 14 1 1 A 80 80 ASP N N 80 122.193 125.665 -3.472 1
1 524 . 14 1 1 A 81 81 VAL H H 81 7.782 7.164 0.618 1
1 525 . 14 1 1 A 81 81 VAL HA H 81 4.102 4.521 -0.419 1
1 533 . 14 1 1 A 81 81 VAL N N 81 123.869 120.872 2.997 1
1 5 . 15 1 1 A 2 2 ASN H H 2 8.147 8.464 -0.317 1
1 6 . 15 1 1 A 2 2 ASN HA H 2 4.619 5.289 -0.670 1
1 10 . 15 1 1 A 2 2 ASN N N 2 117.923 119.701 -1.778 1
1 12 . 15 1 1 A 3 3 ALA H H 3 8.340 9.013 -0.673 1
1 13 . 15 1 1 A 3 3 ALA HA H 3 4.234 5.095 -0.861 1
1 17 . 15 1 1 A 3 3 ALA N N 3 124.095 120.532 3.563 1
1 18 . 15 1 1 A 4 4 ASP H H 4 8.408 9.634 -1.226 1
1 22 . 15 1 1 A 4 4 ASP N N 4 120.996 114.948 6.048 1
1 23 . 15 1 1 A 5 5 CYS H H 5 8.035 8.872 -0.837 1
1 24 . 15 1 1 A 5 5 CYS HA H 5 4.947 4.739 0.208 1
1 26 . 15 1 1 A 5 5 CYS N N 5 118.050 125.074 -7.024 1
1 27 . 15 1 1 A 6 6 MET H H 6 9.169 7.942 1.227 1
1 31 . 15 1 1 A 6 6 MET N N 6 117.506 107.149 10.357 1
1 32 . 15 1 1 A 7 7 PHE H H 7 9.290 8.541 0.749 1
1 33 . 15 1 1 A 7 7 PHE HA H 7 4.961 4.252 0.709 1
1 41 . 15 1 1 A 7 7 PHE N N 7 119.609 120.378 -0.769 1
1 42 . 15 1 1 A 8 8 GLY H H 8 9.314 8.065 1.249 1
1 43 . 15 1 1 A 8 8 GLY HA2 H 8 3.817 3.972 -0.155 1
1 44 . 15 1 1 A 8 8 GLY HA3 H 8 4.038 3.977 0.061 1
1 45 . 15 1 1 A 8 8 GLY N N 8 115.285 107.854 7.431 1
1 46 . 15 1 1 A 9 9 ASN H H 9 8.563 7.879 0.684 1
1 47 . 15 1 1 A 9 9 ASN HA H 9 4.788 4.685 0.103 1
1 52 . 15 1 1 A 9 9 ASN N N 9 121.190 122.030 -0.840 1
1 54 . 15 1 1 A 10 10 GLY H H 10 8.650 8.897 -0.247 1
1 57 . 15 1 1 A 10 10 GLY N N 10 104.975 128.231 -23.256 1
1 58 . 15 1 1 A 11 11 LYS H H 11 8.616 7.265 1.351 1
1 63 . 15 1 1 A 11 11 LYS N N 11 124.787 108.238 16.549 1
1 64 . 15 1 1 A 12 12 GLY H H 12 8.674 9.221 -0.547 1
1 67 . 15 1 1 A 12 12 GLY N N 12 102.671 115.990 -13.319 1
1 68 . 15 1 1 A 13 13 TYR H H 13 7.632 7.770 -0.138 1
1 69 . 15 1 1 A 13 13 TYR HA H 13 4.456 4.457 -0.001 1
1 76 . 15 1 1 A 13 13 TYR N N 13 120.588 120.607 -0.019 1
1 77 . 15 1 1 A 14 14 ARG H H 14 9.249 8.923 0.326 1
1 78 . 15 1 1 A 14 14 ARG HA H 14 4.109 4.559 -0.450 1
1 82 . 15 1 1 A 14 14 ARG N N 14 131.346 117.364 13.982 1
1 84 . 15 1 1 A 15 15 GLY H H 15 4.280 7.560 -3.280 1
1 87 . 15 1 1 A 15 15 GLY N N 15 104.876 115.943 -11.067 1
1 88 . 15 1 1 A 16 16 LYS H H 16 8.781 9.118 -0.337 1
1 89 . 15 1 1 A 16 16 LYS HA H 16 4.167 4.588 -0.421 1
1 95 . 15 1 1 A 16 16 LYS N N 16 116.399 118.587 -2.188 1
1 96 . 15 1 1 A 17 17 ARG H H 17 7.493 9.394 -1.901 1
1 97 . 15 1 1 A 17 17 ARG HA H 17 4.360 3.879 0.481 1
1 104 . 15 1 1 A 17 17 ARG N N 17 121.452 118.242 3.210 1
1 106 . 15 1 1 A 18 18 VAL H H 18 8.298 7.272 1.026 1
1 107 . 15 1 1 A 18 18 VAL HA H 18 5.005 4.413 0.592 1
1 115 . 15 1 1 A 18 18 VAL N N 18 113.240 110.998 2.242 1
1 116 . 15 1 1 A 19 19 THR H H 19 7.209 8.030 -0.821 1
1 122 . 15 1 1 A 19 19 THR N N 19 111.368 111.894 -0.526 1
1 123 . 15 1 1 A 20 20 THR H H 20 8.518 7.725 0.793 1
1 124 . 15 1 1 A 20 20 THR HA H 20 4.605 4.349 0.256 1
1 129 . 15 1 1 A 20 20 THR N N 20 110.279 116.982 -6.703 1
1 131 . 15 1 1 A 21 21 VAL HA H 21 4.049 4.710 -0.661 1
1 139 . 15 1 1 A 21 21 VAL N N 21 116.629 142.037 -25.408 1
1 140 . 15 1 1 A 22 22 THR H H 22 7.376 8.666 -1.290 1
1 141 . 15 1 1 A 22 22 THR HA H 22 4.521 4.591 -0.070 1
1 145 . 15 1 1 A 22 22 THR N N 22 108.221 122.289 -14.068 1
1 146 . 15 1 1 A 23 23 GLY H H 23 8.345 9.173 -0.828 1
1 149 . 15 1 1 A 23 23 GLY N N 23 110.656 123.747 -13.091 1
1 150 . 15 1 1 A 24 24 THR H H 24 7.330 8.360 -1.030 1
1 151 . 15 1 1 A 24 24 THR HA H 24 4.419 5.047 -0.628 1
1 156 . 15 1 1 A 24 24 THR N N 24 119.053 123.030 -3.977 1
1 157 . 15 1 1 A 25 25 PRO HA H 25 4.601 4.663 -0.062 1
1 161 . 15 1 1 A 26 26 CYS H H 26 8.451 7.798 0.653 1
1 162 . 15 1 1 A 26 26 CYS HA H 26 4.715 4.254 0.461 1
1 165 . 15 1 1 A 26 26 CYS N N 26 123.739 120.666 3.073 1
1 166 . 15 1 1 A 27 27 GLN H H 27 9.557 7.972 1.585 1
1 167 . 15 1 1 A 27 27 GLN HA H 27 3.946 4.345 -0.399 1
1 174 . 15 1 1 A 27 27 GLN N N 27 126.620 120.522 6.098 1
1 176 . 15 1 1 A 28 28 ASP H H 28 8.849 8.788 0.061 1
1 177 . 15 1 1 A 28 28 ASP HA H 28 4.419 4.824 -0.405 1
1 180 . 15 1 1 A 28 28 ASP N N 28 126.815 119.519 7.296 1
1 181 . 15 1 1 A 29 29 TRP H H 29 7.982 7.788 0.194 1
1 182 . 15 1 1 A 29 29 TRP HA H 29 4.198 4.751 -0.553 1
1 191 . 15 1 1 A 29 29 TRP N N 29 123.876 118.299 5.577 1
1 194 . 15 1 1 A 30 30 ALA HA H 30 4.334 4.561 -0.227 1
1 198 . 15 1 1 A 30 30 ALA N N 30 114.831 137.793 -22.962 1
1 199 . 15 1 1 A 31 31 ALA H H 31 7.855 7.553 0.302 1
1 200 . 15 1 1 A 31 31 ALA HA H 31 4.604 5.022 -0.418 1
1 204 . 15 1 1 A 31 31 ALA N N 31 119.366 118.771 0.595 1
1 205 . 15 1 1 A 32 32 GLN H H 32 6.836 8.586 -1.750 1
1 206 . 15 1 1 A 32 32 GLN HA H 32 4.254 4.281 -0.027 1
1 213 . 15 1 1 A 32 32 GLN N N 32 115.145 123.530 -8.385 1
1 215 . 15 1 1 A 33 33 GLU H H 33 8.729 8.813 -0.084 1
1 216 . 15 1 1 A 33 33 GLU HA H 33 4.464 5.157 -0.693 1
1 221 . 15 1 1 A 33 33 GLU N N 33 118.546 116.519 2.027 1
1 222 . 15 1 1 A 34 34 PRO HA H 34 4.507 4.344 0.163 1
1 226 . 15 1 1 A 35 35 HIS H H 35 9.736 7.401 2.335 1
1 227 . 15 1 1 A 35 35 HIS HA H 35 4.861 4.460 0.401 1
1 230 . 15 1 1 A 35 35 HIS N N 35 117.871 118.062 -0.191 1
1 231 . 15 1 1 A 36 36 ARG H H 36 9.255 7.881 1.374 1
1 232 . 15 1 1 A 36 36 ARG HA H 36 4.368 4.771 -0.403 1
1 234 . 15 1 1 A 36 36 ARG N N 36 119.886 119.092 0.794 1
1 235 . 15 1 1 A 37 37 HIS H H 37 8.487 8.122 0.365 1
1 236 . 15 1 1 A 37 37 HIS HA H 37 4.969 5.083 -0.114 1
1 242 . 15 1 1 A 37 37 HIS N N 37 118.654 110.262 8.392 1
1 245 . 15 1 1 A 38 38 SER HA H 38 4.516 4.282 0.234 1
1 248 . 15 1 1 A 38 38 SER N N 38 126.261 136.816 -10.555 1
1 249 . 15 1 1 A 39 39 ILE H H 39 8.191 8.353 -0.162 1
1 250 . 15 1 1 A 39 39 ILE HA H 39 5.197 4.168 1.029 1
1 259 . 15 1 1 A 39 39 ILE N N 39 106.468 117.400 -10.932 1
1 260 . 15 1 1 A 40 40 PHE H H 40 8.158 7.664 0.494 1
1 261 . 15 1 1 A 40 40 PHE HA H 40 4.099 4.268 -0.169 1
1 269 . 15 1 1 A 40 40 PHE N N 40 116.320 111.312 5.008 1
1 270 . 15 1 1 A 41 41 THR H H 41 7.254 7.895 -0.641 1
1 271 . 15 1 1 A 41 41 THR HA H 41 4.503 5.225 -0.722 1
1 273 . 15 1 1 A 41 41 THR N N 41 113.915 119.891 -5.976 1
1 274 . 15 1 1 A 42 42 PRO HA H 42 4.166 4.455 -0.289 1
1 280 . 15 1 1 A 43 43 GLU H H 43 7.824 8.366 -0.542 1
1 281 . 15 1 1 A 43 43 GLU HA H 43 4.161 4.403 -0.242 1
1 284 . 15 1 1 A 43 43 GLU N N 43 112.032 117.359 -5.327 1
1 285 . 15 1 1 A 44 44 THR H H 44 7.859 7.496 0.363 1
1 286 . 15 1 1 A 44 44 THR HA H 44 4.213 4.391 -0.178 1
1 287 . 15 1 1 A 44 44 THR N N 44 109.971 120.742 -10.771 1
1 288 . 15 1 1 A 45 45 ASN H H 45 7.828 8.046 -0.218 1
1 294 . 15 1 1 A 45 45 ASN N N 45 118.292 107.942 10.350 1
1 299 . 15 1 1 A 47 47 ARG H H 47 8.778 8.037 0.741 1
1 300 . 15 1 1 A 47 47 ARG HA H 47 4.594 4.917 -0.323 1
1 307 . 15 1 1 A 47 47 ARG N N 47 117.742 125.148 -7.406 1
1 309 . 15 1 1 A 48 48 ALA H H 48 7.139 8.947 -1.808 1
1 310 . 15 1 1 A 48 48 ALA HA H 48 4.439 4.030 0.409 1
1 314 . 15 1 1 A 48 48 ALA N N 48 119.525 119.803 -0.278 1
1 315 . 15 1 1 A 49 49 GLY H H 49 8.256 8.123 0.133 1
1 318 . 15 1 1 A 49 49 GLY N N 49 108.423 122.060 -13.637 1
1 319 . 15 1 1 A 50 50 LEU H H 50 9.144 7.372 1.772 1
1 320 . 15 1 1 A 50 50 LEU HA H 50 3.268 4.792 -1.524 1
1 330 . 15 1 1 A 50 50 LEU N N 50 121.605 121.350 0.255 1
1 331 . 15 1 1 A 51 51 GLU H H 51 7.651 9.486 -1.835 1
1 332 . 15 1 1 A 51 51 GLU HA H 51 4.504 4.916 -0.412 1
1 335 . 15 1 1 A 51 51 GLU N N 51 124.470 123.059 1.411 1
1 336 . 15 1 1 A 52 52 LYS H H 52 8.878 8.701 0.177 1
1 337 . 15 1 1 A 52 52 LYS HA H 52 3.618 5.072 -1.454 1
1 341 . 15 1 1 A 52 52 LYS N N 52 118.010 123.145 -5.135 1
1 342 . 15 1 1 A 53 53 ASN H H 53 7.874 8.316 -0.442 1
1 343 . 15 1 1 A 53 53 ASN HA H 53 4.574 5.332 -0.758 1
1 348 . 15 1 1 A 53 53 ASN N N 53 122.833 120.327 2.506 1
1 351 . 15 1 1 A 54 54 TYR HA H 54 4.992 4.421 0.571 1
1 358 . 15 1 1 A 54 54 TYR N N 54 112.865 138.825 -25.960 1
1 359 . 15 1 1 A 55 55 CYS H H 55 8.917 8.142 0.775 1
1 360 . 15 1 1 A 55 55 CYS HA H 55 4.488 4.841 -0.353 1
1 363 . 15 1 1 A 55 55 CYS N N 55 118.745 115.979 2.766 1
1 364 . 15 1 1 A 56 56 ARG H H 56 9.470 7.911 1.559 1
1 372 . 15 1 1 A 56 56 ARG N N 56 123.525 108.439 15.086 1
1 374 . 15 1 1 A 57 57 ASN H H 57 8.417 8.325 0.092 1
1 375 . 15 1 1 A 57 57 ASN HA H 57 5.540 4.612 0.928 1
1 380 . 15 1 1 A 57 57 ASN N N 57 113.293 120.811 -7.518 1
1 382 . 15 1 1 A 58 58 PRO HA H 58 4.454 4.116 0.338 1
1 389 . 15 1 1 A 59 59 ASP H H 59 9.547 7.940 1.607 1
1 393 . 15 1 1 A 59 59 ASP N N 59 114.552 109.846 4.706 1
1 394 . 15 1 1 A 60 60 GLY H H 60 7.436 7.535 -0.099 1
1 395 . 15 1 1 A 60 60 GLY HA2 H 60 3.311 4.154 -0.843 1
1 396 . 15 1 1 A 60 60 GLY HA3 H 60 3.799 4.160 -0.361 1
1 397 . 15 1 1 A 60 60 GLY N N 60 109.636 106.822 2.814 1
1 399 . 15 1 1 A 61 61 ASP HA H 61 4.369 4.913 -0.544 1
1 401 . 15 1 1 A 61 61 ASP N N 61 123.255 133.116 -9.861 1
1 402 . 15 1 1 A 62 62 VAL H H 62 8.871 8.670 0.201 1
1 403 . 15 1 1 A 62 62 VAL HA H 62 3.997 5.176 -1.179 1
1 411 . 15 1 1 A 62 62 VAL N N 62 127.998 118.078 9.920 1
1 412 . 15 1 1 A 63 63 GLY H H 63 9.855 8.929 0.926 1
1 415 . 15 1 1 A 63 63 GLY N N 63 109.474 116.800 -7.326 1
1 416 . 15 1 1 A 64 64 GLY H H 64 7.718 8.102 -0.384 1
1 419 . 15 1 1 A 64 64 GLY N N 64 107.373 119.004 -11.631 1
1 420 . 15 1 1 A 65 65 PRO HA H 65 4.004 4.958 -0.954 1
1 423 . 15 1 1 A 66 66 TRP H H 66 8.894 8.544 0.350 1
1 424 . 15 1 1 A 66 66 TRP HA H 66 5.340 4.405 0.935 1
1 433 . 15 1 1 A 66 66 TRP N N 66 122.955 113.540 9.415 1
1 435 . 15 1 1 A 67 67 CYS H H 67 8.673 7.669 1.004 1
1 436 . 15 1 1 A 67 67 CYS HA H 67 4.427 5.060 -0.633 1
1 439 . 15 1 1 A 67 67 CYS N N 67 109.130 122.784 -13.654 1
1 441 . 15 1 1 A 68 68 TYR HA H 68 5.167 4.534 0.633 1
1 448 . 15 1 1 A 68 68 TYR N N 68 121.963 141.446 -19.483 1
1 449 . 15 1 1 A 69 69 THR H H 69 7.813 8.630 -0.817 1
1 450 . 15 1 1 A 69 69 THR HA H 69 5.255 4.226 1.029 1
1 456 . 15 1 1 A 69 69 THR N N 69 111.504 117.699 -6.195 1
1 457 . 15 1 1 A 70 70 THR H H 70 7.778 7.097 0.681 1
1 458 . 15 1 1 A 70 70 THR HA H 70 3.977 4.788 -0.811 1
1 463 . 15 1 1 A 70 70 THR N N 70 105.004 114.863 -9.859 1
1 464 . 15 1 1 A 71 71 ASN H H 71 8.714 8.667 0.047 1
1 465 . 15 1 1 A 71 71 ASN HA H 71 5.035 4.408 0.627 1
1 470 . 15 1 1 A 71 71 ASN N N 71 122.506 120.431 2.075 1
1 472 . 15 1 1 A 72 72 PRO HA H 72 3.766 5.153 -1.387 1
1 476 . 15 1 1 A 73 73 ARG H H 73 8.036 8.578 -0.542 1
1 477 . 15 1 1 A 73 73 ARG HA H 73 4.384 5.005 -0.621 1
