data_nef_c16056_2kbv save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 ACE C 1 2 LYS N 1 27 LYS C 1 28 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 446 ACE start . . 2 A 447 LYS middle -H2 . 3 A 448 ASP middle . . 4 A 449 GLN middle . . 5 A 450 PHE middle . . 6 A 451 ILE middle . . 7 A 452 ILE middle . . 8 A 453 ALA middle . . 9 A 454 TYR middle . . 10 A 455 GLY middle . false 11 A 456 GLY middle . false 12 A 457 LEU middle . . 13 A 458 ARG middle . . 14 A 459 GLY middle . false 15 A 460 ALA middle . . 16 A 461 ILE middle . . 17 A 462 ALA middle . . 18 A 463 PHE middle . . 19 A 464 SER middle . . 20 A 465 LEU middle . . 21 A 466 GLY middle . false 22 A 467 TYR middle . . 23 A 468 LEU middle . . 24 A 469 LEU middle . . 25 A 470 ASP middle . . 26 A 471 LYS middle . . 27 A 472 LYS middle -OXT . 28 A 473 NH2 end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 446 LYS_AC H H 1 8.637 0.05 A 446 LYS_AC HA H 1 4.077 0.05 A 446 LYS_AC HB2 H 1 1.815 0.05 A 446 LYS_AC HB3 H 1 1.815 0.05 A 446 LYS_AC HD2 H 1 1.689 0.05 A 446 LYS_AC HD3 H 1 1.689 0.05 A 446 LYS_AC HE2 H 1 2.962 0.05 A 446 LYS_AC HE3 H 1 2.962 0.05 A 446 LYS_AC HG2 H 1 1.474 0.05 A 446 LYS_AC HG3 H 1 1.474 0.05 A 446 LYS_AC HZ1 H 1 7.770 0.05 A 446 LYS_AC HZ2 H 1 7.770 0.05 A 446 LYS_AC HZ3 H 1 7.770 0.05 A 446 LYS_AC CA C 13 58.533 0.5 A 446 LYS_AC CD C 13 29.589 0.5 A 446 LYS_AC CE C 13 42.023 0.5 A 446 LYS_AC CG C 13 24.794 0.5 A 448 ASP H H 1 8.575 0.05 A 448 ASP HA H 1 4.431 0.05 A 448 ASP HBx H 1 2.652 0.05 A 448 ASP HBy H 1 2.652 0.05 A 448 ASP CA C 13 55.579 0.5 A 448 ASP CB C 13 40.933 0.5 A 449 GLN H H 1 8.057 0.05 A 449 GLN HA H 1 4.100 0.05 A 449 GLN HBx H 1 2.014 0.05 A 449 GLN HBy H 1 2.014 0.05 A 449 GLN HE2x H 1 6.799 0.05 A 449 GLN HE2y H 1 7.524 0.05 A 449 GLN HGx H 1 2.296 0.05 A 449 GLN HGy H 1 2.296 0.05 A 449 GLN CB C 13 28.788 0.5 A 449 GLN CG C 13 34.091 0.5 A 450 PHE H H 1 8.230 0.05 A 450 PHE HA H 1 4.361 0.05 A 450 PHE HBx H 1 3.167 0.05 A 450 PHE HBy H 1 3.167 0.05 A 450 PHE HDx H 1 7.222 0.05 A 450 PHE HDy H 1 7.222 0.05 A 450 PHE HEx H 1 7.222 0.05 A 450 PHE HEy H 1 7.222 0.05 A 450 PHE CA C 13 60.293 0.5 A 450 PHE CB C 13 39.376 0.5 A 451 ILE H H 1 7.941 0.05 A 451 ILE HA H 1 3.803 0.05 A 451 ILE HB H 1 1.969 0.05 A 451 ILE HD1% H 1 0.883 0.05 A 451 ILE HG12 H 1 1.204 0.05 A 451 ILE HG13 H 1 1.651 0.05 A 451 ILE HG2% H 1 0.912 0.05 A 451 ILE CA C 13 63.680 0.5 A 451 ILE CG2 C 13 17.743 0.5 A 452 ILE H H 1 7.783 0.05 A 452 ILE HA H 1 3.851 0.05 A 452 ILE HB H 1 1.851 0.05 A 452 ILE HD1% H 1 0.837 0.05 A 452 ILE HG12 H 1 1.180 0.05 A 452 ILE HG13 H 1 1.592 0.05 A 452 ILE HG2% H 1 0.878 0.05 A 452 ILE CA C 13 63.423 0.5 A 452 ILE CB C 13 38.413 0.5 A 453 ALA H H 1 7.982 0.05 A 453 ALA HA H 1 4.104 0.05 A 453 ALA HB% H 1 1.262 0.05 A 453 ALA CB C 13 18.892 0.5 A 454 TYR H H 1 8.034 0.05 A 454 TYR HA H 1 4.283 0.05 A 454 TYR HBy H 1 3.067 0.05 A 454 TYR HBx H 1 2.721 0.05 A 454 TYR HDx H 1 6.919 0.05 A 454 TYR HDy H 1 6.919 0.05 A 454 TYR HEx H 1 6.587 0.05 A 454 TYR HEy H 1 6.587 0.05 A 454 TYR CA C 13 59.582 0.5 A 454 TYR CB C 13 38.586 0.5 A 455 GLY H H 1 8.106 0.05 A 455 GLY HAy H 1 4.018 0.05 A 455 GLY HAx H 1 3.799 0.05 A 456 GLY H H 1 8.124 0.05 A 456 GLY HAy H 1 4.056 0.05 A 456 GLY HAx H 1 3.959 0.05 A 457 LEU H H 1 8.450 0.05 A 457 LEU HA H 1 4.102 0.05 A 457 LEU HBx H 1 1.563 0.05 A 457 LEU HBy H 1 1.563 0.05 A 457 LEU HDx% H 1 0.960 0.05 A 457 LEU HDy% H 1 0.922 0.05 A 457 LEU HG H 1 1.734 0.05 A 457 LEU CDx C 13 24.689 0.5 A 457 LEU CDy C 13 25.330 0.5 