data_15993_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15993
_Entry.PDB_ID 2K9D
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 1 1 VAL H H 463 7.568 7.984 -0.416 1
1 2 . 1 1 1 A 1 1 VAL N N 463 124.990 121.300 3.690 1
1 3 . 1 1 1 A 2 2 ILE H H 464 8.230 8.180 0.050 1
1 4 . 1 1 1 A 2 2 ILE N N 464 120.553 118.783 1.770 1
1 5 . 1 1 1 A 3 3 ARG H H 465 8.608 7.989 0.619 1
1 6 . 1 1 1 A 3 3 ARG N N 465 118.677 121.643 -2.966 1
1 7 . 1 1 1 A 4 4 SER H H 466 7.857 8.205 -0.348 1
1 8 . 1 1 1 A 4 4 SER N N 466 114.311 116.583 -2.272 1
1 9 . 1 1 1 A 5 5 ILE H H 467 8.335 7.662 0.673 1
1 10 . 1 1 1 A 5 5 ILE N N 467 124.384 119.789 4.595 1
1 11 . 1 1 1 A 6 6 ILE H H 468 8.204 7.875 0.329 1
1 12 . 1 1 1 A 6 6 ILE N N 468 118.479 117.723 0.756 1
1 13 . 1 1 1 A 7 7 LYS H H 469 8.595 7.666 0.929 1
1 14 . 1 1 1 A 7 7 LYS N N 469 119.302 121.993 -2.691 1
1 15 . 1 1 1 A 8 8 SER H H 470 8.162 7.567 0.595 1
1 16 . 1 1 1 A 8 8 SER N N 470 111.766 114.194 -2.428 1
1 17 . 1 1 1 A 9 9 SER H H 471 7.529 7.570 -0.041 1
1 18 . 1 1 1 A 9 9 SER N N 471 117.943 117.028 0.915 1
1 19 . 1 1 1 A 10 10 ARG H H 472 9.338 8.876 0.462 1
1 20 . 1 1 1 A 10 10 ARG N N 472 118.011 128.460 -10.449 1
1 21 . 1 1 1 A 11 11 LEU H H 473 6.936 8.161 -1.225 1
1 22 . 1 1 1 A 11 11 LEU N N 473 117.884 118.084 -0.200 1
1 23 . 1 1 1 A 12 12 GLU H H 474 9.227 8.046 1.181 1
1 24 . 1 1 1 A 12 12 GLU N N 474 119.961 119.570 0.391 1
1 25 . 1 1 1 A 13 13 GLU H H 475 9.132 8.789 0.343 1
1 26 . 1 1 1 A 13 13 GLU N N 475 123.238 127.011 -3.773 1
1 27 . 1 1 1 A 14 14 ASP H H 476 9.111 8.436 0.675 1
1 28 . 1 1 1 A 14 14 ASP N N 476 116.704 119.076 -2.372 1
1 29 . 1 1 1 A 15 15 ARG H H 477 7.383 8.029 -0.646 1
1 30 . 1 1 1 A 15 15 ARG N N 477 121.479 121.394 0.085 1
1 31 . 1 1 1 A 16 16 LYS H H 478 8.325 7.807 0.518 1
1 32 . 1 1 1 A 16 16 LYS N N 478 119.187 118.903 0.284 1
1 33 . 1 1 1 A 17 17 ARG H H 479 8.157 7.804 0.353 1
1 34 . 1 1 1 A 17 17 ARG N N 479 117.047 119.578 -2.531 1
1 35 . 1 1 1 A 18 18 TYR H H 480 7.934 8.576 -0.642 1
1 36 . 1 1 1 A 18 18 TYR N N 480 120.969 121.153 -0.184 1
1 37 . 1 1 1 A 19 19 LEU H H 481 8.556 8.697 -0.141 1
1 38 . 1 1 1 A 19 19 LEU N N 481 119.137 120.941 -1.804 1
1 39 . 1 1 1 A 20 20 MET H H 482 8.381 7.900 0.481 1
1 40 . 1 1 1 A 20 20 MET N N 482 117.261 119.360 -2.099 1
1 41 . 1 1 1 A 21 21 THR H H 483 7.991 7.801 0.190 1
1 42 . 1 1 1 A 21 21 THR N N 483 115.676 114.411 1.265 1
1 43 . 1 1 1 A 22 22 LEU H H 484 7.936 7.574 0.362 1
1 44 . 1 1 1 A 22 22 LEU N N 484 122.157 121.498 0.659 1
1 45 . 1 1 1 A 23 23 LEU H H 485 8.025 8.827 -0.802 1
1 46 . 1 1 1 A 23 23 LEU N N 485 118.525 117.102 1.423 1
1 47 . 1 1 1 A 24 24 ASP H H 486 7.486 8.495 -1.009 1
1 48 . 1 1 1 A 24 24 ASP N N 486 117.162 119.679 -2.517 1
1 49 . 1 1 1 A 25 25 ASP H H 487 7.538 7.646 -0.108 1
1 50 . 1 1 1 A 25 25 ASP N N 487 118.593 117.440 1.153 1
1 51 . 1 1 1 A 26 26 ILE H H 488 7.550 7.397 0.153 1
1 52 . 1 1 1 A 26 26 ILE N N 488 121.728 121.722 0.006 1
1 53 . 1 1 1 A 27 27 LYS H H 489 9.443 8.886 0.557 1
1 54 . 1 1 1 A 27 27 LYS N N 489 127.933 122.307 5.626 1
1 55 . 1 1 1 A 28 28 GLY H H 490 8.763 8.156 0.607 1
1 56 . 1 1 1 A 28 28 GLY N N 490 112.504 108.751 3.753 1
1 57 . 1 1 1 A 29 29 ALA H H 491 7.932 9.062 -1.130 1
1 58 . 1 1 1 A 29 29 ALA N N 491 125.886 127.972 -2.086 1
1 59 . 1 1 1 A 30 30 ASN H H 492 8.375 8.275 0.100 1
1 60 . 1 1 1 A 30 30 ASN N N 492 118.503 116.650 1.853 1
1 61 . 1 1 1 A 31 31 ASP H H 493 8.901 8.090 0.811 1
1 62 . 1 1 1 A 31 31 ASP N N 493 123.117 119.712 3.405 1
1 63 . 1 1 1 A 32 32 LEU H H 494 8.239 8.280 -0.041 1
1 64 . 1 1 1 A 32 32 LEU N N 494 122.294 120.007 2.287 1
1 65 . 1 1 1 A 33 33 ALA H H 495 8.018 8.584 -0.566 1
1 66 . 1 1 1 A 33 33 ALA N N 495 121.358 121.431 -0.073 1
1 67 . 1 1 1 A 34 34 LYS H H 496 7.974 7.744 0.230 1
1 68 . 1 1 1 A 34 34 LYS N N 496 119.384 118.733 0.651 1
1 69 . 1 1 1 A 35 35 PHE H H 497 8.772 8.318 0.454 1
1 70 . 1 1 1 A 35 35 PHE N N 497 121.439 119.091 2.348 1
1 71 . 1 1 1 A 36 36 HIS H H 498 8.827 8.250 0.577 1
1 72 . 1 1 1 A 36 36 HIS N N 498 118.260 119.332 -1.072 1
1 73 . 1 1 1 A 37 37 GLN H H 499 8.144 8.500 -0.356 1
1 74 . 1 1 1 A 37 37 GLN N N 499 116.291 118.412 -2.121 1
1 75 . 1 1 1 A 38 38 MET H H 500 7.940 8.220 -0.280 1
1 76 . 1 1 1 A 38 38 MET N N 500 117.445 119.137 -1.692 1
1 77 . 1 1 1 A 39 39 LEU H H 501 8.866 7.853 1.013 1
1 78 . 1 1 1 A 39 39 LEU N N 501 120.987 117.258 3.729 1
1 79 . 1 1 1 A 40 40 VAL H H 502 8.196 8.083 0.113 1
1 80 . 1 1 1 A 40 40 VAL N N 502 116.383 119.321 -2.938 1
1 81 . 1 1 1 A 41 41 LYS H H 503 7.160 7.791 -0.631 1
1 82 . 1 1 1 A 41 41 LYS N N 503 118.718 121.102 -2.384 1
1 83 . 1 1 1 A 42 42 ILE H H 504 8.052 7.922 0.130 1
1 84 . 1 1 1 A 42 42 ILE N N 504 120.232 120.443 -0.211 1
1 1 . 2 1 1 A 1 1 VAL H H 463 7.568 7.941 -0.373 1
1 2 . 2 1 1 A 1 1 VAL N N 463 124.990 121.492 3.498 1
1 3 . 2 1 1 A 2 2 ILE H H 464 8.230 8.381 -0.151 1
1 4 . 2 1 1 A 2 2 ILE N N 464 120.553 120.359 0.194 1
1 5 . 2 1 1 A 3 3 ARG H H 465 8.608 8.224 0.384 1
1 6 . 2 1 1 A 3 3 ARG N N 465 118.677 122.445 -3.768 1
1 7 . 2 1 1 A 4 4 SER H H 466 7.857 7.974 -0.117 1
1 8 . 2 1 1 A 4 4 SER N N 466 114.311 116.974 -2.663 1
1 9 . 2 1 1 A 5 5 ILE H H 467 8.335 7.843 0.492 1
1 10 . 2 1 1 A 5 5 ILE N N 467 124.384 120.687 3.697 1
1 11 . 2 1 1 A 6 6 ILE H H 468 8.204 8.090 0.114 1
1 12 . 2 1 1 A 6 6 ILE N N 468 118.479 118.024 0.455 1
1 13 . 2 1 1 A 7 7 LYS H H 469 8.595 7.665 0.930 1
1 14 . 2 1 1 A 7 7 LYS N N 469 119.302 121.398 -2.096 1
1 15 . 2 1 1 A 8 8 SER H H 470 8.162 7.800 0.362 1
1 16 . 2 1 1 A 8 8 SER N N 470 111.766 116.026 -4.260 1
1 17 . 2 1 1 A 9 9 SER H H 471 7.529 8.220 -0.691 1
1 18 . 2 1 1 A 9 9 SER N N 471 117.943 115.903 2.040 1
1 19 . 2 1 1 A 10 10 ARG H H 472 9.338 8.707 0.631 1
1 20 . 2 1 1 A 10 10 ARG N N 472 118.011 122.269 -4.258 1
1 21 . 2 1 1 A 11 11 LEU H H 473 6.936 6.948 -0.012 1
1 22 . 2 1 1 A 11 11 LEU N N 473 117.884 114.840 3.044 1
1 23 . 2 1 1 A 12 12 GLU H H 474 9.227 8.480 0.747 1
1 24 . 2 1 1 A 12 12 GLU N N 474 119.961 119.663 0.298 1
1 25 . 2 1 1 A 13 13 GLU H H 475 9.132 9.085 0.047 1
1 26 . 2 1 1 A 13 13 GLU N N 475 123.238 126.439 -3.201 1
1 27 . 2 1 1 A 14 14 ASP H H 476 9.111 8.357 0.754 1
1 28 . 2 1 1 A 14 14 ASP N N 476 116.704 119.844 -3.140 1
1 29 . 2 1 1 A 15 15 ARG H H 477 7.383 7.919 -0.536 1
1 30 . 2 1 1 A 15 15 ARG N N 477 121.479 119.693 1.786 1
1 31 . 2 1 1 A 16 16 LYS H H 478 8.325 7.626 0.699 1
1 32 . 2 1 1 A 16 16 LYS N N 478 119.187 119.196 -0.009 1
1 33 . 2 1 1 A 17 17 ARG H H 479 8.157 8.429 -0.272 1
1 34 . 2 1 1 A 17 17 ARG N N 479 117.047 119.968 -2.921 1
1 35 . 2 1 1 A 18 18 TYR H H 480 7.934 8.440 -0.506 1
1 36 . 2 1 1 A 18 18 TYR N N 480 120.969 121.513 -0.544 1
1 37 . 2 1 1 A 19 19 LEU H H 481 8.556 8.700 -0.144 1
1 38 . 2 1 1 A 19 19 LEU N N 481 119.137 120.896 -1.759 1
1 39 . 2 1 1 A 20 20 MET H H 482 8.381 8.410 -0.029 1
1 40 . 2 1 1 A 20 20 MET N N 482 117.261 119.177 -1.916 1
1 41 . 2 1 1 A 21 21 THR H H 483 7.991 8.044 -0.053 1
1 42 . 2 1 1 A 21 21 THR N N 483 115.676 114.547 1.129 1
1 43 . 2 1 1 A 22 22 LEU H H 484 7.936 7.689 0.247 1
1 44 . 2 1 1 A 22 22 LEU N N 484 122.157 120.876 1.281 1
1 45 . 2 1 1 A 23 23 LEU H H 485 8.025 8.888 -0.863 1
1 46 . 2 1 1 A 23 23 LEU N N 485 118.525 119.180 -0.655 1
1 47 . 2 1 1 A 24 24 ASP H H 486 7.486 8.355 -0.869 1
1 48 . 2 1 1 A 24 24 ASP N N 486 117.162 119.243 -2.081 1
1 49 . 2 1 1 A 25 25 ASP H H 487 7.538 7.942 -0.404 1
1 50 . 2 1 1 A 25 25 ASP N N 487 118.593 117.368 1.225 1
1 51 . 2 1 1 A 26 26 ILE H H 488 7.550 7.288 0.262 1
1 52 . 2 1 1 A 26 26 ILE N N 488 121.728 121.574 0.154 1
1 53 . 2 1 1 A 27 27 LYS H H 489 9.443 8.905 0.538 1
1 54 . 2 1 1 A 27 27 LYS N N 489 127.933 125.388 2.545 1
1 55 . 2 1 1 A 28 28 GLY H H 490 8.763 7.529 1.234 1
1 56 . 2 1 1 A 28 28 GLY N N 490 112.504 107.224 5.280 1
1 57 . 2 1 1 A 29 29 ALA H H 491 7.932 8.583 -0.651 1
1 58 . 2 1 1 A 29 29 ALA N N 491 125.886 126.933 -1.047 1
1 59 . 2 1 1 A 30 30 ASN H H 492 8.375 8.462 -0.087 1
1 60 . 2 1 1 A 30 30 ASN N N 492 118.503 117.055 1.448 1
1 61 . 2 1 1 A 31 31 ASP H H 493 8.901 8.102 0.799 1
1 62 . 2 1 1 A 31 31 ASP N N 493 123.117 119.075 4.042 1
1 63 . 2 1 1 A 32 32 LEU H H 494 8.239 7.844 0.395 1
1 64 . 2 1 1 A 32 32 LEU N N 494 122.294 118.635 3.659 1
1 65 . 2 1 1 A 33 33 ALA H H 495 8.018 7.870 0.148 1
1 66 . 2 1 1 A 33 33 ALA N N 495 121.358 122.228 -0.870 1
1 67 . 2 1 1 A 34 34 LYS H H 496 7.974 7.809 0.165 1
1 68 . 2 1 1 A 34 34 LYS N N 496 119.384 119.176 0.208 1
1 69 . 2 1 1 A 35 35 PHE H H 497 8.772 8.302 0.470 1
1 70 . 2 1 1 A 35 35 PHE N N 497 121.439 118.990 2.449 1
1 71 . 2 1 1 A 36 36 HIS H H 498 8.827 8.371 0.456 1
1 72 . 2 1 1 A 36 36 HIS N N 498 118.260 119.134 -0.874 1
1 73 . 2 1 1 A 37 37 GLN H H 499 8.144 8.471 -0.327 1
1 74 . 2 1 1 A 37 37 GLN N N 499 116.291 118.418 -2.127 1
1 75 . 2 1 1 A 38 38 MET H H 500 7.940 8.140 -0.200 1
1 76 . 2 1 1 A 38 38 MET N N 500 117.445 119.280 -1.835 1
1 77 . 2 1 1 A 39 39 LEU H H 501 8.866 7.823 1.043 1
1 78 . 2 1 1 A 39 39 LEU N N 501 120.987 120.186 0.801 1
1 79 . 2 1 1 A 40 40 VAL H H 502 8.196 7.964 0.232 1
1 80 . 2 1 1 A 40 40 VAL N N 502 116.383 118.637 -2.254 1
1 81 . 2 1 1 A 41 41 LYS H H 503 7.160 7.771 -0.611 1
1 82 . 2 1 1 A 41 41 LYS N N 503 118.718 120.930 -2.212 1
1 83 . 2 1 1 A 42 42 ILE H H 504 8.052 7.898 0.154 1
1 84 . 2 1 1 A 42 42 ILE N N 504 120.232 119.385 0.847 1
1 1 . 3 1 1 A 1 1 VAL H H 463 7.568 7.972 -0.404 1
1 2 . 3 1 1 A 1 1 VAL N N 463 124.990 120.916 4.074 1
1 3 . 3 1 1 A 2 2 ILE H H 464 8.230 8.085 0.145 1
1 4 . 3 1 1 A 2 2 ILE N N 464 120.553 119.067 1.486 1
1 5 . 3 1 1 A 3 3 ARG H H 465 8.608 8.148 0.460 1
1 6 . 3 1 1 A 3 3 ARG N N 465 118.677 121.086 -2.409 1
1 7 . 3 1 1 A 4 4 SER H H 466 7.857 7.725 0.132 1
1 8 . 3 1 1 A 4 4 SER N N 466 114.311 113.957 0.354 1
1 9 . 3 1 1 A 5 5 ILE H H 467 8.335 7.901 0.434 1
1 10 . 3 1 1 A 5 5 ILE N N 467 124.384 121.600 2.784 1
1 11 . 3 1 1 A 6 6 ILE H H 468 8.204 7.864 0.340 1
1 12 . 3 1 1 A 6 6 ILE N N 468 118.479 117.704 0.775 1
1 13 . 3 1 1 A 7 7 LYS H H 469 8.595 7.734 0.861 1
1 14 . 3 1 1 A 7 7 LYS N N 469 119.302 121.923 -2.621 1
1 15 . 3 1 1 A 8 8 SER H H 470 8.162 7.822 0.340 1
1 16 . 3 1 1 A 8 8 SER N N 470 111.766 112.894 -1.128 1
1 17 . 3 1 1 A 9 9 SER H H 471 7.529 7.807 -0.278 1
1 18 . 3 1 1 A 9 9 SER N N 471 117.943 118.266 -0.323 1
1 19 . 3 1 1 A 10 10 ARG H H 472 9.338 8.540 0.798 1
1 20 . 3 1 1 A 10 10 ARG N N 472 118.011 125.945 -7.934 1
1 21 . 3 1 1 A 11 11 LEU H H 473 6.936 8.016 -1.080 1
1 22 . 3 1 1 A 11 11 LEU N N 473 117.884 120.285 -2.401 1
1 23 . 3 1 1 A 12 12 GLU H H 474 9.227 7.918 1.309 1
1 24 . 3 1 1 A 12 12 GLU N N 474 119.961 117.890 2.071 1
1 25 . 3 1 1 A 13 13 GLU H H 475 9.132 8.201 0.931 1
1 26 . 3 1 1 A 13 13 GLU N N 475 123.238 117.724 5.514 1
1 27 . 3 1 1 A 14 14 ASP H H 476 9.111 8.881 0.230 1
1 28 . 3 1 1 A 14 14 ASP N N 476 116.704 121.681 -4.977 1
1 29 . 3 1 1 A 15 15 ARG H H 477 7.383 8.435 -1.052 1
1 30 . 3 1 1 A 15 15 ARG N N 477 121.479 119.225 2.254 1
1 31 . 3 1 1 A 16 16 LYS H H 478 8.325 8.062 0.263 1
1 32 . 3 1 1 A 16 16 LYS N N 478 119.187 119.571 -0.384 1
1 33 . 3 1 1 A 17 17 ARG H H 479 8.157 7.854 0.303 1
1 34 . 3 1 1 A 17 17 ARG N N 479 117.047 118.735 -1.688 1
1 35 . 3 1 1 A 18 18 TYR H H 480 7.934 8.560 -0.626 1
1 36 . 3 1 1 A 18 18 TYR N N 480 120.969 122.044 -1.075 1
1 37 . 3 1 1 A 19 19 LEU H H 481 8.556 8.727 -0.171 1
1 38 . 3 1 1 A 19 19 LEU N N 481 119.137 120.806 -1.669 1
1 39 . 3 1 1 A 20 20 MET H H 482 8.381 8.095 0.286 1
1 40 . 3 1 1 A 20 20 MET N N 482 117.261 119.228 -1.967 1
1 41 . 3 1 1 A 21 21 THR H H 483 7.991 7.988 0.003 1
1 42 . 3 1 1 A 21 21 THR N N 483 115.676 114.360 1.316 1
1 43 . 3 1 1 A 22 22 LEU H H 484 7.936 7.680 0.256 1
1 44 . 3 1 1 A 22 22 LEU N N 484 122.157 121.131 1.026 1
1 45 . 3 1 1 A 23 23 LEU H H 485 8.025 8.767 -0.742 1
1 46 . 3 1 1 A 23 23 LEU N N 485 118.525 116.614 1.911 1
1 47 . 3 1 1 A 24 24 ASP H H 486 7.486 8.005 -0.519 1
1 48 . 3 1 1 A 24 24 ASP N N 486 117.162 119.038 -1.876 1
1 49 . 3 1 1 A 25 25 ASP H H 487 7.538 8.042 -0.504 1
1 50 . 3 1 1 A 25 25 ASP N N 487 118.593 118.228 0.365 1
1 51 . 3 1 1 A 26 26 ILE H H 488 7.550 7.139 0.411 1
1 52 . 3 1 1 A 26 26 ILE N N 488 121.728 121.673 0.055 1
1 53 . 3 1 1 A 27 27 LYS H H 489 9.443 8.756 0.687 1
1 54 . 3 1 1 A 27 27 LYS N N 489 127.933 125.931 2.002 1
1 55 . 3 1 1 A 28 28 GLY H H 490 8.763 8.221 0.542 1
1 56 . 3 1 1 A 28 28 GLY N N 490 112.504 108.269 4.235 1
1 57 . 3 1 1 A 29 29 ALA H H 491 7.932 8.775 -0.843 1
1 58 . 3 1 1 A 29 29 ALA N N 491 125.886 128.429 -2.543 1
1 59 . 3 1 1 A 30 30 ASN H H 492 8.375 8.368 0.007 1