1 482 . 15 1 1 A 73 73 ARG N N 73 113.053 119.714 -6.661 1
1 484 . 15 1 1 A 74 74 LYS H H 74 7.664 8.864 -1.200 1
1 485 . 15 1 1 A 74 74 LYS HA H 74 4.597 5.024 -0.427 1
1 489 . 15 1 1 A 74 74 LYS N N 74 121.711 119.254 2.457 1
1 490 . 15 1 1 A 75 75 LEU H H 75 8.805 9.259 -0.454 1
1 491 . 15 1 1 A 75 75 LEU HA H 75 2.354 5.402 -3.048 1
1 492 . 15 1 1 A 75 75 LEU N N 75 130.480 120.162 10.318 1
1 493 . 15 1 1 A 76 76 TYR H H 76 7.149 8.931 -1.782 1
1 494 . 15 1 1 A 76 76 TYR HA H 76 5.410 5.031 0.379 1
1 499 . 15 1 1 A 76 76 TYR N N 76 107.886 123.480 -15.594 1
1 500 . 15 1 1 A 77 77 ASP H H 77 8.557 8.526 0.031 1
1 501 . 15 1 1 A 77 77 ASP HA H 77 4.095 4.623 -0.528 1
1 504 . 15 1 1 A 77 77 ASP N N 77 116.171 125.109 -8.938 1
1 506 . 15 1 1 A 78 78 TYR HA H 78 4.577 4.525 0.052 1
1 513 . 15 1 1 A 78 78 TYR N N 78 118.199 141.377 -23.178 1
1 514 . 15 1 1 A 79 79 CYS H H 79 8.718 8.475 0.243 1
1 515 . 15 1 1 A 79 79 CYS HA H 79 4.758 4.308 0.450 1
1 518 . 15 1 1 A 79 79 CYS N N 79 116.747 120.781 -4.034 1
1 519 . 15 1 1 A 80 80 ASP H H 80 9.093 9.671 -0.578 1
1 520 . 15 1 1 A 80 80 ASP HA H 80 4.568 4.192 0.376 1
1 523 . 15 1 1 A 80 80 ASP N N 80 122.193 125.796 -3.603 1
1 524 . 15 1 1 A 81 81 VAL H H 81 7.782 7.208 0.574 1
1 525 . 15 1 1 A 81 81 VAL HA H 81 4.102 4.447 -0.345 1
1 533 . 15 1 1 A 81 81 VAL N N 81 123.869 121.431 2.438 1
1 5 . 16 1 1 A 2 2 ASN H H 2 8.147 8.758 -0.611 1
1 6 . 16 1 1 A 2 2 ASN HA H 2 4.619 5.329 -0.710 1
1 10 . 16 1 1 A 2 2 ASN N N 2 117.923 120.526 -2.603 1
1 12 . 16 1 1 A 3 3 ALA H H 3 8.340 9.037 -0.697 1
1 13 . 16 1 1 A 3 3 ALA HA H 3 4.234 4.984 -0.750 1
1 17 . 16 1 1 A 3 3 ALA N N 3 124.095 119.968 4.127 1
1 18 . 16 1 1 A 4 4 ASP H H 4 8.408 9.701 -1.293 1
1 22 . 16 1 1 A 4 4 ASP N N 4 120.996 114.853 6.143 1
1 23 . 16 1 1 A 5 5 CYS H H 5 8.035 8.876 -0.841 1
1 24 . 16 1 1 A 5 5 CYS HA H 5 4.947 4.750 0.197 1
1 26 . 16 1 1 A 5 5 CYS N N 5 118.050 125.077 -7.027 1
1 27 . 16 1 1 A 6 6 MET H H 6 9.169 7.602 1.567 1
1 31 . 16 1 1 A 6 6 MET N N 6 117.506 107.088 10.418 1
1 32 . 16 1 1 A 7 7 PHE H H 7 9.290 8.515 0.775 1
1 33 . 16 1 1 A 7 7 PHE HA H 7 4.961 4.305 0.656 1
1 41 . 16 1 1 A 7 7 PHE N N 7 119.609 120.258 -0.649 1
1 42 . 16 1 1 A 8 8 GLY H H 8 9.314 8.056 1.258 1
1 43 . 16 1 1 A 8 8 GLY HA2 H 8 3.817 3.835 -0.018 1
1 44 . 16 1 1 A 8 8 GLY HA3 H 8 4.038 3.904 0.134 1
1 45 . 16 1 1 A 8 8 GLY N N 8 115.285 107.715 7.570 1
1 46 . 16 1 1 A 9 9 ASN H H 9 8.563 7.781 0.782 1
1 47 . 16 1 1 A 9 9 ASN HA H 9 4.788 4.642 0.146 1
1 52 . 16 1 1 A 9 9 ASN N N 9 121.190 121.979 -0.789 1
1 54 . 16 1 1 A 10 10 GLY H H 10 8.650 8.905 -0.255 1
1 57 . 16 1 1 A 10 10 GLY N N 10 104.975 128.451 -23.476 1
1 58 . 16 1 1 A 11 11 LYS H H 11 8.616 7.383 1.233 1
1 63 . 16 1 1 A 11 11 LYS N N 11 124.787 108.499 16.288 1
1 64 . 16 1 1 A 12 12 GLY H H 12 8.674 9.125 -0.451 1
1 67 . 16 1 1 A 12 12 GLY N N 12 102.671 116.018 -13.347 1
1 68 . 16 1 1 A 13 13 TYR H H 13 7.632 7.815 -0.183 1
1 69 . 16 1 1 A 13 13 TYR HA H 13 4.456 4.478 -0.022 1
1 76 . 16 1 1 A 13 13 TYR N N 13 120.588 120.641 -0.053 1
1 77 . 16 1 1 A 14 14 ARG H H 14 9.249 8.961 0.288 1
1 78 . 16 1 1 A 14 14 ARG HA H 14 4.109 4.538 -0.429 1
1 82 . 16 1 1 A 14 14 ARG N N 14 131.346 117.228 14.118 1
1 84 . 16 1 1 A 15 15 GLY H H 15 4.280 7.672 -3.392 1
1 87 . 16 1 1 A 15 15 GLY N N 15 104.876 111.709 -6.833 1
1 88 . 16 1 1 A 16 16 LYS H H 16 8.781 8.955 -0.174 1
1 89 . 16 1 1 A 16 16 LYS HA H 16 4.167 4.614 -0.447 1
1 95 . 16 1 1 A 16 16 LYS N N 16 116.399 114.396 2.003 1
1 96 . 16 1 1 A 17 17 ARG H H 17 7.493 9.246 -1.753 1
1 97 . 16 1 1 A 17 17 ARG HA H 17 4.360 3.881 0.479 1
1 104 . 16 1 1 A 17 17 ARG N N 17 121.452 118.263 3.189 1
1 106 . 16 1 1 A 18 18 VAL H H 18 8.298 7.683 0.615 1
1 107 . 16 1 1 A 18 18 VAL HA H 18 5.005 4.437 0.568 1
1 115 . 16 1 1 A 18 18 VAL N N 18 113.240 111.125 2.115 1
1 116 . 16 1 1 A 19 19 THR H H 19 7.209 8.207 -0.998 1
1 122 . 16 1 1 A 19 19 THR N N 19 111.368 111.605 -0.237 1
1 123 . 16 1 1 A 20 20 THR H H 20 8.518 7.632 0.886 1
1 124 . 16 1 1 A 20 20 THR HA H 20 4.605 4.349 0.256 1
1 129 . 16 1 1 A 20 20 THR N N 20 110.279 117.055 -6.776 1
1 131 . 16 1 1 A 21 21 VAL HA H 21 4.049 4.572 -0.523 1
1 139 . 16 1 1 A 21 21 VAL N N 21 116.629 141.975 -25.346 1
1 140 . 16 1 1 A 22 22 THR H H 22 7.376 8.088 -0.712 1
1 141 . 16 1 1 A 22 22 THR HA H 22 4.521 4.637 -0.116 1
1 145 . 16 1 1 A 22 22 THR N N 22 108.221 122.435 -14.214 1
1 146 . 16 1 1 A 23 23 GLY H H 23 8.345 9.049 -0.704 1
1 149 . 16 1 1 A 23 23 GLY N N 23 110.656 124.315 -13.659 1
1 150 . 16 1 1 A 24 24 THR H H 24 7.330 8.338 -1.008 1
1 151 . 16 1 1 A 24 24 THR HA H 24 4.419 5.055 -0.636 1
1 156 . 16 1 1 A 24 24 THR N N 24 119.053 123.133 -4.080 1
1 157 . 16 1 1 A 25 25 PRO HA H 25 4.601 4.659 -0.058 1
1 161 . 16 1 1 A 26 26 CYS H H 26 8.451 7.832 0.619 1
1 162 . 16 1 1 A 26 26 CYS HA H 26 4.715 4.268 0.447 1
1 165 . 16 1 1 A 26 26 CYS N N 26 123.739 120.725 3.014 1
1 166 . 16 1 1 A 27 27 GLN H H 27 9.557 8.064 1.493 1
1 167 . 16 1 1 A 27 27 GLN HA H 27 3.946 4.357 -0.411 1
1 174 . 16 1 1 A 27 27 GLN N N 27 126.620 120.672 5.948 1
1 176 . 16 1 1 A 28 28 ASP H H 28 8.849 8.810 0.039 1
1 177 . 16 1 1 A 28 28 ASP HA H 28 4.419 4.721 -0.302 1
1 180 . 16 1 1 A 28 28 ASP N N 28 126.815 119.239 7.576 1
1 181 . 16 1 1 A 29 29 TRP H H 29 7.982 7.651 0.331 1
1 182 . 16 1 1 A 29 29 TRP HA H 29 4.198 4.807 -0.609 1
1 191 . 16 1 1 A 29 29 TRP N N 29 123.876 118.415 5.461 1
1 194 . 16 1 1 A 30 30 ALA HA H 30 4.334 4.460 -0.126 1
1 198 . 16 1 1 A 30 30 ALA N N 30 114.831 136.834 -22.003 1
1 199 . 16 1 1 A 31 31 ALA H H 31 7.855 7.532 0.323 1
1 200 . 16 1 1 A 31 31 ALA HA H 31 4.604 5.034 -0.430 1
1 204 . 16 1 1 A 31 31 ALA N N 31 119.366 118.968 0.398 1
1 205 . 16 1 1 A 32 32 GLN H H 32 6.836 8.717 -1.881 1
1 206 . 16 1 1 A 32 32 GLN HA H 32 4.254 4.993 -0.739 1
1 213 . 16 1 1 A 32 32 GLN N N 32 115.145 125.006 -9.861 1
1 215 . 16 1 1 A 33 33 GLU H H 33 8.729 8.710 0.019 1
1 216 . 16 1 1 A 33 33 GLU HA H 33 4.464 5.200 -0.736 1
1 221 . 16 1 1 A 33 33 GLU N N 33 118.546 120.848 -2.302 1
1 222 . 16 1 1 A 34 34 PRO HA H 34 4.507 4.405 0.102 1
1 226 . 16 1 1 A 35 35 HIS H H 35 9.736 7.351 2.385 1
1 227 . 16 1 1 A 35 35 HIS HA H 35 4.861 4.488 0.373 1
1 230 . 16 1 1 A 35 35 HIS N N 35 117.871 116.789 1.082 1
1 231 . 16 1 1 A 36 36 ARG H H 36 9.255 8.269 0.986 1
1 232 . 16 1 1 A 36 36 ARG HA H 36 4.368 4.693 -0.325 1
1 234 . 16 1 1 A 36 36 ARG N N 36 119.886 118.942 0.944 1
1 235 . 16 1 1 A 37 37 HIS H H 37 8.487 7.992 0.495 1
1 236 . 16 1 1 A 37 37 HIS HA H 37 4.969 5.242 -0.273 1
1 242 . 16 1 1 A 37 37 HIS N N 37 118.654 110.035 8.619 1
1 245 . 16 1 1 A 38 38 SER HA H 38 4.516 4.503 0.013 1
1 248 . 16 1 1 A 38 38 SER N N 38 126.261 136.045 -9.784 1
1 249 . 16 1 1 A 39 39 ILE H H 39 8.191 8.356 -0.165 1
1 250 . 16 1 1 A 39 39 ILE HA H 39 5.197 4.220 0.977 1
1 259 . 16 1 1 A 39 39 ILE N N 39 106.468 117.046 -10.578 1
1 260 . 16 1 1 A 40 40 PHE H H 40 8.158 7.583 0.575 1
1 261 . 16 1 1 A 40 40 PHE HA H 40 4.099 4.434 -0.335 1
1 269 . 16 1 1 A 40 40 PHE N N 40 116.320 110.644 5.676 1
1 270 . 16 1 1 A 41 41 THR H H 41 7.254 8.107 -0.853 1
1 271 . 16 1 1 A 41 41 THR HA H 41 4.503 5.234 -0.731 1
1 273 . 16 1 1 A 41 41 THR N N 41 113.915 119.257 -5.342 1
1 274 . 16 1 1 A 42 42 PRO HA H 42 4.166 4.445 -0.279 1
1 280 . 16 1 1 A 43 43 GLU H H 43 7.824 8.345 -0.521 1
1 281 . 16 1 1 A 43 43 GLU HA H 43 4.161 4.354 -0.193 1
1 284 . 16 1 1 A 43 43 GLU N N 43 112.032 117.383 -5.351 1
1 285 . 16 1 1 A 44 44 THR H H 44 7.859 7.376 0.483 1
1 286 . 16 1 1 A 44 44 THR HA H 44 4.213 4.354 -0.141 1
1 287 . 16 1 1 A 44 44 THR N N 44 109.971 120.688 -10.717 1
1 288 . 16 1 1 A 45 45 ASN H H 45 7.828 7.813 0.015 1
1 294 . 16 1 1 A 45 45 ASN N N 45 118.292 107.895 10.397 1
1 299 . 16 1 1 A 47 47 ARG H H 47 8.778 8.181 0.597 1
1 300 . 16 1 1 A 47 47 ARG HA H 47 4.594 4.716 -0.122 1
1 307 . 16 1 1 A 47 47 ARG N N 47 117.742 122.037 -4.295 1
1 309 . 16 1 1 A 48 48 ALA H H 48 7.139 8.938 -1.799 1
1 310 . 16 1 1 A 48 48 ALA HA H 48 4.439 3.959 0.480 1
1 314 . 16 1 1 A 48 48 ALA N N 48 119.525 119.638 -0.113 1
1 315 . 16 1 1 A 49 49 GLY H H 49 8.256 8.238 0.018 1
1 318 . 16 1 1 A 49 49 GLY N N 49 108.423 122.293 -13.870 1
1 319 . 16 1 1 A 50 50 LEU H H 50 9.144 7.476 1.668 1
1 320 . 16 1 1 A 50 50 LEU HA H 50 3.268 4.768 -1.500 1
1 330 . 16 1 1 A 50 50 LEU N N 50 121.605 121.364 0.241 1
1 331 . 16 1 1 A 51 51 GLU H H 51 7.651 9.513 -1.862 1
1 332 . 16 1 1 A 51 51 GLU HA H 51 4.504 4.964 -0.460 1
1 335 . 16 1 1 A 51 51 GLU N N 51 124.470 122.819 1.651 1
1 336 . 16 1 1 A 52 52 LYS H H 52 8.878 8.743 0.135 1
1 337 . 16 1 1 A 52 52 LYS HA H 52 3.618 5.099 -1.481 1
1 341 . 16 1 1 A 52 52 LYS N N 52 118.010 122.297 -4.287 1
1 342 . 16 1 1 A 53 53 ASN H H 53 7.874 8.797 -0.923 1
1 343 . 16 1 1 A 53 53 ASN HA H 53 4.574 5.261 -0.687 1
1 348 . 16 1 1 A 53 53 ASN N N 53 122.833 119.955 2.878 1
1 351 . 16 1 1 A 54 54 TYR HA H 54 4.992 4.474 0.518 1
1 358 . 16 1 1 A 54 54 TYR N N 54 112.865 139.014 -26.149 1
1 359 . 16 1 1 A 55 55 CYS H H 55 8.917 8.180 0.737 1
1 360 . 16 1 1 A 55 55 CYS HA H 55 4.488 4.919 -0.431 1
1 363 . 16 1 1 A 55 55 CYS N N 55 118.745 117.257 1.488 1
1 364 . 16 1 1 A 56 56 ARG H H 56 9.470 7.974 1.496 1
1 372 . 16 1 1 A 56 56 ARG N N 56 123.525 108.576 14.949 1
1 374 . 16 1 1 A 57 57 ASN H H 57 8.417 8.230 0.187 1
1 375 . 16 1 1 A 57 57 ASN HA H 57 5.540 4.585 0.955 1
1 380 . 16 1 1 A 57 57 ASN N N 57 113.293 120.788 -7.495 1
1 382 . 16 1 1 A 58 58 PRO HA H 58 4.454 4.386 0.068 1
1 389 . 16 1 1 A 59 59 ASP H H 59 9.547 8.104 1.443 1
1 393 . 16 1 1 A 59 59 ASP N N 59 114.552 109.704 4.848 1
1 394 . 16 1 1 A 60 60 GLY H H 60 7.436 7.545 -0.109 1
1 395 . 16 1 1 A 60 60 GLY HA2 H 60 3.311 4.198 -0.887 1
1 396 . 16 1 1 A 60 60 GLY HA3 H 60 3.799 4.210 -0.411 1
1 397 . 16 1 1 A 60 60 GLY N N 60 109.636 106.666 2.970 1
1 399 . 16 1 1 A 61 61 ASP HA H 61 4.369 4.951 -0.582 1
1 401 . 16 1 1 A 61 61 ASP N N 61 123.255 133.104 -9.849 1
1 402 . 16 1 1 A 62 62 VAL H H 62 8.871 9.175 -0.304 1
1 403 . 16 1 1 A 62 62 VAL HA H 62 3.997 5.229 -1.232 1
1 411 . 16 1 1 A 62 62 VAL N N 62 127.998 118.650 9.348 1
1 412 . 16 1 1 A 63 63 GLY H H 63 9.855 8.948 0.907 1
1 415 . 16 1 1 A 63 63 GLY N N 63 109.474 116.814 -7.340 1
1 416 . 16 1 1 A 64 64 GLY H H 64 7.718 8.097 -0.379 1
1 419 . 16 1 1 A 64 64 GLY N N 64 107.373 119.035 -11.662 1
1 420 . 16 1 1 A 65 65 PRO HA H 65 4.004 4.998 -0.994 1
1 423 . 16 1 1 A 66 66 TRP H H 66 8.894 8.504 0.390 1