A 458 ARG H H 1 8.612 0.05 A 458 ARG HA H 1 3.809 0.05 A 458 ARG HBx H 1 1.815 0.05 A 458 ARG HBy H 1 1.815 0.05 A 458 ARG HDx H 1 3.169 0.05 A 458 ARG HDy H 1 3.169 0.05 A 458 ARG HE H 1 7.650 0.05 A 458 ARG HGy H 1 1.647 0.05 A 458 ARG HGx H 1 1.570 0.05 A 458 ARG HH1x H 1 6.922 0.05 A 458 ARG HH1y H 1 6.922 0.05 A 458 ARG HH2x H 1 6.922 0.05 A 458 ARG HH2y H 1 6.922 0.05 A 458 ARG CA C 13 60.401 0.5 A 458 ARG CD C 13 43.494 0.5 A 459 GLY H H 1 8.167 0.05 A 459 GLY HAy H 1 4.016 0.05 A 459 GLY HAx H 1 3.897 0.05 A 460 ALA H H 1 8.282 0.05 A 460 ALA HA H 1 4.210 0.05 A 460 ALA HB% H 1 1.536 0.05 A 460 ALA CA C 13 55.287 0.5 A 460 ALA CB C 13 18.530 0.5 A 461 ILE H H 1 8.491 0.05 A 461 ILE HA H 1 3.707 0.05 A 461 ILE HB H 1 2.032 0.05 A 461 ILE HD1% H 1 0.833 0.05 A 461 ILE HG12 H 1 1.139 0.05 A 461 ILE HG13 H 1 1.819 0.05 A 461 ILE HG2% H 1 0.914 0.05 A 461 ILE CA C 13 65.002 0.5 A 461 ILE CB C 13 37.656 0.5 A 461 ILE CD1 C 13 18.450 0.5 A 461 ILE CG2 C 13 17.743 0.5 A 462 ALA H H 1 8.449 0.05 A 462 ALA HA H 1 4.016 0.05 A 462 ALA HB% H 1 1.561 0.05 A 462 ALA CA C 13 55.971 0.5 A 462 ALA CB C 13 18.530 0.5 A 463 PHE H H 1 8.384 0.05 A 463 PHE HA H 1 4.253 0.05 A 463 PHE HBy H 1 3.315 0.05 A 463 PHE HBx H 1 3.108 0.05 A 463 PHE HDx H 1 7.208 0.05 A 463 PHE HDy H 1 7.208 0.05 A 463 PHE HEx H 1 7.260 0.05 A 463 PHE HEy H 1 7.260 0.05 A 463 PHE CA C 13 60.942 0.5 A 464 SER H H 1 8.125 0.05 A 464 SER HA H 1 4.017 0.05 A 464 SER HBx H 1 3.802 0.05 A 464 SER HBy H 1 3.802 0.05 A 465 LEU H H 1 8.449 0.05 A 465 LEU HA H 1 4.100 0.05 A 465 LEU HBx H 1 1.537 0.05 A 465 LEU HBy H 1 1.537 0.05 A 465 LEU HDx% H 1 0.884 0.05 A 465 LEU HDy% H 1 0.852 0.05 A 465 LEU HG H 1 1.860 0.05 A 465 LEU CDy C 13 25.484 0.5 A 465 LEU CDx C 13 23.506 0.5 A 465 LEU CG C 13 27.010 0.5 A 466 GLY H H 1 7.929 0.05 A 466 GLY HAy H 1 3.849 0.05 A 466 GLY HAx H 1 3.698 0.05 A 467 TYR H H 1 7.852 0.05 A 467 TYR HA H 1 4.118 0.05 A 467 TYR HBy H 1 2.989 0.05 A 467 TYR HBx H 1 2.727 0.05 A 467 TYR HDx H 1 6.975 0.05 A 467 TYR HDy H 1 6.975 0.05 A 467 TYR HEx H 1 6.765 0.05 A 467 TYR HEy H 1 6.765 0.05 A 467 TYR CB C 13 38.713 0.5 A 468 LEU H H 1 7.926 0.05 A 468 LEU HA H 1 3.911 0.05 A 468 LEU HBx H 1 1.899 0.05 A 468 LEU HBy H 1 1.899 0.05 A 468 LEU HDx% H 1 0.925 0.05 A 468 LEU HDy% H 1 0.925 0.05 A 468 LEU HG H 1 1.541 0.05 A 468 LEU CA C 13 57.298 0.5 A 468 LEU CG C 13 26.983 0.5 A 469 LEU H H 1 8.018 0.05 A 469 LEU HA H 1 4.120 0.05 A 469 LEU HBx H 1 1.574 0.05 A 469 LEU HBy H 1 1.574 0.05 A 469 LEU HDx% H 1 0.882 0.05 A 469 LEU HDy% H 1 0.853 0.05 A 469 LEU HG H 1 1.766 0.05 A 469 LEU CDy C 13 25.484 0.5 A 469 LEU CDx C 13 23.506 0.5 A 470 ASP H H 1 7.764 0.05 A 470 ASP HA H 1 4.452 0.05 A 470 ASP HBx H 1 2.677 0.05 A 470 ASP HBy H 1 2.677 0.05 A 470 ASP CB C 13 40.933 0.5 A 471 LYS H H 1 7.981 0.05 A 471 LYS HA H 1 4.118 0.05 A 471 LYS HBx H 1 1.762 0.05 A 471 LYS HBy H 1 1.735 0.05 A 471 LYS HDx H 1 1.556 0.05 A 471 LYS HDy H 1 1.556 0.05 A 471 LYS HEx H 1 2.918 0.05 A 471 LYS HEy H 1 2.831 0.05 A 471 LYS HGx H 1 1.301 0.05 A 471 LYS HGy H 1 1.301 0.05 A 471 LYS HZ1 H 1 7.631 0.05 A 471 LYS HZ2 H 1 7.631 0.05 A 471 LYS HZ3 H 1 7.631 0.05 A 471 LYS_NH2 CA C 13 56.367 0.5 A 471 LYS CD C 13 28.507 0.5 A 471 LYS CE C 13 42.155 0.5 A 471 LYS CG C 13 24.589 0.5 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 457 LEU HA A 457 LEU H 1.0 1.8 2.8 2 1 A 465 LEU HA A 465 LEU H 1.0 1.8 2.8 3 2 A 451 ILE HG2% A 451 ILE HA 1.0 1.8 2.8 4 3 A 464 SER HA A 464 SER HBx 1.0 1.8 2.8 5 3 A 464 SER HBy A 464 SER