1 60 . 3 1 1 A 30 30 ASN N N 492 118.503 117.464 1.039 1
1 61 . 3 1 1 A 31 31 ASP H H 493 8.901 8.165 0.736 1
1 62 . 3 1 1 A 31 31 ASP N N 493 123.117 119.443 3.674 1
1 63 . 3 1 1 A 32 32 LEU H H 494 8.239 8.078 0.161 1
1 64 . 3 1 1 A 32 32 LEU N N 494 122.294 117.850 4.444 1
1 65 . 3 1 1 A 33 33 ALA H H 495 8.018 8.154 -0.136 1
1 66 . 3 1 1 A 33 33 ALA N N 495 121.358 121.592 -0.234 1
1 67 . 3 1 1 A 34 34 LYS H H 496 7.974 7.486 0.488 1
1 68 . 3 1 1 A 34 34 LYS N N 496 119.384 118.402 0.982 1
1 69 . 3 1 1 A 35 35 PHE H H 497 8.772 8.319 0.453 1
1 70 . 3 1 1 A 35 35 PHE N N 497 121.439 118.976 2.463 1
1 71 . 3 1 1 A 36 36 HIS H H 498 8.827 8.173 0.654 1
1 72 . 3 1 1 A 36 36 HIS N N 498 118.260 119.456 -1.196 1
1 73 . 3 1 1 A 37 37 GLN H H 499 8.144 8.271 -0.127 1
1 74 . 3 1 1 A 37 37 GLN N N 499 116.291 118.384 -2.093 1
1 75 . 3 1 1 A 38 38 MET H H 500 7.940 8.084 -0.144 1
1 76 . 3 1 1 A 38 38 MET N N 500 117.445 119.920 -2.475 1
1 77 . 3 1 1 A 39 39 LEU H H 501 8.866 7.955 0.911 1
1 78 . 3 1 1 A 39 39 LEU N N 501 120.987 120.106 0.881 1
1 79 . 3 1 1 A 40 40 VAL H H 502 8.196 8.175 0.021 1
1 80 . 3 1 1 A 40 40 VAL N N 502 116.383 120.163 -3.780 1
1 81 . 3 1 1 A 41 41 LYS H H 503 7.160 7.778 -0.618 1
1 82 . 3 1 1 A 41 41 LYS N N 503 118.718 118.975 -0.257 1
1 83 . 3 1 1 A 42 42 ILE H H 504 8.052 7.916 0.136 1
1 84 . 3 1 1 A 42 42 ILE N N 504 120.232 120.563 -0.331 1
1 1 . 4 1 1 A 1 1 VAL H H 463 7.568 7.942 -0.374 1
1 2 . 4 1 1 A 1 1 VAL N N 463 124.990 121.206 3.784 1
1 3 . 4 1 1 A 2 2 ILE H H 464 8.230 8.248 -0.018 1
1 4 . 4 1 1 A 2 2 ILE N N 464 120.553 118.690 1.863 1
1 5 . 4 1 1 A 3 3 ARG H H 465 8.608 8.149 0.459 1
1 6 . 4 1 1 A 3 3 ARG N N 465 118.677 122.388 -3.711 1
1 7 . 4 1 1 A 4 4 SER H H 466 7.857 7.864 -0.007 1
1 8 . 4 1 1 A 4 4 SER N N 466 114.311 114.093 0.218 1
1 9 . 4 1 1 A 5 5 ILE H H 467 8.335 7.696 0.639 1
1 10 . 4 1 1 A 5 5 ILE N N 467 124.384 121.357 3.027 1
1 11 . 4 1 1 A 6 6 ILE H H 468 8.204 8.276 -0.072 1
1 12 . 4 1 1 A 6 6 ILE N N 468 118.479 117.816 0.663 1
1 13 . 4 1 1 A 7 7 LYS H H 469 8.595 7.813 0.782 1
1 14 . 4 1 1 A 7 7 LYS N N 469 119.302 122.202 -2.900 1
1 15 . 4 1 1 A 8 8 SER H H 470 8.162 7.808 0.354 1
1 16 . 4 1 1 A 8 8 SER N N 470 111.766 111.279 0.487 1
1 17 . 4 1 1 A 9 9 SER H H 471 7.529 7.548 -0.019 1
1 18 . 4 1 1 A 9 9 SER N N 471 117.943 118.975 -1.032 1
1 19 . 4 1 1 A 10 10 ARG H H 472 9.338 8.790 0.548 1
1 20 . 4 1 1 A 10 10 ARG N N 472 118.011 125.111 -7.100 1
1 21 . 4 1 1 A 11 11 LEU H H 473 6.936 7.469 -0.533 1
1 22 . 4 1 1 A 11 11 LEU N N 473 117.884 115.507 2.377 1
1 23 . 4 1 1 A 12 12 GLU H H 474 9.227 8.828 0.399 1
1 24 . 4 1 1 A 12 12 GLU N N 474 119.961 117.104 2.857 1
1 25 . 4 1 1 A 13 13 GLU H H 475 9.132 8.127 1.005 1
1 26 . 4 1 1 A 13 13 GLU N N 475 123.238 119.563 3.675 1
1 27 . 4 1 1 A 14 14 ASP H H 476 9.111 8.113 0.998 1
1 28 . 4 1 1 A 14 14 ASP N N 476 116.704 119.757 -3.053 1
1 29 . 4 1 1 A 15 15 ARG H H 477 7.383 8.055 -0.672 1
1 30 . 4 1 1 A 15 15 ARG N N 477 121.479 120.975 0.504 1
1 31 . 4 1 1 A 16 16 LYS H H 478 8.325 7.884 0.441 1
1 32 . 4 1 1 A 16 16 LYS N N 478 119.187 118.508 0.679 1
1 33 . 4 1 1 A 17 17 ARG H H 479 8.157 7.902 0.255 1
1 34 . 4 1 1 A 17 17 ARG N N 479 117.047 119.451 -2.404 1
1 35 . 4 1 1 A 18 18 TYR H H 480 7.934 8.528 -0.594 1
1 36 . 4 1 1 A 18 18 TYR N N 480 120.969 121.011 -0.042 1
1 37 . 4 1 1 A 19 19 LEU H H 481 8.556 8.582 -0.026 1
1 38 . 4 1 1 A 19 19 LEU N N 481 119.137 120.910 -1.773 1
1 39 . 4 1 1 A 20 20 MET H H 482 8.381 8.395 -0.014 1
1 40 . 4 1 1 A 20 20 MET N N 482 117.261 117.091 0.170 1
1 41 . 4 1 1 A 21 21 THR H H 483 7.991 7.685 0.306 1
1 42 . 4 1 1 A 21 21 THR N N 483 115.676 116.069 -0.393 1
1 43 . 4 1 1 A 22 22 LEU H H 484 7.936 7.572 0.364 1
1 44 . 4 1 1 A 22 22 LEU N N 484 122.157 117.746 4.411 1
1 45 . 4 1 1 A 23 23 LEU H H 485 8.025 8.414 -0.389 1
1 46 . 4 1 1 A 23 23 LEU N N 485 118.525 121.393 -2.868 1
1 47 . 4 1 1 A 24 24 ASP H H 486 7.486 8.218 -0.732 1
1 48 . 4 1 1 A 24 24 ASP N N 486 117.162 119.125 -1.963 1
1 49 . 4 1 1 A 25 25 ASP H H 487 7.538 7.601 -0.063 1
1 50 . 4 1 1 A 25 25 ASP N N 487 118.593 117.189 1.404 1
1 51 . 4 1 1 A 26 26 ILE H H 488 7.550 7.393 0.157 1
1 52 . 4 1 1 A 26 26 ILE N N 488 121.728 121.114 0.614 1
1 53 . 4 1 1 A 27 27 LYS H H 489 9.443 8.746 0.697 1
1 54 . 4 1 1 A 27 27 LYS N N 489 127.933 128.346 -0.413 1
1 55 . 4 1 1 A 28 28 GLY H H 490 8.763 6.973 1.790 1
1 56 . 4 1 1 A 28 28 GLY N N 490 112.504 104.280 8.224 1
1 57 . 4 1 1 A 29 29 ALA H H 491 7.932 8.579 -0.647 1
1 58 . 4 1 1 A 29 29 ALA N N 491 125.886 126.068 -0.182 1
1 59 . 4 1 1 A 30 30 ASN H H 492 8.375 8.353 0.022 1
1 60 . 4 1 1 A 30 30 ASN N N 492 118.503 117.709 0.794 1
1 61 . 4 1 1 A 31 31 ASP H H 493 8.901 8.000 0.901 1
1 62 . 4 1 1 A 31 31 ASP N N 493 123.117 119.565 3.552 1
1 63 . 4 1 1 A 32 32 LEU H H 494 8.239 8.002 0.237 1
1 64 . 4 1 1 A 32 32 LEU N N 494 122.294 121.079 1.215 1
1 65 . 4 1 1 A 33 33 ALA H H 495 8.018 8.554 -0.536 1
1 66 . 4 1 1 A 33 33 ALA N N 495 121.358 120.497 0.861 1
1 67 . 4 1 1 A 34 34 LYS H H 496 7.974 7.757 0.217 1
1 68 . 4 1 1 A 34 34 LYS N N 496 119.384 118.946 0.438 1
1 69 . 4 1 1 A 35 35 PHE H H 497 8.772 8.309 0.463 1
1 70 . 4 1 1 A 35 35 PHE N N 497 121.439 118.171 3.268 1
1 71 . 4 1 1 A 36 36 HIS H H 498 8.827 8.279 0.548 1
1 72 . 4 1 1 A 36 36 HIS N N 498 118.260 119.658 -1.398 1
1 73 . 4 1 1 A 37 37 GLN H H 499 8.144 8.409 -0.265 1
1 74 . 4 1 1 A 37 37 GLN N N 499 116.291 117.722 -1.431 1
1 75 . 4 1 1 A 38 38 MET H H 500 7.940 7.925 0.015 1
1 76 . 4 1 1 A 38 38 MET N N 500 117.445 119.543 -2.098 1
1 77 . 4 1 1 A 39 39 LEU H H 501 8.866 8.162 0.704 1
1 78 . 4 1 1 A 39 39 LEU N N 501 120.987 117.344 3.643 1
1 79 . 4 1 1 A 40 40 VAL H H 502 8.196 8.106 0.090 1
1 80 . 4 1 1 A 40 40 VAL N N 502 116.383 119.281 -2.898 1
1 81 . 4 1 1 A 41 41 LYS H H 503 7.160 8.080 -0.920 1
1 82 . 4 1 1 A 41 41 LYS N N 503 118.718 119.535 -0.817 1
1 83 . 4 1 1 A 42 42 ILE H H 504 8.052 7.649 0.403 1
1 84 . 4 1 1 A 42 42 ILE N N 504 120.232 120.173 0.059 1
1 1 . 5 1 1 A 1 1 VAL H H 463 7.568 7.894 -0.326 1
1 2 . 5 1 1 A 1 1 VAL N N 463 124.990 121.411 3.579 1
1 3 . 5 1 1 A 2 2 ILE H H 464 8.230 8.197 0.033 1
1 4 . 5 1 1 A 2 2 ILE N N 464 120.553 120.150 0.403 1
1 5 . 5 1 1 A 3 3 ARG H H 465 8.608 7.983 0.625 1
1 6 . 5 1 1 A 3 3 ARG N N 465 118.677 122.401 -3.724 1
1 7 . 5 1 1 A 4 4 SER H H 466 7.857 8.016 -0.159 1
1 8 . 5 1 1 A 4 4 SER N N 466 114.311 113.959 0.352 1
1 9 . 5 1 1 A 5 5 ILE H H 467 8.335 7.720 0.615 1
1 10 . 5 1 1 A 5 5 ILE N N 467 124.384 121.368 3.016 1
1 11 . 5 1 1 A 6 6 ILE H H 468 8.204 8.126 0.078 1
1 12 . 5 1 1 A 6 6 ILE N N 468 118.479 118.092 0.387 1
1 13 . 5 1 1 A 7 7 LYS H H 469 8.595 7.788 0.807 1
1 14 . 5 1 1 A 7 7 LYS N N 469 119.302 122.351 -3.049 1
1 15 . 5 1 1 A 8 8 SER H H 470 8.162 7.797 0.365 1
1 16 . 5 1 1 A 8 8 SER N N 470 111.766 113.740 -1.974 1
1 17 . 5 1 1 A 9 9 SER H H 471 7.529 7.595 -0.066 1
1 18 . 5 1 1 A 9 9 SER N N 471 117.943 117.006 0.937 1
1 19 . 5 1 1 A 10 10 ARG H H 472 9.338 8.661 0.677 1
1 20 . 5 1 1 A 10 10 ARG N N 472 118.011 126.901 -8.890 1
1 21 . 5 1 1 A 11 11 LEU H H 473 6.936 7.842 -0.906 1
1 22 . 5 1 1 A 11 11 LEU N N 473 117.884 117.802 0.082 1
1 23 . 5 1 1 A 12 12 GLU H H 474 9.227 7.231 1.996 1
1 24 . 5 1 1 A 12 12 GLU N N 474 119.961 118.310 1.651 1
1 25 . 5 1 1 A 13 13 GLU H H 475 9.132 8.173 0.959 1
1 26 . 5 1 1 A 13 13 GLU N N 475 123.238 123.746 -0.508 1
1 27 . 5 1 1 A 14 14 ASP H H 476 9.111 8.434 0.677 1
1 28 . 5 1 1 A 14 14 ASP N N 476 116.704 119.949 -3.245 1
1 29 . 5 1 1 A 15 15 ARG H H 477 7.383 8.133 -0.750 1
1 30 . 5 1 1 A 15 15 ARG N N 477 121.479 121.172 0.307 1
1 31 . 5 1 1 A 16 16 LYS H H 478 8.325 8.314 0.011 1
1 32 . 5 1 1 A 16 16 LYS N N 478 119.187 118.345 0.842 1
1 33 . 5 1 1 A 17 17 ARG H H 479 8.157 7.745 0.412 1
1 34 . 5 1 1 A 17 17 ARG N N 479 117.047 119.949 -2.902 1
1 35 . 5 1 1 A 18 18 TYR H H 480 7.934 8.429 -0.495 1
1 36 . 5 1 1 A 18 18 TYR N N 480 120.969 121.049 -0.080 1
1 37 . 5 1 1 A 19 19 LEU H H 481 8.556 8.708 -0.152 1
1 38 . 5 1 1 A 19 19 LEU N N 481 119.137 120.894 -1.757 1
1 39 . 5 1 1 A 20 20 MET H H 482 8.381 8.066 0.315 1
1 40 . 5 1 1 A 20 20 MET N N 482 117.261 118.890 -1.629 1
1 41 . 5 1 1 A 21 21 THR H H 483 7.991 8.053 -0.062 1
1 42 . 5 1 1 A 21 21 THR N N 483 115.676 114.497 1.179 1
1 43 . 5 1 1 A 22 22 LEU H H 484 7.936 7.796 0.140 1
1 44 . 5 1 1 A 22 22 LEU N N 484 122.157 120.855 1.302 1
1 45 . 5 1 1 A 23 23 LEU H H 485 8.025 8.483 -0.458 1
1 46 . 5 1 1 A 23 23 LEU N N 485 118.525 119.975 -1.450 1
1 47 . 5 1 1 A 24 24 ASP H H 486 7.486 8.332 -0.846 1
1 48 . 5 1 1 A 24 24 ASP N N 486 117.162 118.529 -1.367 1
1 49 . 5 1 1 A 25 25 ASP H H 487 7.538 7.927 -0.389 1
1 50 . 5 1 1 A 25 25 ASP N N 487 118.593 117.882 0.711 1
1 51 . 5 1 1 A 26 26 ILE H H 488 7.550 7.313 0.237 1
1 52 . 5 1 1 A 26 26 ILE N N 488 121.728 121.677 0.051 1
1 53 . 5 1 1 A 27 27 LYS H H 489 9.443 8.809 0.634 1
1 54 . 5 1 1 A 27 27 LYS N N 489 127.933 125.884 2.049 1
1 55 . 5 1 1 A 28 28 GLY H H 490 8.763 7.934 0.829 1
1 56 . 5 1 1 A 28 28 GLY N N 490 112.504 107.733 4.771 1
1 57 . 5 1 1 A 29 29 ALA H H 491 7.932 9.065 -1.133 1
1 58 . 5 1 1 A 29 29 ALA N N 491 125.886 126.529 -0.643 1
1 59 . 5 1 1 A 30 30 ASN H H 492 8.375 8.280 0.095 1
1 60 . 5 1 1 A 30 30 ASN N N 492 118.503 117.259 1.244 1
1 61 . 5 1 1 A 31 31 ASP H H 493 8.901 8.074 0.827 1
1 62 . 5 1 1 A 31 31 ASP N N 493 123.117 119.120 3.997 1
1 63 . 5 1 1 A 32 32 LEU H H 494 8.239 7.757 0.482 1
1 64 . 5 1 1 A 32 32 LEU N N 494 122.294 117.080 5.214 1
1 65 . 5 1 1 A 33 33 ALA H H 495 8.018 8.109 -0.091 1
1 66 . 5 1 1 A 33 33 ALA N N 495 121.358 121.218 0.140 1
1 67 . 5 1 1 A 34 34 LYS H H 496 7.974 7.611 0.363 1
1 68 . 5 1 1 A 34 34 LYS N N 496 119.384 117.975 1.409 1
1 69 . 5 1 1 A 35 35 PHE H H 497 8.772 8.082 0.690 1
1 70 . 5 1 1 A 35 35 PHE N N 497 121.439 119.490 1.949 1
1 71 . 5 1 1 A 36 36 HIS H H 498 8.827 8.331 0.496 1
1 72 . 5 1 1 A 36 36 HIS N N 498 118.260 119.114 -0.854 1
1 73 . 5 1 1 A 37 37 GLN H H 499 8.144 8.408 -0.264 1
1 74 . 5 1 1 A 37 37 GLN N N 499 116.291 117.421 -1.130 1
1 75 . 5 1 1 A 38 38 MET H H 500 7.940 7.906 0.034 1
1 76 . 5 1 1 A 38 38 MET N N 500 117.445 119.932 -2.487 1
1 77 . 5 1 1 A 39 39 LEU H H 501 8.866 8.011 0.855 1
1 78 . 5 1 1 A 39 39 LEU N N 501 120.987 120.105 0.882 1
1 79 . 5 1 1 A 40 40 VAL H H 502 8.196 7.901 0.295 1
1 80 . 5 1 1 A 40 40 VAL N N 502 116.383 119.900 -3.517 1
1 81 . 5 1 1 A 41 41 LYS H H 503 7.160 8.209 -1.049 1
1 82 . 5 1 1 A 41 41 LYS N N 503 118.718 118.423 0.295 1
1 83 . 5 1 1 A 42 42 ILE H H 504 8.052 8.048 0.004 1
1 84 . 5 1 1 A 42 42 ILE N N 504 120.232 120.168 0.064 1
1 1 . 6 1 1 A 1 1 VAL H H 463 7.568 7.894 -0.326 1
1 2 . 6 1 1 A 1 1 VAL N N 463 124.990 121.491 3.499 1
1 3 . 6 1 1 A 2 2 ILE H H 464 8.230 8.237 -0.007 1
1 4 . 6 1 1 A 2 2 ILE N N 464 120.553 120.437 0.116 1
1 5 . 6 1 1 A 3 3 ARG H H 465 8.608 8.117 0.491 1
1 6 . 6 1 1 A 3 3 ARG N N 465 118.677 122.559 -3.882 1
1 7 . 6 1 1 A 4 4 SER H H 466 7.857 8.316 -0.459 1
1 8 . 6 1 1 A 4 4 SER N N 466 114.311 116.353 -2.042 1
1 9 . 6 1 1 A 5 5 ILE H H 467 8.335 7.796 0.539 1
1 10 . 6 1 1 A 5 5 ILE N N 467 124.384 120.354 4.030 1
1 11 . 6 1 1 A 6 6 ILE H H 468 8.204 8.060 0.144 1
1 12 . 6 1 1 A 6 6 ILE N N 468 118.479 117.896 0.583 1
1 13 . 6 1 1 A 7 7 LYS H H 469 8.595 7.939 0.656 1
1 14 . 6 1 1 A 7 7 LYS N N 469 119.302 122.709 -3.407 1
1 15 . 6 1 1 A 8 8 SER H H 470 8.162 7.817 0.345 1
1 16 . 6 1 1 A 8 8 SER N N 470 111.766 114.703 -2.937 1
1 17 . 6 1 1 A 9 9 SER H H 471 7.529 7.697 -0.168 1
1 18 . 6 1 1 A 9 9 SER N N 471 117.943 117.832 0.111 1
1 19 . 6 1 1 A 10 10 ARG H H 472 9.338 8.735 0.603 1
1 20 . 6 1 1 A 10 10 ARG N N 472 118.011 126.883 -8.872 1
1 21 . 6 1 1 A 11 11 LEU H H 473 6.936 8.574 -1.638 1
1 22 . 6 1 1 A 11 11 LEU N N 473 117.884 119.827 -1.943 1
1 23 . 6 1 1 A 12 12 GLU H H 474 9.227 7.977 1.250 1
1 24 . 6 1 1 A 12 12 GLU N N 474 119.961 117.455 2.506 1
1 25 . 6 1 1 A 13 13 GLU H H 475 9.132 8.799 0.333 1
1 26 . 6 1 1 A 13 13 GLU N N 475 123.238 125.162 -1.924 1
1 27 . 6 1 1 A 14 14 ASP H H 476 9.111 8.550 0.561 1
1 28 . 6 1 1 A 14 14 ASP N N 476 116.704 119.486 -2.782 1
1 29 . 6 1 1 A 15 15 ARG H H 477 7.383 8.076 -0.693 1
1 30 . 6 1 1 A 15 15 ARG N N 477 121.479 119.586 1.893 1
1 31 . 6 1 1 A 16 16 LYS H H 478 8.325 8.221 0.104 1
1 32 . 6 1 1 A 16 16 LYS N N 478 119.187 118.883 0.304 1
1 33 . 6 1 1 A 17 17 ARG H H 479 8.157 7.831 0.326 1
1 34 . 6 1 1 A 17 17 ARG N N 479 117.047 119.713 -2.666 1
1 35 . 6 1 1 A 18 18 TYR H H 480 7.934 8.444 -0.510 1
1 36 . 6 1 1 A 18 18 TYR N N 480 120.969 121.414 -0.445 1