1 424 . 16 1 1 A 66 66 TRP HA H 66 5.340 4.529 0.811 1
1 433 . 16 1 1 A 66 66 TRP N N 66 122.955 113.684 9.271 1
1 435 . 16 1 1 A 67 67 CYS H H 67 8.673 7.597 1.076 1
1 436 . 16 1 1 A 67 67 CYS HA H 67 4.427 5.140 -0.713 1
1 439 . 16 1 1 A 67 67 CYS N N 67 109.130 122.211 -13.081 1
1 441 . 16 1 1 A 68 68 TYR HA H 68 5.167 4.493 0.674 1
1 448 . 16 1 1 A 68 68 TYR N N 68 121.963 142.009 -20.046 1
1 449 . 16 1 1 A 69 69 THR H H 69 7.813 8.792 -0.979 1
1 450 . 16 1 1 A 69 69 THR HA H 69 5.255 4.209 1.046 1
1 456 . 16 1 1 A 69 69 THR N N 69 111.504 117.804 -6.300 1
1 457 . 16 1 1 A 70 70 THR H H 70 7.778 7.297 0.481 1
1 458 . 16 1 1 A 70 70 THR HA H 70 3.977 4.672 -0.695 1
1 463 . 16 1 1 A 70 70 THR N N 70 105.004 115.298 -10.294 1
1 464 . 16 1 1 A 71 71 ASN H H 71 8.714 8.683 0.031 1
1 465 . 16 1 1 A 71 71 ASN HA H 71 5.035 4.303 0.732 1
1 470 . 16 1 1 A 71 71 ASN N N 71 122.506 120.342 2.164 1
1 472 . 16 1 1 A 72 72 PRO HA H 72 3.766 5.161 -1.395 1
1 476 . 16 1 1 A 73 73 ARG H H 73 8.036 8.657 -0.621 1
1 477 . 16 1 1 A 73 73 ARG HA H 73 4.384 5.041 -0.657 1
1 482 . 16 1 1 A 73 73 ARG N N 73 113.053 119.935 -6.882 1
1 484 . 16 1 1 A 74 74 LYS H H 74 7.664 8.888 -1.224 1
1 485 . 16 1 1 A 74 74 LYS HA H 74 4.597 5.038 -0.441 1
1 489 . 16 1 1 A 74 74 LYS N N 74 121.711 119.090 2.621 1
1 490 . 16 1 1 A 75 75 LEU H H 75 8.805 9.347 -0.542 1
1 491 . 16 1 1 A 75 75 LEU HA H 75 2.354 5.279 -2.925 1
1 492 . 16 1 1 A 75 75 LEU N N 75 130.480 120.412 10.068 1
1 493 . 16 1 1 A 76 76 TYR H H 76 7.149 8.936 -1.787 1
1 494 . 16 1 1 A 76 76 TYR HA H 76 5.410 5.036 0.374 1
1 499 . 16 1 1 A 76 76 TYR N N 76 107.886 123.413 -15.527 1
1 500 . 16 1 1 A 77 77 ASP H H 77 8.557 8.534 0.023 1
1 501 . 16 1 1 A 77 77 ASP HA H 77 4.095 4.638 -0.543 1
1 504 . 16 1 1 A 77 77 ASP N N 77 116.171 125.288 -9.117 1
1 506 . 16 1 1 A 78 78 TYR HA H 78 4.577 4.473 0.104 1
1 513 . 16 1 1 A 78 78 TYR N N 78 118.199 140.938 -22.739 1
1 514 . 16 1 1 A 79 79 CYS H H 79 8.718 8.478 0.240 1
1 515 . 16 1 1 A 79 79 CYS HA H 79 4.758 4.269 0.489 1
1 518 . 16 1 1 A 79 79 CYS N N 79 116.747 120.805 -4.058 1
1 519 . 16 1 1 A 80 80 ASP H H 80 9.093 9.572 -0.479 1
1 520 . 16 1 1 A 80 80 ASP HA H 80 4.568 4.220 0.348 1
1 523 . 16 1 1 A 80 80 ASP N N 80 122.193 125.804 -3.611 1
1 524 . 16 1 1 A 81 81 VAL H H 81 7.782 7.275 0.507 1
1 525 . 16 1 1 A 81 81 VAL HA H 81 4.102 4.409 -0.307 1
1 533 . 16 1 1 A 81 81 VAL N N 81 123.869 121.474 2.395 1
1 5 . 17 1 1 A 2 2 ASN H H 2 8.147 8.583 -0.436 1
1 6 . 17 1 1 A 2 2 ASN HA H 2 4.619 5.293 -0.674 1
1 10 . 17 1 1 A 2 2 ASN N N 2 117.923 120.386 -2.463 1
1 12 . 17 1 1 A 3 3 ALA H H 3 8.340 8.989 -0.649 1
1 13 . 17 1 1 A 3 3 ALA HA H 3 4.234 5.161 -0.927 1
1 17 . 17 1 1 A 3 3 ALA N N 3 124.095 119.284 4.811 1
1 18 . 17 1 1 A 4 4 ASP H H 4 8.408 9.551 -1.143 1
1 22 . 17 1 1 A 4 4 ASP N N 4 120.996 114.835 6.161 1
1 23 . 17 1 1 A 5 5 CYS H H 5 8.035 8.863 -0.828 1
1 24 . 17 1 1 A 5 5 CYS HA H 5 4.947 4.757 0.190 1
1 26 . 17 1 1 A 5 5 CYS N N 5 118.050 125.059 -7.009 1
1 27 . 17 1 1 A 6 6 MET H H 6 9.169 7.533 1.636 1
1 31 . 17 1 1 A 6 6 MET N N 6 117.506 107.351 10.155 1
1 32 . 17 1 1 A 7 7 PHE H H 7 9.290 8.556 0.734 1
1 33 . 17 1 1 A 7 7 PHE HA H 7 4.961 4.302 0.659 1
1 41 . 17 1 1 A 7 7 PHE N N 7 119.609 120.444 -0.835 1
1 42 . 17 1 1 A 8 8 GLY H H 8 9.314 8.088 1.226 1
1 43 . 17 1 1 A 8 8 GLY HA2 H 8 3.817 3.934 -0.117 1
1 44 . 17 1 1 A 8 8 GLY HA3 H 8 4.038 3.941 0.097 1
1 45 . 17 1 1 A 8 8 GLY N N 8 115.285 107.435 7.850 1
1 46 . 17 1 1 A 9 9 ASN H H 9 8.563 7.889 0.674 1
1 47 . 17 1 1 A 9 9 ASN HA H 9 4.788 4.683 0.105 1
1 52 . 17 1 1 A 9 9 ASN N N 9 121.190 122.231 -1.041 1
1 54 . 17 1 1 A 10 10 GLY H H 10 8.650 8.846 -0.196 1
1 57 . 17 1 1 A 10 10 GLY N N 10 104.975 128.240 -23.265 1
1 58 . 17 1 1 A 11 11 LYS H H 11 8.616 7.382 1.234 1
1 63 . 17 1 1 A 11 11 LYS N N 11 124.787 108.219 16.568 1
1 64 . 17 1 1 A 12 12 GLY H H 12 8.674 9.290 -0.616 1
1 67 . 17 1 1 A 12 12 GLY N N 12 102.671 116.468 -13.797 1
1 68 . 17 1 1 A 13 13 TYR H H 13 7.632 7.877 -0.245 1
1 69 . 17 1 1 A 13 13 TYR HA H 13 4.456 4.437 0.019 1
1 76 . 17 1 1 A 13 13 TYR N N 13 120.588 120.889 -0.301 1
1 77 . 17 1 1 A 14 14 ARG H H 14 9.249 8.898 0.351 1
1 78 . 17 1 1 A 14 14 ARG HA H 14 4.109 4.545 -0.436 1
1 82 . 17 1 1 A 14 14 ARG N N 14 131.346 117.370 13.976 1
1 84 . 17 1 1 A 15 15 GLY H H 15 4.280 7.540 -3.260 1
1 87 . 17 1 1 A 15 15 GLY N N 15 104.876 116.297 -11.421 1
1 88 . 17 1 1 A 16 16 LYS H H 16 8.781 8.866 -0.085 1
1 89 . 17 1 1 A 16 16 LYS HA H 16 4.167 4.632 -0.465 1
1 95 . 17 1 1 A 16 16 LYS N N 16 116.399 116.982 -0.583 1
1 96 . 17 1 1 A 17 17 ARG H H 17 7.493 9.186 -1.693 1
1 97 . 17 1 1 A 17 17 ARG HA H 17 4.360 3.874 0.486 1
1 104 . 17 1 1 A 17 17 ARG N N 17 121.452 118.090 3.362 1
1 106 . 17 1 1 A 18 18 VAL H H 18 8.298 7.666 0.632 1
1 107 . 17 1 1 A 18 18 VAL HA H 18 5.005 4.447 0.558 1
1 115 . 17 1 1 A 18 18 VAL N N 18 113.240 111.151 2.089 1
1 116 . 17 1 1 A 19 19 THR H H 19 7.209 8.090 -0.881 1
1 122 . 17 1 1 A 19 19 THR N N 19 111.368 111.863 -0.495 1
1 123 . 17 1 1 A 20 20 THR H H 20 8.518 7.672 0.846 1
1 124 . 17 1 1 A 20 20 THR HA H 20 4.605 4.321 0.284 1
1 129 . 17 1 1 A 20 20 THR N N 20 110.279 117.171 -6.892 1
1 131 . 17 1 1 A 21 21 VAL HA H 21 4.049 4.820 -0.771 1
1 139 . 17 1 1 A 21 21 VAL N N 21 116.629 141.857 -25.228 1
1 140 . 17 1 1 A 22 22 THR H H 22 7.376 8.434 -1.058 1
1 141 . 17 1 1 A 22 22 THR HA H 22 4.521 4.721 -0.200 1
1 145 . 17 1 1 A 22 22 THR N N 22 108.221 122.146 -13.925 1
1 146 . 17 1 1 A 23 23 GLY H H 23 8.345 9.171 -0.826 1
1 149 . 17 1 1 A 23 23 GLY N N 23 110.656 124.347 -13.691 1
1 150 . 17 1 1 A 24 24 THR H H 24 7.330 8.705 -1.375 1
1 151 . 17 1 1 A 24 24 THR HA H 24 4.419 4.862 -0.443 1
1 156 . 17 1 1 A 24 24 THR N N 24 119.053 122.919 -3.866 1
1 157 . 17 1 1 A 25 25 PRO HA H 25 4.601 4.715 -0.114 1
1 161 . 17 1 1 A 26 26 CYS H H 26 8.451 7.711 0.740 1
1 162 . 17 1 1 A 26 26 CYS HA H 26 4.715 4.289 0.426 1
1 165 . 17 1 1 A 26 26 CYS N N 26 123.739 120.881 2.858 1
1 166 . 17 1 1 A 27 27 GLN H H 27 9.557 8.139 1.418 1
1 167 . 17 1 1 A 27 27 GLN HA H 27 3.946 4.428 -0.482 1
1 174 . 17 1 1 A 27 27 GLN N N 27 126.620 120.022 6.598 1
1 176 . 17 1 1 A 28 28 ASP H H 28 8.849 8.827 0.022 1
1 177 . 17 1 1 A 28 28 ASP HA H 28 4.419 4.879 -0.460 1
1 180 . 17 1 1 A 28 28 ASP N N 28 126.815 119.728 7.087 1
1 181 . 17 1 1 A 29 29 TRP H H 29 7.982 7.825 0.157 1
1 182 . 17 1 1 A 29 29 TRP HA H 29 4.198 4.749 -0.551 1
1 191 . 17 1 1 A 29 29 TRP N N 29 123.876 118.151 5.725 1
1 194 . 17 1 1 A 30 30 ALA HA H 30 4.334 4.522 -0.188 1
1 198 . 17 1 1 A 30 30 ALA N N 30 114.831 137.923 -23.092 1
1 199 . 17 1 1 A 31 31 ALA H H 31 7.855 7.528 0.327 1
1 200 . 17 1 1 A 31 31 ALA HA H 31 4.604 5.007 -0.403 1
1 204 . 17 1 1 A 31 31 ALA N N 31 119.366 119.634 -0.268 1
1 205 . 17 1 1 A 32 32 GLN H H 32 6.836 8.913 -2.077 1
1 206 . 17 1 1 A 32 32 GLN HA H 32 4.254 4.603 -0.349 1
1 213 . 17 1 1 A 32 32 GLN N N 32 115.145 125.615 -10.470 1
1 215 . 17 1 1 A 33 33 GLU H H 33 8.729 8.793 -0.064 1
1 216 . 17 1 1 A 33 33 GLU HA H 33 4.464 5.190 -0.726 1
1 221 . 17 1 1 A 33 33 GLU N N 33 118.546 122.243 -3.697 1
1 222 . 17 1 1 A 34 34 PRO HA H 34 4.507 4.408 0.099 1
1 226 . 17 1 1 A 35 35 HIS H H 35 9.736 7.422 2.314 1
1 227 . 17 1 1 A 35 35 HIS HA H 35 4.861 4.457 0.404 1
1 230 . 17 1 1 A 35 35 HIS N N 35 117.871 116.590 1.281 1
1 231 . 17 1 1 A 36 36 ARG H H 36 9.255 8.279 0.976 1
1 232 . 17 1 1 A 36 36 ARG HA H 36 4.368 4.862 -0.494 1
1 234 . 17 1 1 A 36 36 ARG N N 36 119.886 119.127 0.759 1
1 235 . 17 1 1 A 37 37 HIS H H 37 8.487 8.128 0.359 1
1 236 . 17 1 1 A 37 37 HIS HA H 37 4.969 5.231 -0.262 1
1 242 . 17 1 1 A 37 37 HIS N N 37 118.654 110.091 8.563 1
1 245 . 17 1 1 A 38 38 SER HA H 38 4.516 4.424 0.092 1
1 248 . 17 1 1 A 38 38 SER N N 38 126.261 136.274 -10.013 1
1 249 . 17 1 1 A 39 39 ILE H H 39 8.191 8.374 -0.183 1
1 250 . 17 1 1 A 39 39 ILE HA H 39 5.197 4.347 0.850 1
1 259 . 17 1 1 A 39 39 ILE N N 39 106.468 117.067 -10.599 1
1 260 . 17 1 1 A 40 40 PHE H H 40 8.158 7.748 0.410 1
1 261 . 17 1 1 A 40 40 PHE HA H 40 4.099 4.352 -0.253 1
1 269 . 17 1 1 A 40 40 PHE N N 40 116.320 111.405 4.915 1
1 270 . 17 1 1 A 41 41 THR H H 41 7.254 7.723 -0.469 1
1 271 . 17 1 1 A 41 41 THR HA H 41 4.503 5.230 -0.727 1
1 273 . 17 1 1 A 41 41 THR N N 41 113.915 119.925 -6.010 1
1 274 . 17 1 1 A 42 42 PRO HA H 42 4.166 4.503 -0.337 1
1 280 . 17 1 1 A 43 43 GLU H H 43 7.824 8.362 -0.538 1
1 281 . 17 1 1 A 43 43 GLU HA H 43 4.161 4.341 -0.180 1
1 284 . 17 1 1 A 43 43 GLU N N 43 112.032 116.603 -4.571 1
1 285 . 17 1 1 A 44 44 THR H H 44 7.859 7.617 0.242 1
1 286 . 17 1 1 A 44 44 THR HA H 44 4.213 4.378 -0.165 1
1 287 . 17 1 1 A 44 44 THR N N 44 109.971 120.811 -10.840 1
1 288 . 17 1 1 A 45 45 ASN H H 45 7.828 7.953 -0.125 1
1 294 . 17 1 1 A 45 45 ASN N N 45 118.292 107.845 10.447 1
1 299 . 17 1 1 A 47 47 ARG H H 47 8.778 7.876 0.902 1
1 300 . 17 1 1 A 47 47 ARG HA H 47 4.594 4.920 -0.326 1
1 307 . 17 1 1 A 47 47 ARG N N 47 117.742 125.021 -7.279 1
1 309 . 17 1 1 A 48 48 ALA H H 48 7.139 8.942 -1.803 1
1 310 . 17 1 1 A 48 48 ALA HA H 48 4.439 3.933 0.506 1
1 314 . 17 1 1 A 48 48 ALA N N 48 119.525 119.771 -0.246 1
1 315 . 17 1 1 A 49 49 GLY H H 49 8.256 8.241 0.015 1
1 318 . 17 1 1 A 49 49 GLY N N 49 108.423 121.994 -13.571 1
1 319 . 17 1 1 A 50 50 LEU H H 50 9.144 7.227 1.917 1
1 320 . 17 1 1 A 50 50 LEU HA H 50 3.268 4.749 -1.481 1
1 330 . 17 1 1 A 50 50 LEU N N 50 121.605 121.357 0.248 1
1 331 . 17 1 1 A 51 51 GLU H H 51 7.651 9.294 -1.643 1
1 332 . 17 1 1 A 51 51 GLU HA H 51 4.504 4.967 -0.463 1
1 335 . 17 1 1 A 51 51 GLU N N 51 124.470 122.501 1.969 1
1 336 . 17 1 1 A 52 52 LYS H H 52 8.878 8.771 0.107 1
1 337 . 17 1 1 A 52 52 LYS HA H 52 3.618 5.046 -1.428 1
1 341 . 17 1 1 A 52 52 LYS N N 52 118.010 122.460 -4.450 1
1 342 . 17 1 1 A 53 53 ASN H H 53 7.874 8.499 -0.625 1
1 343 . 17 1 1 A 53 53 ASN HA H 53 4.574 5.295 -0.721 1
1 348 . 17 1 1 A 53 53 ASN N N 53 122.833 120.516 2.317 1
1 351 . 17 1 1 A 54 54 TYR HA H 54 4.992 4.388 0.604 1
1 358 . 17 1 1 A 54 54 TYR N N 54 112.865 138.809 -25.944 1
1 359 . 17 1 1 A 55 55 CYS H H 55 8.917 8.127 0.790 1
1 360 . 17 1 1 A 55 55 CYS HA H 55 4.488 4.824 -0.336 1
1 363 . 17 1 1 A 55 55 CYS N N 55 118.745 117.602 1.143 1
1 364 . 17 1 1 A 56 56 ARG H H 56 9.470 8.009 1.461 1
1 372 . 17 1 1 A 56 56 ARG N N 56 123.525 108.460 15.065 1
1 374 . 17 1 1 A 57 57 ASN H H 57 8.417 8.243 0.174 1