HA 1.0 1.8 2.8 6 4 A 457 LEU H A 457 LEU HBx 1.0 1.8 2.8 7 4 A 457 LEU H A 457 LEU HBy 1.0 1.8 2.8 8 4 A 462 ALA HB% A 462 ALA H 1.0 1.8 2.8 9 5 A 457 LEU H A 460 ALA H 1.0 1.8 5.0 10 5 A 462 ALA H A 460 ALA H 1.0 1.8 5.0 11 6 A 465 LEU H A 463 PHE H 1.0 1.8 3.4 12 6 A 462 ALA H A 463 PHE H 1.0 1.8 3.4 13 7 A 457 LEU H A 458 ARG H 1.0 1.8 5.0 14 8 A 464 SER H A 464 SER HBx 1.0 1.8 2.8 15 8 A 456 GLY H A 455 GLY HAy 1.0 1.8 2.8 16 8 A 455 GLY HAx A 456 GLY H 1.0 1.8 2.8 17 8 A 464 SER HBy A 464 SER H 1.0 1.8 2.8 18 9 A 462 ALA H A 458 ARG HA 1.0 1.8 6.0 19 9 A 457 LEU H A 458 ARG HA 1.0 1.8 6.0 20 10 A 457 LEU HA A 456 GLY H 1.0 1.8 5.0 21 10 A 465 LEU HA A 464 SER H 1.0 1.8 5.0 22 11 A 458 ARG H A 459 GLY HAy 1.0 1.8 5.0 23 11 A 458 ARG H A 455 GLY HAy 1.0 1.8 5.0 24 11 A 458 ARG H A 455 GLY HAx 1.0 1.8 5.0 25 11 A 458 ARG H A 459 GLY HAx 1.0 1.8 5.0 26 12 A 463 PHE H A 459 GLY HAy 1.0 1.8 3.4 27 12 A 463 PHE H A 459 GLY HAx 1.0 1.8 3.4 28 12 A 463 PHE H A 462 ALA HA 1.0 1.8 3.4 29 13 A 451 ILE HA A 456 GLY HAy 1.0 1.8 5.0 30 13 A 451 ILE HA A 456 GLY HAx 1.0 1.8 5.0 31 14 A 460 ALA HB% A 458 ARG HH1% 1.0 1.8 5.0 32 14 A 460 ALA HB% A 458 ARG HH2% 1.0 1.8 5.0 33 15 A 457 LEU HBx A 458 ARG HH1% 1.0 1.8 5.0 34 15 A 457 LEU HBy A 458 ARG HH2% 1.0 1.8 5.0 35 15 A 457 LEU HBy A 454 TYR HD% 1.0 1.8 5.0 36 15 A 457 LEU HBy A 458 ARG HH1% 1.0 1.8 5.0 37 15 A 454 TYR HD% A 457 LEU HBx 1.0 1.8 5.0 38 15 A 458 ARG HH2% A 457 LEU HBx 1.0 1.8 5.0 39 16 A 468 LEU HG A 467 TYR HD% 1.0 1.8 3.4 40 17 A 462 ALA H A 463 PHE HBy 1.0 1.8 6.0 41 17 A 465 LEU H A 463 PHE HBy 1.0 1.8 6.0 42 17 A 462 ALA H A 463 PHE HBx 1.0 1.8 6.0 43 17 A 465 LEU H A 463 PHE HBx 1.0 1.8 6.0 44 18 A 456 GLY H A 458 ARG HDx 1.0 1.8 5.0 45 18 A 456 GLY H A 458 ARG HDy 1.0 1.8 5.0 46 19 A 457 LEU H A 461 ILE HB 1.0 1.8 3.4 47 19 A 465 LEU H A 461 ILE HB 1.0 1.8 3.4 48 19 A 462 ALA H A 461 ILE HB 1.0 1.8 3.4 49 20 A 460 ALA HB% A 463 PHE HE% 1.0 1.8 5.0 50 21 A 457 LEU H A 458 ARG HBx 1.0 1.8 5.0 51 21 A 462 ALA H A 458 ARG HBx 1.0 1.8 5.0 52 21 A 462 ALA H A 458 ARG HBy 1.0 1.8 5.0 53 21 A 457 LEU H A 458 ARG HBy 1.0 1.8 5.0 54 22 A 471 LYS H A 472 LYS HBx 1.0 1.8 5.0 55 22 A 472 LYS HBy A 471 LYS H 1.0 1.8 5.0 56 22 A 452 ILE HB A 453 ALA H 1.0 1.8 5.0 57 23 A 464 SER H A 465 LEU HDx% 1.0 1.8 5.0 58 23 A 456 GLY H A 452 ILE HG2% 1.0 1.8 5.0 59 23 A 464 SER H A 465 LEU HDy% 1.0 1.8 5.0 60 24 A 464 SER H A 465 LEU HDx% 1.0 1.8 5.0 61 24 A 464 SER H A 465 LEU HDy% 1.0 1.8 5.0 62 25 A 462 ALA H A 461 ILE HG12 1.0 1.8 5.0 63 25 A 462 ALA H A 461 ILE HG13 1.0 1.8 5.0 64 26 A 471 LYS H A 468 LEU HDx% 1.0 1.8 6.0 65 26 A 453 ALA H A 457 LEU HDx% 1.0 1.8 6.0 66 26 A 453 ALA H A 457 LEU HDy% 1.0 1.8 6.0 67 26 A 471 LYS H A 468 LEU HDy% 1.0 1.8 6.0 68 27 A 466 GLY H A 465 LEU HDx% 1.0 1.8 3.4 69 27 A 465 LEU HDy% A 466 GLY H 1.0 1.8 3.4 70 27 A 451 ILE HD1% A 451 ILE H 1.0 1.8 3.4 71 28 A 468 LEU H A 469 LEU HDx% 1.0 1.8 5.0 72 28 A 466 GLY H A 465 LEU HDx% 1.0 1.8 5.0 73 28 A 469 LEU HDy% A 468 LEU H 1.0 1.8 5.0 74 28 A 465 LEU HDy% A 466 GLY H 1.0 1.8 5.0 75 29 A 466 GLY H A 469 LEU HG 1.0 1.8 5.0 76 29 A 468 LEU H A 469 LEU HG 1.0 1.8 5.0 77 30 A 458 ARG HBy A 459 GLY HAy 1.0 1.8 5.0 78 30 A 455 GLY HAx A 458 ARG HBy 1.0 1.8 5.0 79 30 A 455 GLY HAy A 458 ARG HBx 1.0 1.8 5.0 80 30 A 459 GLY HAx A 458 ARG HBy 1.0 1.8 5.0 81 30 A 462 ALA HA A 458 ARG HBx 1.0 1.8 5.0 82 30 A 458 ARG HBx A 459 GLY HAy 1.0 1.8 5.0 83 30 A 458 ARG HBy A 455 GLY HAy 1.0 1.8 5.0 84 30 A 455 GLY HAx A 458 ARG HBx 1.0 1.8 5.0 85 30 A 462 ALA