1 37 . 6 1 1 A 19 19 LEU H H 481 8.556 8.729 -0.173 1
1 38 . 6 1 1 A 19 19 LEU N N 481 119.137 120.850 -1.713 1
1 39 . 6 1 1 A 20 20 MET H H 482 8.381 7.667 0.714 1
1 40 . 6 1 1 A 20 20 MET N N 482 117.261 118.810 -1.549 1
1 41 . 6 1 1 A 21 21 THR H H 483 7.991 7.892 0.099 1
1 42 . 6 1 1 A 21 21 THR N N 483 115.676 114.782 0.894 1
1 43 . 6 1 1 A 22 22 LEU H H 484 7.936 7.716 0.220 1
1 44 . 6 1 1 A 22 22 LEU N N 484 122.157 120.920 1.237 1
1 45 . 6 1 1 A 23 23 LEU H H 485 8.025 8.250 -0.225 1
1 46 . 6 1 1 A 23 23 LEU N N 485 118.525 120.275 -1.750 1
1 47 . 6 1 1 A 24 24 ASP H H 486 7.486 8.197 -0.711 1
1 48 . 6 1 1 A 24 24 ASP N N 486 117.162 119.169 -2.007 1
1 49 . 6 1 1 A 25 25 ASP H H 487 7.538 7.695 -0.157 1
1 50 . 6 1 1 A 25 25 ASP N N 487 118.593 117.630 0.963 1
1 51 . 6 1 1 A 26 26 ILE H H 488 7.550 7.244 0.306 1
1 52 . 6 1 1 A 26 26 ILE N N 488 121.728 121.668 0.060 1
1 53 . 6 1 1 A 27 27 LYS H H 489 9.443 8.835 0.608 1
1 54 . 6 1 1 A 27 27 LYS N N 489 127.933 122.217 5.716 1
1 55 . 6 1 1 A 28 28 GLY H H 490 8.763 7.921 0.842 1
1 56 . 6 1 1 A 28 28 GLY N N 490 112.504 108.793 3.711 1
1 57 . 6 1 1 A 29 29 ALA H H 491 7.932 9.201 -1.269 1
1 58 . 6 1 1 A 29 29 ALA N N 491 125.886 127.623 -1.737 1
1 59 . 6 1 1 A 30 30 ASN H H 492 8.375 8.238 0.137 1
1 60 . 6 1 1 A 30 30 ASN N N 492 118.503 116.900 1.603 1
1 61 . 6 1 1 A 31 31 ASP H H 493 8.901 8.287 0.614 1
1 62 . 6 1 1 A 31 31 ASP N N 493 123.117 120.073 3.044 1
1 63 . 6 1 1 A 32 32 LEU H H 494 8.239 8.117 0.122 1
1 64 . 6 1 1 A 32 32 LEU N N 494 122.294 118.932 3.362 1
1 65 . 6 1 1 A 33 33 ALA H H 495 8.018 7.911 0.107 1
1 66 . 6 1 1 A 33 33 ALA N N 495 121.358 122.358 -1.000 1
1 67 . 6 1 1 A 34 34 LYS H H 496 7.974 7.925 0.049 1
1 68 . 6 1 1 A 34 34 LYS N N 496 119.384 119.004 0.380 1
1 69 . 6 1 1 A 35 35 PHE H H 497 8.772 8.266 0.506 1
1 70 . 6 1 1 A 35 35 PHE N N 497 121.439 118.865 2.574 1
1 71 . 6 1 1 A 36 36 HIS H H 498 8.827 8.336 0.491 1
1 72 . 6 1 1 A 36 36 HIS N N 498 118.260 119.133 -0.873 1
1 73 . 6 1 1 A 37 37 GLN H H 499 8.144 8.448 -0.304 1
1 74 . 6 1 1 A 37 37 GLN N N 499 116.291 118.347 -2.056 1
1 75 . 6 1 1 A 38 38 MET H H 500 7.940 8.111 -0.171 1
1 76 . 6 1 1 A 38 38 MET N N 500 117.445 119.414 -1.969 1
1 77 . 6 1 1 A 39 39 LEU H H 501 8.866 8.022 0.844 1
1 78 . 6 1 1 A 39 39 LEU N N 501 120.987 120.088 0.899 1
1 79 . 6 1 1 A 40 40 VAL H H 502 8.196 7.873 0.323 1
1 80 . 6 1 1 A 40 40 VAL N N 502 116.383 119.676 -3.293 1
1 81 . 6 1 1 A 41 41 LYS H H 503 7.160 8.029 -0.869 1
1 82 . 6 1 1 A 41 41 LYS N N 503 118.718 118.791 -0.073 1
1 83 . 6 1 1 A 42 42 ILE H H 504 8.052 7.871 0.181 1
1 84 . 6 1 1 A 42 42 ILE N N 504 120.232 120.129 0.103 1
1 1 . 7 1 1 A 1 1 VAL H H 463 7.568 7.944 -0.376 1
1 2 . 7 1 1 A 1 1 VAL N N 463 124.990 121.478 3.512 1
1 3 . 7 1 1 A 2 2 ILE H H 464 8.230 8.118 0.112 1
1 4 . 7 1 1 A 2 2 ILE N N 464 120.553 120.433 0.120 1
1 5 . 7 1 1 A 3 3 ARG H H 465 8.608 8.221 0.387 1
1 6 . 7 1 1 A 3 3 ARG N N 465 118.677 121.090 -2.413 1
1 7 . 7 1 1 A 4 4 SER H H 466 7.857 7.880 -0.023 1
1 8 . 7 1 1 A 4 4 SER N N 466 114.311 114.102 0.209 1
1 9 . 7 1 1 A 5 5 ILE H H 467 8.335 7.870 0.465 1
1 10 . 7 1 1 A 5 5 ILE N N 467 124.384 120.793 3.591 1
1 11 . 7 1 1 A 6 6 ILE H H 468 8.204 8.136 0.068 1
1 12 . 7 1 1 A 6 6 ILE N N 468 118.479 118.353 0.126 1
1 13 . 7 1 1 A 7 7 LYS H H 469 8.595 8.015 0.580 1
1 14 . 7 1 1 A 7 7 LYS N N 469 119.302 122.289 -2.987 1
1 15 . 7 1 1 A 8 8 SER H H 470 8.162 7.538 0.624 1
1 16 . 7 1 1 A 8 8 SER N N 470 111.766 114.077 -2.311 1
1 17 . 7 1 1 A 9 9 SER H H 471 7.529 7.566 -0.037 1
1 18 . 7 1 1 A 9 9 SER N N 471 117.943 116.806 1.137 1
1 19 . 7 1 1 A 10 10 ARG H H 472 9.338 8.931 0.407 1
1 20 . 7 1 1 A 10 10 ARG N N 472 118.011 126.354 -8.343 1
1 21 . 7 1 1 A 11 11 LEU H H 473 6.936 8.029 -1.093 1
1 22 . 7 1 1 A 11 11 LEU N N 473 117.884 117.666 0.218 1
1 23 . 7 1 1 A 12 12 GLU H H 474 9.227 7.989 1.238 1
1 24 . 7 1 1 A 12 12 GLU N N 474 119.961 117.476 2.485 1
1 25 . 7 1 1 A 13 13 GLU H H 475 9.132 8.869 0.263 1
1 26 . 7 1 1 A 13 13 GLU N N 475 123.238 122.699 0.539 1
1 27 . 7 1 1 A 14 14 ASP H H 476 9.111 8.545 0.566 1
1 28 . 7 1 1 A 14 14 ASP N N 476 116.704 119.626 -2.922 1
1 29 . 7 1 1 A 15 15 ARG H H 477 7.383 7.971 -0.588 1
1 30 . 7 1 1 A 15 15 ARG N N 477 121.479 119.576 1.903 1
1 31 . 7 1 1 A 16 16 LYS H H 478 8.325 8.166 0.159 1
1 32 . 7 1 1 A 16 16 LYS N N 478 119.187 118.644 0.543 1
1 33 . 7 1 1 A 17 17 ARG H H 479 8.157 7.788 0.369 1
1 34 . 7 1 1 A 17 17 ARG N N 479 117.047 119.881 -2.834 1
1 35 . 7 1 1 A 18 18 TYR H H 480 7.934 8.693 -0.759 1
1 36 . 7 1 1 A 18 18 TYR N N 480 120.969 121.168 -0.199 1
1 37 . 7 1 1 A 19 19 LEU H H 481 8.556 8.875 -0.319 1
1 38 . 7 1 1 A 19 19 LEU N N 481 119.137 120.901 -1.764 1
1 39 . 7 1 1 A 20 20 MET H H 482 8.381 8.150 0.231 1
1 40 . 7 1 1 A 20 20 MET N N 482 117.261 119.402 -2.141 1
1 41 . 7 1 1 A 21 21 THR H H 483 7.991 7.990 0.001 1
1 42 . 7 1 1 A 21 21 THR N N 483 115.676 114.413 1.263 1
1 43 . 7 1 1 A 22 22 LEU H H 484 7.936 7.648 0.288 1
1 44 . 7 1 1 A 22 22 LEU N N 484 122.157 120.233 1.924 1
1 45 . 7 1 1 A 23 23 LEU H H 485 8.025 8.335 -0.310 1
1 46 . 7 1 1 A 23 23 LEU N N 485 118.525 120.235 -1.710 1
1 47 . 7 1 1 A 24 24 ASP H H 486 7.486 8.392 -0.906 1
1 48 . 7 1 1 A 24 24 ASP N N 486 117.162 118.396 -1.234 1
1 49 . 7 1 1 A 25 25 ASP H H 487 7.538 7.681 -0.143 1
1 50 . 7 1 1 A 25 25 ASP N N 487 118.593 118.585 0.008 1
1 51 . 7 1 1 A 26 26 ILE H H 488 7.550 7.032 0.518 1
1 52 . 7 1 1 A 26 26 ILE N N 488 121.728 121.654 0.074 1
1 53 . 7 1 1 A 27 27 LYS H H 489 9.443 8.679 0.764 1
1 54 . 7 1 1 A 27 27 LYS N N 489 127.933 129.218 -1.285 1
1 55 . 7 1 1 A 28 28 GLY H H 490 8.763 8.356 0.407 1
1 56 . 7 1 1 A 28 28 GLY N N 490 112.504 113.058 -0.554 1
1 57 . 7 1 1 A 29 29 ALA H H 491 7.932 9.082 -1.150 1
1 58 . 7 1 1 A 29 29 ALA N N 491 125.886 126.447 -0.561 1
1 59 . 7 1 1 A 30 30 ASN H H 492 8.375 8.284 0.091 1
1 60 . 7 1 1 A 30 30 ASN N N 492 118.503 117.330 1.173 1
1 61 . 7 1 1 A 31 31 ASP H H 493 8.901 8.108 0.793 1
1 62 . 7 1 1 A 31 31 ASP N N 493 123.117 120.390 2.727 1
1 63 . 7 1 1 A 32 32 LEU H H 494 8.239 8.278 -0.039 1
1 64 . 7 1 1 A 32 32 LEU N N 494 122.294 120.394 1.900 1
1 65 . 7 1 1 A 33 33 ALA H H 495 8.018 8.422 -0.404 1
1 66 . 7 1 1 A 33 33 ALA N N 495 121.358 121.063 0.295 1
1 67 . 7 1 1 A 34 34 LYS H H 496 7.974 7.946 0.028 1
1 68 . 7 1 1 A 34 34 LYS N N 496 119.384 119.173 0.211 1
1 69 . 7 1 1 A 35 35 PHE H H 497 8.772 8.605 0.167 1
1 70 . 7 1 1 A 35 35 PHE N N 497 121.439 119.099 2.340 1
1 71 . 7 1 1 A 36 36 HIS H H 498 8.827 8.220 0.607 1
1 72 . 7 1 1 A 36 36 HIS N N 498 118.260 119.117 -0.857 1
1 73 . 7 1 1 A 37 37 GLN H H 499 8.144 8.505 -0.361 1
1 74 . 7 1 1 A 37 37 GLN N N 499 116.291 117.868 -1.577 1
1 75 . 7 1 1 A 38 38 MET H H 500 7.940 7.923 0.017 1
1 76 . 7 1 1 A 38 38 MET N N 500 117.445 119.816 -2.371 1
1 77 . 7 1 1 A 39 39 LEU H H 501 8.866 7.927 0.939 1
1 78 . 7 1 1 A 39 39 LEU N N 501 120.987 120.188 0.799 1
1 79 . 7 1 1 A 40 40 VAL H H 502 8.196 7.903 0.293 1
1 80 . 7 1 1 A 40 40 VAL N N 502 116.383 119.825 -3.442 1
1 81 . 7 1 1 A 41 41 LYS H H 503 7.160 7.773 -0.613 1
1 82 . 7 1 1 A 41 41 LYS N N 503 118.718 118.898 -0.180 1
1 83 . 7 1 1 A 42 42 ILE H H 504 8.052 7.995 0.057 1
1 84 . 7 1 1 A 42 42 ILE N N 504 120.232 120.336 -0.104 1
1 1 . 8 1 1 A 1 1 VAL H H 463 7.568 7.916 -0.348 1
1 2 . 8 1 1 A 1 1 VAL N N 463 124.990 121.449 3.541 1
1 3 . 8 1 1 A 2 2 ILE H H 464 8.230 8.237 -0.007 1
1 4 . 8 1 1 A 2 2 ILE N N 464 120.553 118.857 1.696 1
1 5 . 8 1 1 A 3 3 ARG H H 465 8.608 8.098 0.510 1
1 6 . 8 1 1 A 3 3 ARG N N 465 118.677 121.435 -2.758 1
1 7 . 8 1 1 A 4 4 SER H H 466 7.857 7.995 -0.138 1
1 8 . 8 1 1 A 4 4 SER N N 466 114.311 116.932 -2.621 1
1 9 . 8 1 1 A 5 5 ILE H H 467 8.335 8.018 0.317 1
1 10 . 8 1 1 A 5 5 ILE N N 467 124.384 120.548 3.836 1
1 11 . 8 1 1 A 6 6 ILE H H 468 8.204 7.931 0.273 1
1 12 . 8 1 1 A 6 6 ILE N N 468 118.479 117.927 0.552 1
1 13 . 8 1 1 A 7 7 LYS H H 469 8.595 7.583 1.012 1
1 14 . 8 1 1 A 7 7 LYS N N 469 119.302 121.913 -2.611 1
1 15 . 8 1 1 A 8 8 SER H H 470 8.162 7.810 0.352 1
1 16 . 8 1 1 A 8 8 SER N N 470 111.766 111.276 0.490 1
1 17 . 8 1 1 A 9 9 SER H H 471 7.529 7.606 -0.077 1
1 18 . 8 1 1 A 9 9 SER N N 471 117.943 117.781 0.162 1
1 19 . 8 1 1 A 10 10 ARG H H 472 9.338 8.754 0.584 1
1 20 . 8 1 1 A 10 10 ARG N N 472 118.011 122.399 -4.388 1
1 21 . 8 1 1 A 11 11 LEU H H 473 6.936 8.560 -1.624 1
1 22 . 8 1 1 A 11 11 LEU N N 473 117.884 121.414 -3.530 1
1 23 . 8 1 1 A 12 12 GLU H H 474 9.227 7.737 1.490 1
1 24 . 8 1 1 A 12 12 GLU N N 474 119.961 114.310 5.651 1
1 25 . 8 1 1 A 13 13 GLU H H 475 9.132 8.773 0.359 1
1 26 . 8 1 1 A 13 13 GLU N N 475 123.238 126.000 -2.762 1
1 27 . 8 1 1 A 14 14 ASP H H 476 9.111 8.475 0.636 1
1 28 . 8 1 1 A 14 14 ASP N N 476 116.704 120.607 -3.903 1
1 29 . 8 1 1 A 15 15 ARG H H 477 7.383 7.851 -0.468 1
1 30 . 8 1 1 A 15 15 ARG N N 477 121.479 120.609 0.870 1
1 31 . 8 1 1 A 16 16 LYS H H 478 8.325 8.088 0.237 1
1 32 . 8 1 1 A 16 16 LYS N N 478 119.187 118.365 0.822 1
1 33 . 8 1 1 A 17 17 ARG H H 479 8.157 7.849 0.308 1
1 34 . 8 1 1 A 17 17 ARG N N 479 117.047 119.485 -2.438 1
1 35 . 8 1 1 A 18 18 TYR H H 480 7.934 8.461 -0.527 1
1 36 . 8 1 1 A 18 18 TYR N N 480 120.969 121.614 -0.645 1
1 37 . 8 1 1 A 19 19 LEU H H 481 8.556 9.205 -0.649 1
1 38 . 8 1 1 A 19 19 LEU N N 481 119.137 119.758 -0.621 1
1 39 . 8 1 1 A 20 20 MET H H 482 8.381 8.483 -0.102 1
1 40 . 8 1 1 A 20 20 MET N N 482 117.261 119.096 -1.835 1
1 41 . 8 1 1 A 21 21 THR H H 483 7.991 8.023 -0.032 1
1 42 . 8 1 1 A 21 21 THR N N 483 115.676 114.329 1.347 1
1 43 . 8 1 1 A 22 22 LEU H H 484 7.936 7.749 0.187 1
1 44 . 8 1 1 A 22 22 LEU N N 484 122.157 120.864 1.293 1
1 45 . 8 1 1 A 23 23 LEU H H 485 8.025 8.718 -0.693 1
1 46 . 8 1 1 A 23 23 LEU N N 485 118.525 117.581 0.944 1
1 47 . 8 1 1 A 24 24 ASP H H 486 7.486 8.043 -0.557 1
1 48 . 8 1 1 A 24 24 ASP N N 486 117.162 119.660 -2.498 1
1 49 . 8 1 1 A 25 25 ASP H H 487 7.538 7.949 -0.411 1
1 50 . 8 1 1 A 25 25 ASP N N 487 118.593 119.239 -0.646 1
1 51 . 8 1 1 A 26 26 ILE H H 488 7.550 7.641 -0.091 1
1 52 . 8 1 1 A 26 26 ILE N N 488 121.728 119.880 1.848 1
1 53 . 8 1 1 A 27 27 LYS H H 489 9.443 7.321 2.122 1
1 54 . 8 1 1 A 27 27 LYS N N 489 127.933 118.577 9.356 1
1 55 . 8 1 1 A 28 28 GLY H H 490 8.763 8.063 0.700 1
1 56 . 8 1 1 A 28 28 GLY N N 490 112.504 107.455 5.049 1
1 57 . 8 1 1 A 29 29 ALA H H 491 7.932 8.885 -0.953 1
1 58 . 8 1 1 A 29 29 ALA N N 491 125.886 128.396 -2.510 1
1 59 . 8 1 1 A 30 30 ASN H H 492 8.375 8.311 0.064 1
1 60 . 8 1 1 A 30 30 ASN N N 492 118.503 116.632 1.871 1
1 61 . 8 1 1 A 31 31 ASP H H 493 8.901 8.164 0.737 1
1 62 . 8 1 1 A 31 31 ASP N N 493 123.117 118.351 4.766 1
1 63 . 8 1 1 A 32 32 LEU H H 494 8.239 8.295 -0.056 1
1 64 . 8 1 1 A 32 32 LEU N N 494 122.294 121.304 0.990 1
1 65 . 8 1 1 A 33 33 ALA H H 495 8.018 7.770 0.248 1
1 66 . 8 1 1 A 33 33 ALA N N 495 121.358 122.108 -0.750 1
1 67 . 8 1 1 A 34 34 LYS H H 496 7.974 8.031 -0.057 1
1 68 . 8 1 1 A 34 34 LYS N N 496 119.384 119.554 -0.170 1
1 69 . 8 1 1 A 35 35 PHE H H 497 8.772 8.391 0.381 1
1 70 . 8 1 1 A 35 35 PHE N N 497 121.439 118.147 3.292 1
1 71 . 8 1 1 A 36 36 HIS H H 498 8.827 8.194 0.633 1
1 72 . 8 1 1 A 36 36 HIS N N 498 118.260 119.510 -1.250 1
1 73 . 8 1 1 A 37 37 GLN H H 499 8.144 8.533 -0.389 1
1 74 . 8 1 1 A 37 37 GLN N N 499 116.291 118.152 -1.861 1
1 75 . 8 1 1 A 38 38 MET H H 500 7.940 8.041 -0.101 1
1 76 . 8 1 1 A 38 38 MET N N 500 117.445 119.361 -1.916 1
1 77 . 8 1 1 A 39 39 LEU H H 501 8.866 8.248 0.618 1
1 78 . 8 1 1 A 39 39 LEU N N 501 120.987 120.071 0.916 1
1 79 . 8 1 1 A 40 40 VAL H H 502 8.196 8.048 0.148 1
1 80 . 8 1 1 A 40 40 VAL N N 502 116.383 119.864 -3.481 1
1 81 . 8 1 1 A 41 41 LYS H H 503 7.160 7.948 -0.788 1
1 82 . 8 1 1 A 41 41 LYS N N 503 118.718 117.854 0.864 1
1 83 . 8 1 1 A 42 42 ILE H H 504 8.052 7.779 0.273 1
1 84 . 8 1 1 A 42 42 ILE N N 504 120.232 118.825 1.407 1
1 1 . 9 1 1 A 1 1 VAL H H 463 7.568 8.781 -1.213 1
1 2 . 9 1 1 A 1 1 VAL N N 463 124.990 120.008 4.982 1
1 3 . 9 1 1 A 2 2 ILE H H 464 8.230 8.343 -0.113 1
1 4 . 9 1 1 A 2 2 ILE N N 464 120.553 119.849 0.704 1
1 5 . 9 1 1 A 3 3 ARG H H 465 8.608 7.972 0.636 1
1 6 . 9 1 1 A 3 3 ARG N N 465 118.677 122.120 -3.443 1
1 7 . 9 1 1 A 4 4 SER H H 466 7.857 8.142 -0.285 1
1 8 . 9 1 1 A 4 4 SER N N 466 114.311 115.023 -0.712 1
1 9 . 9 1 1 A 5 5 ILE H H 467 8.335 8.143 0.192 1
1 10 . 9 1 1 A 5 5 ILE N N 467 124.384 122.171 2.213 1
1 11 . 9 1 1 A 6 6 ILE H H 468 8.204 7.939 0.265 1
1 12 . 9 1 1 A 6 6 ILE N N 468 118.479 117.849 0.630 1
1 13 . 9 1 1 A 7 7 LYS H H 469 8.595 8.065 0.530 1
1 14 . 9 1 1 A 7 7 LYS N N 469 119.302 121.623 -2.321 1