1 375 . 17 1 1 A 57 57 ASN HA H 57 5.540 4.585 0.955 1
1 380 . 17 1 1 A 57 57 ASN N N 57 113.293 120.783 -7.490 1
1 382 . 17 1 1 A 58 58 PRO HA H 58 4.454 4.317 0.137 1
1 389 . 17 1 1 A 59 59 ASP H H 59 9.547 8.007 1.540 1
1 393 . 17 1 1 A 59 59 ASP N N 59 114.552 109.931 4.621 1
1 394 . 17 1 1 A 60 60 GLY H H 60 7.436 7.446 -0.010 1
1 395 . 17 1 1 A 60 60 GLY HA2 H 60 3.311 4.164 -0.853 1
1 396 . 17 1 1 A 60 60 GLY HA3 H 60 3.799 4.168 -0.369 1
1 397 . 17 1 1 A 60 60 GLY N N 60 109.636 106.410 3.226 1
1 399 . 17 1 1 A 61 61 ASP HA H 61 4.369 4.910 -0.541 1
1 401 . 17 1 1 A 61 61 ASP N N 61 123.255 132.610 -9.355 1
1 402 . 17 1 1 A 62 62 VAL H H 62 8.871 8.804 0.067 1
1 403 . 17 1 1 A 62 62 VAL HA H 62 3.997 5.280 -1.283 1
1 411 . 17 1 1 A 62 62 VAL N N 62 127.998 118.602 9.396 1
1 412 . 17 1 1 A 63 63 GLY H H 63 9.855 8.931 0.924 1
1 415 . 17 1 1 A 63 63 GLY N N 63 109.474 117.173 -7.699 1
1 416 . 17 1 1 A 64 64 GLY H H 64 7.718 8.034 -0.316 1
1 419 . 17 1 1 A 64 64 GLY N N 64 107.373 119.104 -11.731 1
1 420 . 17 1 1 A 65 65 PRO HA H 65 4.004 4.806 -0.802 1
1 423 . 17 1 1 A 66 66 TRP H H 66 8.894 8.690 0.204 1
1 424 . 17 1 1 A 66 66 TRP HA H 66 5.340 4.363 0.977 1
1 433 . 17 1 1 A 66 66 TRP N N 66 122.955 113.879 9.076 1
1 435 . 17 1 1 A 67 67 CYS H H 67 8.673 7.765 0.908 1
1 436 . 17 1 1 A 67 67 CYS HA H 67 4.427 5.103 -0.676 1
1 439 . 17 1 1 A 67 67 CYS N N 67 109.130 122.687 -13.557 1
1 441 . 17 1 1 A 68 68 TYR HA H 68 5.167 4.509 0.658 1
1 448 . 17 1 1 A 68 68 TYR N N 68 121.963 141.902 -19.939 1
1 449 . 17 1 1 A 69 69 THR H H 69 7.813 8.525 -0.712 1
1 450 . 17 1 1 A 69 69 THR HA H 69 5.255 4.233 1.022 1
1 456 . 17 1 1 A 69 69 THR N N 69 111.504 117.839 -6.335 1
1 457 . 17 1 1 A 70 70 THR H H 70 7.778 7.057 0.721 1
1 458 . 17 1 1 A 70 70 THR HA H 70 3.977 4.774 -0.797 1
1 463 . 17 1 1 A 70 70 THR N N 70 105.004 114.958 -9.954 1
1 464 . 17 1 1 A 71 71 ASN H H 71 8.714 8.662 0.052 1
1 465 . 17 1 1 A 71 71 ASN HA H 71 5.035 4.238 0.797 1
1 470 . 17 1 1 A 71 71 ASN N N 71 122.506 120.819 1.687 1
1 472 . 17 1 1 A 72 72 PRO HA H 72 3.766 5.198 -1.432 1
1 476 . 17 1 1 A 73 73 ARG H H 73 8.036 8.626 -0.590 1
1 477 . 17 1 1 A 73 73 ARG HA H 73 4.384 4.991 -0.607 1
1 482 . 17 1 1 A 73 73 ARG N N 73 113.053 119.893 -6.840 1
1 484 . 17 1 1 A 74 74 LYS H H 74 7.664 8.831 -1.167 1
1 485 . 17 1 1 A 74 74 LYS HA H 74 4.597 5.006 -0.409 1
1 489 . 17 1 1 A 74 74 LYS N N 74 121.711 119.074 2.637 1
1 490 . 17 1 1 A 75 75 LEU H H 75 8.805 9.277 -0.472 1
1 491 . 17 1 1 A 75 75 LEU HA H 75 2.354 5.189 -2.835 1
1 492 . 17 1 1 A 75 75 LEU N N 75 130.480 120.427 10.053 1
1 493 . 17 1 1 A 76 76 TYR H H 76 7.149 8.919 -1.770 1
1 494 . 17 1 1 A 76 76 TYR HA H 76 5.410 4.964 0.446 1
1 499 . 17 1 1 A 76 76 TYR N N 76 107.886 123.549 -15.663 1
1 500 . 17 1 1 A 77 77 ASP H H 77 8.557 8.376 0.181 1
1 501 . 17 1 1 A 77 77 ASP HA H 77 4.095 4.732 -0.637 1
1 504 . 17 1 1 A 77 77 ASP N N 77 116.171 124.887 -8.716 1
1 506 . 17 1 1 A 78 78 TYR HA H 78 4.577 4.567 0.010 1
1 513 . 17 1 1 A 78 78 TYR N N 78 118.199 141.253 -23.054 1
1 514 . 17 1 1 A 79 79 CYS H H 79 8.718 8.464 0.254 1
1 515 . 17 1 1 A 79 79 CYS HA H 79 4.758 4.241 0.517 1
1 518 . 17 1 1 A 79 79 CYS N N 79 116.747 120.691 -3.944 1
1 519 . 17 1 1 A 80 80 ASP H H 80 9.093 9.676 -0.583 1
1 520 . 17 1 1 A 80 80 ASP HA H 80 4.568 4.189 0.379 1
1 523 . 17 1 1 A 80 80 ASP N N 80 122.193 125.645 -3.452 1
1 524 . 17 1 1 A 81 81 VAL H H 81 7.782 7.152 0.630 1
1 525 . 17 1 1 A 81 81 VAL HA H 81 4.102 4.318 -0.216 1
1 533 . 17 1 1 A 81 81 VAL N N 81 123.869 121.600 2.269 1
1 5 . 18 1 1 A 2 2 ASN H H 2 8.147 8.654 -0.507 1
1 6 . 18 1 1 A 2 2 ASN HA H 2 4.619 5.366 -0.747 1
1 10 . 18 1 1 A 2 2 ASN N N 2 117.923 119.455 -1.532 1
1 12 . 18 1 1 A 3 3 ALA H H 3 8.340 9.055 -0.715 1
1 13 . 18 1 1 A 3 3 ALA HA H 3 4.234 5.175 -0.941 1
1 17 . 18 1 1 A 3 3 ALA N N 3 124.095 119.818 4.277 1
1 18 . 18 1 1 A 4 4 ASP H H 4 8.408 9.607 -1.199 1
1 22 . 18 1 1 A 4 4 ASP N N 4 120.996 114.682 6.314 1
1 23 . 18 1 1 A 5 5 CYS H H 5 8.035 8.842 -0.807 1
1 24 . 18 1 1 A 5 5 CYS HA H 5 4.947 4.780 0.167 1
1 26 . 18 1 1 A 5 5 CYS N N 5 118.050 125.044 -6.994 1
1 27 . 18 1 1 A 6 6 MET H H 6 9.169 7.683 1.486 1
1 31 . 18 1 1 A 6 6 MET N N 6 117.506 107.199 10.307 1
1 32 . 18 1 1 A 7 7 PHE H H 7 9.290 8.515 0.775 1
1 33 . 18 1 1 A 7 7 PHE HA H 7 4.961 4.306 0.655 1
1 41 . 18 1 1 A 7 7 PHE N N 7 119.609 120.665 -1.056 1
1 42 . 18 1 1 A 8 8 GLY H H 8 9.314 8.066 1.248 1
1 43 . 18 1 1 A 8 8 GLY HA2 H 8 3.817 3.937 -0.120 1
1 44 . 18 1 1 A 8 8 GLY HA3 H 8 4.038 3.958 0.080 1
1 45 . 18 1 1 A 8 8 GLY N N 8 115.285 107.889 7.396 1
1 46 . 18 1 1 A 9 9 ASN H H 9 8.563 7.877 0.686 1
1 47 . 18 1 1 A 9 9 ASN HA H 9 4.788 4.733 0.055 1
1 52 . 18 1 1 A 9 9 ASN N N 9 121.190 121.611 -0.421 1
1 54 . 18 1 1 A 10 10 GLY H H 10 8.650 8.994 -0.344 1
1 57 . 18 1 1 A 10 10 GLY N N 10 104.975 128.463 -23.488 1
1 58 . 18 1 1 A 11 11 LYS H H 11 8.616 7.522 1.094 1
1 63 . 18 1 1 A 11 11 LYS N N 11 124.787 108.331 16.456 1
1 64 . 18 1 1 A 12 12 GLY H H 12 8.674 9.093 -0.419 1
1 67 . 18 1 1 A 12 12 GLY N N 12 102.671 116.714 -14.043 1
1 68 . 18 1 1 A 13 13 TYR H H 13 7.632 7.815 -0.183 1
1 69 . 18 1 1 A 13 13 TYR HA H 13 4.456 4.463 -0.007 1
1 76 . 18 1 1 A 13 13 TYR N N 13 120.588 120.894 -0.306 1
1 77 . 18 1 1 A 14 14 ARG H H 14 9.249 8.927 0.322 1
1 78 . 18 1 1 A 14 14 ARG HA H 14 4.109 4.584 -0.475 1
1 82 . 18 1 1 A 14 14 ARG N N 14 131.346 117.239 14.107 1
1 84 . 18 1 1 A 15 15 GLY H H 15 4.280 7.567 -3.287 1
1 87 . 18 1 1 A 15 15 GLY N N 15 104.876 115.654 -10.778 1
1 88 . 18 1 1 A 16 16 LYS H H 16 8.781 9.055 -0.274 1
1 89 . 18 1 1 A 16 16 LYS HA H 16 4.167 4.632 -0.465 1
1 95 . 18 1 1 A 16 16 LYS N N 16 116.399 117.065 -0.666 1
1 96 . 18 1 1 A 17 17 ARG H H 17 7.493 9.350 -1.857 1
1 97 . 18 1 1 A 17 17 ARG HA H 17 4.360 3.873 0.487 1
1 104 . 18 1 1 A 17 17 ARG N N 17 121.452 118.185 3.267 1
1 106 . 18 1 1 A 18 18 VAL H H 18 8.298 7.699 0.599 1
1 107 . 18 1 1 A 18 18 VAL HA H 18 5.005 4.433 0.572 1
1 115 . 18 1 1 A 18 18 VAL N N 18 113.240 111.136 2.104 1
1 116 . 18 1 1 A 19 19 THR H H 19 7.209 7.986 -0.777 1
1 122 . 18 1 1 A 19 19 THR N N 19 111.368 111.870 -0.502 1
1 123 . 18 1 1 A 20 20 THR H H 20 8.518 7.738 0.780 1
1 124 . 18 1 1 A 20 20 THR HA H 20 4.605 4.364 0.241 1
1 129 . 18 1 1 A 20 20 THR N N 20 110.279 116.857 -6.578 1
1 131 . 18 1 1 A 21 21 VAL HA H 21 4.049 4.490 -0.441 1
1 139 . 18 1 1 A 21 21 VAL N N 21 116.629 142.051 -25.422 1
1 140 . 18 1 1 A 22 22 THR H H 22 7.376 8.419 -1.043 1
1 141 . 18 1 1 A 22 22 THR HA H 22 4.521 4.565 -0.044 1
1 145 . 18 1 1 A 22 22 THR N N 22 108.221 122.186 -13.965 1
1 146 . 18 1 1 A 23 23 GLY H H 23 8.345 9.192 -0.847 1
1 149 . 18 1 1 A 23 23 GLY N N 23 110.656 124.010 -13.354 1
1 150 . 18 1 1 A 24 24 THR H H 24 7.330 8.714 -1.384 1
1 151 . 18 1 1 A 24 24 THR HA H 24 4.419 5.033 -0.614 1
1 156 . 18 1 1 A 24 24 THR N N 24 119.053 123.271 -4.218 1
1 157 . 18 1 1 A 25 25 PRO HA H 25 4.601 4.743 -0.142 1
1 161 . 18 1 1 A 26 26 CYS H H 26 8.451 7.723 0.728 1
1 162 . 18 1 1 A 26 26 CYS HA H 26 4.715 4.279 0.436 1
1 165 . 18 1 1 A 26 26 CYS N N 26 123.739 120.907 2.832 1
1 166 . 18 1 1 A 27 27 GLN H H 27 9.557 8.401 1.156 1
1 167 . 18 1 1 A 27 27 GLN HA H 27 3.946 4.517 -0.571 1
1 174 . 18 1 1 A 27 27 GLN N N 27 126.620 119.925 6.695 1
1 176 . 18 1 1 A 28 28 ASP H H 28 8.849 8.756 0.093 1
1 177 . 18 1 1 A 28 28 ASP HA H 28 4.419 4.990 -0.571 1
1 180 . 18 1 1 A 28 28 ASP N N 28 126.815 119.549 7.266 1
1 181 . 18 1 1 A 29 29 TRP H H 29 7.982 7.876 0.106 1
1 182 . 18 1 1 A 29 29 TRP HA H 29 4.198 4.728 -0.530 1
1 191 . 18 1 1 A 29 29 TRP N N 29 123.876 118.187 5.689 1
1 194 . 18 1 1 A 30 30 ALA HA H 30 4.334 4.528 -0.194 1
1 198 . 18 1 1 A 30 30 ALA N N 30 114.831 138.765 -23.934 1
1 199 . 18 1 1 A 31 31 ALA H H 31 7.855 7.553 0.302 1
1 200 . 18 1 1 A 31 31 ALA HA H 31 4.604 4.918 -0.314 1
1 204 . 18 1 1 A 31 31 ALA N N 31 119.366 119.551 -0.185 1
1 205 . 18 1 1 A 32 32 GLN H H 32 6.836 8.607 -1.771 1
1 206 . 18 1 1 A 32 32 GLN HA H 32 4.254 4.289 -0.035 1
1 213 . 18 1 1 A 32 32 GLN N N 32 115.145 123.528 -8.383 1
1 215 . 18 1 1 A 33 33 GLU H H 33 8.729 8.619 0.110 1
1 216 . 18 1 1 A 33 33 GLU HA H 33 4.464 5.146 -0.682 1
1 221 . 18 1 1 A 33 33 GLU N N 33 118.546 118.562 -0.016 1
1 222 . 18 1 1 A 34 34 PRO HA H 34 4.507 4.338 0.169 1
1 226 . 18 1 1 A 35 35 HIS H H 35 9.736 7.418 2.318 1
1 227 . 18 1 1 A 35 35 HIS HA H 35 4.861 4.526 0.335 1
1 230 . 18 1 1 A 35 35 HIS N N 35 117.871 117.882 -0.011 1
1 231 . 18 1 1 A 36 36 ARG H H 36 9.255 8.249 1.006 1
1 232 . 18 1 1 A 36 36 ARG HA H 36 4.368 4.813 -0.445 1
1 234 . 18 1 1 A 36 36 ARG N N 36 119.886 118.940 0.946 1
1 235 . 18 1 1 A 37 37 HIS H H 37 8.487 8.103 0.384 1
1 236 . 18 1 1 A 37 37 HIS HA H 37 4.969 5.084 -0.115 1
1 242 . 18 1 1 A 37 37 HIS N N 37 118.654 110.313 8.341 1
1 245 . 18 1 1 A 38 38 SER HA H 38 4.516 4.393 0.123 1
1 248 . 18 1 1 A 38 38 SER N N 38 126.261 136.770 -10.509 1
1 249 . 18 1 1 A 39 39 ILE H H 39 8.191 8.330 -0.139 1
1 250 . 18 1 1 A 39 39 ILE HA H 39 5.197 4.348 0.849 1
1 259 . 18 1 1 A 39 39 ILE N N 39 106.468 116.825 -10.357 1
1 260 . 18 1 1 A 40 40 PHE H H 40 8.158 7.745 0.413 1
1 261 . 18 1 1 A 40 40 PHE HA H 40 4.099 4.375 -0.276 1
1 269 . 18 1 1 A 40 40 PHE N N 40 116.320 109.947 6.373 1
1 270 . 18 1 1 A 41 41 THR H H 41 7.254 7.757 -0.503 1
1 271 . 18 1 1 A 41 41 THR HA H 41 4.503 5.216 -0.713 1
1 273 . 18 1 1 A 41 41 THR N N 41 113.915 119.918 -6.003 1
1 274 . 18 1 1 A 42 42 PRO HA H 42 4.166 4.460 -0.294 1
1 280 . 18 1 1 A 43 43 GLU H H 43 7.824 8.305 -0.481 1
1 281 . 18 1 1 A 43 43 GLU HA H 43 4.161 4.368 -0.207 1
1 284 . 18 1 1 A 43 43 GLU N N 43 112.032 117.311 -5.279 1
1 285 . 18 1 1 A 44 44 THR H H 44 7.859 7.386 0.473 1
1 286 . 18 1 1 A 44 44 THR HA H 44 4.213 4.365 -0.152 1
1 287 . 18 1 1 A 44 44 THR N N 44 109.971 121.022 -11.051 1
1 288 . 18 1 1 A 45 45 ASN H H 45 7.828 7.942 -0.114 1
1 294 . 18 1 1 A 45 45 ASN N N 45 118.292 107.865 10.427 1
1 299 . 18 1 1 A 47 47 ARG H H 47 8.778 8.190 0.588 1
1 300 . 18 1 1 A 47 47 ARG HA H 47 4.594 4.966 -0.372 1
1 307 . 18 1 1 A 47 47 ARG N N 47 117.742 124.820 -7.078 1
1 309 . 18 1 1 A 48 48 ALA H H 48 7.139 8.920 -1.781 1
1 310 . 18 1 1 A 48 48 ALA HA H 48 4.439 3.942 0.497 1
1 314 . 18 1 1 A 48 48 ALA N N 48 119.525 120.123 -0.598 1
1 315 . 18 1 1 A 49 49 GLY H H 49 8.256 8.183 0.073 1
1 318 . 18 1 1 A 49 49 GLY N N 49 108.423 122.326 -13.903 1
1 319 . 18 1 1 A 50 50 LEU H H 50 9.144 7.414 1.730 1