HA A 458 ARG HBy 1.0 1.8 5.0 86 30 A 459 GLY HAx A 458 ARG HBx 1.0 1.8 5.0 87 31 A 457 LEU HA A 454 TYR HA 1.0 1.8 5.0 88 31 A 453 ALA HA A 454 TYR HA 1.0 1.8 5.0 89 32 A 464 SER HA A 463 PHE HA 1.0 1.8 5.0 90 32 A 462 ALA HA A 463 PHE HA 1.0 1.8 5.0 91 33 A 449 GLN HA A 452 ILE HG12 1.0 1.8 5.0 92 33 A 452 ILE HG13 A 449 GLN HA 1.0 1.8 5.0 93 33 A 453 ALA HA A 452 ILE HG13 1.0 1.8 5.0 94 33 A 453 ALA HA A 452 ILE HG12 1.0 1.8 5.0 95 34 A 455 GLY HAx A 458 ARG HDy 1.0 1.8 6.0 96 34 A 458 ARG HDy A 459 GLY HAy 1.0 1.8 6.0 97 34 A 455 GLY HAx A 458 ARG HDx 1.0 1.8 6.0 98 34 A 458 ARG HDx A 459 GLY HAy 1.0 1.8 6.0 99 34 A 459 GLY HAx A 458 ARG HDy 1.0 1.8 6.0 100 34 A 458 ARG HDy A 455 GLY HAy 1.0 1.8 6.0 101 34 A 455 GLY HAy A 458 ARG HDx 1.0 1.8 6.0 102 34 A 459 GLY HAx A 458 ARG HDx 1.0 1.8 6.0 103 35 A 451 ILE HG2% A 450 PHE HBx 1.0 1.8 6.0 104 35 A 461 ILE HG2% A 458 ARG HDx 1.0 1.8 6.0 105 35 A 458 ARG HDy A 461 ILE HG2% 1.0 1.8 6.0 106 35 A 451 ILE HG2% A 450 PHE HBy 1.0 1.8 6.0 107 36 A 454 TYR HBx A 455 GLY HAy 1.0 1.8 5.0 108 36 A 454 TYR HBy A 455 GLY HAy 1.0 1.8 5.0 109 36 A 451 ILE HA A 454 TYR HBx 1.0 1.8 5.0 110 36 A 451 ILE HA A 454 TYR HBy 1.0 1.8 5.0 111 36 A 455 GLY HAx A 454 TYR HBx 1.0 1.8 5.0 112 36 A 455 GLY HAx A 454 TYR HBy 1.0 1.8 5.0 113 37 A 454 TYR HBx A 455 GLY HAy 1.0 1.8 5.0 114 37 A 467 TYR HBx A 464 SER HBx 1.0 1.8 5.0 115 37 A 464 SER HBy A 467 TYR HBx 1.0 1.8 5.0 116 37 A 464 SER HBy A 467 TYR HBy 1.0 1.8 5.0 117 37 A 454 TYR HBy A 455 GLY HAy 1.0 1.8 5.0 118 37 A 455 GLY HAx A 454 TYR HBx 1.0 1.8 5.0 119 37 A 464 SER HBx A 467 TYR HBy 1.0 1.8 5.0 120 37 A 455 GLY HAx A 454 TYR HBy 1.0 1.8 5.0 121 38 A 462 ALA HA A 463 PHE HBy 1.0 1.8 5.0 122 38 A 464 SER HA A 463 PHE HBy 1.0 1.8 5.0 123 38 A 462 ALA HA A 463 PHE HBx 1.0 1.8 5.0 124 38 A 464 SER HA A 463 PHE HBx 1.0 1.8 5.0 125 39 A 458 ARG HGy A 459 GLY HAy 1.0 1.8 6.0 126 39 A 459 GLY HAx A 458 ARG HGx 1.0 1.8 6.0 127 39 A 459 GLY HAx A 458 ARG HGy 1.0 1.8 6.0 128 39 A 462 ALA HA A 458 ARG HGx 1.0 1.8 6.0 129 39 A 462 ALA HA A 458 ARG HGy 1.0 1.8 6.0 130 39 A 458 ARG HGx A 459 GLY HAy 1.0 1.8 6.0 131 40 A 462 ALA HA A 465 LEU HDx% 1.0 1.8 3.4 132 40 A 462 ALA HA A 465 LEU HDy% 1.0 1.8 3.4 133 41 A 467 TYR HA A 470 ASP HBx 1.0 1.8 2.8 134 41 A 470 ASP HBy A 467 TYR HA 1.0 1.8 2.8 135 42 A 471 LYS HA A 472 LYS HGx 1.0 1.8 5.0 136 42 A 469 LEU HA A 472 LYS HGx 1.0 1.8 5.0 137 42 A 472 LYS HGy A 469 LEU HA 1.0 1.8 5.0 138 42 A 472 LYS HGy A 471 LYS HA 1.0 1.8 5.0 139 43 A 468 LEU HA A 469 LEU HDx% 1.0 1.8 6.0 140 43 A 469 LEU HDy% A 468 LEU HA 1.0 1.8 6.0 141 44 A 468 LEU HG A 468 LEU HBx 1.0 1.8 2.8 142 44 A 465 LEU HG A 465 LEU HBx 1.0 1.8 2.8 143 44 A 468 LEU HG A 468 LEU HBy 1.0 1.8 2.8 144 44 A 465 LEU HBy A 465 LEU HG 1.0 1.8 2.8 145 45 A 465 LEU HBx A 465 LEU HDx% 1.0 1.8 2.8 146 45 A 465 LEU HBy A 465 LEU HDx% 1.0 1.8 2.8 147 45 A 465 LEU HDy% A 465 LEU HBx 1.0 1.8 2.8 148 45 A 465 LEU HDy% A 465 LEU HBy 1.0 1.8 2.8 149 46 A 467 TYR HA A 470 ASP HA 1.0 1.8 5.0 150 46 A 471 LYS HA A 470 ASP HA 1.0 1.8 5.0 151 46 A 469 LEU HA A 470 ASP HA 1.0 1.8 5.0 152 47 A 471 LYS HA A 471 LYS HEx 1.0 1.8 5.0 153 47 A 471 LYS HA A 471 LYS HEy 1.0 1.8 5.0 154 48 A 461 ILE HD1% A 461 ILE HG12 1.0 1.8 2.8 155 48 A 461 ILE HG13 A 461 ILE HD1% 1.0 1.8 2.8 156 49 A 447 LYS HA A 447 LYS HBx 1.0 1.8 2.8 157 49 A 447 LYS HBy A 447 LYS HA 1.0 1.8 2.8 158 50 A 447 LYS HA A 447 LYS HDx 1.0 1.8 5.0 159 50 A 447 LYS HA A 447 LYS HDy 1.0 1.8 5.0 160 51 A 447 LYS HBx A 447 LYS HDx 1.0 1.8 2.8 161 51 A 447 LYS