1 15 . 9 1 1 A 8 8 SER H H 470 8.162 7.791 0.371 1
1 16 . 9 1 1 A 8 8 SER N N 470 111.766 114.053 -2.287 1
1 17 . 9 1 1 A 9 9 SER H H 471 7.529 7.503 0.026 1
1 18 . 9 1 1 A 9 9 SER N N 471 117.943 116.678 1.265 1
1 19 . 9 1 1 A 10 10 ARG H H 472 9.338 8.290 1.048 1
1 20 . 9 1 1 A 10 10 ARG N N 472 118.011 124.543 -6.532 1
1 21 . 9 1 1 A 11 11 LEU H H 473 6.936 7.896 -0.960 1
1 22 . 9 1 1 A 11 11 LEU N N 473 117.884 118.175 -0.291 1
1 23 . 9 1 1 A 12 12 GLU H H 474 9.227 7.985 1.242 1
1 24 . 9 1 1 A 12 12 GLU N N 474 119.961 119.177 0.784 1
1 25 . 9 1 1 A 13 13 GLU H H 475 9.132 8.510 0.622 1
1 26 . 9 1 1 A 13 13 GLU N N 475 123.238 126.348 -3.110 1
1 27 . 9 1 1 A 14 14 ASP H H 476 9.111 8.206 0.905 1
1 28 . 9 1 1 A 14 14 ASP N N 476 116.704 119.230 -2.526 1
1 29 . 9 1 1 A 15 15 ARG H H 477 7.383 8.163 -0.780 1
1 30 . 9 1 1 A 15 15 ARG N N 477 121.479 120.541 0.938 1
1 31 . 9 1 1 A 16 16 LYS H H 478 8.325 8.283 0.042 1
1 32 . 9 1 1 A 16 16 LYS N N 478 119.187 118.549 0.638 1
1 33 . 9 1 1 A 17 17 ARG H H 479 8.157 7.797 0.360 1
1 34 . 9 1 1 A 17 17 ARG N N 479 117.047 119.539 -2.492 1
1 35 . 9 1 1 A 18 18 TYR H H 480 7.934 8.593 -0.659 1
1 36 . 9 1 1 A 18 18 TYR N N 480 120.969 122.120 -1.151 1
1 37 . 9 1 1 A 19 19 LEU H H 481 8.556 9.057 -0.501 1
1 38 . 9 1 1 A 19 19 LEU N N 481 119.137 119.215 -0.078 1
1 39 . 9 1 1 A 20 20 MET H H 482 8.381 7.605 0.776 1
1 40 . 9 1 1 A 20 20 MET N N 482 117.261 119.093 -1.832 1
1 41 . 9 1 1 A 21 21 THR H H 483 7.991 7.906 0.085 1
1 42 . 9 1 1 A 21 21 THR N N 483 115.676 114.110 1.566 1
1 43 . 9 1 1 A 22 22 LEU H H 484 7.936 7.448 0.488 1
1 44 . 9 1 1 A 22 22 LEU N N 484 122.157 120.846 1.311 1
1 45 . 9 1 1 A 23 23 LEU H H 485 8.025 8.464 -0.439 1
1 46 . 9 1 1 A 23 23 LEU N N 485 118.525 116.305 2.220 1
1 47 . 9 1 1 A 24 24 ASP H H 486 7.486 7.846 -0.360 1
1 48 . 9 1 1 A 24 24 ASP N N 486 117.162 119.339 -2.177 1
1 49 . 9 1 1 A 25 25 ASP H H 487 7.538 7.684 -0.146 1
1 50 . 9 1 1 A 25 25 ASP N N 487 118.593 118.241 0.352 1
1 51 . 9 1 1 A 26 26 ILE H H 488 7.550 7.613 -0.063 1
1 52 . 9 1 1 A 26 26 ILE N N 488 121.728 118.617 3.111 1
1 53 . 9 1 1 A 27 27 LYS H H 489 9.443 8.105 1.338 1
1 54 . 9 1 1 A 27 27 LYS N N 489 127.933 121.911 6.022 1
1 55 . 9 1 1 A 28 28 GLY H H 490 8.763 8.076 0.687 1
1 56 . 9 1 1 A 28 28 GLY N N 490 112.504 112.215 0.289 1
1 57 . 9 1 1 A 29 29 ALA H H 491 7.932 9.230 -1.298 1
1 58 . 9 1 1 A 29 29 ALA N N 491 125.886 127.327 -1.441 1
1 59 . 9 1 1 A 30 30 ASN H H 492 8.375 8.136 0.239 1
1 60 . 9 1 1 A 30 30 ASN N N 492 118.503 117.089 1.414 1
1 61 . 9 1 1 A 31 31 ASP H H 493 8.901 8.199 0.702 1
1 62 . 9 1 1 A 31 31 ASP N N 493 123.117 119.729 3.388 1
1 63 . 9 1 1 A 32 32 LEU H H 494 8.239 8.488 -0.249 1
1 64 . 9 1 1 A 32 32 LEU N N 494 122.294 120.389 1.905 1
1 65 . 9 1 1 A 33 33 ALA H H 495 8.018 7.991 0.027 1
1 66 . 9 1 1 A 33 33 ALA N N 495 121.358 122.301 -0.943 1
1 67 . 9 1 1 A 34 34 LYS H H 496 7.974 7.671 0.303 1
1 68 . 9 1 1 A 34 34 LYS N N 496 119.384 118.924 0.460 1
1 69 . 9 1 1 A 35 35 PHE H H 497 8.772 8.521 0.251 1
1 70 . 9 1 1 A 35 35 PHE N N 497 121.439 119.151 2.288 1
1 71 . 9 1 1 A 36 36 HIS H H 498 8.827 8.327 0.500 1
1 72 . 9 1 1 A 36 36 HIS N N 498 118.260 119.114 -0.854 1
1 73 . 9 1 1 A 37 37 GLN H H 499 8.144 8.292 -0.148 1
1 74 . 9 1 1 A 37 37 GLN N N 499 116.291 117.936 -1.645 1
1 75 . 9 1 1 A 38 38 MET H H 500 7.940 8.069 -0.129 1
1 76 . 9 1 1 A 38 38 MET N N 500 117.445 119.913 -2.468 1
1 77 . 9 1 1 A 39 39 LEU H H 501 8.866 8.000 0.866 1
1 78 . 9 1 1 A 39 39 LEU N N 501 120.987 120.227 0.760 1
1 79 . 9 1 1 A 40 40 VAL H H 502 8.196 7.957 0.239 1
1 80 . 9 1 1 A 40 40 VAL N N 502 116.383 119.839 -3.456 1
1 81 . 9 1 1 A 41 41 LYS H H 503 7.160 7.937 -0.777 1
1 82 . 9 1 1 A 41 41 LYS N N 503 118.718 118.882 -0.164 1
1 83 . 9 1 1 A 42 42 ILE H H 504 8.052 7.906 0.146 1
1 84 . 9 1 1 A 42 42 ILE N N 504 120.232 120.227 0.005 1
1 1 . 10 1 1 A 1 1 VAL H H 463 7.568 7.835 -0.267 1
1 2 . 10 1 1 A 1 1 VAL N N 463 124.990 122.178 2.812 1
1 3 . 10 1 1 A 2 2 ILE H H 464 8.230 8.179 0.051 1
1 4 . 10 1 1 A 2 2 ILE N N 464 120.553 120.173 0.380 1
1 5 . 10 1 1 A 3 3 ARG H H 465 8.608 8.067 0.541 1
1 6 . 10 1 1 A 3 3 ARG N N 465 118.677 122.514 -3.837 1
1 7 . 10 1 1 A 4 4 SER H H 466 7.857 7.938 -0.081 1
1 8 . 10 1 1 A 4 4 SER N N 466 114.311 113.644 0.667 1
1 9 . 10 1 1 A 5 5 ILE H H 467 8.335 8.010 0.325 1
1 10 . 10 1 1 A 5 5 ILE N N 467 124.384 122.041 2.343 1
1 11 . 10 1 1 A 6 6 ILE H H 468 8.204 7.895 0.309 1
1 12 . 10 1 1 A 6 6 ILE N N 468 118.479 117.863 0.616 1
1 13 . 10 1 1 A 7 7 LYS H H 469 8.595 7.644 0.951 1
1 14 . 10 1 1 A 7 7 LYS N N 469 119.302 121.670 -2.368 1
1 15 . 10 1 1 A 8 8 SER H H 470 8.162 7.756 0.406 1
1 16 . 10 1 1 A 8 8 SER N N 470 111.766 114.076 -2.310 1
1 17 . 10 1 1 A 9 9 SER H H 471 7.529 7.656 -0.127 1
1 18 . 10 1 1 A 9 9 SER N N 471 117.943 118.818 -0.875 1
1 19 . 10 1 1 A 10 10 ARG H H 472 9.338 8.581 0.757 1
1 20 . 10 1 1 A 10 10 ARG N N 472 118.011 126.864 -8.853 1
1 21 . 10 1 1 A 11 11 LEU H H 473 6.936 7.809 -0.873 1
1 22 . 10 1 1 A 11 11 LEU N N 473 117.884 117.997 -0.113 1
1 23 . 10 1 1 A 12 12 GLU H H 474 9.227 7.676 1.551 1
1 24 . 10 1 1 A 12 12 GLU N N 474 119.961 117.116 2.845 1
1 25 . 10 1 1 A 13 13 GLU H H 475 9.132 8.812 0.320 1
1 26 . 10 1 1 A 13 13 GLU N N 475 123.238 124.677 -1.439 1
1 27 . 10 1 1 A 14 14 ASP H H 476 9.111 8.532 0.579 1
1 28 . 10 1 1 A 14 14 ASP N N 476 116.704 118.881 -2.177 1
1 29 . 10 1 1 A 15 15 ARG H H 477 7.383 8.115 -0.732 1
1 30 . 10 1 1 A 15 15 ARG N N 477 121.479 119.771 1.708 1
1 31 . 10 1 1 A 16 16 LYS H H 478 8.325 7.891 0.434 1
1 32 . 10 1 1 A 16 16 LYS N N 478 119.187 118.729 0.458 1
1 33 . 10 1 1 A 17 17 ARG H H 479 8.157 7.882 0.275 1
1 34 . 10 1 1 A 17 17 ARG N N 479 117.047 119.622 -2.575 1
1 35 . 10 1 1 A 18 18 TYR H H 480 7.934 8.628 -0.694 1
1 36 . 10 1 1 A 18 18 TYR N N 480 120.969 121.498 -0.529 1
1 37 . 10 1 1 A 19 19 LEU H H 481 8.556 8.785 -0.229 1
1 38 . 10 1 1 A 19 19 LEU N N 481 119.137 120.902 -1.765 1
1 39 . 10 1 1 A 20 20 MET H H 482 8.381 8.359 0.022 1
1 40 . 10 1 1 A 20 20 MET N N 482 117.261 119.286 -2.025 1
1 41 . 10 1 1 A 21 21 THR H H 483 7.991 7.803 0.188 1
1 42 . 10 1 1 A 21 21 THR N N 483 115.676 114.680 0.996 1
1 43 . 10 1 1 A 22 22 LEU H H 484 7.936 7.620 0.316 1
1 44 . 10 1 1 A 22 22 LEU N N 484 122.157 120.850 1.307 1
1 45 . 10 1 1 A 23 23 LEU H H 485 8.025 9.076 -1.051 1
1 46 . 10 1 1 A 23 23 LEU N N 485 118.525 118.599 -0.074 1
1 47 . 10 1 1 A 24 24 ASP H H 486 7.486 8.128 -0.642 1
1 48 . 10 1 1 A 24 24 ASP N N 486 117.162 118.991 -1.829 1
1 49 . 10 1 1 A 25 25 ASP H H 487 7.538 7.822 -0.284 1
1 50 . 10 1 1 A 25 25 ASP N N 487 118.593 119.570 -0.977 1
1 51 . 10 1 1 A 26 26 ILE H H 488 7.550 7.645 -0.095 1
1 52 . 10 1 1 A 26 26 ILE N N 488 121.728 120.437 1.291 1
1 53 . 10 1 1 A 27 27 LYS H H 489 9.443 8.105 1.338 1
1 54 . 10 1 1 A 27 27 LYS N N 489 127.933 121.240 6.693 1
1 55 . 10 1 1 A 28 28 GLY H H 490 8.763 8.366 0.397 1
1 56 . 10 1 1 A 28 28 GLY N N 490 112.504 106.304 6.200 1
1 57 . 10 1 1 A 29 29 ALA H H 491 7.932 8.824 -0.892 1
1 58 . 10 1 1 A 29 29 ALA N N 491 125.886 129.193 -3.307 1
1 59 . 10 1 1 A 30 30 ASN H H 492 8.375 8.224 0.151 1
1 60 . 10 1 1 A 30 30 ASN N N 492 118.503 116.718 1.785 1
1 61 . 10 1 1 A 31 31 ASP H H 493 8.901 8.095 0.806 1
1 62 . 10 1 1 A 31 31 ASP N N 493 123.117 118.260 4.857 1
1 63 . 10 1 1 A 32 32 LEU H H 494 8.239 8.059 0.180 1
1 64 . 10 1 1 A 32 32 LEU N N 494 122.294 120.512 1.782 1
1 65 . 10 1 1 A 33 33 ALA H H 495 8.018 8.262 -0.244 1
1 66 . 10 1 1 A 33 33 ALA N N 495 121.358 121.625 -0.267 1
1 67 . 10 1 1 A 34 34 LYS H H 496 7.974 8.002 -0.028 1
1 68 . 10 1 1 A 34 34 LYS N N 496 119.384 116.335 3.049 1
1 69 . 10 1 1 A 35 35 PHE H H 497 8.772 8.060 0.712 1
1 70 . 10 1 1 A 35 35 PHE N N 497 121.439 118.911 2.528 1
1 71 . 10 1 1 A 36 36 HIS H H 498 8.827 8.248 0.579 1
1 72 . 10 1 1 A 36 36 HIS N N 498 118.260 119.137 -0.877 1
1 73 . 10 1 1 A 37 37 GLN H H 499 8.144 8.283 -0.139 1
1 74 . 10 1 1 A 37 37 GLN N N 499 116.291 118.024 -1.733 1
1 75 . 10 1 1 A 38 38 MET H H 500 7.940 8.127 -0.187 1
1 76 . 10 1 1 A 38 38 MET N N 500 117.445 119.189 -1.744 1
1 77 . 10 1 1 A 39 39 LEU H H 501 8.866 7.816 1.050 1
1 78 . 10 1 1 A 39 39 LEU N N 501 120.987 119.947 1.040 1
1 79 . 10 1 1 A 40 40 VAL H H 502 8.196 7.854 0.342 1
1 80 . 10 1 1 A 40 40 VAL N N 502 116.383 118.638 -2.255 1
1 81 . 10 1 1 A 41 41 LYS H H 503 7.160 7.864 -0.704 1
1 82 . 10 1 1 A 41 41 LYS N N 503 118.718 121.030 -2.312 1
1 83 . 10 1 1 A 42 42 ILE H H 504 8.052 7.778 0.274 1
1 84 . 10 1 1 A 42 42 ILE N N 504 120.232 119.313 0.919 1
1 1 . 11 1 1 A 1 1 VAL H H 463 7.568 7.904 -0.336 1
1 2 . 11 1 1 A 1 1 VAL N N 463 124.990 121.464 3.526 1
1 3 . 11 1 1 A 2 2 ILE H H 464 8.230 8.179 0.051 1
1 4 . 11 1 1 A 2 2 ILE N N 464 120.553 118.794 1.759 1
1 5 . 11 1 1 A 3 3 ARG H H 465 8.608 8.025 0.583 1
1 6 . 11 1 1 A 3 3 ARG N N 465 118.677 121.728 -3.051 1
1 7 . 11 1 1 A 4 4 SER H H 466 7.857 7.922 -0.065 1
1 8 . 11 1 1 A 4 4 SER N N 466 114.311 114.059 0.252 1
1 9 . 11 1 1 A 5 5 ILE H H 467 8.335 7.765 0.570 1
1 10 . 11 1 1 A 5 5 ILE N N 467 124.384 121.366 3.018 1
1 11 . 11 1 1 A 6 6 ILE H H 468 8.204 8.116 0.088 1
1 12 . 11 1 1 A 6 6 ILE N N 468 118.479 118.502 -0.023 1
1 13 . 11 1 1 A 7 7 LYS H H 469 8.595 7.631 0.964 1
1 14 . 11 1 1 A 7 7 LYS N N 469 119.302 122.110 -2.808 1
1 15 . 11 1 1 A 8 8 SER H H 470 8.162 8.533 -0.371 1
1 16 . 11 1 1 A 8 8 SER N N 470 111.766 115.338 -3.572 1
1 17 . 11 1 1 A 9 9 SER H H 471 7.529 7.850 -0.321 1
1 18 . 11 1 1 A 9 9 SER N N 471 117.943 117.240 0.703 1
1 19 . 11 1 1 A 10 10 ARG H H 472 9.338 8.795 0.543 1
1 20 . 11 1 1 A 10 10 ARG N N 472 118.011 127.558 -9.547 1
1 21 . 11 1 1 A 11 11 LEU H H 473 6.936 8.884 -1.948 1
1 22 . 11 1 1 A 11 11 LEU N N 473 117.884 127.579 -9.695 1
1 23 . 11 1 1 A 12 12 GLU H H 474 9.227 7.854 1.373 1
1 24 . 11 1 1 A 12 12 GLU N N 474 119.961 115.188 4.773 1
1 25 . 11 1 1 A 13 13 GLU H H 475 9.132 9.101 0.031 1
1 26 . 11 1 1 A 13 13 GLU N N 475 123.238 123.407 -0.169 1
1 27 . 11 1 1 A 14 14 ASP H H 476 9.111 8.226 0.885 1
1 28 . 11 1 1 A 14 14 ASP N N 476 116.704 119.836 -3.132 1
1 29 . 11 1 1 A 15 15 ARG H H 477 7.383 7.635 -0.252 1
1 30 . 11 1 1 A 15 15 ARG N N 477 121.479 119.313 2.166 1
1 31 . 11 1 1 A 16 16 LYS H H 478 8.325 7.658 0.667 1
1 32 . 11 1 1 A 16 16 LYS N N 478 119.187 117.708 1.479 1
1 33 . 11 1 1 A 17 17 ARG H H 479 8.157 7.835 0.322 1
1 34 . 11 1 1 A 17 17 ARG N N 479 117.047 119.320 -2.273 1
1 35 . 11 1 1 A 18 18 TYR H H 480 7.934 8.505 -0.571 1
1 36 . 11 1 1 A 18 18 TYR N N 480 120.969 122.050 -1.081 1
1 37 . 11 1 1 A 19 19 LEU H H 481 8.556 8.941 -0.385 1
1 38 . 11 1 1 A 19 19 LEU N N 481 119.137 119.477 -0.340 1
1 39 . 11 1 1 A 20 20 MET H H 482 8.381 7.813 0.568 1
1 40 . 11 1 1 A 20 20 MET N N 482 117.261 119.648 -2.387 1
1 41 . 11 1 1 A 21 21 THR H H 483 7.991 7.760 0.231 1
1 42 . 11 1 1 A 21 21 THR N N 483 115.676 114.503 1.173 1
1 43 . 11 1 1 A 22 22 LEU H H 484 7.936 7.687 0.249 1
1 44 . 11 1 1 A 22 22 LEU N N 484 122.157 120.648 1.509 1
1 45 . 11 1 1 A 23 23 LEU H H 485 8.025 8.595 -0.570 1
1 46 . 11 1 1 A 23 23 LEU N N 485 118.525 116.453 2.072 1
1 47 . 11 1 1 A 24 24 ASP H H 486 7.486 7.972 -0.486 1
1 48 . 11 1 1 A 24 24 ASP N N 486 117.162 119.031 -1.869 1
1 49 . 11 1 1 A 25 25 ASP H H 487 7.538 7.790 -0.252 1
1 50 . 11 1 1 A 25 25 ASP N N 487 118.593 118.058 0.535 1
1 51 . 11 1 1 A 26 26 ILE H H 488 7.550 7.510 0.040 1
1 52 . 11 1 1 A 26 26 ILE N N 488 121.728 120.365 1.363 1
1 53 . 11 1 1 A 27 27 LYS H H 489 9.443 7.272 2.171 1
1 54 . 11 1 1 A 27 27 LYS N N 489 127.933 118.420 9.513 1
1 55 . 11 1 1 A 28 28 GLY H H 490 8.763 8.431 0.332 1
1 56 . 11 1 1 A 28 28 GLY N N 490 112.504 106.852 5.652 1
1 57 . 11 1 1 A 29 29 ALA H H 491 7.932 8.929 -0.997 1
1 58 . 11 1 1 A 29 29 ALA N N 491 125.886 127.895 -2.009 1
1 59 . 11 1 1 A 30 30 ASN H H 492 8.375 8.398 -0.023 1
1 60 . 11 1 1 A 30 30 ASN N N 492 118.503 117.166 1.337 1
1 61 . 11 1 1 A 31 31 ASP H H 493 8.901 8.154 0.747 1
1 62 . 11 1 1 A 31 31 ASP N N 493 123.117 119.566 3.551 1
1 63 . 11 1 1 A 32 32 LEU H H 494 8.239 8.053 0.186 1
1 64 . 11 1 1 A 32 32 LEU N N 494 122.294 121.213 1.081 1
1 65 . 11 1 1 A 33 33 ALA H H 495 8.018 8.567 -0.549 1
1 66 . 11 1 1 A 33 33 ALA N N 495 121.358 120.407 0.951 1
1 67 . 11 1 1 A 34 34 LYS H H 496 7.974 7.930 0.044 1
1 68 . 11 1 1 A 34 34 LYS N N 496 119.384 118.948 0.436 1
1 69 . 11 1 1 A 35 35 PHE H H 497 8.772 8.753 0.019 1
1 70 . 11 1 1 A 35 35 PHE N N 497 121.439 118.152 3.287 1
1 71 . 11 1 1 A 36 36 HIS H H 498 8.827 8.184 0.643 1