1 320 . 18 1 1 A 50 50 LEU HA H 50 3.268 4.741 -1.473 1
1 330 . 18 1 1 A 50 50 LEU N N 50 121.605 121.385 0.220 1
1 331 . 18 1 1 A 51 51 GLU H H 51 7.651 9.417 -1.766 1
1 332 . 18 1 1 A 51 51 GLU HA H 51 4.504 4.948 -0.444 1
1 335 . 18 1 1 A 51 51 GLU N N 51 124.470 123.091 1.379 1
1 336 . 18 1 1 A 52 52 LYS H H 52 8.878 8.659 0.219 1
1 337 . 18 1 1 A 52 52 LYS HA H 52 3.618 4.985 -1.367 1
1 341 . 18 1 1 A 52 52 LYS N N 52 118.010 121.961 -3.951 1
1 342 . 18 1 1 A 53 53 ASN H H 53 7.874 8.242 -0.368 1
1 343 . 18 1 1 A 53 53 ASN HA H 53 4.574 5.240 -0.666 1
1 348 . 18 1 1 A 53 53 ASN N N 53 122.833 119.460 3.373 1
1 351 . 18 1 1 A 54 54 TYR HA H 54 4.992 4.405 0.587 1
1 358 . 18 1 1 A 54 54 TYR N N 54 112.865 138.622 -25.757 1
1 359 . 18 1 1 A 55 55 CYS H H 55 8.917 8.167 0.750 1
1 360 . 18 1 1 A 55 55 CYS HA H 55 4.488 4.808 -0.320 1
1 363 . 18 1 1 A 55 55 CYS N N 55 118.745 115.368 3.377 1
1 364 . 18 1 1 A 56 56 ARG H H 56 9.470 7.806 1.664 1
1 372 . 18 1 1 A 56 56 ARG N N 56 123.525 109.569 13.956 1
1 374 . 18 1 1 A 57 57 ASN H H 57 8.417 8.486 -0.069 1
1 375 . 18 1 1 A 57 57 ASN HA H 57 5.540 4.618 0.922 1
1 380 . 18 1 1 A 57 57 ASN N N 57 113.293 120.562 -7.269 1
1 382 . 18 1 1 A 58 58 PRO HA H 58 4.454 4.252 0.202 1
1 389 . 18 1 1 A 59 59 ASP H H 59 9.547 8.169 1.378 1
1 393 . 18 1 1 A 59 59 ASP N N 59 114.552 110.376 4.176 1
1 394 . 18 1 1 A 60 60 GLY H H 60 7.436 7.494 -0.058 1
1 395 . 18 1 1 A 60 60 GLY HA2 H 60 3.311 4.170 -0.859 1
1 396 . 18 1 1 A 60 60 GLY HA3 H 60 3.799 4.175 -0.376 1
1 397 . 18 1 1 A 60 60 GLY N N 60 109.636 107.047 2.589 1
1 399 . 18 1 1 A 61 61 ASP HA H 61 4.369 4.907 -0.538 1
1 401 . 18 1 1 A 61 61 ASP N N 61 123.255 133.079 -9.824 1
1 402 . 18 1 1 A 62 62 VAL H H 62 8.871 9.043 -0.172 1
1 403 . 18 1 1 A 62 62 VAL HA H 62 3.997 5.292 -1.295 1
1 411 . 18 1 1 A 62 62 VAL N N 62 127.998 118.581 9.417 1
1 412 . 18 1 1 A 63 63 GLY H H 63 9.855 8.892 0.963 1
1 415 . 18 1 1 A 63 63 GLY N N 63 109.474 116.822 -7.348 1
1 416 . 18 1 1 A 64 64 GLY H H 64 7.718 8.057 -0.339 1
1 419 . 18 1 1 A 64 64 GLY N N 64 107.373 119.169 -11.796 1
1 420 . 18 1 1 A 65 65 PRO HA H 65 4.004 4.841 -0.837 1
1 423 . 18 1 1 A 66 66 TRP H H 66 8.894 8.671 0.223 1
1 424 . 18 1 1 A 66 66 TRP HA H 66 5.340 4.554 0.786 1
1 433 . 18 1 1 A 66 66 TRP N N 66 122.955 113.349 9.606 1
1 435 . 18 1 1 A 67 67 CYS H H 67 8.673 7.659 1.014 1
1 436 . 18 1 1 A 67 67 CYS HA H 67 4.427 5.143 -0.716 1
1 439 . 18 1 1 A 67 67 CYS N N 67 109.130 122.431 -13.301 1
1 441 . 18 1 1 A 68 68 TYR HA H 68 5.167 4.436 0.731 1
1 448 . 18 1 1 A 68 68 TYR N N 68 121.963 141.389 -19.426 1
1 449 . 18 1 1 A 69 69 THR H H 69 7.813 8.673 -0.860 1
1 450 . 18 1 1 A 69 69 THR HA H 69 5.255 4.217 1.038 1
1 456 . 18 1 1 A 69 69 THR N N 69 111.504 117.744 -6.240 1
1 457 . 18 1 1 A 70 70 THR H H 70 7.778 7.102 0.676 1
1 458 . 18 1 1 A 70 70 THR HA H 70 3.977 4.721 -0.744 1
1 463 . 18 1 1 A 70 70 THR N N 70 105.004 115.063 -10.059 1
1 464 . 18 1 1 A 71 71 ASN H H 71 8.714 8.542 0.172 1
1 465 . 18 1 1 A 71 71 ASN HA H 71 5.035 4.290 0.745 1
1 470 . 18 1 1 A 71 71 ASN N N 71 122.506 120.278 2.228 1
1 472 . 18 1 1 A 72 72 PRO HA H 72 3.766 5.150 -1.384 1
1 476 . 18 1 1 A 73 73 ARG H H 73 8.036 8.704 -0.668 1
1 477 . 18 1 1 A 73 73 ARG HA H 73 4.384 5.134 -0.750 1
1 482 . 18 1 1 A 73 73 ARG N N 73 113.053 119.656 -6.603 1
1 484 . 18 1 1 A 74 74 LYS H H 74 7.664 8.906 -1.242 1
1 485 . 18 1 1 A 74 74 LYS HA H 74 4.597 5.028 -0.431 1
1 489 . 18 1 1 A 74 74 LYS N N 74 121.711 118.918 2.793 1
1 490 . 18 1 1 A 75 75 LEU H H 75 8.805 9.378 -0.573 1
1 491 . 18 1 1 A 75 75 LEU HA H 75 2.354 5.233 -2.879 1
1 492 . 18 1 1 A 75 75 LEU N N 75 130.480 120.409 10.071 1
1 493 . 18 1 1 A 76 76 TYR H H 76 7.149 8.920 -1.771 1
1 494 . 18 1 1 A 76 76 TYR HA H 76 5.410 5.037 0.373 1
1 499 . 18 1 1 A 76 76 TYR N N 76 107.886 123.595 -15.709 1
1 500 . 18 1 1 A 77 77 ASP H H 77 8.557 8.663 -0.106 1
1 501 . 18 1 1 A 77 77 ASP HA H 77 4.095 4.744 -0.649 1
1 504 . 18 1 1 A 77 77 ASP N N 77 116.171 125.090 -8.919 1
1 506 . 18 1 1 A 78 78 TYR HA H 78 4.577 4.508 0.069 1
1 513 . 18 1 1 A 78 78 TYR N N 78 118.199 141.263 -23.064 1
1 514 . 18 1 1 A 79 79 CYS H H 79 8.718 8.466 0.252 1
1 515 . 18 1 1 A 79 79 CYS HA H 79 4.758 4.323 0.435 1
1 518 . 18 1 1 A 79 79 CYS N N 79 116.747 120.732 -3.985 1
1 519 . 18 1 1 A 80 80 ASP H H 80 9.093 9.708 -0.615 1
1 520 . 18 1 1 A 80 80 ASP HA H 80 4.568 4.195 0.373 1
1 523 . 18 1 1 A 80 80 ASP N N 80 122.193 126.068 -3.875 1
1 524 . 18 1 1 A 81 81 VAL H H 81 7.782 7.133 0.649 1
1 525 . 18 1 1 A 81 81 VAL HA H 81 4.102 4.391 -0.289 1
1 533 . 18 1 1 A 81 81 VAL N N 81 123.869 121.780 2.089 1
1 5 . 19 1 1 A 2 2 ASN H H 2 8.147 8.621 -0.474 1
1 6 . 19 1 1 A 2 2 ASN HA H 2 4.619 5.164 -0.545 1
1 10 . 19 1 1 A 2 2 ASN N N 2 117.923 120.270 -2.347 1
1 12 . 19 1 1 A 3 3 ALA H H 3 8.340 8.954 -0.614 1
1 13 . 19 1 1 A 3 3 ALA HA H 3 4.234 5.071 -0.837 1
1 17 . 19 1 1 A 3 3 ALA N N 3 124.095 119.297 4.798 1
1 18 . 19 1 1 A 4 4 ASP H H 4 8.408 9.628 -1.220 1
1 22 . 19 1 1 A 4 4 ASP N N 4 120.996 114.927 6.069 1
1 23 . 19 1 1 A 5 5 CYS H H 5 8.035 8.834 -0.799 1
1 24 . 19 1 1 A 5 5 CYS HA H 5 4.947 4.740 0.207 1
1 26 . 19 1 1 A 5 5 CYS N N 5 118.050 125.068 -7.018 1
1 27 . 19 1 1 A 6 6 MET H H 6 9.169 7.489 1.680 1
1 31 . 19 1 1 A 6 6 MET N N 6 117.506 107.112 10.394 1
1 32 . 19 1 1 A 7 7 PHE H H 7 9.290 8.536 0.754 1
1 33 . 19 1 1 A 7 7 PHE HA H 7 4.961 4.314 0.647 1
1 41 . 19 1 1 A 7 7 PHE N N 7 119.609 120.312 -0.703 1
1 42 . 19 1 1 A 8 8 GLY H H 8 9.314 8.066 1.248 1
1 43 . 19 1 1 A 8 8 GLY HA2 H 8 3.817 3.991 -0.174 1
1 44 . 19 1 1 A 8 8 GLY HA3 H 8 4.038 3.996 0.042 1
1 45 . 19 1 1 A 8 8 GLY N N 8 115.285 107.752 7.533 1
1 46 . 19 1 1 A 9 9 ASN H H 9 8.563 7.899 0.664 1
1 47 . 19 1 1 A 9 9 ASN HA H 9 4.788 4.617 0.171 1
1 52 . 19 1 1 A 9 9 ASN N N 9 121.190 121.757 -0.567 1
1 54 . 19 1 1 A 10 10 GLY H H 10 8.650 8.914 -0.264 1
1 57 . 19 1 1 A 10 10 GLY N N 10 104.975 128.702 -23.727 1
1 58 . 19 1 1 A 11 11 LYS H H 11 8.616 7.495 1.121 1
1 63 . 19 1 1 A 11 11 LYS N N 11 124.787 108.299 16.488 1
1 64 . 19 1 1 A 12 12 GLY H H 12 8.674 9.133 -0.459 1
1 67 . 19 1 1 A 12 12 GLY N N 12 102.671 116.031 -13.360 1
1 68 . 19 1 1 A 13 13 TYR H H 13 7.632 7.818 -0.186 1
1 69 . 19 1 1 A 13 13 TYR HA H 13 4.456 4.481 -0.025 1
1 76 . 19 1 1 A 13 13 TYR N N 13 120.588 120.590 -0.002 1
1 77 . 19 1 1 A 14 14 ARG H H 14 9.249 8.918 0.331 1
1 78 . 19 1 1 A 14 14 ARG HA H 14 4.109 4.535 -0.426 1
1 82 . 19 1 1 A 14 14 ARG N N 14 131.346 117.138 14.208 1
1 84 . 19 1 1 A 15 15 GLY H H 15 4.280 7.504 -3.224 1
1 87 . 19 1 1 A 15 15 GLY N N 15 104.876 111.289 -6.413 1
1 88 . 19 1 1 A 16 16 LYS H H 16 8.781 8.895 -0.114 1
1 89 . 19 1 1 A 16 16 LYS HA H 16 4.167 4.885 -0.718 1
1 95 . 19 1 1 A 16 16 LYS N N 16 116.399 116.086 0.313 1
1 96 . 19 1 1 A 17 17 ARG H H 17 7.493 9.031 -1.538 1
1 97 . 19 1 1 A 17 17 ARG HA H 17 4.360 3.984 0.376 1
1 104 . 19 1 1 A 17 17 ARG N N 17 121.452 117.847 3.605 1
1 106 . 19 1 1 A 18 18 VAL H H 18 8.298 7.671 0.627 1
1 107 . 19 1 1 A 18 18 VAL HA H 18 5.005 4.434 0.571 1
1 115 . 19 1 1 A 18 18 VAL N N 18 113.240 111.213 2.027 1
1 116 . 19 1 1 A 19 19 THR H H 19 7.209 8.087 -0.878 1
1 122 . 19 1 1 A 19 19 THR N N 19 111.368 111.755 -0.387 1
1 123 . 19 1 1 A 20 20 THR H H 20 8.518 7.692 0.826 1
1 124 . 19 1 1 A 20 20 THR HA H 20 4.605 4.351 0.254 1
1 129 . 19 1 1 A 20 20 THR N N 20 110.279 117.145 -6.866 1
1 131 . 19 1 1 A 21 21 VAL HA H 21 4.049 4.603 -0.554 1
1 139 . 19 1 1 A 21 21 VAL N N 21 116.629 142.137 -25.508 1
1 140 . 19 1 1 A 22 22 THR H H 22 7.376 8.458 -1.082 1
1 141 . 19 1 1 A 22 22 THR HA H 22 4.521 4.624 -0.103 1
1 145 . 19 1 1 A 22 22 THR N N 22 108.221 122.222 -14.001 1
1 146 . 19 1 1 A 23 23 GLY H H 23 8.345 9.046 -0.701 1
1 149 . 19 1 1 A 23 23 GLY N N 23 110.656 124.632 -13.976 1
1 150 . 19 1 1 A 24 24 THR H H 24 7.330 8.722 -1.392 1
1 151 . 19 1 1 A 24 24 THR HA H 24 4.419 5.064 -0.645 1
1 156 . 19 1 1 A 24 24 THR N N 24 119.053 122.938 -3.885 1
1 157 . 19 1 1 A 25 25 PRO HA H 25 4.601 4.757 -0.156 1
1 161 . 19 1 1 A 26 26 CYS H H 26 8.451 7.727 0.724 1
1 162 . 19 1 1 A 26 26 CYS HA H 26 4.715 4.285 0.430 1
1 165 . 19 1 1 A 26 26 CYS N N 26 123.739 121.092 2.647 1
1 166 . 19 1 1 A 27 27 GLN H H 27 9.557 8.331 1.226 1
1 167 . 19 1 1 A 27 27 GLN HA H 27 3.946 4.511 -0.565 1
1 174 . 19 1 1 A 27 27 GLN N N 27 126.620 119.860 6.760 1
1 176 . 19 1 1 A 28 28 ASP H H 28 8.849 8.754 0.095 1
1 177 . 19 1 1 A 28 28 ASP HA H 28 4.419 4.955 -0.536 1
1 180 . 19 1 1 A 28 28 ASP N N 28 126.815 119.824 6.991 1
1 181 . 19 1 1 A 29 29 TRP H H 29 7.982 7.854 0.128 1
1 182 . 19 1 1 A 29 29 TRP HA H 29 4.198 4.735 -0.537 1
1 191 . 19 1 1 A 29 29 TRP N N 29 123.876 118.168 5.708 1
1 194 . 19 1 1 A 30 30 ALA HA H 30 4.334 4.577 -0.243 1
1 198 . 19 1 1 A 30 30 ALA N N 30 114.831 139.118 -24.287 1
1 199 . 19 1 1 A 31 31 ALA H H 31 7.855 7.547 0.308 1
1 200 . 19 1 1 A 31 31 ALA HA H 31 4.604 4.891 -0.287 1
1 204 . 19 1 1 A 31 31 ALA N N 31 119.366 118.926 0.440 1
1 205 . 19 1 1 A 32 32 GLN H H 32 6.836 8.560 -1.724 1
1 206 . 19 1 1 A 32 32 GLN HA H 32 4.254 4.292 -0.038 1
1 213 . 19 1 1 A 32 32 GLN N N 32 115.145 122.956 -7.811 1
1 215 . 19 1 1 A 33 33 GLU H H 33 8.729 8.694 0.035 1
1 216 . 19 1 1 A 33 33 GLU HA H 33 4.464 5.204 -0.740 1
1 221 . 19 1 1 A 33 33 GLU N N 33 118.546 119.048 -0.502 1
1 222 . 19 1 1 A 34 34 PRO HA H 34 4.507 4.328 0.179 1
1 226 . 19 1 1 A 35 35 HIS H H 35 9.736 7.408 2.328 1
1 227 . 19 1 1 A 35 35 HIS HA H 35 4.861 4.450 0.411 1
1 230 . 19 1 1 A 35 35 HIS N N 35 117.871 117.579 0.292 1
1 231 . 19 1 1 A 36 36 ARG H H 36 9.255 7.793 1.462 1
1 232 . 19 1 1 A 36 36 ARG HA H 36 4.368 4.735 -0.367 1
1 234 . 19 1 1 A 36 36 ARG N N 36 119.886 119.061 0.825 1
1 235 . 19 1 1 A 37 37 HIS H H 37 8.487 8.034 0.453 1
1 236 . 19 1 1 A 37 37 HIS HA H 37 4.969 5.074 -0.105 1
1 242 . 19 1 1 A 37 37 HIS N N 37 118.654 110.082 8.572 1
1 245 . 19 1 1 A 38 38 SER HA H 38 4.516 4.401 0.115 1
1 248 . 19 1 1 A 38 38 SER N N 38 126.261 136.599 -10.338 1
1 249 . 19 1 1 A 39 39 ILE H H 39 8.191 8.424 -0.233 1
1 250 . 19 1 1 A 39 39 ILE HA H 39 5.197 4.208 0.989 1
1 259 . 19 1 1 A 39 39 ILE N N 39 106.468 117.074 -10.606 1
1 260 . 19 1 1 A 40 40 PHE H H 40 8.158 7.691 0.467 1
1 261 . 19 1 1 A 40 40 PHE HA H 40 4.099 4.256 -0.157 1
1 269 . 19 1 1 A 40 40 PHE N N 40 116.320 111.508 4.812 1
1 270 . 19 1 1 A 41 41 THR H H 41 7.254 7.862 -0.608 1