HBy A 447 LYS HDx 1.0 1.8 2.8 162 51 A 447 LYS HDy A 447 LYS HBx 1.0 1.8 2.8 163 51 A 447 LYS HBy A 447 LYS HDy 1.0 1.8 2.8 164 52 A 447 LYS HBx A 447 LYS HEx 1.0 1.8 5.0 165 52 A 447 LYS HBy A 447 LYS HEx 1.0 1.8 5.0 166 52 A 447 LYS HEy A 447 LYS HBx 1.0 1.8 5.0 167 52 A 447 LYS HBy A 447 LYS HEy 1.0 1.8 5.0 168 53 A 447 LYS HDy A 447 LYS HEx 1.0 1.8 2.8 169 53 A 447 LYS HDx A 447 LYS HEx 1.0 1.8 2.8 170 53 A 447 LYS HEy A 447 LYS HDx 1.0 1.8 2.8 171 53 A 447 LYS HDy A 447 LYS HEy 1.0 1.8 2.8 172 54 A 447 LYS HA A 447 LYS HGx 1.0 1.8 3.4 173 54 A 447 LYS HA A 447 LYS HGy 1.0 1.8 3.4 174 55 A 447 LYS HBy A 447 LYS HGx 1.0 1.8 2.8 175 55 A 447 LYS HBx A 447 LYS HGx 1.0 1.8 2.8 176 55 A 447 LYS HGy A 447 LYS HBx 1.0 1.8 2.8 177 55 A 447 LYS HBy A 447 LYS HGy 1.0 1.8 2.8 178 56 A 447 LYS HDx A 447 LYS HGx 1.0 1.8 2.8 179 56 A 447 LYS HDy A 447 LYS HGx 1.0 1.8 2.8 180 56 A 447 LYS HGy A 447 LYS HDx 1.0 1.8 2.8 181 56 A 447 LYS HDy A 447 LYS HGy 1.0 1.8 2.8 182 57 A 447 LYS HEy A 447 LYS HGx 1.0 1.8 3.4 183 57 A 447 LYS HEx A 447 LYS HGx 1.0 1.8 3.4 184 57 A 447 LYS HGy A 447 LYS HEx 1.0 1.8 3.4 185 57 A 447 LYS HEy A 447 LYS HGy 1.0 1.8 3.4 186 58 A 447 LYS HA A 447 LYS H 1.0 1.8 3.4 187 59 A 447 LYS H A 447 LYS HBx 1.0 1.8 2.8 188 59 A 447 LYS HBy A 447 LYS H 1.0 1.8 2.8 189 60 A 447 LYS H A 447 LYS HDx 1.0 1.8 5.0 190 60 A 447 LYS HDy A 447 LYS H 1.0 1.8 5.0 191 61 A 447 LYS H A 447 LYS HEx 1.0 1.8 5.0 192 61 A 447 LYS HEy A 447 LYS H 1.0 1.8 5.0 193 62 A 447 LYS H A 447 LYS HGx 1.0 1.8 5.0 194 62 A 447 LYS HGy A 447 LYS H 1.0 1.8 5.0 195 63 A 448 ASP HA A 447 LYS HBx 1.0 1.8 5.0 196 63 A 447 LYS HBy A 448 ASP HA 1.0 1.8 5.0 197 64 A 447 LYS H A 448 ASP HA 1.0 1.8 5.0 198 65 A 447 LYS HA A 448 ASP H 1.0 1.8 5.0 199 66 A 448 ASP H A 447 LYS HBx 1.0 1.8 2.8 200 66 A 447 LYS HBy A 448 ASP H 1.0 1.8 2.8 201 67 A 448 ASP H A 447 LYS HEx 1.0 1.8 5.0 202 67 A 447 LYS HEy A 448 ASP H 1.0 1.8 5.0 203 68 A 448 ASP H A 447 LYS HGx 1.0 1.8 5.0 204 68 A 447 LYS HGy A 448 ASP H 1.0 1.8 5.0 205 69 A 447 LYS H A 448 ASP H 1.0 1.8 2.8 206 70 A 448 ASP HA A 448 ASP HBx 1.0 1.8 2.8 207 70 A 448 ASP HA A 448 ASP HBy 1.0 1.8 2.8 208 71 A 448 ASP HA A 448 ASP H 1.0 1.8 3.4 209 72 A 448 ASP H A 448 ASP HBx 1.0 1.8 3.4 210 72 A 448 ASP H A 448 ASP HBy 1.0 1.8 3.4 211 73 A 447 LYS H A 449 GLN H 1.0 1.8 5.0 212 74 A 448 ASP HA A 449 GLN HBx 1.0 1.8 6.0 213 74 A 448 ASP HA A 449 GLN HBy 1.0 1.8 6.0 214 75 A 448 ASP H A 449 GLN HBx 1.0 1.8 5.0 215 75 A 448 ASP H A 449 GLN HBy 1.0 1.8 5.0 216 76 A 448 ASP H A 449 GLN HGx 1.0 1.8 5.0 217 76 A 448 ASP H A 449 GLN HGy 1.0 1.8 5.0 218 77 A 448 ASP HA A 449 GLN H 1.0 1.8 5.0 219 78 A 449 GLN H A 448 ASP HBx 1.0 1.8 5.0 220 78 A 448 ASP HBy A 449 GLN H 1.0 1.8 5.0 221 79 A 448 ASP H A 449 GLN H 1.0 1.8 2.8 222 80 A 449 GLN HA A 449 GLN HBx 1.0 1.8 2.8 223 80 A 449 GLN HA A 449 GLN HBy 1.0 1.8 2.8 224 81 A 449 GLN HBx A 449 GLN HE2x 1.0 1.8 5.0 225 81 A 449 GLN HBy A 449 GLN HE2x 1.0 1.8 5.0 226 81 A 449 GLN HE2y A 449 GLN HBx 1.0 1.8 5.0 227 81 A 449 GLN HBy A 449 GLN HE2y 1.0 1.8 5.0 228 82 A 449 GLN HBx A 449 GLN HE2x 1.0 1.8 5.0 229 82 A 449 GLN HBy A 449 GLN HE2x 1.0 1.8 5.0 230 82 A 449 GLN HE2y A 449 GLN HBx 1.0 1.8 5.0 231 82 A 449 GLN HBy A 449 GLN HE2y 1.0 1.8 5.0 232 83 A 449 GLN HA A 449 GLN HGx 1.0 1.8 2.8 233 83 A 449 GLN HA A 449 GLN HGy 1.0 1.8 2.8 234 84 A 449 GLN HBy A 449 GLN HGx 1.0 1.8 2.8 235 84 A 449 GLN HBx A 449 GLN HGx 1.0 1.8 2.8 236 84 A 449 GLN HGy A 449 GLN HBx 1.0 1.8 2.8 237 84 A 449 GLN HBy A 449 GLN HGy 1.0 1.8 2.8 238 