1 72 . 11 1 1 A 36 36 HIS N N 498 118.260 119.424 -1.164 1
1 73 . 11 1 1 A 37 37 GLN H H 499 8.144 8.343 -0.199 1
1 74 . 11 1 1 A 37 37 GLN N N 499 116.291 117.265 -0.974 1
1 75 . 11 1 1 A 38 38 MET H H 500 7.940 7.940 0.000 1
1 76 . 11 1 1 A 38 38 MET N N 500 117.445 119.992 -2.547 1
1 77 . 11 1 1 A 39 39 LEU H H 501 8.866 7.943 0.923 1
1 78 . 11 1 1 A 39 39 LEU N N 501 120.987 120.272 0.715 1
1 79 . 11 1 1 A 40 40 VAL H H 502 8.196 7.991 0.205 1
1 80 . 11 1 1 A 40 40 VAL N N 502 116.383 119.128 -2.745 1
1 81 . 11 1 1 A 41 41 LYS H H 503 7.160 7.769 -0.609 1
1 82 . 11 1 1 A 41 41 LYS N N 503 118.718 118.720 -0.002 1
1 83 . 11 1 1 A 42 42 ILE H H 504 8.052 8.066 -0.014 1
1 84 . 11 1 1 A 42 42 ILE N N 504 120.232 120.332 -0.100 1
1 1 . 12 1 1 A 1 1 VAL H H 463 7.568 7.930 -0.362 1
1 2 . 12 1 1 A 1 1 VAL N N 463 124.990 121.367 3.623 1
1 3 . 12 1 1 A 2 2 ILE H H 464 8.230 8.262 -0.032 1
1 4 . 12 1 1 A 2 2 ILE N N 464 120.553 120.110 0.443 1
1 5 . 12 1 1 A 3 3 ARG H H 465 8.608 7.959 0.649 1
1 6 . 12 1 1 A 3 3 ARG N N 465 118.677 122.483 -3.806 1
1 7 . 12 1 1 A 4 4 SER H H 466 7.857 8.009 -0.152 1
1 8 . 12 1 1 A 4 4 SER N N 466 114.311 113.941 0.370 1
1 9 . 12 1 1 A 5 5 ILE H H 467 8.335 7.862 0.473 1
1 10 . 12 1 1 A 5 5 ILE N N 467 124.384 121.710 2.674 1
1 11 . 12 1 1 A 6 6 ILE H H 468 8.204 7.886 0.318 1
1 12 . 12 1 1 A 6 6 ILE N N 468 118.479 117.798 0.681 1
1 13 . 12 1 1 A 7 7 LYS H H 469 8.595 7.845 0.750 1
1 14 . 12 1 1 A 7 7 LYS N N 469 119.302 122.777 -3.475 1
1 15 . 12 1 1 A 8 8 SER H H 470 8.162 7.737 0.425 1
1 16 . 12 1 1 A 8 8 SER N N 470 111.766 115.801 -4.035 1
1 17 . 12 1 1 A 9 9 SER H H 471 7.529 7.735 -0.206 1
1 18 . 12 1 1 A 9 9 SER N N 471 117.943 117.064 0.879 1
1 19 . 12 1 1 A 10 10 ARG H H 472 9.338 8.253 1.085 1
1 20 . 12 1 1 A 10 10 ARG N N 472 118.011 127.170 -9.159 1
1 21 . 12 1 1 A 11 11 LEU H H 473 6.936 7.818 -0.882 1
1 22 . 12 1 1 A 11 11 LEU N N 473 117.884 117.600 0.284 1
1 23 . 12 1 1 A 12 12 GLU H H 474 9.227 7.627 1.600 1
1 24 . 12 1 1 A 12 12 GLU N N 474 119.961 117.266 2.695 1
1 25 . 12 1 1 A 13 13 GLU H H 475 9.132 9.033 0.099 1
1 26 . 12 1 1 A 13 13 GLU N N 475 123.238 123.605 -0.367 1
1 27 . 12 1 1 A 14 14 ASP H H 476 9.111 8.318 0.793 1
1 28 . 12 1 1 A 14 14 ASP N N 476 116.704 120.501 -3.797 1
1 29 . 12 1 1 A 15 15 ARG H H 477 7.383 7.938 -0.555 1
1 30 . 12 1 1 A 15 15 ARG N N 477 121.479 120.296 1.183 1
1 31 . 12 1 1 A 16 16 LYS H H 478 8.325 7.949 0.376 1
1 32 . 12 1 1 A 16 16 LYS N N 478 119.187 118.589 0.598 1
1 33 . 12 1 1 A 17 17 ARG H H 479 8.157 7.826 0.331 1
1 34 . 12 1 1 A 17 17 ARG N N 479 117.047 119.833 -2.786 1
1 35 . 12 1 1 A 18 18 TYR H H 480 7.934 8.707 -0.773 1
1 36 . 12 1 1 A 18 18 TYR N N 480 120.969 120.860 0.109 1
1 37 . 12 1 1 A 19 19 LEU H H 481 8.556 8.709 -0.153 1
1 38 . 12 1 1 A 19 19 LEU N N 481 119.137 120.858 -1.721 1
1 39 . 12 1 1 A 20 20 MET H H 482 8.381 7.998 0.383 1
1 40 . 12 1 1 A 20 20 MET N N 482 117.261 119.322 -2.061 1
1 41 . 12 1 1 A 21 21 THR H H 483 7.991 8.089 -0.098 1
1 42 . 12 1 1 A 21 21 THR N N 483 115.676 114.492 1.184 1
1 43 . 12 1 1 A 22 22 LEU H H 484 7.936 7.565 0.371 1
1 44 . 12 1 1 A 22 22 LEU N N 484 122.157 117.350 4.807 1
1 45 . 12 1 1 A 23 23 LEU H H 485 8.025 8.444 -0.419 1
1 46 . 12 1 1 A 23 23 LEU N N 485 118.525 117.877 0.648 1
1 47 . 12 1 1 A 24 24 ASP H H 486 7.486 8.084 -0.598 1
1 48 . 12 1 1 A 24 24 ASP N N 486 117.162 119.459 -2.297 1
1 49 . 12 1 1 A 25 25 ASP H H 487 7.538 7.875 -0.337 1
1 50 . 12 1 1 A 25 25 ASP N N 487 118.593 117.857 0.736 1
1 51 . 12 1 1 A 26 26 ILE H H 488 7.550 7.464 0.086 1
1 52 . 12 1 1 A 26 26 ILE N N 488 121.728 119.524 2.204 1
1 53 . 12 1 1 A 27 27 LYS H H 489 9.443 7.744 1.699 1
1 54 . 12 1 1 A 27 27 LYS N N 489 127.933 118.709 9.224 1
1 55 . 12 1 1 A 28 28 GLY H H 490 8.763 8.043 0.720 1
1 56 . 12 1 1 A 28 28 GLY N N 490 112.504 107.316 5.188 1
1 57 . 12 1 1 A 29 29 ALA H H 491 7.932 9.115 -1.183 1
1 58 . 12 1 1 A 29 29 ALA N N 491 125.886 128.211 -2.325 1
1 59 . 12 1 1 A 30 30 ASN H H 492 8.375 8.188 0.187 1
1 60 . 12 1 1 A 30 30 ASN N N 492 118.503 117.218 1.285 1
1 61 . 12 1 1 A 31 31 ASP H H 493 8.901 8.189 0.712 1
1 62 . 12 1 1 A 31 31 ASP N N 493 123.117 120.324 2.793 1
1 63 . 12 1 1 A 32 32 LEU H H 494 8.239 8.440 -0.201 1
1 64 . 12 1 1 A 32 32 LEU N N 494 122.294 121.344 0.950 1
1 65 . 12 1 1 A 33 33 ALA H H 495 8.018 8.301 -0.283 1
1 66 . 12 1 1 A 33 33 ALA N N 495 121.358 121.670 -0.312 1
1 67 . 12 1 1 A 34 34 LYS H H 496 7.974 7.986 -0.012 1
1 68 . 12 1 1 A 34 34 LYS N N 496 119.384 118.910 0.474 1
1 69 . 12 1 1 A 35 35 PHE H H 497 8.772 8.759 0.013 1
1 70 . 12 1 1 A 35 35 PHE N N 497 121.439 119.056 2.383 1
1 71 . 12 1 1 A 36 36 HIS H H 498 8.827 8.317 0.510 1
1 72 . 12 1 1 A 36 36 HIS N N 498 118.260 119.139 -0.879 1
1 73 . 12 1 1 A 37 37 GLN H H 499 8.144 8.491 -0.347 1
1 74 . 12 1 1 A 37 37 GLN N N 499 116.291 117.677 -1.386 1
1 75 . 12 1 1 A 38 38 MET H H 500 7.940 8.036 -0.096 1
1 76 . 12 1 1 A 38 38 MET N N 500 117.445 119.908 -2.463 1
1 77 . 12 1 1 A 39 39 LEU H H 501 8.866 7.726 1.140 1
1 78 . 12 1 1 A 39 39 LEU N N 501 120.987 118.216 2.771 1
1 79 . 12 1 1 A 40 40 VAL H H 502 8.196 7.878 0.318 1
1 80 . 12 1 1 A 40 40 VAL N N 502 116.383 119.293 -2.910 1
1 81 . 12 1 1 A 41 41 LYS H H 503 7.160 8.252 -1.092 1
1 82 . 12 1 1 A 41 41 LYS N N 503 118.718 118.714 0.004 1
1 83 . 12 1 1 A 42 42 ILE H H 504 8.052 7.676 0.376 1
1 84 . 12 1 1 A 42 42 ILE N N 504 120.232 118.929 1.303 1
1 1 . 13 1 1 A 1 1 VAL H H 463 7.568 8.109 -0.541 1
1 2 . 13 1 1 A 1 1 VAL N N 463 124.990 122.570 2.420 1
1 3 . 13 1 1 A 2 2 ILE H H 464 8.230 8.175 0.055 1
1 4 . 13 1 1 A 2 2 ILE N N 464 120.553 120.529 0.024 1
1 5 . 13 1 1 A 3 3 ARG H H 465 8.608 7.854 0.754 1
1 6 . 13 1 1 A 3 3 ARG N N 465 118.677 122.268 -3.591 1
1 7 . 13 1 1 A 4 4 SER H H 466 7.857 7.590 0.267 1
1 8 . 13 1 1 A 4 4 SER N N 466 114.311 114.031 0.280 1
1 9 . 13 1 1 A 5 5 ILE H H 467 8.335 8.101 0.234 1
1 10 . 13 1 1 A 5 5 ILE N N 467 124.384 121.191 3.193 1
1 11 . 13 1 1 A 6 6 ILE H H 468 8.204 7.991 0.213 1
1 12 . 13 1 1 A 6 6 ILE N N 468 118.479 117.784 0.695 1
1 13 . 13 1 1 A 7 7 LYS H H 469 8.595 7.711 0.884 1
1 14 . 13 1 1 A 7 7 LYS N N 469 119.302 121.734 -2.432 1
1 15 . 13 1 1 A 8 8 SER H H 470 8.162 8.138 0.024 1
1 16 . 13 1 1 A 8 8 SER N N 470 111.766 115.806 -4.040 1
1 17 . 13 1 1 A 9 9 SER H H 471 7.529 7.834 -0.305 1
1 18 . 13 1 1 A 9 9 SER N N 471 117.943 114.148 3.795 1
1 19 . 13 1 1 A 10 10 ARG H H 472 9.338 8.243 1.095 1
1 20 . 13 1 1 A 10 10 ARG N N 472 118.011 121.128 -3.117 1
1 21 . 13 1 1 A 11 11 LEU H H 473 6.936 7.950 -1.014 1
1 22 . 13 1 1 A 11 11 LEU N N 473 117.884 118.523 -0.639 1
1 23 . 13 1 1 A 12 12 GLU H H 474 9.227 7.666 1.561 1
1 24 . 13 1 1 A 12 12 GLU N N 474 119.961 118.711 1.250 1
1 25 . 13 1 1 A 13 13 GLU H H 475 9.132 8.156 0.976 1
1 26 . 13 1 1 A 13 13 GLU N N 475 123.238 123.933 -0.695 1
1 27 . 13 1 1 A 14 14 ASP H H 476 9.111 8.155 0.956 1
1 28 . 13 1 1 A 14 14 ASP N N 476 116.704 119.523 -2.819 1
1 29 . 13 1 1 A 15 15 ARG H H 477 7.383 8.191 -0.808 1
1 30 . 13 1 1 A 15 15 ARG N N 477 121.479 119.633 1.846 1
1 31 . 13 1 1 A 16 16 LYS H H 478 8.325 8.465 -0.140 1
1 32 . 13 1 1 A 16 16 LYS N N 478 119.187 120.160 -0.973 1
1 33 . 13 1 1 A 17 17 ARG H H 479 8.157 8.197 -0.040 1
1 34 . 13 1 1 A 17 17 ARG N N 479 117.047 118.900 -1.853 1
1 35 . 13 1 1 A 18 18 TYR H H 480 7.934 8.522 -0.588 1
1 36 . 13 1 1 A 18 18 TYR N N 480 120.969 121.479 -0.510 1
1 37 . 13 1 1 A 19 19 LEU H H 481 8.556 8.815 -0.259 1
1 38 . 13 1 1 A 19 19 LEU N N 481 119.137 120.723 -1.586 1
1 39 . 13 1 1 A 20 20 MET H H 482 8.381 8.133 0.248 1
1 40 . 13 1 1 A 20 20 MET N N 482 117.261 119.564 -2.303 1
1 41 . 13 1 1 A 21 21 THR H H 483 7.991 8.001 -0.010 1
1 42 . 13 1 1 A 21 21 THR N N 483 115.676 114.410 1.266 1
1 43 . 13 1 1 A 22 22 LEU H H 484 7.936 7.638 0.298 1
1 44 . 13 1 1 A 22 22 LEU N N 484 122.157 120.340 1.817 1
1 45 . 13 1 1 A 23 23 LEU H H 485 8.025 8.680 -0.655 1
1 46 . 13 1 1 A 23 23 LEU N N 485 118.525 120.360 -1.835 1
1 47 . 13 1 1 A 24 24 ASP H H 486 7.486 8.085 -0.599 1
1 48 . 13 1 1 A 24 24 ASP N N 486 117.162 118.066 -0.904 1
1 49 . 13 1 1 A 25 25 ASP H H 487 7.538 8.033 -0.495 1
1 50 . 13 1 1 A 25 25 ASP N N 487 118.593 118.263 0.330 1
1 51 . 13 1 1 A 26 26 ILE H H 488 7.550 7.140 0.410 1
1 52 . 13 1 1 A 26 26 ILE N N 488 121.728 122.001 -0.273 1
1 53 . 13 1 1 A 27 27 LYS H H 489 9.443 8.637 0.806 1
1 54 . 13 1 1 A 27 27 LYS N N 489 127.933 127.631 0.302 1
1 55 . 13 1 1 A 28 28 GLY H H 490 8.763 8.492 0.271 1
1 56 . 13 1 1 A 28 28 GLY N N 490 112.504 111.685 0.819 1
1 57 . 13 1 1 A 29 29 ALA H H 491 7.932 8.852 -0.920 1
1 58 . 13 1 1 A 29 29 ALA N N 491 125.886 126.548 -0.662 1
1 59 . 13 1 1 A 30 30 ASN H H 492 8.375 8.043 0.332 1
1 60 . 13 1 1 A 30 30 ASN N N 492 118.503 116.576 1.927 1
1 61 . 13 1 1 A 31 31 ASP H H 493 8.901 8.181 0.720 1
1 62 . 13 1 1 A 31 31 ASP N N 493 123.117 118.779 4.338 1
1 63 . 13 1 1 A 32 32 LEU H H 494 8.239 8.061 0.178 1
1 64 . 13 1 1 A 32 32 LEU N N 494 122.294 117.605 4.689 1
1 65 . 13 1 1 A 33 33 ALA H H 495 8.018 7.832 0.186 1
1 66 . 13 1 1 A 33 33 ALA N N 495 121.358 122.183 -0.825 1
1 67 . 13 1 1 A 34 34 LYS H H 496 7.974 7.488 0.486 1
1 68 . 13 1 1 A 34 34 LYS N N 496 119.384 118.487 0.897 1
1 69 . 13 1 1 A 35 35 PHE H H 497 8.772 8.087 0.685 1
1 70 . 13 1 1 A 35 35 PHE N N 497 121.439 119.026 2.413 1
1 71 . 13 1 1 A 36 36 HIS H H 498 8.827 8.309 0.518 1
1 72 . 13 1 1 A 36 36 HIS N N 498 118.260 119.209 -0.949 1
1 73 . 13 1 1 A 37 37 GLN H H 499 8.144 8.409 -0.265 1
1 74 . 13 1 1 A 37 37 GLN N N 499 116.291 117.349 -1.058 1
1 75 . 13 1 1 A 38 38 MET H H 500 7.940 8.155 -0.215 1
1 76 . 13 1 1 A 38 38 MET N N 500 117.445 119.959 -2.514 1
1 77 . 13 1 1 A 39 39 LEU H H 501 8.866 7.972 0.894 1
1 78 . 13 1 1 A 39 39 LEU N N 501 120.987 120.109 0.878 1
1 79 . 13 1 1 A 40 40 VAL H H 502 8.196 7.923 0.273 1
1 80 . 13 1 1 A 40 40 VAL N N 502 116.383 119.117 -2.734 1
1 81 . 13 1 1 A 41 41 LYS H H 503 7.160 8.141 -0.981 1
1 82 . 13 1 1 A 41 41 LYS N N 503 118.718 119.181 -0.463 1
1 83 . 13 1 1 A 42 42 ILE H H 504 8.052 7.724 0.328 1
1 84 . 13 1 1 A 42 42 ILE N N 504 120.232 120.383 -0.151 1
1 1 . 14 1 1 A 1 1 VAL H H 463 7.568 8.050 -0.482 1
1 2 . 14 1 1 A 1 1 VAL N N 463 124.990 121.344 3.646 1
1 3 . 14 1 1 A 2 2 ILE H H 464 8.230 8.261 -0.031 1
1 4 . 14 1 1 A 2 2 ILE N N 464 120.553 120.351 0.202 1
1 5 . 14 1 1 A 3 3 ARG H H 465 8.608 8.120 0.488 1
1 6 . 14 1 1 A 3 3 ARG N N 465 118.677 122.296 -3.619 1
1 7 . 14 1 1 A 4 4 SER H H 466 7.857 7.884 -0.027 1
1 8 . 14 1 1 A 4 4 SER N N 466 114.311 113.990 0.321 1
1 9 . 14 1 1 A 5 5 ILE H H 467 8.335 7.926 0.409 1
1 10 . 14 1 1 A 5 5 ILE N N 467 124.384 120.809 3.575 1
1 11 . 14 1 1 A 6 6 ILE H H 468 8.204 8.127 0.077 1
1 12 . 14 1 1 A 6 6 ILE N N 468 118.479 117.946 0.533 1
1 13 . 14 1 1 A 7 7 LYS H H 469 8.595 7.705 0.890 1
1 14 . 14 1 1 A 7 7 LYS N N 469 119.302 121.707 -2.405 1
1 15 . 14 1 1 A 8 8 SER H H 470 8.162 7.529 0.633 1
1 16 . 14 1 1 A 8 8 SER N N 470 111.766 113.267 -1.501 1
1 17 . 14 1 1 A 9 9 SER H H 471 7.529 7.605 -0.076 1
1 18 . 14 1 1 A 9 9 SER N N 471 117.943 118.757 -0.814 1
1 19 . 14 1 1 A 10 10 ARG H H 472 9.338 8.853 0.485 1
1 20 . 14 1 1 A 10 10 ARG N N 472 118.011 128.119 -10.108 1
1 21 . 14 1 1 A 11 11 LEU H H 473 6.936 8.178 -1.242 1
1 22 . 14 1 1 A 11 11 LEU N N 473 117.884 122.735 -4.851 1
1 23 . 14 1 1 A 12 12 GLU H H 474 9.227 8.013 1.214 1
1 24 . 14 1 1 A 12 12 GLU N N 474 119.961 117.615 2.346 1
1 25 . 14 1 1 A 13 13 GLU H H 475 9.132 8.820 0.312 1
1 26 . 14 1 1 A 13 13 GLU N N 475 123.238 124.809 -1.571 1
1 27 . 14 1 1 A 14 14 ASP H H 476 9.111 8.157 0.954 1
1 28 . 14 1 1 A 14 14 ASP N N 476 116.704 120.558 -3.854 1
1 29 . 14 1 1 A 15 15 ARG H H 477 7.383 8.050 -0.667 1
1 30 . 14 1 1 A 15 15 ARG N N 477 121.479 120.207 1.272 1
1 31 . 14 1 1 A 16 16 LYS H H 478 8.325 8.055 0.270 1
1 32 . 14 1 1 A 16 16 LYS N N 478 119.187 119.920 -0.733 1
1 33 . 14 1 1 A 17 17 ARG H H 479 8.157 7.945 0.212 1
1 34 . 14 1 1 A 17 17 ARG N N 479 117.047 119.218 -2.171 1
1 35 . 14 1 1 A 18 18 TYR H H 480 7.934 8.694 -0.760 1
1 36 . 14 1 1 A 18 18 TYR N N 480 120.969 121.371 -0.402 1
1 37 . 14 1 1 A 19 19 LEU H H 481 8.556 9.071 -0.515 1
1 38 . 14 1 1 A 19 19 LEU N N 481 119.137 119.597 -0.460 1
1 39 . 14 1 1 A 20 20 MET H H 482 8.381 7.824 0.557 1
1 40 . 14 1 1 A 20 20 MET N N 482 117.261 119.322 -2.061 1
1 41 . 14 1 1 A 21 21 THR H H 483 7.991 7.965 0.026 1
1 42 . 14 1 1 A 21 21 THR N N 483 115.676 114.313 1.363 1
1 43 . 14 1 1 A 22 22 LEU H H 484 7.936 7.804 0.132 1
1 44 . 14 1 1 A 22 22 LEU N N 484 122.157 120.909 1.248 1
1 45 . 14 1 1 A 23 23 LEU H H 485 8.025 8.596 -0.571 1