1 271 . 19 1 1 A 41 41 THR HA H 41 4.503 5.213 -0.710 1
1 273 . 19 1 1 A 41 41 THR N N 41 113.915 119.601 -5.686 1
1 274 . 19 1 1 A 42 42 PRO HA H 42 4.166 4.493 -0.327 1
1 280 . 19 1 1 A 43 43 GLU H H 43 7.824 8.446 -0.622 1
1 281 . 19 1 1 A 43 43 GLU HA H 43 4.161 4.283 -0.122 1
1 284 . 19 1 1 A 43 43 GLU N N 43 112.032 117.265 -5.233 1
1 285 . 19 1 1 A 44 44 THR H H 44 7.859 7.380 0.479 1
1 286 . 19 1 1 A 44 44 THR HA H 44 4.213 4.360 -0.147 1
1 287 . 19 1 1 A 44 44 THR N N 44 109.971 120.701 -10.730 1
1 288 . 19 1 1 A 45 45 ASN H H 45 7.828 7.844 -0.016 1
1 294 . 19 1 1 A 45 45 ASN N N 45 118.292 107.597 10.695 1
1 299 . 19 1 1 A 47 47 ARG H H 47 8.778 8.183 0.595 1
1 300 . 19 1 1 A 47 47 ARG HA H 47 4.594 4.735 -0.141 1
1 307 . 19 1 1 A 47 47 ARG N N 47 117.742 120.809 -3.067 1
1 309 . 19 1 1 A 48 48 ALA H H 48 7.139 9.010 -1.871 1
1 310 . 19 1 1 A 48 48 ALA HA H 48 4.439 3.943 0.496 1
1 314 . 19 1 1 A 48 48 ALA N N 48 119.525 119.291 0.234 1
1 315 . 19 1 1 A 49 49 GLY H H 49 8.256 8.161 0.095 1
1 318 . 19 1 1 A 49 49 GLY N N 49 108.423 122.133 -13.710 1
1 319 . 19 1 1 A 50 50 LEU H H 50 9.144 7.363 1.781 1
1 320 . 19 1 1 A 50 50 LEU HA H 50 3.268 4.776 -1.508 1
1 330 . 19 1 1 A 50 50 LEU N N 50 121.605 121.395 0.210 1
1 331 . 19 1 1 A 51 51 GLU H H 51 7.651 9.431 -1.780 1
1 332 . 19 1 1 A 51 51 GLU HA H 51 4.504 4.952 -0.448 1
1 335 . 19 1 1 A 51 51 GLU N N 51 124.470 123.044 1.426 1
1 336 . 19 1 1 A 52 52 LYS H H 52 8.878 8.675 0.203 1
1 337 . 19 1 1 A 52 52 LYS HA H 52 3.618 5.097 -1.479 1
1 341 . 19 1 1 A 52 52 LYS N N 52 118.010 122.098 -4.088 1
1 342 . 19 1 1 A 53 53 ASN H H 53 7.874 8.284 -0.410 1
1 343 . 19 1 1 A 53 53 ASN HA H 53 4.574 5.240 -0.666 1
1 348 . 19 1 1 A 53 53 ASN N N 53 122.833 120.064 2.769 1
1 351 . 19 1 1 A 54 54 TYR HA H 54 4.992 4.398 0.594 1
1 358 . 19 1 1 A 54 54 TYR N N 54 112.865 138.547 -25.682 1
1 359 . 19 1 1 A 55 55 CYS H H 55 8.917 8.095 0.822 1
1 360 . 19 1 1 A 55 55 CYS HA H 55 4.488 4.815 -0.327 1
1 363 . 19 1 1 A 55 55 CYS N N 55 118.745 115.466 3.279 1
1 364 . 19 1 1 A 56 56 ARG H H 56 9.470 7.870 1.600 1
1 372 . 19 1 1 A 56 56 ARG N N 56 123.525 109.352 14.173 1
1 374 . 19 1 1 A 57 57 ASN H H 57 8.417 8.630 -0.213 1
1 375 . 19 1 1 A 57 57 ASN HA H 57 5.540 4.652 0.888 1
1 380 . 19 1 1 A 57 57 ASN N N 57 113.293 120.686 -7.393 1
1 382 . 19 1 1 A 58 58 PRO HA H 58 4.454 4.256 0.198 1
1 389 . 19 1 1 A 59 59 ASP H H 59 9.547 7.740 1.807 1
1 393 . 19 1 1 A 59 59 ASP N N 59 114.552 110.034 4.518 1
1 394 . 19 1 1 A 60 60 GLY H H 60 7.436 7.550 -0.114 1
1 395 . 19 1 1 A 60 60 GLY HA2 H 60 3.311 4.179 -0.868 1
1 396 . 19 1 1 A 60 60 GLY HA3 H 60 3.799 4.179 -0.380 1
1 397 . 19 1 1 A 60 60 GLY N N 60 109.636 106.878 2.758 1
1 399 . 19 1 1 A 61 61 ASP HA H 61 4.369 4.913 -0.544 1
1 401 . 19 1 1 A 61 61 ASP N N 61 123.255 133.107 -9.852 1
1 402 . 19 1 1 A 62 62 VAL H H 62 8.871 9.113 -0.242 1
1 403 . 19 1 1 A 62 62 VAL HA H 62 3.997 5.275 -1.278 1
1 411 . 19 1 1 A 62 62 VAL N N 62 127.998 118.345 9.653 1
1 412 . 19 1 1 A 63 63 GLY H H 63 9.855 8.864 0.991 1
1 415 . 19 1 1 A 63 63 GLY N N 63 109.474 117.175 -7.701 1
1 416 . 19 1 1 A 64 64 GLY H H 64 7.718 8.143 -0.425 1
1 419 . 19 1 1 A 64 64 GLY N N 64 107.373 119.363 -11.990 1
1 420 . 19 1 1 A 65 65 PRO HA H 65 4.004 4.891 -0.887 1
1 423 . 19 1 1 A 66 66 TRP H H 66 8.894 8.633 0.261 1
1 424 . 19 1 1 A 66 66 TRP HA H 66 5.340 4.516 0.824 1
1 433 . 19 1 1 A 66 66 TRP N N 66 122.955 113.311 9.644 1
1 435 . 19 1 1 A 67 67 CYS H H 67 8.673 7.849 0.824 1
1 436 . 19 1 1 A 67 67 CYS HA H 67 4.427 5.103 -0.676 1
1 439 . 19 1 1 A 67 67 CYS N N 67 109.130 122.559 -13.429 1
1 441 . 19 1 1 A 68 68 TYR HA H 68 5.167 4.461 0.706 1
1 448 . 19 1 1 A 68 68 TYR N N 68 121.963 141.693 -19.730 1
1 449 . 19 1 1 A 69 69 THR H H 69 7.813 8.554 -0.741 1
1 450 . 19 1 1 A 69 69 THR HA H 69 5.255 4.237 1.018 1
1 456 . 19 1 1 A 69 69 THR N N 69 111.504 117.469 -5.965 1
1 457 . 19 1 1 A 70 70 THR H H 70 7.778 7.279 0.499 1
1 458 . 19 1 1 A 70 70 THR HA H 70 3.977 4.694 -0.717 1
1 463 . 19 1 1 A 70 70 THR N N 70 105.004 115.329 -10.325 1
1 464 . 19 1 1 A 71 71 ASN H H 71 8.714 8.636 0.078 1
1 465 . 19 1 1 A 71 71 ASN HA H 71 5.035 4.366 0.669 1
1 470 . 19 1 1 A 71 71 ASN N N 71 122.506 120.313 2.193 1
1 472 . 19 1 1 A 72 72 PRO HA H 72 3.766 5.168 -1.402 1
1 476 . 19 1 1 A 73 73 ARG H H 73 8.036 8.719 -0.683 1
1 477 . 19 1 1 A 73 73 ARG HA H 73 4.384 4.928 -0.544 1
1 482 . 19 1 1 A 73 73 ARG N N 73 113.053 120.005 -6.952 1
1 484 . 19 1 1 A 74 74 LYS H H 74 7.664 8.873 -1.209 1
1 485 . 19 1 1 A 74 74 LYS HA H 74 4.597 4.982 -0.385 1
1 489 . 19 1 1 A 74 74 LYS N N 74 121.711 118.522 3.189 1
1 490 . 19 1 1 A 75 75 LEU H H 75 8.805 9.448 -0.643 1
1 491 . 19 1 1 A 75 75 LEU HA H 75 2.354 5.229 -2.875 1
1 492 . 19 1 1 A 75 75 LEU N N 75 130.480 120.160 10.320 1
1 493 . 19 1 1 A 76 76 TYR H H 76 7.149 8.423 -1.274 1
1 494 . 19 1 1 A 76 76 TYR HA H 76 5.410 5.001 0.409 1
1 499 . 19 1 1 A 76 76 TYR N N 76 107.886 123.480 -15.594 1
1 500 . 19 1 1 A 77 77 ASP H H 77 8.557 8.723 -0.166 1
1 501 . 19 1 1 A 77 77 ASP HA H 77 4.095 4.723 -0.628 1
1 504 . 19 1 1 A 77 77 ASP N N 77 116.171 124.973 -8.802 1
1 506 . 19 1 1 A 78 78 TYR HA H 78 4.577 4.489 0.088 1
1 513 . 19 1 1 A 78 78 TYR N N 78 118.199 140.726 -22.527 1
1 514 . 19 1 1 A 79 79 CYS H H 79 8.718 8.472 0.246 1
1 515 . 19 1 1 A 79 79 CYS HA H 79 4.758 4.198 0.560 1
1 518 . 19 1 1 A 79 79 CYS N N 79 116.747 120.841 -4.094 1
1 519 . 19 1 1 A 80 80 ASP H H 80 9.093 9.524 -0.431 1
1 520 . 19 1 1 A 80 80 ASP HA H 80 4.568 4.242 0.326 1
1 523 . 19 1 1 A 80 80 ASP N N 80 122.193 125.732 -3.539 1
1 524 . 19 1 1 A 81 81 VAL H H 81 7.782 7.173 0.609 1
1 525 . 19 1 1 A 81 81 VAL HA H 81 4.102 4.489 -0.387 1
1 533 . 19 1 1 A 81 81 VAL N N 81 123.869 121.394 2.475 1
1 5 . 20 1 1 A 2 2 ASN H H 2 8.147 8.719 -0.572 1
1 6 . 20 1 1 A 2 2 ASN HA H 2 4.619 5.255 -0.636 1
1 10 . 20 1 1 A 2 2 ASN N N 2 117.923 120.202 -2.279 1
1 12 . 20 1 1 A 3 3 ALA H H 3 8.340 9.044 -0.704 1
1 13 . 20 1 1 A 3 3 ALA HA H 3 4.234 5.123 -0.889 1
1 17 . 20 1 1 A 3 3 ALA N N 3 124.095 120.526 3.569 1
1 18 . 20 1 1 A 4 4 ASP H H 4 8.408 9.577 -1.169 1
1 22 . 20 1 1 A 4 4 ASP N N 4 120.996 114.858 6.138 1
1 23 . 20 1 1 A 5 5 CYS H H 5 8.035 8.865 -0.830 1
1 24 . 20 1 1 A 5 5 CYS HA H 5 4.947 4.730 0.217 1
1 26 . 20 1 1 A 5 5 CYS N N 5 118.050 125.070 -7.020 1
1 27 . 20 1 1 A 6 6 MET H H 6 9.169 7.956 1.213 1
1 31 . 20 1 1 A 6 6 MET N N 6 117.506 107.055 10.451 1
1 32 . 20 1 1 A 7 7 PHE H H 7 9.290 8.531 0.759 1
1 33 . 20 1 1 A 7 7 PHE HA H 7 4.961 4.278 0.683 1
1 41 . 20 1 1 A 7 7 PHE N N 7 119.609 120.400 -0.791 1
1 42 . 20 1 1 A 8 8 GLY H H 8 9.314 8.090 1.224 1
1 43 . 20 1 1 A 8 8 GLY HA2 H 8 3.817 3.990 -0.173 1
1 44 . 20 1 1 A 8 8 GLY HA3 H 8 4.038 3.994 0.044 1
1 45 . 20 1 1 A 8 8 GLY N N 8 115.285 107.688 7.597 1
1 46 . 20 1 1 A 9 9 ASN H H 9 8.563 7.728 0.835 1
1 47 . 20 1 1 A 9 9 ASN HA H 9 4.788 4.699 0.089 1
1 52 . 20 1 1 A 9 9 ASN N N 9 121.190 121.675 -0.485 1
1 54 . 20 1 1 A 10 10 GLY H H 10 8.650 8.915 -0.265 1
1 57 . 20 1 1 A 10 10 GLY N N 10 104.975 128.575 -23.600 1
1 58 . 20 1 1 A 11 11 LYS H H 11 8.616 7.456 1.160 1
1 63 . 20 1 1 A 11 11 LYS N N 11 124.787 108.647 16.140 1
1 64 . 20 1 1 A 12 12 GLY H H 12 8.674 9.301 -0.627 1
1 67 . 20 1 1 A 12 12 GLY N N 12 102.671 116.657 -13.986 1
1 68 . 20 1 1 A 13 13 TYR H H 13 7.632 7.878 -0.246 1
1 69 . 20 1 1 A 13 13 TYR HA H 13 4.456 4.462 -0.006 1
1 76 . 20 1 1 A 13 13 TYR N N 13 120.588 120.906 -0.318 1
1 77 . 20 1 1 A 14 14 ARG H H 14 9.249 8.921 0.328 1
1 78 . 20 1 1 A 14 14 ARG HA H 14 4.109 4.616 -0.507 1
1 82 . 20 1 1 A 14 14 ARG N N 14 131.346 117.341 14.005 1
1 84 . 20 1 1 A 15 15 GLY H H 15 4.280 7.568 -3.288 1
1 87 . 20 1 1 A 15 15 GLY N N 15 104.876 115.842 -10.966 1
1 88 . 20 1 1 A 16 16 LYS H H 16 8.781 9.048 -0.267 1
1 89 . 20 1 1 A 16 16 LYS HA H 16 4.167 4.610 -0.443 1
1 95 . 20 1 1 A 16 16 LYS N N 16 116.399 117.364 -0.965 1
1 96 . 20 1 1 A 17 17 ARG H H 17 7.493 9.413 -1.920 1
1 97 . 20 1 1 A 17 17 ARG HA H 17 4.360 3.868 0.492 1
1 104 . 20 1 1 A 17 17 ARG N N 17 121.452 118.150 3.302 1
1 106 . 20 1 1 A 18 18 VAL H H 18 8.298 7.639 0.659 1
1 107 . 20 1 1 A 18 18 VAL HA H 18 5.005 4.441 0.564 1
1 115 . 20 1 1 A 18 18 VAL N N 18 113.240 111.129 2.111 1
1 116 . 20 1 1 A 19 19 THR H H 19 7.209 8.170 -0.961 1
1 122 . 20 1 1 A 19 19 THR N N 19 111.368 111.912 -0.544 1
1 123 . 20 1 1 A 20 20 THR H H 20 8.518 7.692 0.826 1
1 124 . 20 1 1 A 20 20 THR HA H 20 4.605 4.362 0.243 1
1 129 . 20 1 1 A 20 20 THR N N 20 110.279 116.847 -6.568 1
1 131 . 20 1 1 A 21 21 VAL HA H 21 4.049 4.475 -0.426 1
1 139 . 20 1 1 A 21 21 VAL N N 21 116.629 141.975 -25.346 1
1 140 . 20 1 1 A 22 22 THR H H 22 7.376 8.666 -1.290 1
1 141 . 20 1 1 A 22 22 THR HA H 22 4.521 4.724 -0.203 1
1 145 . 20 1 1 A 22 22 THR N N 22 108.221 122.337 -14.116 1
1 146 . 20 1 1 A 23 23 GLY H H 23 8.345 9.102 -0.757 1
1 149 . 20 1 1 A 23 23 GLY N N 23 110.656 124.668 -14.012 1
1 150 . 20 1 1 A 24 24 THR H H 24 7.330 8.711 -1.381 1
1 151 . 20 1 1 A 24 24 THR HA H 24 4.419 4.932 -0.513 1
1 156 . 20 1 1 A 24 24 THR N N 24 119.053 122.929 -3.876 1
1 157 . 20 1 1 A 25 25 PRO HA H 25 4.601 4.730 -0.129 1
1 161 . 20 1 1 A 26 26 CYS H H 26 8.451 7.713 0.738 1
1 162 . 20 1 1 A 26 26 CYS HA H 26 4.715 4.290 0.425 1
1 165 . 20 1 1 A 26 26 CYS N N 26 123.739 120.941 2.798 1
1 166 . 20 1 1 A 27 27 GLN H H 27 9.557 8.166 1.391 1
1 167 . 20 1 1 A 27 27 GLN HA H 27 3.946 4.442 -0.496 1
1 174 . 20 1 1 A 27 27 GLN N N 27 126.620 120.440 6.180 1
1 176 . 20 1 1 A 28 28 ASP H H 28 8.849 8.809 0.040 1
1 177 . 20 1 1 A 28 28 ASP HA H 28 4.419 4.723 -0.304 1
1 180 . 20 1 1 A 28 28 ASP N N 28 126.815 119.227 7.588 1
1 181 . 20 1 1 A 29 29 TRP H H 29 7.982 7.649 0.333 1
1 182 . 20 1 1 A 29 29 TRP HA H 29 4.198 4.812 -0.614 1
1 191 . 20 1 1 A 29 29 TRP N N 29 123.876 118.156 5.720 1
1 194 . 20 1 1 A 30 30 ALA HA H 30 4.334 4.491 -0.157 1
1 198 . 20 1 1 A 30 30 ALA N N 30 114.831 137.325 -22.494 1
1 199 . 20 1 1 A 31 31 ALA H H 31 7.855 7.543 0.312 1
1 200 . 20 1 1 A 31 31 ALA HA H 31 4.604 5.035 -0.431 1
1 204 . 20 1 1 A 31 31 ALA N N 31 119.366 118.530 0.836 1
1 205 . 20 1 1 A 32 32 GLN H H 32 6.836 8.870 -2.034 1
1 206 . 20 1 1 A 32 32 GLN HA H 32 4.254 5.015 -0.761 1
1 213 . 20 1 1 A 32 32 GLN N N 32 115.145 124.805 -9.660 1
1 215 . 20 1 1 A 33 33 GLU H H 33 8.729 8.661 0.068 1
1 216 . 20 1 1 A 33 33 GLU HA H 33 4.464 5.206 -0.742 1