85 A 449 GLN HE2x A 449 GLN HGx 1.0 1.8 3.4 239 85 A 449 GLN HGy A 449 GLN HE2x 1.0 1.8 3.4 240 85 A 449 GLN HGy A 449 GLN HE2y 1.0 1.8 3.4 241 85 A 449 GLN HE2y A 449 GLN HGx 1.0 1.8 3.4 242 86 A 449 GLN HE2x A 449 GLN HGx 1.0 1.8 3.4 243 86 A 449 GLN HGy A 449 GLN HE2x 1.0 1.8 3.4 244 86 A 449 GLN HGy A 449 GLN HE2y 1.0 1.8 3.4 245 86 A 449 GLN HE2y A 449 GLN HGx 1.0 1.8 3.4 246 87 A 449 GLN HA A 449 GLN H 1.0 1.8 3.4 247 88 A 449 GLN H A 449 GLN HBx 1.0 1.8 2.8 248 88 A 449 GLN H A 449 GLN HBy 1.0 1.8 2.8 249 89 A 449 GLN H A 449 GLN HGx 1.0 1.8 3.4 250 89 A 449 GLN H A 449 GLN HGy 1.0 1.8 3.4 251 90 A 447 LYS HA A 450 PHE HA 1.0 1.8 6.0 252 91 A 447 LYS HA A 450 PHE HBx 1.0 1.8 3.4 253 91 A 450 PHE HBy A 447 LYS HA 1.0 1.8 3.4 254 92 A 447 LYS HA A 450 PHE HD% 1.0 1.8 3.4 255 93 A 450 PHE HD% A 447 LYS HBx 1.0 1.8 5.0 256 93 A 447 LYS HBy A 450 PHE HD% 1.0 1.8 5.0 257 94 A 447 LYS H A 450 PHE H 1.0 1.8 5.0 258 95 A 448 ASP HA A 450 PHE H 1.0 1.8 5.0 259 96 A 448 ASP H A 450 PHE H 1.0 1.8 5.0 260 97 A 449 GLN HA A 450 PHE HA 1.0 1.8 5.0 261 98 A 450 PHE HA A 449 GLN HBx 1.0 1.8 5.0 262 98 A 449 GLN HBy A 450 PHE HA 1.0 1.8 5.0 263 99 A 449 GLN H A 450 PHE HA 1.0 1.8 6.0 264 100 A 449 GLN HBx A 450 PHE HBx 1.0 1.8 5.0 265 100 A 449 GLN HBy A 450 PHE HBx 1.0 1.8 5.0 266 100 A 450 PHE HBy A 449 GLN HBx 1.0 1.8 5.0 267 100 A 450 PHE HBy A 449 GLN HBy 1.0 1.8 5.0 268 101 A 449 GLN H A 450 PHE HBx 1.0 1.8 5.0 269 101 A 450 PHE HBy A 449 GLN H 1.0 1.8 5.0 270 102 A 450 PHE HD% A 449 GLN HBx 1.0 1.8 6.0 271 102 A 449 GLN HBy A 450 PHE HD% 1.0 1.8 6.0 272 103 A 449 GLN H A 450 PHE HD% 1.0 1.8 5.0 273 104 A 449 GLN HA A 450 PHE H 1.0 1.8 3.4 274 105 A 450 PHE H A 449 GLN HBx 1.0 1.8 5.0 275 105 A 449 GLN HBy A 450 PHE H 1.0 1.8 5.0 276 106 A 450 PHE H A 449 GLN HGx 1.0 1.8 5.0 277 106 A 449 GLN HGy A 450 PHE H 1.0 1.8 5.0 278 107 A 449 GLN H A 450 PHE H 1.0 1.8 2.8 279 108 A 450 PHE HA A 450 PHE HBx 1.0 1.8 2.8 280 108 A 450 PHE HBy A 450 PHE HA 1.0 1.8 2.8 281 109 A 450 PHE HA A 450 PHE HD% 1.0 1.8 3.4 282 110 A 450 PHE HD% A 450 PHE HBx 1.0 1.8 2.8 283 110 A 450 PHE HBy A 450 PHE HD% 1.0 1.8 2.8 284 111 A 450 PHE HA A 450 PHE H 1.0 1.8 3.4 285 112 A 450 PHE H A 450 PHE HBx 1.0 1.8 2.8 286 112 A 450 PHE HBy A 450 PHE H 1.0 1.8 2.8 287 113 A 450 PHE HD% A 450 PHE H 1.0 1.8 5.0 288 114 A 451 ILE HD1% A 447 LYS HEx 1.0 1.8 3.4 289 114 A 451 ILE HD1% A 447 LYS HEy 1.0 1.8 3.4 290 115 A 448 ASP HA A 451 ILE HB 1.0 1.8 3.4 291 116 A 451 ILE HD1% A 448 ASP HA 1.0 1.8 3.4 292 117 A 451 ILE HD1% A 448 ASP H 1.0 1.8 5.0 293 118 A 448 ASP HA A 451 ILE HG12 1.0 1.8 5.0 294 118 A 448 ASP HA A 451 ILE HG13 1.0 1.8 5.0 295 119 A 451 ILE H A 448 ASP HA 1.0 1.8 5.0 296 120 A 451 ILE H A 448 ASP H 1.0 1.8 6.0 297 121 A 451 ILE H A 449 GLN H 1.0 1.8 5.0 298 122 A 451 ILE HA A 450 PHE HA 1.0 1.8 5.0 299 123 A 451 ILE HA A 450 PHE HD% 1.0 1.8 6.0 300 124 A 451 ILE HA A 450 PHE H 1.0 1.8 5.0 301 125 A 450 PHE HA A 451 ILE HB 1.0 1.8 6.0 302 126 A 450 PHE H A 451 ILE HB 1.0 1.8 5.0 303 127 A 451 ILE HD1% A 450 PHE HBx 1.0 1.8 5.0 304 127 A 451 ILE HD1% A 450 PHE HBy 1.0 1.8 5.0 305 128 A 451 ILE HD1% A 450 PHE HD% 1.0 1.8 5.0 306 129 A 450 PHE HD% A 451 ILE HG12 1.0 1.8 5.0 307 129 A 450 PHE HD% A 451 ILE HG13 1.0 1.8 5.0 308 130 A 450 PHE H A 451 ILE HG12 1.0 1.8 5.0 309 130 A 450 PHE H A 451 ILE HG13 1.0 1.8 5.0 310 131 A 450 PHE HD% A 451 ILE HG12 1.0 1.8 5.0 311 131 A 450 PHE HD% A 451 ILE HG13 1.0 1.8 5.0 312 132 A 450 PHE H A 451 ILE HG12 1.0 1.8 5.0 313 132 A 450 PHE H A 451 ILE HG13 