1 46 . 14 1 1 A 23 23 LEU N N 485 118.525 116.782 1.743 1
1 47 . 14 1 1 A 24 24 ASP H H 486 7.486 7.723 -0.237 1
1 48 . 14 1 1 A 24 24 ASP N N 486 117.162 117.155 0.007 1
1 49 . 14 1 1 A 25 25 ASP H H 487 7.538 8.672 -1.134 1
1 50 . 14 1 1 A 25 25 ASP N N 487 118.593 121.029 -2.436 1
1 51 . 14 1 1 A 26 26 ILE H H 488 7.550 7.324 0.226 1
1 52 . 14 1 1 A 26 26 ILE N N 488 121.728 121.855 -0.127 1
1 53 . 14 1 1 A 27 27 LYS H H 489 9.443 8.680 0.763 1
1 54 . 14 1 1 A 27 27 LYS N N 489 127.933 128.740 -0.807 1
1 55 . 14 1 1 A 28 28 GLY H H 490 8.763 7.951 0.812 1
1 56 . 14 1 1 A 28 28 GLY N N 490 112.504 112.355 0.149 1
1 57 . 14 1 1 A 29 29 ALA H H 491 7.932 9.211 -1.279 1
1 58 . 14 1 1 A 29 29 ALA N N 491 125.886 127.896 -2.010 1
1 59 . 14 1 1 A 30 30 ASN H H 492 8.375 8.548 -0.173 1
1 60 . 14 1 1 A 30 30 ASN N N 492 118.503 115.792 2.711 1
1 61 . 14 1 1 A 31 31 ASP H H 493 8.901 8.059 0.842 1
1 62 . 14 1 1 A 31 31 ASP N N 493 123.117 120.713 2.404 1
1 63 . 14 1 1 A 32 32 LEU H H 494 8.239 8.199 0.040 1
1 64 . 14 1 1 A 32 32 LEU N N 494 122.294 119.680 2.614 1
1 65 . 14 1 1 A 33 33 ALA H H 495 8.018 8.566 -0.548 1
1 66 . 14 1 1 A 33 33 ALA N N 495 121.358 121.727 -0.369 1
1 67 . 14 1 1 A 34 34 LYS H H 496 7.974 7.861 0.113 1
1 68 . 14 1 1 A 34 34 LYS N N 496 119.384 118.902 0.482 1
1 69 . 14 1 1 A 35 35 PHE H H 497 8.772 8.561 0.211 1
1 70 . 14 1 1 A 35 35 PHE N N 497 121.439 119.075 2.364 1
1 71 . 14 1 1 A 36 36 HIS H H 498 8.827 8.324 0.503 1
1 72 . 14 1 1 A 36 36 HIS N N 498 118.260 119.139 -0.879 1
1 73 . 14 1 1 A 37 37 GLN H H 499 8.144 8.557 -0.413 1
1 74 . 14 1 1 A 37 37 GLN N N 499 116.291 117.302 -1.011 1
1 75 . 14 1 1 A 38 38 MET H H 500 7.940 8.197 -0.257 1
1 76 . 14 1 1 A 38 38 MET N N 500 117.445 119.926 -2.481 1
1 77 . 14 1 1 A 39 39 LEU H H 501 8.866 7.774 1.092 1
1 78 . 14 1 1 A 39 39 LEU N N 501 120.987 117.356 3.631 1
1 79 . 14 1 1 A 40 40 VAL H H 502 8.196 7.768 0.428 1
1 80 . 14 1 1 A 40 40 VAL N N 502 116.383 119.147 -2.764 1
1 81 . 14 1 1 A 41 41 LYS H H 503 7.160 7.905 -0.745 1
1 82 . 14 1 1 A 41 41 LYS N N 503 118.718 120.677 -1.959 1
1 83 . 14 1 1 A 42 42 ILE H H 504 8.052 7.770 0.282 1
1 84 . 14 1 1 A 42 42 ILE N N 504 120.232 119.517 0.715 1
1 1 . 15 1 1 A 1 1 VAL H H 463 7.568 8.004 -0.436 1
1 2 . 15 1 1 A 1 1 VAL N N 463 124.990 122.113 2.877 1
1 3 . 15 1 1 A 2 2 ILE H H 464 8.230 8.122 0.108 1
1 4 . 15 1 1 A 2 2 ILE N N 464 120.553 118.849 1.704 1
1 5 . 15 1 1 A 3 3 ARG H H 465 8.608 8.181 0.427 1
1 6 . 15 1 1 A 3 3 ARG N N 465 118.677 121.257 -2.580 1
1 7 . 15 1 1 A 4 4 SER H H 466 7.857 8.061 -0.204 1
1 8 . 15 1 1 A 4 4 SER N N 466 114.311 116.683 -2.372 1
1 9 . 15 1 1 A 5 5 ILE H H 467 8.335 7.839 0.496 1
1 10 . 15 1 1 A 5 5 ILE N N 467 124.384 120.585 3.799 1
1 11 . 15 1 1 A 6 6 ILE H H 468 8.204 8.007 0.197 1
1 12 . 15 1 1 A 6 6 ILE N N 468 118.479 117.986 0.493 1
1 13 . 15 1 1 A 7 7 LYS H H 469 8.595 7.756 0.839 1
1 14 . 15 1 1 A 7 7 LYS N N 469 119.302 121.694 -2.392 1
1 15 . 15 1 1 A 8 8 SER H H 470 8.162 7.568 0.594 1
1 16 . 15 1 1 A 8 8 SER N N 470 111.766 114.116 -2.350 1
1 17 . 15 1 1 A 9 9 SER H H 471 7.529 7.554 -0.025 1
1 18 . 15 1 1 A 9 9 SER N N 471 117.943 114.130 3.813 1
1 19 . 15 1 1 A 10 10 ARG H H 472 9.338 8.639 0.699 1
1 20 . 15 1 1 A 10 10 ARG N N 472 118.011 126.208 -8.197 1
1 21 . 15 1 1 A 11 11 LEU H H 473 6.936 8.816 -1.880 1
1 22 . 15 1 1 A 11 11 LEU N N 473 117.884 127.350 -9.466 1
1 23 . 15 1 1 A 12 12 GLU H H 474 9.227 7.739 1.488 1
1 24 . 15 1 1 A 12 12 GLU N N 474 119.961 116.551 3.410 1
1 25 . 15 1 1 A 13 13 GLU H H 475 9.132 9.226 -0.094 1
1 26 . 15 1 1 A 13 13 GLU N N 475 123.238 123.256 -0.018 1
1 27 . 15 1 1 A 14 14 ASP H H 476 9.111 8.286 0.825 1
1 28 . 15 1 1 A 14 14 ASP N N 476 116.704 120.928 -4.224 1
1 29 . 15 1 1 A 15 15 ARG H H 477 7.383 8.077 -0.694 1
1 30 . 15 1 1 A 15 15 ARG N N 477 121.479 119.058 2.421 1
1 31 . 15 1 1 A 16 16 LYS H H 478 8.325 7.882 0.443 1
1 32 . 15 1 1 A 16 16 LYS N N 478 119.187 119.037 0.150 1
1 33 . 15 1 1 A 17 17 ARG H H 479 8.157 7.935 0.222 1
1 34 . 15 1 1 A 17 17 ARG N N 479 117.047 119.220 -2.173 1
1 35 . 15 1 1 A 18 18 TYR H H 480 7.934 8.815 -0.881 1
1 36 . 15 1 1 A 18 18 TYR N N 480 120.969 122.526 -1.557 1
1 37 . 15 1 1 A 19 19 LEU H H 481 8.556 8.990 -0.434 1
1 38 . 15 1 1 A 19 19 LEU N N 481 119.137 119.410 -0.273 1
1 39 . 15 1 1 A 20 20 MET H H 482 8.381 7.839 0.542 1
1 40 . 15 1 1 A 20 20 MET N N 482 117.261 119.299 -2.038 1
1 41 . 15 1 1 A 21 21 THR H H 483 7.991 7.894 0.097 1
1 42 . 15 1 1 A 21 21 THR N N 483 115.676 114.006 1.670 1
1 43 . 15 1 1 A 22 22 LEU H H 484 7.936 7.498 0.438 1
1 44 . 15 1 1 A 22 22 LEU N N 484 122.157 120.202 1.955 1
1 45 . 15 1 1 A 23 23 LEU H H 485 8.025 8.093 -0.068 1
1 46 . 15 1 1 A 23 23 LEU N N 485 118.525 119.858 -1.333 1
1 47 . 15 1 1 A 24 24 ASP H H 486 7.486 7.803 -0.317 1
1 48 . 15 1 1 A 24 24 ASP N N 486 117.162 118.468 -1.306 1
1 49 . 15 1 1 A 25 25 ASP H H 487 7.538 7.650 -0.112 1
1 50 . 15 1 1 A 25 25 ASP N N 487 118.593 118.793 -0.200 1
1 51 . 15 1 1 A 26 26 ILE H H 488 7.550 7.246 0.304 1
1 52 . 15 1 1 A 26 26 ILE N N 488 121.728 118.846 2.882 1
1 53 . 15 1 1 A 27 27 LYS H H 489 9.443 7.590 1.853 1
1 54 . 15 1 1 A 27 27 LYS N N 489 127.933 114.951 12.982 1
1 55 . 15 1 1 A 28 28 GLY H H 490 8.763 7.773 0.990 1
1 56 . 15 1 1 A 28 28 GLY N N 490 112.504 108.776 3.728 1
1 57 . 15 1 1 A 29 29 ALA H H 491 7.932 9.278 -1.346 1
1 58 . 15 1 1 A 29 29 ALA N N 491 125.886 124.499 1.387 1
1 59 . 15 1 1 A 30 30 ASN H H 492 8.375 8.235 0.140 1
1 60 . 15 1 1 A 30 30 ASN N N 492 118.503 117.006 1.497 1
1 61 . 15 1 1 A 31 31 ASP H H 493 8.901 8.157 0.744 1
1 62 . 15 1 1 A 31 31 ASP N N 493 123.117 119.471 3.646 1
1 63 . 15 1 1 A 32 32 LEU H H 494 8.239 8.080 0.159 1
1 64 . 15 1 1 A 32 32 LEU N N 494 122.294 120.850 1.444 1
1 65 . 15 1 1 A 33 33 ALA H H 495 8.018 8.675 -0.657 1
1 66 . 15 1 1 A 33 33 ALA N N 495 121.358 120.786 0.572 1
1 67 . 15 1 1 A 34 34 LYS H H 496 7.974 7.995 -0.021 1
1 68 . 15 1 1 A 34 34 LYS N N 496 119.384 119.004 0.380 1
1 69 . 15 1 1 A 35 35 PHE H H 497 8.772 8.585 0.187 1
1 70 . 15 1 1 A 35 35 PHE N N 497 121.439 118.003 3.436 1
1 71 . 15 1 1 A 36 36 HIS H H 498 8.827 8.282 0.545 1
1 72 . 15 1 1 A 36 36 HIS N N 498 118.260 119.422 -1.162 1
1 73 . 15 1 1 A 37 37 GLN H H 499 8.144 8.384 -0.240 1
1 74 . 15 1 1 A 37 37 GLN N N 499 116.291 118.365 -2.074 1
1 75 . 15 1 1 A 38 38 MET H H 500 7.940 8.177 -0.237 1
1 76 . 15 1 1 A 38 38 MET N N 500 117.445 117.549 -0.104 1
1 77 . 15 1 1 A 39 39 LEU H H 501 8.866 8.217 0.649 1
1 78 . 15 1 1 A 39 39 LEU N N 501 120.987 119.725 1.262 1
1 79 . 15 1 1 A 40 40 VAL H H 502 8.196 7.926 0.270 1
1 80 . 15 1 1 A 40 40 VAL N N 502 116.383 119.900 -3.517 1
1 81 . 15 1 1 A 41 41 LYS H H 503 7.160 7.921 -0.761 1
1 82 . 15 1 1 A 41 41 LYS N N 503 118.718 118.477 0.241 1
1 83 . 15 1 1 A 42 42 ILE H H 504 8.052 7.833 0.219 1
1 84 . 15 1 1 A 42 42 ILE N N 504 120.232 120.168 0.064 1
1 1 . 16 1 1 A 1 1 VAL H H 463 7.568 7.892 -0.324 1
1 2 . 16 1 1 A 1 1 VAL N N 463 124.990 121.442 3.548 1
1 3 . 16 1 1 A 2 2 ILE H H 464 8.230 8.224 0.006 1
1 4 . 16 1 1 A 2 2 ILE N N 464 120.553 120.554 -0.001 1
1 5 . 16 1 1 A 3 3 ARG H H 465 8.608 8.267 0.341 1
1 6 . 16 1 1 A 3 3 ARG N N 465 118.677 122.549 -3.872 1
1 7 . 16 1 1 A 4 4 SER H H 466 7.857 8.104 -0.247 1
1 8 . 16 1 1 A 4 4 SER N N 466 114.311 116.071 -1.760 1
1 9 . 16 1 1 A 5 5 ILE H H 467 8.335 8.270 0.065 1
1 10 . 16 1 1 A 5 5 ILE N N 467 124.384 121.171 3.213 1
1 11 . 16 1 1 A 6 6 ILE H H 468 8.204 8.062 0.142 1
1 12 . 16 1 1 A 6 6 ILE N N 468 118.479 118.060 0.419 1
1 13 . 16 1 1 A 7 7 LYS H H 469 8.595 7.539 1.056 1
1 14 . 16 1 1 A 7 7 LYS N N 469 119.302 121.914 -2.612 1
1 15 . 16 1 1 A 8 8 SER H H 470 8.162 7.659 0.503 1
1 16 . 16 1 1 A 8 8 SER N N 470 111.766 112.799 -1.033 1
1 17 . 16 1 1 A 9 9 SER H H 471 7.529 7.745 -0.216 1
1 18 . 16 1 1 A 9 9 SER N N 471 117.943 117.466 0.477 1
1 19 . 16 1 1 A 10 10 ARG H H 472 9.338 8.685 0.653 1
1 20 . 16 1 1 A 10 10 ARG N N 472 118.011 127.453 -9.442 1
1 21 . 16 1 1 A 11 11 LEU H H 473 6.936 7.977 -1.041 1
1 22 . 16 1 1 A 11 11 LEU N N 473 117.884 118.572 -0.688 1
1 23 . 16 1 1 A 12 12 GLU H H 474 9.227 8.969 0.258 1
1 24 . 16 1 1 A 12 12 GLU N N 474 119.961 118.466 1.495 1
1 25 . 16 1 1 A 13 13 GLU H H 475 9.132 8.097 1.035 1
1 26 . 16 1 1 A 13 13 GLU N N 475 123.238 124.453 -1.215 1
1 27 . 16 1 1 A 14 14 ASP H H 476 9.111 8.273 0.838 1
1 28 . 16 1 1 A 14 14 ASP N N 476 116.704 120.157 -3.453 1
1 29 . 16 1 1 A 15 15 ARG H H 477 7.383 7.994 -0.611 1
1 30 . 16 1 1 A 15 15 ARG N N 477 121.479 120.433 1.046 1
1 31 . 16 1 1 A 16 16 LYS H H 478 8.325 7.981 0.344 1
1 32 . 16 1 1 A 16 16 LYS N N 478 119.187 119.228 -0.041 1
1 33 . 16 1 1 A 17 17 ARG H H 479 8.157 7.836 0.321 1
1 34 . 16 1 1 A 17 17 ARG N N 479 117.047 119.145 -2.098 1
1 35 . 16 1 1 A 18 18 TYR H H 480 7.934 8.491 -0.557 1
1 36 . 16 1 1 A 18 18 TYR N N 480 120.969 121.163 -0.194 1
1 37 . 16 1 1 A 19 19 LEU H H 481 8.556 8.930 -0.374 1
1 38 . 16 1 1 A 19 19 LEU N N 481 119.137 119.341 -0.204 1
1 39 . 16 1 1 A 20 20 MET H H 482 8.381 7.888 0.493 1
1 40 . 16 1 1 A 20 20 MET N N 482 117.261 118.995 -1.734 1
1 41 . 16 1 1 A 21 21 THR H H 483 7.991 7.729 0.262 1
1 42 . 16 1 1 A 21 21 THR N N 483 115.676 114.528 1.148 1
1 43 . 16 1 1 A 22 22 LEU H H 484 7.936 7.654 0.282 1
1 44 . 16 1 1 A 22 22 LEU N N 484 122.157 121.054 1.103 1
1 45 . 16 1 1 A 23 23 LEU H H 485 8.025 8.784 -0.759 1
1 46 . 16 1 1 A 23 23 LEU N N 485 118.525 117.788 0.737 1
1 47 . 16 1 1 A 24 24 ASP H H 486 7.486 8.587 -1.101 1
1 48 . 16 1 1 A 24 24 ASP N N 486 117.162 119.408 -2.246 1
1 49 . 16 1 1 A 25 25 ASP H H 487 7.538 7.696 -0.158 1
1 50 . 16 1 1 A 25 25 ASP N N 487 118.593 116.716 1.877 1
1 51 . 16 1 1 A 26 26 ILE H H 488 7.550 7.837 -0.287 1
1 52 . 16 1 1 A 26 26 ILE N N 488 121.728 120.299 1.429 1
1 53 . 16 1 1 A 27 27 LYS H H 489 9.443 8.089 1.354 1
1 54 . 16 1 1 A 27 27 LYS N N 489 127.933 121.636 6.297 1
1 55 . 16 1 1 A 28 28 GLY H H 490 8.763 8.533 0.230 1
1 56 . 16 1 1 A 28 28 GLY N N 490 112.504 107.364 5.140 1
1 57 . 16 1 1 A 29 29 ALA H H 491 7.932 8.885 -0.953 1
1 58 . 16 1 1 A 29 29 ALA N N 491 125.886 127.437 -1.551 1
1 59 . 16 1 1 A 30 30 ASN H H 492 8.375 8.218 0.157 1
1 60 . 16 1 1 A 30 30 ASN N N 492 118.503 116.769 1.734 1
1 61 . 16 1 1 A 31 31 ASP H H 493 8.901 7.843 1.058 1
1 62 . 16 1 1 A 31 31 ASP N N 493 123.117 117.794 5.323 1
1 63 . 16 1 1 A 32 32 LEU H H 494 8.239 7.884 0.355 1
1 64 . 16 1 1 A 32 32 LEU N N 494 122.294 117.918 4.376 1
1 65 . 16 1 1 A 33 33 ALA H H 495 8.018 7.985 0.033 1
1 66 . 16 1 1 A 33 33 ALA N N 495 121.358 121.607 -0.249 1
1 67 . 16 1 1 A 34 34 LYS H H 496 7.974 7.947 0.027 1
1 68 . 16 1 1 A 34 34 LYS N N 496 119.384 116.475 2.909 1
1 69 . 16 1 1 A 35 35 PHE H H 497 8.772 8.197 0.575 1
1 70 . 16 1 1 A 35 35 PHE N N 497 121.439 119.080 2.359 1
1 71 . 16 1 1 A 36 36 HIS H H 498 8.827 8.185 0.642 1
1 72 . 16 1 1 A 36 36 HIS N N 498 118.260 119.221 -0.961 1
1 73 . 16 1 1 A 37 37 GLN H H 499 8.144 8.624 -0.480 1
1 74 . 16 1 1 A 37 37 GLN N N 499 116.291 117.202 -0.911 1
1 75 . 16 1 1 A 38 38 MET H H 500 7.940 8.216 -0.276 1
1 76 . 16 1 1 A 38 38 MET N N 500 117.445 119.594 -2.149 1
1 77 . 16 1 1 A 39 39 LEU H H 501 8.866 8.004 0.862 1
1 78 . 16 1 1 A 39 39 LEU N N 501 120.987 120.261 0.726 1
1 79 . 16 1 1 A 40 40 VAL H H 502 8.196 7.997 0.199 1
1 80 . 16 1 1 A 40 40 VAL N N 502 116.383 118.631 -2.248 1
1 81 . 16 1 1 A 41 41 LYS H H 503 7.160 7.686 -0.526 1
1 82 . 16 1 1 A 41 41 LYS N N 503 118.718 121.474 -2.756 1
1 83 . 16 1 1 A 42 42 ILE H H 504 8.052 7.971 0.081 1
1 84 . 16 1 1 A 42 42 ILE N N 504 120.232 120.286 -0.054 1
1 1 . 17 1 1 A 1 1 VAL H H 463 7.568 8.064 -0.496 1
1 2 . 17 1 1 A 1 1 VAL N N 463 124.990 122.080 2.910 1
1 3 . 17 1 1 A 2 2 ILE H H 464 8.230 8.378 -0.148 1
1 4 . 17 1 1 A 2 2 ILE N N 464 120.553 119.963 0.590 1
1 5 . 17 1 1 A 3 3 ARG H H 465 8.608 8.124 0.484 1
1 6 . 17 1 1 A 3 3 ARG N N 465 118.677 122.929 -4.252 1
1 7 . 17 1 1 A 4 4 SER H H 466 7.857 7.761 0.096 1
1 8 . 17 1 1 A 4 4 SER N N 466 114.311 114.005 0.306 1
1 9 . 17 1 1 A 5 5 ILE H H 467 8.335 7.911 0.424 1
1 10 . 17 1 1 A 5 5 ILE N N 467 124.384 121.881 2.503 1
1 11 . 17 1 1 A 6 6 ILE H H 468 8.204 8.034 0.170 1
1 12 . 17 1 1 A 6 6 ILE N N 468 118.479 117.848 0.631 1
1 13 . 17 1 1 A 7 7 LYS H H 469 8.595 7.740 0.855 1
1 14 . 17 1 1 A 7 7 LYS N N 469 119.302 121.720 -2.418 1
1 15 . 17 1 1 A 8 8 SER H H 470 8.162 7.874 0.288 1
1 16 . 17 1 1 A 8 8 SER N N 470 111.766 114.269 -2.503 1
1 17 . 17 1 1 A 9 9 SER H H 471 7.529 7.912 -0.383 1
1 18 . 17 1 1 A 9 9 SER N N 471 117.943 117.187 0.756 1