1 221 . 20 1 1 A 33 33 GLU N N 33 118.546 119.979 -1.433 1
1 222 . 20 1 1 A 34 34 PRO HA H 34 4.507 4.408 0.099 1
1 226 . 20 1 1 A 35 35 HIS H H 35 9.736 7.419 2.317 1
1 227 . 20 1 1 A 35 35 HIS HA H 35 4.861 4.483 0.378 1
1 230 . 20 1 1 A 35 35 HIS N N 35 117.871 116.610 1.261 1
1 231 . 20 1 1 A 36 36 ARG H H 36 9.255 8.248 1.007 1
1 232 . 20 1 1 A 36 36 ARG HA H 36 4.368 4.846 -0.478 1
1 234 . 20 1 1 A 36 36 ARG N N 36 119.886 119.088 0.798 1
1 235 . 20 1 1 A 37 37 HIS H H 37 8.487 8.071 0.416 1
1 236 . 20 1 1 A 37 37 HIS HA H 37 4.969 5.104 -0.135 1
1 242 . 20 1 1 A 37 37 HIS N N 37 118.654 110.062 8.592 1
1 245 . 20 1 1 A 38 38 SER HA H 38 4.516 4.437 0.079 1
1 248 . 20 1 1 A 38 38 SER N N 38 126.261 136.180 -9.919 1
1 249 . 20 1 1 A 39 39 ILE H H 39 8.191 8.415 -0.224 1
1 250 . 20 1 1 A 39 39 ILE HA H 39 5.197 4.218 0.979 1
1 259 . 20 1 1 A 39 39 ILE N N 39 106.468 116.946 -10.478 1
1 260 . 20 1 1 A 40 40 PHE H H 40 8.158 7.612 0.546 1
1 261 . 20 1 1 A 40 40 PHE HA H 40 4.099 4.396 -0.297 1
1 269 . 20 1 1 A 40 40 PHE N N 40 116.320 110.443 5.877 1
1 270 . 20 1 1 A 41 41 THR H H 41 7.254 7.939 -0.685 1
1 271 . 20 1 1 A 41 41 THR HA H 41 4.503 5.233 -0.730 1
1 273 . 20 1 1 A 41 41 THR N N 41 113.915 119.795 -5.880 1
1 274 . 20 1 1 A 42 42 PRO HA H 42 4.166 4.474 -0.308 1
1 280 . 20 1 1 A 43 43 GLU H H 43 7.824 8.316 -0.492 1
1 281 . 20 1 1 A 43 43 GLU HA H 43 4.161 4.389 -0.228 1
1 284 . 20 1 1 A 43 43 GLU N N 43 112.032 117.425 -5.393 1
1 285 . 20 1 1 A 44 44 THR H H 44 7.859 7.439 0.420 1
1 286 . 20 1 1 A 44 44 THR HA H 44 4.213 4.413 -0.200 1
1 287 . 20 1 1 A 44 44 THR N N 44 109.971 120.662 -10.691 1
1 288 . 20 1 1 A 45 45 ASN H H 45 7.828 8.057 -0.229 1
1 294 . 20 1 1 A 45 45 ASN N N 45 118.292 108.029 10.263 1
1 299 . 20 1 1 A 47 47 ARG H H 47 8.778 8.618 0.160 1
1 300 . 20 1 1 A 47 47 ARG HA H 47 4.594 4.777 -0.183 1
1 307 . 20 1 1 A 47 47 ARG N N 47 117.742 125.846 -8.104 1
1 309 . 20 1 1 A 48 48 ALA H H 48 7.139 8.990 -1.851 1
1 310 . 20 1 1 A 48 48 ALA HA H 48 4.439 3.924 0.515 1
1 314 . 20 1 1 A 48 48 ALA N N 48 119.525 123.016 -3.491 1
1 315 . 20 1 1 A 49 49 GLY H H 49 8.256 8.230 0.026 1
1 318 . 20 1 1 A 49 49 GLY N N 49 108.423 122.188 -13.765 1
1 319 . 20 1 1 A 50 50 LEU H H 50 9.144 7.617 1.527 1
1 320 . 20 1 1 A 50 50 LEU HA H 50 3.268 4.774 -1.506 1
1 330 . 20 1 1 A 50 50 LEU N N 50 121.605 121.398 0.207 1
1 331 . 20 1 1 A 51 51 GLU H H 51 7.651 9.337 -1.686 1
1 332 . 20 1 1 A 51 51 GLU HA H 51 4.504 4.977 -0.473 1
1 335 . 20 1 1 A 51 51 GLU N N 51 124.470 122.890 1.580 1
1 336 . 20 1 1 A 52 52 LYS H H 52 8.878 8.839 0.039 1
1 337 . 20 1 1 A 52 52 LYS HA H 52 3.618 4.982 -1.364 1
1 341 . 20 1 1 A 52 52 LYS N N 52 118.010 122.483 -4.473 1
1 342 . 20 1 1 A 53 53 ASN H H 53 7.874 8.393 -0.519 1
1 343 . 20 1 1 A 53 53 ASN HA H 53 4.574 5.319 -0.745 1
1 348 . 20 1 1 A 53 53 ASN N N 53 122.833 120.463 2.370 1
1 351 . 20 1 1 A 54 54 TYR HA H 54 4.992 4.426 0.566 1
1 358 . 20 1 1 A 54 54 TYR N N 54 112.865 138.958 -26.093 1
1 359 . 20 1 1 A 55 55 CYS H H 55 8.917 8.135 0.782 1
1 360 . 20 1 1 A 55 55 CYS HA H 55 4.488 4.865 -0.377 1
1 363 . 20 1 1 A 55 55 CYS N N 55 118.745 117.761 0.984 1
1 364 . 20 1 1 A 56 56 ARG H H 56 9.470 7.970 1.500 1
1 372 . 20 1 1 A 56 56 ARG N N 56 123.525 108.484 15.041 1
1 374 . 20 1 1 A 57 57 ASN H H 57 8.417 8.254 0.163 1
1 375 . 20 1 1 A 57 57 ASN HA H 57 5.540 4.600 0.940 1
1 380 . 20 1 1 A 57 57 ASN N N 57 113.293 120.871 -7.578 1
1 382 . 20 1 1 A 58 58 PRO HA H 58 4.454 4.313 0.141 1
1 389 . 20 1 1 A 59 59 ASP H H 59 9.547 7.958 1.589 1
1 393 . 20 1 1 A 59 59 ASP N N 59 114.552 109.844 4.708 1
1 394 . 20 1 1 A 60 60 GLY H H 60 7.436 7.589 -0.153 1
1 395 . 20 1 1 A 60 60 GLY HA2 H 60 3.311 4.147 -0.836 1
1 396 . 20 1 1 A 60 60 GLY HA3 H 60 3.799 4.161 -0.362 1
1 397 . 20 1 1 A 60 60 GLY N N 60 109.636 106.618 3.018 1
1 399 . 20 1 1 A 61 61 ASP HA H 61 4.369 4.961 -0.592 1
1 401 . 20 1 1 A 61 61 ASP N N 61 123.255 133.128 -9.873 1
1 402 . 20 1 1 A 62 62 VAL H H 62 8.871 8.869 0.002 1
1 403 . 20 1 1 A 62 62 VAL HA H 62 3.997 5.356 -1.359 1
1 411 . 20 1 1 A 62 62 VAL N N 62 127.998 118.354 9.644 1
1 412 . 20 1 1 A 63 63 GLY H H 63 9.855 8.950 0.905 1
1 415 . 20 1 1 A 63 63 GLY N N 63 109.474 116.856 -7.382 1
1 416 . 20 1 1 A 64 64 GLY H H 64 7.718 8.051 -0.333 1
1 419 . 20 1 1 A 64 64 GLY N N 64 107.373 119.054 -11.681 1
1 420 . 20 1 1 A 65 65 PRO HA H 65 4.004 4.910 -0.906 1
1 423 . 20 1 1 A 66 66 TRP H H 66 8.894 8.534 0.360 1
1 424 . 20 1 1 A 66 66 TRP HA H 66 5.340 4.513 0.827 1
1 433 . 20 1 1 A 66 66 TRP N N 66 122.955 113.607 9.348 1
1 435 . 20 1 1 A 67 67 CYS H H 67 8.673 7.599 1.074 1
1 436 . 20 1 1 A 67 67 CYS HA H 67 4.427 5.178 -0.751 1
1 439 . 20 1 1 A 67 67 CYS N N 67 109.130 121.690 -12.560 1
1 441 . 20 1 1 A 68 68 TYR HA H 68 5.167 4.490 0.677 1
1 448 . 20 1 1 A 68 68 TYR N N 68 121.963 141.493 -19.530 1
1 449 . 20 1 1 A 69 69 THR H H 69 7.813 8.811 -0.998 1
1 450 . 20 1 1 A 69 69 THR HA H 69 5.255 4.207 1.048 1
1 456 . 20 1 1 A 69 69 THR N N 69 111.504 117.818 -6.314 1
1 457 . 20 1 1 A 70 70 THR H H 70 7.778 7.083 0.695 1
1 458 . 20 1 1 A 70 70 THR HA H 70 3.977 4.671 -0.694 1
1 463 . 20 1 1 A 70 70 THR N N 70 105.004 115.383 -10.379 1
1 464 . 20 1 1 A 71 71 ASN H H 71 8.714 8.678 0.036 1
1 465 . 20 1 1 A 71 71 ASN HA H 71 5.035 4.250 0.785 1
1 470 . 20 1 1 A 71 71 ASN N N 71 122.506 120.895 1.611 1
1 472 . 20 1 1 A 72 72 PRO HA H 72 3.766 5.183 -1.417 1
1 476 . 20 1 1 A 73 73 ARG H H 73 8.036 8.595 -0.559 1
1 477 . 20 1 1 A 73 73 ARG HA H 73 4.384 4.810 -0.426 1
1 482 . 20 1 1 A 73 73 ARG N N 73 113.053 119.797 -6.744 1
1 484 . 20 1 1 A 74 74 LYS H H 74 7.664 8.784 -1.120 1
1 485 . 20 1 1 A 74 74 LYS HA H 74 4.597 5.025 -0.428 1
1 489 . 20 1 1 A 74 74 LYS N N 74 121.711 118.786 2.925 1
1 490 . 20 1 1 A 75 75 LEU H H 75 8.805 9.290 -0.485 1
1 491 . 20 1 1 A 75 75 LEU HA H 75 2.354 5.113 -2.759 1
1 492 . 20 1 1 A 75 75 LEU N N 75 130.480 120.686 9.794 1
1 493 . 20 1 1 A 76 76 TYR H H 76 7.149 8.546 -1.397 1
1 494 . 20 1 1 A 76 76 TYR HA H 76 5.410 4.856 0.554 1
1 499 . 20 1 1 A 76 76 TYR N N 76 107.886 119.876 -11.990 1
1 500 . 20 1 1 A 77 77 ASP H H 77 8.557 7.369 1.188 1
1 501 . 20 1 1 A 77 77 ASP HA H 77 4.095 4.341 -0.246 1
1 504 . 20 1 1 A 77 77 ASP N N 77 116.171 120.378 -4.207 1
1 506 . 20 1 1 A 78 78 TYR HA H 78 4.577 4.520 0.057 1
1 513 . 20 1 1 A 78 78 TYR N N 78 118.199 142.193 -23.994 1
1 514 . 20 1 1 A 79 79 CYS H H 79 8.718 8.461 0.257 1
1 515 . 20 1 1 A 79 79 CYS HA H 79 4.758 4.350 0.408 1
1 518 . 20 1 1 A 79 79 CYS N N 79 116.747 120.696 -3.949 1
1 519 . 20 1 1 A 80 80 ASP H H 80 9.093 9.689 -0.596 1
1 520 . 20 1 1 A 80 80 ASP HA H 80 4.568 4.190 0.378 1
1 523 . 20 1 1 A 80 80 ASP N N 80 122.193 125.655 -3.462 1
1 524 . 20 1 1 A 81 81 VAL H H 81 7.782 7.077 0.705 1
1 525 . 20 1 1 A 81 81 VAL HA H 81 4.102 4.407 -0.305 1
1 533 . 20 1 1 A 81 81 VAL N N 81 123.869 121.708 2.161 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 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 66 1.014 1
5 1 1 1 "RMS(OBS, PRED)" HA 67 0.711 1
6 1 1 1 "RMS(OBS, PRED)" N 73 10.183 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 66 1.013 1
11 1 2 1 "RMS(OBS, PRED)" HA 67 0.704 1
12 1 2 1 "RMS(OBS, PRED)" N 73 10.164 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 66 1.011 1
17 1 3 1 "RMS(OBS, PRED)" HA 67 0.710 1
18 1 3 1 "RMS(OBS, PRED)" N 73 10.161 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 66 1.013 1
23 1 4 1 "RMS(OBS, PRED)" HA 67 0.715 1
24 1 4 1 "RMS(OBS, PRED)" N 73 10.182 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 66 1.013 1
29 1 5 1 "RMS(OBS, PRED)" HA 67 0.719 1
30 1 5 1 "RMS(OBS, PRED)" N 73 10.236 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 66 1.027 1
35 1 6 1 "RMS(OBS, PRED)" HA 67 0.711 1
36 1 6 1 "RMS(OBS, PRED)" N 73 10.131 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 66 1.033 1
41 1 7 1 "RMS(OBS, PRED)" HA 67 0.716 1
42 1 7 1 "RMS(OBS, PRED)" N 73 10.190 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 66 1.030 1
47 1 8 1 "RMS(OBS, PRED)" HA 67 0.714 1
48 1 8 1 "RMS(OBS, PRED)" N 73 10.200 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 66 1.009 1
53 1 9 1 "RMS(OBS, PRED)" HA 67 0.730 1
54 1 9 1 "RMS(OBS, PRED)" N 73 10.150 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 66 1.031 1
59 1 10 1 "RMS(OBS, PRED)" HA 67 0.717 1
60 1 10 1 "RMS(OBS, PRED)" N 73 10.213 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 66 1.019 1
65 1 11 1 "RMS(OBS, PRED)" HA 67 0.710 1
66 1 11 1 "RMS(OBS, PRED)" N 73 10.212 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 66 1.009 1
71 1 12 1 "RMS(OBS, PRED)" HA 67 0.700 1
72 1 12 1 "RMS(OBS, PRED)" N 73 10.145 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 66 1.021 1
77 1 13 1 "RMS(OBS, PRED)" HA 67 0.713 1
78 1 13 1 "RMS(OBS, PRED)" N 73 10.188 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 66 1.004 1
83 1 14 1 "RMS(OBS, PRED)" HA 67 0.720 1
84 1 14 1 "RMS(OBS, PRED)" N 73 10.213 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 66 1.034 1
89 1 15 1 "RMS(OBS, PRED)" HA 67 0.719 1
90 1 15 1 "RMS(OBS, PRED)" N 73 10.221 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 66 1.031 1
95 1 16 1 "RMS(OBS, PRED)" HA 67 0.715 1
96 1 16 1 "RMS(OBS, PRED)" N 73 10.137 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 66 1.023 1
101 1 17 1 "RMS(OBS, PRED)" HA 67 0.712 1
102 1 17 1 "RMS(OBS, PRED)" N 73 10.256 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 66 1.010 1
107 1 18 1 "RMS(OBS, PRED)" HA 67 0.706 1
108 1 18 1 "RMS(OBS, PRED)" N 73 10.236 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 66 1.012 1
113 1 19 1 "RMS(OBS, PRED)" HA 67 0.707 1
114 1 19 1 "RMS(OBS, PRED)" N 73 10.178 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 66 1.028 1
119 1 20 1 "RMS(OBS, PRED)" HA 67 0.705 1
120 1 20 1 "RMS(OBS, PRED)" N 73 10.155 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 5 . 1 1 A 2 2 ASN H H 2 8.147 8.646 -0.499 2
1 6 . 1 1 A 2 2 ASN HA H 2 4.619 5.297 -0.678 2
1 10 . 1 1 A 2 2 ASN N N 2 117.923 120.151 -2.228 2
1 12 . 1 1 A 3 3 ALA H H 3 8.340 9.042 -0.702 2
1 13 . 1 1 A 3 3 ALA HA H 3 4.234 5.112 -0.878 2
1 17 . 1 1 A 3 3 ALA N N 3 124.095 120.152 3.943 2
1 18 . 1 1 A 4 4 ASP H H 4 8.408 9.614 -1.206 2
1 22 . 1 1 A 4 4 ASP N N 4 120.996 114.814 6.182 2
1 23 . 1 1 A 5 5 CYS H H 5 8.035 8.853 -0.818 2
1 24 . 1 1 A 5 5 CYS HA H 5 4.947 4.756 0.191 2
1 26 . 1 1 A 5 5 CYS N N 5 118.050 124.998 -6.948 2