1.0 1.8 5.0 314 133 A 451 ILE HG2% A 450 PHE H 1.0 1.8 6.0 315 134 A 451 ILE H A 450 PHE HA 1.0 1.8 5.0 316 135 A 451 ILE H A 450 PHE HBx 1.0 1.8 3.4 317 135 A 451 ILE H A 450 PHE HBy 1.0 1.8 3.4 318 136 A 451 ILE H A 450 PHE HD% 1.0 1.8 5.0 319 137 A 451 ILE H A 450 PHE H 1.0 1.8 3.4 320 138 A 451 ILE HA A 451 ILE HB 1.0 1.8 3.4 321 139 A 451 ILE HA A 451 ILE HD1% 1.0 1.8 5.0 322 140 A 451 ILE HD1% A 451 ILE HB 1.0 1.8 2.8 323 141 A 451 ILE HA A 451 ILE HG12 1.0 1.8 3.4 324 141 A 451 ILE HA A 451 ILE HG13 1.0 1.8 3.4 325 142 A 451 ILE HB A 451 ILE HG12 1.0 1.8 2.8 326 142 A 451 ILE HB A 451 ILE HG13 1.0 1.8 2.8 327 143 A 451 ILE HD1% A 451 ILE HG12 1.0 1.8 2.8 328 143 A 451 ILE HD1% A 451 ILE HG13 1.0 1.8 2.8 329 144 A 451 ILE HB A 451 ILE HG12 1.0 1.8 3.4 330 144 A 451 ILE HB A 451 ILE HG13 1.0 1.8 3.4 331 145 A 451 ILE HD1% A 451 ILE HG12 1.0 1.8 2.8 332 145 A 451 ILE HD1% A 451 ILE HG13 1.0 1.8 2.8 333 146 A 451 ILE HG2% A 451 ILE HB 1.0 1.8 2.8 334 147 A 451 ILE HG2% A 451 ILE HG12 1.0 1.8 2.8 335 147 A 451 ILE HG2% A 451 ILE HG13 1.0 1.8 2.8 336 148 A 451 ILE HA A 451 ILE H 1.0 1.8 3.4 337 149 A 451 ILE H A 451 ILE HB 1.0 1.8 2.8 338 150 A 451 ILE H A 451 ILE HG12 1.0 1.8 3.4 339 150 A 451 ILE H A 451 ILE HG13 1.0 1.8 3.4 340 151 A 451 ILE H A 451 ILE HG12 1.0 1.8 3.4 341 151 A 451 ILE H A 451 ILE HG13 1.0 1.8 3.4 342 152 A 451 ILE HG2% A 451 ILE H 1.0 1.8 5.0 343 153 A 452 ILE HD1% A 449 GLN HE2x 1.0 1.8 5.0 344 153 A 449 GLN HE2y A 452 ILE HD1% 1.0 1.8 5.0 345 154 A 452 ILE HD1% A 449 GLN HGx 1.0 1.8 5.0 346 154 A 449 GLN HGy A 452 ILE HD1% 1.0 1.8 5.0 347 155 A 452 ILE HG2% A 449 GLN HGx 1.0 1.8 5.0 348 155 A 452 ILE HG2% A 449 GLN HGy 1.0 1.8 5.0 349 156 A 452 ILE HG2% A 450 PHE H 1.0 1.8 6.0 350 157 A 450 PHE HA A 452 ILE H 1.0 1.8 5.0 351 158 A 450 PHE H A 452 ILE H 1.0 1.8 5.0 352 159 A 451 ILE HB A 452 ILE HA 1.0 1.8 5.0 353 160 A 451 ILE HA A 452 ILE H 1.0 1.8 5.0 354 161 A 451 ILE HB A 452 ILE H 1.0 1.8 3.4 355 162 A 452 ILE H A 451 ILE HG12 1.0 1.8 5.0 356 162 A 451 ILE HG13 A 452 ILE H 1.0 1.8 5.0 357 163 A 451 ILE HG2% A 452 ILE H 1.0 1.8 3.4 358 164 A 451 ILE H A 452 ILE H 1.0 1.8 3.4 359 165 A 452 ILE HB A 452 ILE HA 1.0 1.8 3.4 360 166 A 452 ILE HD1% A 452 ILE HA 1.0 1.8 5.0 361 167 A 452 ILE HA A 452 ILE HG12 1.0 1.8 3.4 362 167 A 452 ILE HG13 A 452 ILE HA 1.0 1.8 3.4 363 168 A 452 ILE HB A 452 ILE HG12 1.0 1.8 3.4 364 168 A 452 ILE HB A 452 ILE HG13 1.0 1.8 3.4 365 169 A 452 ILE HB A 452 ILE HG12 1.0 1.8 2.8 366 169 A 452 ILE HB A 452 ILE HG13 1.0 1.8 2.8 367 170 A 452 ILE HG2% A 452 ILE HA 1.0 1.8 3.4 368 171 A 452 ILE HB A 452 ILE HG2% 1.0 1.8 2.8 369 172 A 452 ILE HG2% A 452 ILE HG12 1.0 1.8 2.8 370 172 A 452 ILE HG2% A 452 ILE HG13 1.0 1.8 2.8 371 173 A 452 ILE H A 452 ILE HA 1.0 1.8 2.8 372 174 A 452 ILE HB A 452 ILE H 1.0 1.8 5.0 373 175 A 452 ILE HD1% A 452 ILE H 1.0 1.8 5.0 374 176 A 452 ILE H A 452 ILE HG12 1.0 1.8 5.0 375 176 A 452 ILE HG13 A 452 ILE H 1.0 1.8 5.0 376 177 A 452 ILE HG2% A 452 ILE H 1.0 1.8 6.0 377 178 A 453 ALA H A 449 GLN HBx 1.0 1.8 6.0 378 178 A 453 ALA H A 449 GLN HBy 1.0 1.8 6.0 379 179 A 450 PHE HA A 453 ALA HB% 1.0 1.8 3.4 380 180 A 453 ALA HB% A 450 PHE HBx 1.0 1.8 5.0 381 180 A 450 PHE HBy A 453 ALA HB% 1.0 1.8 5.0 382 181 A 450 PHE HD% A 453 ALA HB% 1.0 1.8 5.0 383 182 A 453 ALA H A 450 PHE HA 1.0 1.8 5.0 384 183 A 453 ALA H A 450 PHE H 1.0 1.8 5.0 385 184 A 451 ILE HA A 453 ALA HB% 1.0 1.8 5.0 386 185 A 451 ILE HA A 453 ALA H 1.0 1.8 5.0 387 186 A 453 ALA HA A 452 ILE H 1.0 1.8 6.0 388 187 A 452 ILE HA A 