1 19 . 17 1 1 A 10 10 ARG H H 472 9.338 8.502 0.836 1
1 20 . 17 1 1 A 10 10 ARG N N 472 118.011 125.295 -7.284 1
1 21 . 17 1 1 A 11 11 LEU H H 473 6.936 8.281 -1.345 1
1 22 . 17 1 1 A 11 11 LEU N N 473 117.884 118.761 -0.877 1
1 23 . 17 1 1 A 12 12 GLU H H 474 9.227 7.777 1.450 1
1 24 . 17 1 1 A 12 12 GLU N N 474 119.961 117.663 2.298 1
1 25 . 17 1 1 A 13 13 GLU H H 475 9.132 8.939 0.193 1
1 26 . 17 1 1 A 13 13 GLU N N 475 123.238 123.184 0.054 1
1 27 . 17 1 1 A 14 14 ASP H H 476 9.111 8.449 0.662 1
1 28 . 17 1 1 A 14 14 ASP N N 476 116.704 119.428 -2.724 1
1 29 . 17 1 1 A 15 15 ARG H H 477 7.383 8.116 -0.733 1
1 30 . 17 1 1 A 15 15 ARG N N 477 121.479 120.248 1.231 1
1 31 . 17 1 1 A 16 16 LYS H H 478 8.325 7.987 0.338 1
1 32 . 17 1 1 A 16 16 LYS N N 478 119.187 118.685 0.502 1
1 33 . 17 1 1 A 17 17 ARG H H 479 8.157 8.276 -0.119 1
1 34 . 17 1 1 A 17 17 ARG N N 479 117.047 119.509 -2.462 1
1 35 . 17 1 1 A 18 18 TYR H H 480 7.934 8.480 -0.546 1
1 36 . 17 1 1 A 18 18 TYR N N 480 120.969 121.357 -0.388 1
1 37 . 17 1 1 A 19 19 LEU H H 481 8.556 8.708 -0.152 1
1 38 . 17 1 1 A 19 19 LEU N N 481 119.137 121.134 -1.997 1
1 39 . 17 1 1 A 20 20 MET H H 482 8.381 8.396 -0.015 1
1 40 . 17 1 1 A 20 20 MET N N 482 117.261 116.892 0.369 1
1 41 . 17 1 1 A 21 21 THR H H 483 7.991 7.902 0.089 1
1 42 . 17 1 1 A 21 21 THR N N 483 115.676 116.054 -0.378 1
1 43 . 17 1 1 A 22 22 LEU H H 484 7.936 7.509 0.427 1
1 44 . 17 1 1 A 22 22 LEU N N 484 122.157 120.194 1.963 1
1 45 . 17 1 1 A 23 23 LEU H H 485 8.025 8.524 -0.499 1
1 46 . 17 1 1 A 23 23 LEU N N 485 118.525 119.691 -1.166 1
1 47 . 17 1 1 A 24 24 ASP H H 486 7.486 8.086 -0.600 1
1 48 . 17 1 1 A 24 24 ASP N N 486 117.162 119.089 -1.927 1
1 49 . 17 1 1 A 25 25 ASP H H 487 7.538 7.836 -0.298 1
1 50 . 17 1 1 A 25 25 ASP N N 487 118.593 118.079 0.514 1
1 51 . 17 1 1 A 26 26 ILE H H 488 7.550 7.681 -0.131 1
1 52 . 17 1 1 A 26 26 ILE N N 488 121.728 121.792 -0.064 1
1 53 . 17 1 1 A 27 27 LYS H H 489 9.443 7.891 1.552 1
1 54 . 17 1 1 A 27 27 LYS N N 489 127.933 118.108 9.825 1
1 55 . 17 1 1 A 28 28 GLY H H 490 8.763 7.535 1.228 1
1 56 . 17 1 1 A 28 28 GLY N N 490 112.504 104.311 8.193 1
1 57 . 17 1 1 A 29 29 ALA H H 491 7.932 8.868 -0.936 1
1 58 . 17 1 1 A 29 29 ALA N N 491 125.886 121.832 4.054 1
1 59 . 17 1 1 A 30 30 ASN H H 492 8.375 8.374 0.001 1
1 60 . 17 1 1 A 30 30 ASN N N 492 118.503 117.572 0.931 1
1 61 . 17 1 1 A 31 31 ASP H H 493 8.901 8.195 0.706 1
1 62 . 17 1 1 A 31 31 ASP N N 493 123.117 118.803 4.314 1
1 63 . 17 1 1 A 32 32 LEU H H 494 8.239 8.212 0.027 1
1 64 . 17 1 1 A 32 32 LEU N N 494 122.294 119.963 2.331 1
1 65 . 17 1 1 A 33 33 ALA H H 495 8.018 8.626 -0.608 1
1 66 . 17 1 1 A 33 33 ALA N N 495 121.358 121.497 -0.139 1
1 67 . 17 1 1 A 34 34 LYS H H 496 7.974 7.878 0.096 1
1 68 . 17 1 1 A 34 34 LYS N N 496 119.384 119.197 0.187 1
1 69 . 17 1 1 A 35 35 PHE H H 497 8.772 8.361 0.411 1
1 70 . 17 1 1 A 35 35 PHE N N 497 121.439 117.938 3.501 1
1 71 . 17 1 1 A 36 36 HIS H H 498 8.827 8.114 0.713 1
1 72 . 17 1 1 A 36 36 HIS N N 498 118.260 119.366 -1.106 1
1 73 . 17 1 1 A 37 37 GLN H H 499 8.144 8.607 -0.463 1
1 74 . 17 1 1 A 37 37 GLN N N 499 116.291 118.476 -2.185 1
1 75 . 17 1 1 A 38 38 MET H H 500 7.940 8.116 -0.176 1
1 76 . 17 1 1 A 38 38 MET N N 500 117.445 119.487 -2.042 1
1 77 . 17 1 1 A 39 39 LEU H H 501 8.866 7.940 0.926 1
1 78 . 17 1 1 A 39 39 LEU N N 501 120.987 120.174 0.813 1
1 79 . 17 1 1 A 40 40 VAL H H 502 8.196 7.746 0.450 1
1 80 . 17 1 1 A 40 40 VAL N N 502 116.383 118.714 -2.331 1
1 81 . 17 1 1 A 41 41 LYS H H 503 7.160 7.867 -0.707 1
1 82 . 17 1 1 A 41 41 LYS N N 503 118.718 121.091 -2.373 1
1 83 . 17 1 1 A 42 42 ILE H H 504 8.052 7.850 0.202 1
1 84 . 17 1 1 A 42 42 ILE N N 504 120.232 120.382 -0.150 1
1 1 . 18 1 1 A 1 1 VAL H H 463 7.568 8.040 -0.472 1
1 2 . 18 1 1 A 1 1 VAL N N 463 124.990 121.247 3.743 1
1 3 . 18 1 1 A 2 2 ILE H H 464 8.230 8.247 -0.017 1
1 4 . 18 1 1 A 2 2 ILE N N 464 120.553 118.420 2.133 1
1 5 . 18 1 1 A 3 3 ARG H H 465 8.608 8.181 0.427 1
1 6 . 18 1 1 A 3 3 ARG N N 465 118.677 122.748 -4.071 1
1 7 . 18 1 1 A 4 4 SER H H 466 7.857 8.011 -0.154 1
1 8 . 18 1 1 A 4 4 SER N N 466 114.311 116.883 -2.572 1
1 9 . 18 1 1 A 5 5 ILE H H 467 8.335 7.688 0.647 1
1 10 . 18 1 1 A 5 5 ILE N N 467 124.384 120.750 3.634 1
1 11 . 18 1 1 A 6 6 ILE H H 468 8.204 8.238 -0.034 1
1 12 . 18 1 1 A 6 6 ILE N N 468 118.479 118.101 0.378 1
1 13 . 18 1 1 A 7 7 LYS H H 469 8.595 7.637 0.958 1
1 14 . 18 1 1 A 7 7 LYS N N 469 119.302 122.216 -2.914 1
1 15 . 18 1 1 A 8 8 SER H H 470 8.162 8.151 0.011 1
1 16 . 18 1 1 A 8 8 SER N N 470 111.766 114.319 -2.553 1
1 17 . 18 1 1 A 9 9 SER H H 471 7.529 7.742 -0.213 1
1 18 . 18 1 1 A 9 9 SER N N 471 117.943 115.933 2.010 1
1 19 . 18 1 1 A 10 10 ARG H H 472 9.338 8.835 0.503 1
1 20 . 18 1 1 A 10 10 ARG N N 472 118.011 126.178 -8.167 1
1 21 . 18 1 1 A 11 11 LEU H H 473 6.936 7.826 -0.890 1
1 22 . 18 1 1 A 11 11 LEU N N 473 117.884 117.855 0.029 1
1 23 . 18 1 1 A 12 12 GLU H H 474 9.227 7.660 1.567 1
1 24 . 18 1 1 A 12 12 GLU N N 474 119.961 116.670 3.291 1
1 25 . 18 1 1 A 13 13 GLU H H 475 9.132 8.993 0.139 1
1 26 . 18 1 1 A 13 13 GLU N N 475 123.238 123.417 -0.179 1
1 27 . 18 1 1 A 14 14 ASP H H 476 9.111 8.547 0.564 1
1 28 . 18 1 1 A 14 14 ASP N N 476 116.704 119.496 -2.792 1
1 29 . 18 1 1 A 15 15 ARG H H 477 7.383 7.979 -0.596 1
1 30 . 18 1 1 A 15 15 ARG N N 477 121.479 119.445 2.034 1
1 31 . 18 1 1 A 16 16 LYS H H 478 8.325 7.994 0.331 1
1 32 . 18 1 1 A 16 16 LYS N N 478 119.187 118.669 0.518 1
1 33 . 18 1 1 A 17 17 ARG H H 479 8.157 7.899 0.258 1
1 34 . 18 1 1 A 17 17 ARG N N 479 117.047 119.782 -2.735 1
1 35 . 18 1 1 A 18 18 TYR H H 480 7.934 8.575 -0.641 1
1 36 . 18 1 1 A 18 18 TYR N N 480 120.969 121.140 -0.171 1
1 37 . 18 1 1 A 19 19 LEU H H 481 8.556 8.966 -0.410 1
1 38 . 18 1 1 A 19 19 LEU N N 481 119.137 120.056 -0.919 1
1 39 . 18 1 1 A 20 20 MET H H 482 8.381 8.288 0.093 1
1 40 . 18 1 1 A 20 20 MET N N 482 117.261 118.937 -1.676 1
1 41 . 18 1 1 A 21 21 THR H H 483 7.991 7.708 0.283 1
1 42 . 18 1 1 A 21 21 THR N N 483 115.676 114.574 1.102 1
1 43 . 18 1 1 A 22 22 LEU H H 484 7.936 7.723 0.213 1
1 44 . 18 1 1 A 22 22 LEU N N 484 122.157 121.010 1.147 1
1 45 . 18 1 1 A 23 23 LEU H H 485 8.025 8.816 -0.791 1
1 46 . 18 1 1 A 23 23 LEU N N 485 118.525 118.220 0.305 1
1 47 . 18 1 1 A 24 24 ASP H H 486 7.486 8.113 -0.627 1
1 48 . 18 1 1 A 24 24 ASP N N 486 117.162 119.451 -2.289 1
1 49 . 18 1 1 A 25 25 ASP H H 487 7.538 7.958 -0.420 1
1 50 . 18 1 1 A 25 25 ASP N N 487 118.593 118.023 0.570 1
1 51 . 18 1 1 A 26 26 ILE H H 488 7.550 7.542 0.008 1
1 52 . 18 1 1 A 26 26 ILE N N 488 121.728 119.866 1.862 1
1 53 . 18 1 1 A 27 27 LYS H H 489 9.443 7.481 1.962 1
1 54 . 18 1 1 A 27 27 LYS N N 489 127.933 118.654 9.279 1
1 55 . 18 1 1 A 28 28 GLY H H 490 8.763 8.040 0.723 1
1 56 . 18 1 1 A 28 28 GLY N N 490 112.504 107.138 5.366 1
1 57 . 18 1 1 A 29 29 ALA H H 491 7.932 9.225 -1.293 1
1 58 . 18 1 1 A 29 29 ALA N N 491 125.886 126.644 -0.758 1
1 59 . 18 1 1 A 30 30 ASN H H 492 8.375 8.262 0.113 1
1 60 . 18 1 1 A 30 30 ASN N N 492 118.503 116.685 1.818 1
1 61 . 18 1 1 A 31 31 ASP H H 493 8.901 7.925 0.976 1
1 62 . 18 1 1 A 31 31 ASP N N 493 123.117 117.746 5.371 1
1 63 . 18 1 1 A 32 32 LEU H H 494 8.239 7.820 0.419 1
1 64 . 18 1 1 A 32 32 LEU N N 494 122.294 121.065 1.229 1
1 65 . 18 1 1 A 33 33 ALA H H 495 8.018 8.351 -0.333 1
1 66 . 18 1 1 A 33 33 ALA N N 495 121.358 120.896 0.462 1
1 67 . 18 1 1 A 34 34 LYS H H 496 7.974 7.983 -0.009 1
1 68 . 18 1 1 A 34 34 LYS N N 496 119.384 118.930 0.454 1
1 69 . 18 1 1 A 35 35 PHE H H 497 8.772 8.450 0.322 1
1 70 . 18 1 1 A 35 35 PHE N N 497 121.439 117.804 3.635 1
1 71 . 18 1 1 A 36 36 HIS H H 498 8.827 8.187 0.640 1
1 72 . 18 1 1 A 36 36 HIS N N 498 118.260 119.630 -1.370 1
1 73 . 18 1 1 A 37 37 GLN H H 499 8.144 8.458 -0.314 1
1 74 . 18 1 1 A 37 37 GLN N N 499 116.291 118.294 -2.003 1
1 75 . 18 1 1 A 38 38 MET H H 500 7.940 7.998 -0.058 1
1 76 . 18 1 1 A 38 38 MET N N 500 117.445 118.337 -0.892 1
1 77 . 18 1 1 A 39 39 LEU H H 501 8.866 8.041 0.825 1
1 78 . 18 1 1 A 39 39 LEU N N 501 120.987 120.420 0.567 1
1 79 . 18 1 1 A 40 40 VAL H H 502 8.196 7.971 0.225 1
1 80 . 18 1 1 A 40 40 VAL N N 502 116.383 120.415 -4.032 1
1 81 . 18 1 1 A 41 41 LYS H H 503 7.160 7.848 -0.688 1
1 82 . 18 1 1 A 41 41 LYS N N 503 118.718 120.134 -1.416 1
1 83 . 18 1 1 A 42 42 ILE H H 504 8.052 7.737 0.315 1
1 84 . 18 1 1 A 42 42 ILE N N 504 120.232 119.585 0.647 1
1 1 . 19 1 1 A 1 1 VAL H H 463 7.568 7.855 -0.287 1
1 2 . 19 1 1 A 1 1 VAL N N 463 124.990 122.253 2.737 1
1 3 . 19 1 1 A 2 2 ILE H H 464 8.230 8.260 -0.030 1
1 4 . 19 1 1 A 2 2 ILE N N 464 120.553 120.066 0.487 1
1 5 . 19 1 1 A 3 3 ARG H H 465 8.608 8.129 0.479 1
1 6 . 19 1 1 A 3 3 ARG N N 465 118.677 122.239 -3.562 1
1 7 . 19 1 1 A 4 4 SER H H 466 7.857 7.743 0.114 1
1 8 . 19 1 1 A 4 4 SER N N 466 114.311 113.953 0.358 1
1 9 . 19 1 1 A 5 5 ILE H H 467 8.335 7.756 0.579 1
1 10 . 19 1 1 A 5 5 ILE N N 467 124.384 121.537 2.847 1
1 11 . 19 1 1 A 6 6 ILE H H 468 8.204 8.158 0.046 1
1 12 . 19 1 1 A 6 6 ILE N N 468 118.479 117.687 0.792 1
1 13 . 19 1 1 A 7 7 LYS H H 469 8.595 8.182 0.413 1
1 14 . 19 1 1 A 7 7 LYS N N 469 119.302 122.604 -3.302 1
1 15 . 19 1 1 A 8 8 SER H H 470 8.162 7.521 0.641 1
1 16 . 19 1 1 A 8 8 SER N N 470 111.766 113.600 -1.834 1
1 17 . 19 1 1 A 9 9 SER H H 471 7.529 7.615 -0.086 1
1 18 . 19 1 1 A 9 9 SER N N 471 117.943 115.458 2.485 1
1 19 . 19 1 1 A 10 10 ARG H H 472 9.338 8.611 0.727 1
1 20 . 19 1 1 A 10 10 ARG N N 472 118.011 119.322 -1.311 1
1 21 . 19 1 1 A 11 11 LEU H H 473 6.936 7.722 -0.786 1
1 22 . 19 1 1 A 11 11 LEU N N 473 117.884 122.802 -4.918 1
1 23 . 19 1 1 A 12 12 GLU H H 474 9.227 8.690 0.537 1
1 24 . 19 1 1 A 12 12 GLU N N 474 119.961 124.097 -4.136 1
1 25 . 19 1 1 A 13 13 GLU H H 475 9.132 8.736 0.396 1
1 26 . 19 1 1 A 13 13 GLU N N 475 123.238 122.777 0.461 1
1 27 . 19 1 1 A 14 14 ASP H H 476 9.111 8.530 0.581 1
1 28 . 19 1 1 A 14 14 ASP N N 476 116.704 118.956 -2.252 1
1 29 . 19 1 1 A 15 15 ARG H H 477 7.383 8.013 -0.630 1
1 30 . 19 1 1 A 15 15 ARG N N 477 121.479 119.579 1.900 1
1 31 . 19 1 1 A 16 16 LYS H H 478 8.325 8.207 0.118 1
1 32 . 19 1 1 A 16 16 LYS N N 478 119.187 118.867 0.320 1
1 33 . 19 1 1 A 17 17 ARG H H 479 8.157 8.283 -0.126 1
1 34 . 19 1 1 A 17 17 ARG N N 479 117.047 119.601 -2.554 1
1 35 . 19 1 1 A 18 18 TYR H H 480 7.934 8.433 -0.499 1
1 36 . 19 1 1 A 18 18 TYR N N 480 120.969 121.362 -0.393 1
1 37 . 19 1 1 A 19 19 LEU H H 481 8.556 8.820 -0.264 1
1 38 . 19 1 1 A 19 19 LEU N N 481 119.137 119.519 -0.382 1
1 39 . 19 1 1 A 20 20 MET H H 482 8.381 8.056 0.325 1
1 40 . 19 1 1 A 20 20 MET N N 482 117.261 119.611 -2.350 1
1 41 . 19 1 1 A 21 21 THR H H 483 7.991 8.047 -0.056 1
1 42 . 19 1 1 A 21 21 THR N N 483 115.676 114.419 1.257 1
1 43 . 19 1 1 A 22 22 LEU H H 484 7.936 7.476 0.460 1
1 44 . 19 1 1 A 22 22 LEU N N 484 122.157 121.392 0.765 1
1 45 . 19 1 1 A 23 23 LEU H H 485 8.025 8.550 -0.525 1
1 46 . 19 1 1 A 23 23 LEU N N 485 118.525 116.959 1.566 1
1 47 . 19 1 1 A 24 24 ASP H H 486 7.486 7.886 -0.400 1
1 48 . 19 1 1 A 24 24 ASP N N 486 117.162 119.359 -2.197 1
1 49 . 19 1 1 A 25 25 ASP H H 487 7.538 8.033 -0.495 1
1 50 . 19 1 1 A 25 25 ASP N N 487 118.593 118.104 0.489 1
1 51 . 19 1 1 A 26 26 ILE H H 488 7.550 7.131 0.419 1
1 52 . 19 1 1 A 26 26 ILE N N 488 121.728 121.926 -0.198 1
1 53 . 19 1 1 A 27 27 LYS H H 489 9.443 8.760 0.683 1
1 54 . 19 1 1 A 27 27 LYS N N 489 127.933 127.350 0.583 1
1 55 . 19 1 1 A 28 28 GLY H H 490 8.763 7.649 1.114 1
1 56 . 19 1 1 A 28 28 GLY N N 490 112.504 106.656 5.848 1
1 57 . 19 1 1 A 29 29 ALA H H 491 7.932 8.779 -0.847 1
1 58 . 19 1 1 A 29 29 ALA N N 491 125.886 127.576 -1.690 1
1 59 . 19 1 1 A 30 30 ASN H H 492 8.375 8.331 0.044 1
1 60 . 19 1 1 A 30 30 ASN N N 492 118.503 117.383 1.120 1
1 61 . 19 1 1 A 31 31 ASP H H 493 8.901 8.241 0.660 1
1 62 . 19 1 1 A 31 31 ASP N N 493 123.117 119.413 3.704 1
1 63 . 19 1 1 A 32 32 LEU H H 494 8.239 7.983 0.256 1
1 64 . 19 1 1 A 32 32 LEU N N 494 122.294 120.126 2.168 1
1 65 . 19 1 1 A 33 33 ALA H H 495 8.018 7.982 0.036 1
1 66 . 19 1 1 A 33 33 ALA N N 495 121.358 122.465 -1.107 1
1 67 . 19 1 1 A 34 34 LYS H H 496 7.974 7.780 0.194 1
1 68 . 19 1 1 A 34 34 LYS N N 496 119.384 119.238 0.146 1
1 69 . 19 1 1 A 35 35 PHE H H 497 8.772 8.631 0.141 1
1 70 . 19 1 1 A 35 35 PHE N N 497 121.439 120.909 0.530 1
1 71 . 19 1 1 A 36 36 HIS H H 498 8.827 8.428 0.399 1
1 72 . 19 1 1 A 36 36 HIS N N 498 118.260 118.785 -0.525 1
1 73 . 19 1 1 A 37 37 GLN H H 499 8.144 8.340 -0.196 1
1 74 . 19 1 1 A 37 37 GLN N N 499 116.291 118.292 -2.001 1