1 27 . 1 1 A 6 6 MET H H 6 9.169 7.615 1.554 2
1 31 . 1 1 A 6 6 MET N N 6 117.506 107.200 10.306 2
1 32 . 1 1 A 7 7 PHE H H 7 9.290 8.534 0.756 2
1 33 . 1 1 A 7 7 PHE HA H 7 4.961 4.283 0.678 2
1 41 . 1 1 A 7 7 PHE N N 7 119.609 120.409 -0.800 2
1 42 . 1 1 A 8 8 GLY H H 8 9.314 8.063 1.251 2
1 43 . 1 1 A 8 8 GLY HA2 H 8 3.817 3.936 -0.119 2
1 44 . 1 1 A 8 8 GLY HA3 H 8 4.038 3.960 0.078 2
1 45 . 1 1 A 8 8 GLY N N 8 115.285 107.751 7.534 2
1 46 . 1 1 A 9 9 ASN H H 9 8.563 7.854 0.709 2
1 47 . 1 1 A 9 9 ASN HA H 9 4.788 4.695 0.093 2
1 52 . 1 1 A 9 9 ASN N N 9 121.190 121.869 -0.679 2
1 54 . 1 1 A 10 10 GLY H H 10 8.650 8.897 -0.247 2
1 57 . 1 1 A 10 10 GLY N N 10 104.975 128.443 -23.468 2
1 58 . 1 1 A 11 11 LYS H H 11 8.616 7.457 1.159 2
1 63 . 1 1 A 11 11 LYS N N 11 124.787 108.452 16.335 2
1 64 . 1 1 A 12 12 GLY H H 12 8.674 9.178 -0.504 2
1 67 . 1 1 A 12 12 GLY N N 12 102.671 116.366 -13.695 2
1 68 . 1 1 A 13 13 TYR H H 13 7.632 7.816 -0.184 2
1 69 . 1 1 A 13 13 TYR HA H 13 4.456 4.465 -0.009 2
1 76 . 1 1 A 13 13 TYR N N 13 120.588 120.647 -0.059 2
1 77 . 1 1 A 14 14 ARG H H 14 9.249 8.919 0.330 2
1 78 . 1 1 A 14 14 ARG HA H 14 4.109 4.566 -0.457 2
1 82 . 1 1 A 14 14 ARG N N 14 131.346 117.259 14.087 2
1 84 . 1 1 A 15 15 GLY H H 15 4.280 7.574 -3.294 2
1 87 . 1 1 A 15 15 GLY N N 15 104.876 113.875 -8.999 2
1 88 . 1 1 A 16 16 LYS H H 16 8.781 8.954 -0.173 2
1 89 . 1 1 A 16 16 LYS HA H 16 4.167 4.640 -0.473 2
1 95 . 1 1 A 16 16 LYS N N 16 116.399 116.150 0.249 2
1 96 . 1 1 A 17 17 ARG H H 17 7.493 9.240 -1.747 2
1 97 . 1 1 A 17 17 ARG HA H 17 4.360 3.883 0.477 2
1 104 . 1 1 A 17 17 ARG N N 17 121.452 118.148 3.304 2
1 106 . 1 1 A 18 18 VAL H H 18 8.298 7.612 0.686 2
1 107 . 1 1 A 18 18 VAL HA H 18 5.005 4.437 0.568 2
1 115 . 1 1 A 18 18 VAL N N 18 113.240 111.127 2.112 2
1 116 . 1 1 A 19 19 THR H H 19 7.209 8.097 -0.888 2
1 122 . 1 1 A 19 19 THR N N 19 111.368 111.838 -0.470 2
1 123 . 1 1 A 20 20 THR H H 20 8.518 7.682 0.836 2
1 124 . 1 1 A 20 20 THR HA H 20 4.605 4.351 0.254 2
1 129 . 1 1 A 20 20 THR N N 20 110.279 116.998 -6.719 2
1 131 . 1 1 A 21 21 VAL HA H 21 4.049 4.588 -0.539 2
1 139 . 1 1 A 21 21 VAL N N 21 116.629 142.003 -25.374 2
1 140 . 1 1 A 22 22 THR H H 22 7.376 8.402 -1.026 2
1 141 . 1 1 A 22 22 THR HA H 22 4.521 4.661 -0.140 2
1 145 . 1 1 A 22 22 THR N N 22 108.221 122.248 -14.027 2
1 146 . 1 1 A 23 23 GLY H H 23 8.345 9.099 -0.754 2
1 149 . 1 1 A 23 23 GLY N N 23 110.656 124.355 -13.699 2
1 150 . 1 1 A 24 24 THR H H 24 7.330 8.606 -1.276 2
1 151 . 1 1 A 24 24 THR HA H 24 4.419 5.004 -0.585 2
1 156 . 1 1 A 24 24 THR N N 24 119.053 123.076 -4.023 2
1 157 . 1 1 A 25 25 PRO HA H 25 4.601 4.702 -0.101 2
1 161 . 1 1 A 26 26 CYS H H 26 8.451 7.703 0.748 2
1 162 . 1 1 A 26 26 CYS HA H 26 4.715 4.287 0.428 2
1 165 . 1 1 A 26 26 CYS N N 26 123.739 120.884 2.855 2
1 166 . 1 1 A 27 27 GLN H H 27 9.557 8.234 1.323 2
1 167 . 1 1 A 27 27 GLN HA H 27 3.946 4.482 -0.536 2
1 174 . 1 1 A 27 27 GLN N N 27 126.620 120.203 6.417 2
1 176 . 1 1 A 28 28 ASP H H 28 8.849 8.761 0.087 2
1 177 . 1 1 A 28 28 ASP HA H 28 4.419 4.893 -0.474 2
1 180 . 1 1 A 28 28 ASP N N 28 126.815 119.586 7.229 2
1 181 . 1 1 A 29 29 TRP H H 29 7.982 7.806 0.176 2
1 182 . 1 1 A 29 29 TRP HA H 29 4.198 4.759 -0.561 2
1 191 . 1 1 A 29 29 TRP N N 29 123.876 118.172 5.704 2
1 194 . 1 1 A 30 30 ALA HA H 30 4.334 4.539 -0.205 2
1 198 . 1 1 A 30 30 ALA N N 30 114.831 138.169 -23.338 2
1 199 . 1 1 A 31 31 ALA H H 31 7.855 7.554 0.301 2
1 200 . 1 1 A 31 31 ALA HA H 31 4.604 4.966 -0.362 2
1 204 . 1 1 A 31 31 ALA N N 31 119.366 119.212 0.154 2
1 205 . 1 1 A 32 32 GLN H H 32 6.836 8.701 -1.865 2
1 206 . 1 1 A 32 32 GLN HA H 32 4.254 4.446 -0.192 2
1 213 . 1 1 A 32 32 GLN N N 32 115.145 124.166 -9.021 2
1 215 . 1 1 A 33 33 GLU H H 33 8.729 8.708 0.021 2
1 216 . 1 1 A 33 33 GLU HA H 33 4.464 5.169 -0.705 2
1 221 . 1 1 A 33 33 GLU N N 33 118.546 119.337 -0.791 2
1 222 . 1 1 A 34 34 PRO HA H 34 4.507 4.377 0.130 2
1 226 . 1 1 A 35 35 HIS H H 35 9.736 7.450 2.286 2
1 227 . 1 1 A 35 35 HIS HA H 35 4.861 4.469 0.392 2
1 230 . 1 1 A 35 35 HIS N N 35 117.871 116.994 0.877 2
1 231 . 1 1 A 36 36 ARG H H 36 9.255 8.141 1.114 2
1 232 . 1 1 A 36 36 ARG HA H 36 4.368 4.827 -0.459 2
1 234 . 1 1 A 36 36 ARG N N 36 119.886 119.069 0.817 2
1 235 . 1 1 A 37 37 HIS H H 37 8.487 8.065 0.422 2
1 236 . 1 1 A 37 37 HIS HA H 37 4.969 5.106 -0.137 2
1 242 . 1 1 A 37 37 HIS N N 37 118.654 110.119 8.535 2
1 245 . 1 1 A 38 38 SER HA H 38 4.516 4.417 0.099 2
1 248 . 1 1 A 38 38 SER N N 38 126.261 136.403 -10.142 2
1 249 . 1 1 A 39 39 ILE H H 39 8.191 8.382 -0.191 2
1 250 . 1 1 A 39 39 ILE HA H 39 5.197 4.225 0.972 2
1 259 . 1 1 A 39 39 ILE N N 39 106.468 117.176 -10.708 2
1 260 . 1 1 A 40 40 PHE H H 40 8.158 7.637 0.521 2
1 261 . 1 1 A 40 40 PHE HA H 40 4.099 4.359 -0.260 2
1 269 . 1 1 A 40 40 PHE N N 40 116.320 110.924 5.396 2
1 270 . 1 1 A 41 41 THR H H 41 7.254 7.901 -0.647 2
1 271 . 1 1 A 41 41 THR HA H 41 4.503 5.232 -0.729 2
1 273 . 1 1 A 41 41 THR N N 41 113.915 119.729 -5.814 2
1 274 . 1 1 A 42 42 PRO HA H 42 4.166 4.481 -0.315 2
1 280 . 1 1 A 43 43 GLU H H 43 7.824 8.412 -0.588 2
1 281 . 1 1 A 43 43 GLU HA H 43 4.161 4.399 -0.238 2
1 284 . 1 1 A 43 43 GLU N N 43 112.032 117.251 -5.219 2
1 285 . 1 1 A 44 44 THR H H 44 7.859 7.456 0.403 2
1 286 . 1 1 A 44 44 THR HA H 44 4.213 4.378 -0.165 2
1 287 . 1 1 A 44 44 THR N N 44 109.971 120.700 -10.729 2
1 288 . 1 1 A 45 45 ASN H H 45 7.828 7.944 -0.116 2
1 294 . 1 1 A 45 45 ASN N N 45 118.292 107.873 10.419 2
1 299 . 1 1 A 47 47 ARG H H 47 8.778 8.069 0.709 2
1 300 . 1 1 A 47 47 ARG HA H 47 4.594 4.826 -0.232 2
1 307 . 1 1 A 47 47 ARG N N 47 117.742 124.055 -6.313 2
1 309 . 1 1 A 48 48 ALA H H 48 7.139 8.949 -1.810 2
1 310 . 1 1 A 48 48 ALA HA H 48 4.439 3.954 0.485 2
1 314 . 1 1 A 48 48 ALA N N 48 119.525 120.004 -0.479 2
1 315 . 1 1 A 49 49 GLY H H 49 8.256 8.222 0.034 2
1 318 . 1 1 A 49 49 GLY N N 49 108.423 122.050 -13.627 2
1 319 . 1 1 A 50 50 LEU H H 50 9.144 7.408 1.736 2
1 320 . 1 1 A 50 50 LEU HA H 50 3.268 4.757 -1.489 2
1 330 . 1 1 A 50 50 LEU N N 50 121.605 121.344 0.261 2
1 331 . 1 1 A 51 51 GLU H H 51 7.651 9.424 -1.773 2
1 332 . 1 1 A 51 51 GLU HA H 51 4.504 4.942 -0.438 2
1 335 . 1 1 A 51 51 GLU N N 51 124.470 122.867 1.603 2
1 336 . 1 1 A 52 52 LYS H H 52 8.878 8.741 0.137 2
1 337 . 1 1 A 52 52 LYS HA H 52 3.618 5.029 -1.411 2
1 341 . 1 1 A 52 52 LYS N N 52 118.010 122.470 -4.460 2
1 342 . 1 1 A 53 53 ASN H H 53 7.874 8.409 -0.535 2
1 343 . 1 1 A 53 53 ASN HA H 53 4.574 5.275 -0.701 2
1 348 . 1 1 A 53 53 ASN N N 53 122.833 120.273 2.560 2
1 351 . 1 1 A 54 54 TYR HA H 54 4.992 4.440 0.552 2
1 358 . 1 1 A 54 54 TYR N N 54 112.865 138.809 -25.944 2
1 359 . 1 1 A 55 55 CYS H H 55 8.917 8.161 0.756 2
1 360 . 1 1 A 55 55 CYS HA H 55 4.488 4.844 -0.356 2
1 363 . 1 1 A 55 55 CYS N N 55 118.745 116.276 2.469 2
1 364 . 1 1 A 56 56 ARG H H 56 9.470 7.953 1.517 2
1 372 . 1 1 A 56 56 ARG N N 56 123.525 108.878 14.647 2
1 374 . 1 1 A 57 57 ASN H H 57 8.417 8.379 0.038 2
1 375 . 1 1 A 57 57 ASN HA H 57 5.540 4.617 0.923 2
1 380 . 1 1 A 57 57 ASN N N 57 113.293 120.686 -7.393 2
1 382 . 1 1 A 58 58 PRO HA H 58 4.454 4.278 0.176 2
1 389 . 1 1 A 59 59 ASP H H 59 9.547 8.122 1.425 2
1 393 . 1 1 A 59 59 ASP N N 59 114.552 110.127 4.425 2
1 394 . 1 1 A 60 60 GLY H H 60 7.436 7.526 -0.090 2
1 395 . 1 1 A 60 60 GLY HA2 H 60 3.311 4.171 -0.860 2
1 396 . 1 1 A 60 60 GLY HA3 H 60 3.799 4.179 -0.380 2
1 397 . 1 1 A 60 60 GLY N N 60 109.636 106.770 2.866 2
1 399 . 1 1 A 61 61 ASP HA H 61 4.369 4.942 -0.573 2
1 401 . 1 1 A 61 61 ASP N N 61 123.255 133.101 -9.846 2
1 402 . 1 1 A 62 62 VAL H H 62 8.871 8.957 -0.086 2
1 403 . 1 1 A 62 62 VAL HA H 62 3.997 5.296 -1.299 2
1 411 . 1 1 A 62 62 VAL N N 62 127.998 118.518 9.480 2
1 412 . 1 1 A 63 63 GLY H H 63 9.855 8.926 0.929 2
1 415 . 1 1 A 63 63 GLY N N 63 109.474 116.885 -7.411 2
1 416 . 1 1 A 64 64 GLY H H 64 7.718 8.083 -0.365 2
1 419 . 1 1 A 64 64 GLY N N 64 107.373 119.106 -11.733 2
1 420 . 1 1 A 65 65 PRO HA H 65 4.004 4.934 -0.930 2
1 423 . 1 1 A 66 66 TRP H H 66 8.894 8.628 0.266 2
1 424 . 1 1 A 66 66 TRP HA H 66 5.340 4.454 0.886 2
1 433 . 1 1 A 66 66 TRP N N 66 122.955 113.727 9.228 2
1 435 . 1 1 A 67 67 CYS H H 67 8.673 7.690 0.983 2
1 436 . 1 1 A 67 67 CYS HA H 67 4.427 5.113 -0.686 2
1 439 . 1 1 A 67 67 CYS N N 67 109.130 122.440 -13.310 2
1 441 . 1 1 A 68 68 TYR HA H 68 5.167 4.483 0.684 2
1 448 . 1 1 A 68 68 TYR N N 68 121.963 141.588 -19.625 2
1 449 . 1 1 A 69 69 THR H H 69 7.813 8.649 -0.836 2
1 450 . 1 1 A 69 69 THR HA H 69 5.255 4.228 1.027 2
1 456 . 1 1 A 69 69 THR N N 69 111.504 117.745 -6.241 2
1 457 . 1 1 A 70 70 THR H H 70 7.778 7.255 0.523 2
1 458 . 1 1 A 70 70 THR HA H 70 3.977 4.761 -0.784 2
1 463 . 1 1 A 70 70 THR N N 70 105.004 115.231 -10.227 2
1 464 . 1 1 A 71 71 ASN H H 71 8.714 8.648 0.066 2
1 465 . 1 1 A 71 71 ASN HA H 71 5.035 4.355 0.680 2
1 470 . 1 1 A 71 71 ASN N N 71 122.506 120.504 2.002 2
1 472 . 1 1 A 72 72 PRO HA H 72 3.766 5.178 -1.412 2
1 476 . 1 1 A 73 73 ARG H H 73 8.036 8.648 -0.612 2
1 477 . 1 1 A 73 73 ARG HA H 73 4.384 4.978 -0.594 2
1 482 . 1 1 A 73 73 ARG N N 73 113.053 119.856 -6.803 2
1 484 . 1 1 A 74 74 LYS H H 74 7.664 8.873 -1.209 2
1 485 . 1 1 A 74 74 LYS HA H 74 4.597 5.022 -0.425 2
1 489 . 1 1 A 74 74 LYS N N 74 121.711 118.919 2.792 2
1 490 . 1 1 A 75 75 LEU H H 75 8.805 9.321 -0.516 2
1 491 . 1 1 A 75 75 LEU HA H 75 2.354 5.250 -2.896 2
1 492 . 1 1 A 75 75 LEU N N 75 130.480 120.405 10.075 2
1 493 . 1 1 A 76 76 TYR H H 76 7.149 8.865 -1.716 2
1 494 . 1 1 A 76 76 TYR HA H 76 5.410 4.984 0.426 2
1 499 . 1 1 A 76 76 TYR N N 76 107.886 123.176 -15.290 2
1 500 . 1 1 A 77 77 ASP H H 77 8.557 8.381 0.176 2
1 501 . 1 1 A 77 77 ASP HA H 77 4.095 4.629 -0.534 2
1 504 . 1 1 A 77 77 ASP N N 77 116.171 124.279 -8.108 2
1 506 . 1 1 A 78 78 TYR HA H 78 4.577 4.510 0.067 2
1 513 . 1 1 A 78 78 TYR N N 78 118.199 141.213 -23.014 2
1 514 . 1 1 A 79 79 CYS H H 79 8.718 8.465 0.253 2
1 515 . 1 1 A 79 79 CYS HA H 79 4.758 4.319 0.439 2
1 518 . 1 1 A 79 79 CYS N N 79 116.747 120.774 -4.027 2
1 519 . 1 1 A 80 80 ASP H H 80 9.093 9.603 -0.510 2
1 520 . 1 1 A 80 80 ASP HA H 80 4.568 4.191 0.377 2
1 523 . 1 1 A 80 80 ASP N N 80 122.193 125.779 -3.586 2
1 524 . 1 1 A 81 81 VAL H H 81 7.782 7.150 0.632 2
1 525 . 1 1 A 81 81 VAL HA H 81 4.102 4.422 -0.320 2
1 533 . 1 1 A 81 81 VAL N N 81 123.869 121.493 2.375 2
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