1 75 . 19 1 1 A 38 38 MET H H 500 7.940 8.176 -0.236 1
1 76 . 19 1 1 A 38 38 MET N N 500 117.445 119.185 -1.740 1
1 77 . 19 1 1 A 39 39 LEU H H 501 8.866 8.167 0.699 1
1 78 . 19 1 1 A 39 39 LEU N N 501 120.987 117.754 3.233 1
1 79 . 19 1 1 A 40 40 VAL H H 502 8.196 7.782 0.414 1
1 80 . 19 1 1 A 40 40 VAL N N 502 116.383 119.257 -2.874 1
1 81 . 19 1 1 A 41 41 LYS H H 503 7.160 8.034 -0.874 1
1 82 . 19 1 1 A 41 41 LYS N N 503 118.718 120.237 -1.519 1
1 83 . 19 1 1 A 42 42 ILE H H 504 8.052 7.836 0.216 1
1 84 . 19 1 1 A 42 42 ILE N N 504 120.232 120.191 0.041 1
1 1 . 20 1 1 A 1 1 VAL H H 463 7.568 8.058 -0.490 1
1 2 . 20 1 1 A 1 1 VAL N N 463 124.990 121.543 3.447 1
1 3 . 20 1 1 A 2 2 ILE H H 464 8.230 8.355 -0.125 1
1 4 . 20 1 1 A 2 2 ILE N N 464 120.553 120.149 0.404 1
1 5 . 20 1 1 A 3 3 ARG H H 465 8.608 8.021 0.587 1
1 6 . 20 1 1 A 3 3 ARG N N 465 118.677 122.356 -3.679 1
1 7 . 20 1 1 A 4 4 SER H H 466 7.857 8.488 -0.631 1
1 8 . 20 1 1 A 4 4 SER N N 466 114.311 114.740 -0.429 1
1 9 . 20 1 1 A 5 5 ILE H H 467 8.335 7.768 0.567 1
1 10 . 20 1 1 A 5 5 ILE N N 467 124.384 122.920 1.464 1
1 11 . 20 1 1 A 6 6 ILE H H 468 8.204 7.782 0.422 1
1 12 . 20 1 1 A 6 6 ILE N N 468 118.479 117.384 1.095 1
1 13 . 20 1 1 A 7 7 LYS H H 469 8.595 7.911 0.684 1
1 14 . 20 1 1 A 7 7 LYS N N 469 119.302 122.331 -3.029 1
1 15 . 20 1 1 A 8 8 SER H H 470 8.162 7.722 0.440 1
1 16 . 20 1 1 A 8 8 SER N N 470 111.766 112.288 -0.522 1
1 17 . 20 1 1 A 9 9 SER H H 471 7.529 7.658 -0.129 1
1 18 . 20 1 1 A 9 9 SER N N 471 117.943 119.377 -1.434 1
1 19 . 20 1 1 A 10 10 ARG H H 472 9.338 8.901 0.437 1
1 20 . 20 1 1 A 10 10 ARG N N 472 118.011 126.781 -8.770 1
1 21 . 20 1 1 A 11 11 LEU H H 473 6.936 7.757 -0.821 1
1 22 . 20 1 1 A 11 11 LEU N N 473 117.884 116.595 1.289 1
1 23 . 20 1 1 A 12 12 GLU H H 474 9.227 7.682 1.545 1
1 24 . 20 1 1 A 12 12 GLU N N 474 119.961 118.926 1.035 1
1 25 . 20 1 1 A 13 13 GLU H H 475 9.132 8.568 0.564 1
1 26 . 20 1 1 A 13 13 GLU N N 475 123.238 126.215 -2.977 1
1 27 . 20 1 1 A 14 14 ASP H H 476 9.111 8.486 0.625 1
1 28 . 20 1 1 A 14 14 ASP N N 476 116.704 118.690 -1.986 1
1 29 . 20 1 1 A 15 15 ARG H H 477 7.383 8.071 -0.688 1
1 30 . 20 1 1 A 15 15 ARG N N 477 121.479 119.991 1.488 1
1 31 . 20 1 1 A 16 16 LYS H H 478 8.325 8.222 0.103 1
1 32 . 20 1 1 A 16 16 LYS N N 478 119.187 118.291 0.896 1
1 33 . 20 1 1 A 17 17 ARG H H 479 8.157 7.621 0.536 1
1 34 . 20 1 1 A 17 17 ARG N N 479 117.047 119.882 -2.835 1
1 35 . 20 1 1 A 18 18 TYR H H 480 7.934 8.661 -0.727 1
1 36 . 20 1 1 A 18 18 TYR N N 480 120.969 120.992 -0.023 1
1 37 . 20 1 1 A 19 19 LEU H H 481 8.556 8.913 -0.357 1
1 38 . 20 1 1 A 19 19 LEU N N 481 119.137 120.904 -1.767 1
1 39 . 20 1 1 A 20 20 MET H H 482 8.381 7.762 0.619 1
1 40 . 20 1 1 A 20 20 MET N N 482 117.261 119.111 -1.850 1
1 41 . 20 1 1 A 21 21 THR H H 483 7.991 7.726 0.265 1
1 42 . 20 1 1 A 21 21 THR N N 483 115.676 114.489 1.187 1
1 43 . 20 1 1 A 22 22 LEU H H 484 7.936 7.698 0.238 1
1 44 . 20 1 1 A 22 22 LEU N N 484 122.157 120.926 1.231 1
1 45 . 20 1 1 A 23 23 LEU H H 485 8.025 8.570 -0.545 1
1 46 . 20 1 1 A 23 23 LEU N N 485 118.525 116.370 2.155 1
1 47 . 20 1 1 A 24 24 ASP H H 486 7.486 8.166 -0.680 1
1 48 . 20 1 1 A 24 24 ASP N N 486 117.162 119.550 -2.388 1
1 49 . 20 1 1 A 25 25 ASP H H 487 7.538 7.723 -0.185 1
1 50 . 20 1 1 A 25 25 ASP N N 487 118.593 118.113 0.480 1
1 51 . 20 1 1 A 26 26 ILE H H 488 7.550 7.609 -0.059 1
1 52 . 20 1 1 A 26 26 ILE N N 488 121.728 120.027 1.701 1
1 53 . 20 1 1 A 27 27 LYS H H 489 9.443 7.655 1.788 1
1 54 . 20 1 1 A 27 27 LYS N N 489 127.933 118.537 9.396 1
1 55 . 20 1 1 A 28 28 GLY H H 490 8.763 8.624 0.139 1
1 56 . 20 1 1 A 28 28 GLY N N 490 112.504 107.226 5.278 1
1 57 . 20 1 1 A 29 29 ALA H H 491 7.932 8.908 -0.976 1
1 58 . 20 1 1 A 29 29 ALA N N 491 125.886 126.466 -0.580 1
1 59 . 20 1 1 A 30 30 ASN H H 492 8.375 8.409 -0.034 1
1 60 . 20 1 1 A 30 30 ASN N N 492 118.503 115.884 2.619 1
1 61 . 20 1 1 A 31 31 ASP H H 493 8.901 8.074 0.827 1
1 62 . 20 1 1 A 31 31 ASP N N 493 123.117 120.832 2.285 1
1 63 . 20 1 1 A 32 32 LEU H H 494 8.239 8.349 -0.110 1
1 64 . 20 1 1 A 32 32 LEU N N 494 122.294 120.564 1.730 1
1 65 . 20 1 1 A 33 33 ALA H H 495 8.018 8.413 -0.395 1
1 66 . 20 1 1 A 33 33 ALA N N 495 121.358 121.556 -0.198 1
1 67 . 20 1 1 A 34 34 LYS H H 496 7.974 7.984 -0.010 1
1 68 . 20 1 1 A 34 34 LYS N N 496 119.384 119.134 0.250 1
1 69 . 20 1 1 A 35 35 PHE H H 497 8.772 8.024 0.748 1
1 70 . 20 1 1 A 35 35 PHE N N 497 121.439 118.602 2.837 1
1 71 . 20 1 1 A 36 36 HIS H H 498 8.827 8.063 0.764 1
1 72 . 20 1 1 A 36 36 HIS N N 498 118.260 117.820 0.440 1
1 73 . 20 1 1 A 37 37 GLN H H 499 8.144 8.250 -0.106 1
1 74 . 20 1 1 A 37 37 GLN N N 499 116.291 118.790 -2.499 1
1 75 . 20 1 1 A 38 38 MET H H 500 7.940 8.245 -0.305 1
1 76 . 20 1 1 A 38 38 MET N N 500 117.445 117.574 -0.129 1
1 77 . 20 1 1 A 39 39 LEU H H 501 8.866 8.188 0.678 1
1 78 . 20 1 1 A 39 39 LEU N N 501 120.987 119.807 1.180 1
1 79 . 20 1 1 A 40 40 VAL H H 502 8.196 8.143 0.053 1
1 80 . 20 1 1 A 40 40 VAL N N 502 116.383 119.992 -3.609 1
1 81 . 20 1 1 A 41 41 LYS H H 503 7.160 7.803 -0.643 1
1 82 . 20 1 1 A 41 41 LYS N N 503 118.718 118.301 0.417 1
1 83 . 20 1 1 A 42 42 ILE H H 504 8.052 7.861 0.191 1
1 84 . 20 1 1 A 42 42 ILE N N 504 120.232 119.849 0.383 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 42 0.598 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 42 2.857 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 42 0.534 1
11 1 2 1 "RMS(OBS, PRED)" HA 0 0.000 1
12 1 2 1 "RMS(OBS, PRED)" N 42 2.438 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 42 0.571 1
17 1 3 1 "RMS(OBS, PRED)" HA 0 0.000 1
18 1 3 1 "RMS(OBS, PRED)" N 42 2.671 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 42 0.577 1
23 1 4 1 "RMS(OBS, PRED)" HA 0 0.000 1
24 1 4 1 "RMS(OBS, PRED)" N 42 2.735 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 42 0.639 1
29 1 5 1 "RMS(OBS, PRED)" HA 0 0.000 1
30 1 5 1 "RMS(OBS, PRED)" N 42 2.541 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 42 0.583 1
35 1 6 1 "RMS(OBS, PRED)" HA 0 0.000 1
36 1 6 1 "RMS(OBS, PRED)" N 42 2.687 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 42 0.537 1
41 1 7 1 "RMS(OBS, PRED)" HA 0 0.000 1
42 1 7 1 "RMS(OBS, PRED)" N 42 2.222 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 42 0.660 1
47 1 8 1 "RMS(OBS, PRED)" HA 0 0.000 1
48 1 8 1 "RMS(OBS, PRED)" N 42 2.908 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 42 0.631 1
53 1 9 1 "RMS(OBS, PRED)" HA 0 0.000 1
54 1 9 1 "RMS(OBS, PRED)" N 42 2.391 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 42 0.607 1
59 1 10 1 "RMS(OBS, PRED)" HA 0 0.000 1
60 1 10 1 "RMS(OBS, PRED)" N 42 2.790 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 42 0.686 1
65 1 11 1 "RMS(OBS, PRED)" HA 0 0.000 1
66 1 11 1 "RMS(OBS, PRED)" N 42 3.408 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 42 0.654 1
71 1 12 1 "RMS(OBS, PRED)" HA 0 0.000 1
72 1 12 1 "RMS(OBS, PRED)" N 42 3.057 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 42 0.628 1
77 1 13 1 "RMS(OBS, PRED)" HA 0 0.000 1
78 1 13 1 "RMS(OBS, PRED)" N 42 2.103 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 42 0.625 1
83 1 14 1 "RMS(OBS, PRED)" HA 0 0.000 1
84 1 14 1 "RMS(OBS, PRED)" N 42 2.634 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 42 0.697 1
89 1 15 1 "RMS(OBS, PRED)" HA 0 0.000 1
90 1 15 1 "RMS(OBS, PRED)" N 42 3.561 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 42 0.596 1
95 1 16 1 "RMS(OBS, PRED)" HA 0 0.000 1
96 1 16 1 "RMS(OBS, PRED)" N 42 2.835 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 42 0.641 1
101 1 17 1 "RMS(OBS, PRED)" HA 0 0.000 1
102 1 17 1 "RMS(OBS, PRED)" N 42 3.018 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 42 0.650 1
107 1 18 1 "RMS(OBS, PRED)" HA 0 0.000 1
108 1 18 1 "RMS(OBS, PRED)" N 42 3.025 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 42 0.489 1
113 1 19 1 "RMS(OBS, PRED)" HA 0 0.000 1
114 1 19 1 "RMS(OBS, PRED)" N 42 2.267 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 42 0.626 1
119 1 20 1 "RMS(OBS, PRED)" HA 0 0.000 1
120 1 20 1 "RMS(OBS, PRED)" N 42 2.828 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 1 1 VAL H H 463 7.568 8.000 -0.432 2
1 2 . 1 1 A 1 1 VAL N N 463 124.990 121.518 3.472 2
1 3 . 1 1 A 2 2 ILE H H 464 8.230 8.233 -0.003 2
1 4 . 1 1 A 2 2 ILE N N 464 120.553 119.729 0.824 2
1 5 . 1 1 A 3 3 ARG H H 465 8.608 8.091 0.517 2
1 6 . 1 1 A 3 3 ARG N N 465 118.677 122.127 -3.450 2
1 7 . 1 1 A 4 4 SER H H 466 7.857 7.981 -0.124 2
1 8 . 1 1 A 4 4 SER N N 466 114.311 114.999 -0.688 2
1 9 . 1 1 A 5 5 ILE H H 467 8.335 7.877 0.458 2
1 10 . 1 1 A 5 5 ILE N N 467 124.384 121.231 3.153 2
1 11 . 1 1 A 6 6 ILE H H 468 8.204 8.030 0.174 2
1 12 . 1 1 A 6 6 ILE N N 468 118.479 117.917 0.562 2
1 13 . 1 1 A 7 7 LYS H H 469 8.595 7.778 0.817 2
1 14 . 1 1 A 7 7 LYS N N 469 119.302 122.044 -2.742 2
1 15 . 1 1 A 8 8 SER H H 470 8.162 7.797 0.365 2
1 16 . 1 1 A 8 8 SER N N 470 111.766 113.896 -2.130 2
1 17 . 1 1 A 9 9 SER H H 471 7.529 7.701 -0.172 2
1 18 . 1 1 A 9 9 SER N N 471 117.943 117.093 0.850 2
1 19 . 1 1 A 10 10 ARG H H 472 9.338 8.659 0.679 2
1 20 . 1 1 A 10 10 ARG N N 472 118.011 125.547 -7.536 2
1 21 . 1 1 A 11 11 LEU H H 473 6.936 8.026 -1.090 2
1 22 . 1 1 A 11 11 LEU N N 473 117.884 119.498 -1.614 2
1 23 . 1 1 A 12 12 GLU H H 474 9.227 7.977 1.250 2
1 24 . 1 1 A 12 12 GLU N N 474 119.961 117.961 2.000 2
1 25 . 1 1 A 13 13 GLU H H 475 9.132 8.690 0.442 2
1 26 . 1 1 A 13 13 GLU N N 475 123.238 123.921 -0.683 2
1 27 . 1 1 A 14 14 ASP H H 476 9.111 8.398 0.713 2
1 28 . 1 1 A 14 14 ASP N N 476 116.704 119.811 -3.107 2
1 29 . 1 1 A 15 15 ARG H H 477 7.383 8.041 -0.658 2
1 30 . 1 1 A 15 15 ARG N N 477 121.479 120.037 1.442 2
1 31 . 1 1 A 16 16 LYS H H 478 8.325 8.037 0.288 2
1 32 . 1 1 A 16 16 LYS N N 478 119.187 118.842 0.345 2
1 33 . 1 1 A 17 17 ARG H H 479 8.157 7.927 0.230 2
1 34 . 1 1 A 17 17 ARG N N 479 117.047 119.517 -2.470 2
1 35 . 1 1 A 18 18 TYR H H 480 7.934 8.562 -0.628 2
1 36 . 1 1 A 18 18 TYR N N 480 120.969 121.444 -0.475 2
1 37 . 1 1 A 19 19 LEU H H 481 8.556 8.846 -0.290 2
1 38 . 1 1 A 19 19 LEU N N 481 119.137 120.355 -1.218 2
1 39 . 1 1 A 20 20 MET H H 482 8.381 8.056 0.325 2
1 40 . 1 1 A 20 20 MET N N 482 117.261 119.007 -1.746 2
1 41 . 1 1 A 21 21 THR H H 483 7.991 7.900 0.091 2
1 42 . 1 1 A 21 21 THR N N 483 115.676 114.599 1.077 2
1 43 . 1 1 A 22 22 LEU H H 484 7.936 7.637 0.299 2
1 44 . 1 1 A 22 22 LEU N N 484 122.157 120.492 1.665 2
1 45 . 1 1 A 23 23 LEU H H 485 8.025 8.594 -0.569 2
1 46 . 1 1 A 23 23 LEU N N 485 118.525 118.381 0.144 2
1 47 . 1 1 A 24 24 ASP H H 486 7.486 8.126 -0.640 2
1 48 . 1 1 A 24 24 ASP N N 486 117.162 119.010 -1.848 2
1 49 . 1 1 A 25 25 ASP H H 487 7.538 7.863 -0.325 2
1 50 . 1 1 A 25 25 ASP N N 487 118.593 118.220 0.373 2
1 51 . 1 1 A 26 26 ILE H H 488 7.550 7.409 0.141 2
1 52 . 1 1 A 26 26 ILE N N 488 121.728 120.826 0.902 2
1 53 . 1 1 A 27 27 LYS H H 489 9.443 8.247 1.196 2
1 54 . 1 1 A 27 27 LYS N N 489 127.933 122.688 5.245 2
1 55 . 1 1 A 28 28 GLY H H 490 8.763 8.033 0.730 2
1 56 . 1 1 A 28 28 GLY N N 490 112.504 108.188 4.316 2
1 57 . 1 1 A 29 29 ALA H H 491 7.932 8.967 -1.035 2
1 58 . 1 1 A 29 29 ALA N N 491 125.886 126.996 -1.110 2
1 59 . 1 1 A 30 30 ASN H H 492 8.375 8.297 0.078 2
1 60 . 1 1 A 30 30 ASN N N 492 118.503 116.943 1.560 2
1 61 . 1 1 A 31 31 ASP H H 493 8.901 8.115 0.786 2
1 62 . 1 1 A 31 31 ASP N N 493 123.117 119.358 3.759 2
1 63 . 1 1 A 32 32 LEU H H 494 8.239 8.114 0.125 2
1 64 . 1 1 A 32 32 LEU N N 494 122.294 119.826 2.469 2
1 65 . 1 1 A 33 33 ALA H H 495 8.018 8.246 -0.228 2
1 66 . 1 1 A 33 33 ALA N N 495 121.358 121.561 -0.203 2
1 67 . 1 1 A 34 34 LYS H H 496 7.974 7.841 0.133 2
1 68 . 1 1 A 34 34 LYS N N 496 119.384 118.672 0.712 2
1 69 . 1 1 A 35 35 PHE H H 497 8.772 8.379 0.393 2
1 70 . 1 1 A 35 35 PHE N N 497 121.439 118.827 2.612 2
1 71 . 1 1 A 36 36 HIS H H 498 8.827 8.256 0.571 2
1 72 . 1 1 A 36 36 HIS N N 498 118.260 119.193 -0.933 2
1 73 . 1 1 A 37 37 GLN H H 499 8.144 8.429 -0.285 2
1 74 . 1 1 A 37 37 GLN N N 499 116.291 117.985 -1.694 2
1 75 . 1 1 A 38 38 MET H H 500 7.940 8.090 -0.150 2
1 76 . 1 1 A 38 38 MET N N 500 117.445 119.351 -1.906 2
1 77 . 1 1 A 39 39 LEU H H 501 8.866 7.989 0.877 2
1 78 . 1 1 A 39 39 LEU N N 501 120.987 119.481 1.506 2
1 79 . 1 1 A 40 40 VAL H H 502 8.196 7.949 0.247 2
1 80 . 1 1 A 40 40 VAL N N 502 116.383 119.437 -3.054 2
1 81 . 1 1 A 41 41 LYS H H 503 7.160 7.920 -0.760 2
1 82 . 1 1 A 41 41 LYS N N 503 118.718 119.571 -0.853 2
1 83 . 1 1 A 42 42 ILE H H 504 8.052 7.854 0.198 2
1 84 . 1 1 A 42 42 ILE N N 504 120.232 119.959 0.273 2
stop_
save_