453 ALA HB% 1.0 1.8 5.0 389 188 A 452 ILE HB A 453 ALA HB% 1.0 1.8 6.0 390 189 A 452 ILE H A 453 ALA HB% 1.0 1.8 5.0 391 190 A 453 ALA H A 452 ILE HA 1.0 1.8 5.0 392 191 A 453 ALA H A 452 ILE HG12 1.0 1.8 5.0 393 191 A 453 ALA H A 452 ILE HG13 1.0 1.8 5.0 394 192 A 453 ALA H A 452 ILE HG2% 1.0 1.8 5.0 395 193 A 453 ALA H A 452 ILE H 1.0 1.8 2.8 396 194 A 453 ALA HA A 453 ALA HB% 1.0 1.8 2.8 397 195 A 453 ALA H A 453 ALA HA 1.0 1.8 3.4 398 196 A 453 ALA H A 453 ALA HB% 1.0 1.8 2.8 399 197 A 450 PHE HA A 454 TYR HBy 1.0 1.8 6.0 400 197 A 454 TYR HBx A 450 PHE HA 1.0 1.8 6.0 401 198 A 454 TYR HD% A 450 PHE HA 1.0 1.8 5.0 402 199 A 454 TYR HD% A 450 PHE HD% 1.0 1.8 5.0 403 200 A 450 PHE HA A 454 TYR HE% 1.0 1.8 5.0 404 201 A 454 TYR HE% A 450 PHE HBx 1.0 1.8 5.0 405 201 A 450 PHE HBy A 454 TYR HE% 1.0 1.8 5.0 406 202 A 450 PHE HD% A 454 TYR HE% 1.0 1.8 5.0 407 203 A 450 PHE HA A 454 TYR H 1.0 1.8 5.0 408 204 A 451 ILE HA A 454 TYR HA 1.0 1.8 6.0 409 205 A 451 ILE HG2% A 454 TYR HBy 1.0 1.8 5.0 410 205 A 451 ILE HG2% A 454 TYR HBx 1.0 1.8 5.0 411 206 A 451 ILE HA A 454 TYR HD% 1.0 1.8 5.0 412 207 A 451 ILE HA A 454 TYR H 1.0 1.8 3.4 413 208 A 454 TYR HA A 453 ALA HB% 1.0 1.8 5.0 414 209 A 453 ALA H A 454 TYR HA 1.0 1.8 6.0 415 210 A 453 ALA HA A 454 TYR HBy 1.0 1.8 6.0 416 210 A 453 ALA HA A 454 TYR HBx 1.0 1.8 6.0 417 211 A 453 ALA HB% A 454 TYR HBy 1.0 1.8 5.0 418 211 A 454 TYR HBx A 453 ALA HB% 1.0 1.8 5.0 419 212 A 453 ALA H A 454 TYR HBy 1.0 1.8 5.0 420 212 A 453 ALA H A 454 TYR HBx 1.0 1.8 5.0 421 213 A 453 ALA HB% A 454 TYR HBy 1.0 1.8 5.0 422 213 A 454 TYR HBx A 453 ALA HB% 1.0 1.8 5.0 423 214 A 454 TYR HD% A 453 ALA HA 1.0 1.8 5.0 424 215 A 454 TYR HD% A 453 ALA HB% 1.0 1.8 3.4 425 216 A 454 TYR HD% A 453 ALA H 1.0 1.8 5.0 426 217 A 453 ALA HB% A 454 TYR HE% 1.0 1.8 5.0 427 218 A 453 ALA HB% A 454 TYR H 1.0 1.8 3.4 428 219 A 454 TYR HA A 454 TYR HBy 1.0 1.8 3.4 429 219 A 454 TYR HA A 454 TYR HBx 1.0 1.8 3.4 430 220 A 454 TYR HA A 454 TYR HBy 1.0 1.8 3.4 431 220 A 454 TYR HA A 454 TYR HBx 1.0 1.8 3.4 432 221 A 454 TYR HD% A 454 TYR HA 1.0 1.8 3.4 433 222 A 454 TYR HD% A 454 TYR HBy 1.0 1.8 2.8 434 222 A 454 TYR HD% A 454 TYR HBx 1.0 1.8 2.8 435 223 A 454 TYR HD% A 454 TYR HBy 1.0 1.8 3.4 436 223 A 454 TYR HD% A 454 TYR HBx 1.0 1.8 3.4 437 224 A 454 TYR HA A 454 TYR HE% 1.0 1.8 5.0 438 225 A 454 TYR HE% A 454 TYR HBy 1.0 1.8 5.0 439 225 A 454 TYR HBx A 454 TYR HE% 1.0 1.8 5.0 440 226 A 454 TYR HE% A 454 TYR HBy 1.0 1.8 5.0 441 226 A 454 TYR HBx A 454 TYR HE% 1.0 1.8 5.0 442 227 A 454 TYR HD% A 454 TYR HE% 1.0 1.8 2.8 443 228 A 454 TYR HA A 454 TYR H 1.0 1.8 3.4 444 229 A 454 TYR H A 454 TYR HBy 1.0 1.8 3.4 445 229 A 454 TYR HBx A 454 TYR H 1.0 1.8 3.4 446 230 A 454 TYR H A 454 TYR HBy 1.0 1.8 3.4 447 230 A 454 TYR HBx A 454 TYR H 1.0 1.8 3.4 448 231 A 454 TYR HD% A 454 TYR H 1.0 1.8 3.4 449 232 A 453 ALA HB% A 455 GLY H 1.0 1.8 6.0 450 233 A 454 TYR HA A 455 GLY HAy 1.0 1.8 5.0 451 233 A 455 GLY HAx A 454 TYR HA 1.0 1.8 5.0 452 234 A 454 TYR HD% A 455 GLY HAy 1.0 1.8 6.0 453 234 A 455 GLY HAx A 454 TYR HD% 1.0 1.8 6.0 454 235 A 454 TYR HA A 455 GLY H 1.0 1.8 5.0 455 236 A 455 GLY H A 454 TYR HBy 1.0 1.8 5.0 456 236 A 454 TYR HBx A 455 GLY H 1.0 1.8 5.0 457 237 A 455 GLY H A 454 TYR HBy 1.0 1.8 5.0 458 237 A 454 TYR HBx A 455 GLY H 1.0 1.8 5.0 459 238 A 454 TYR HD% A 455 GLY H 1.0 1.8 5.0 460 239 A 455 GLY H A 455 GLY HAy 1.0 1.8 2.8 461 239 A 455 GLY HAx A 455 GLY H 1.0 1.8 2.8 462 240 A 455 GLY H A 455 GLY HAy 1.0 1.8 2.8 463 240 A 455 GLY HAx A 455 GLY H 1.0 1.8 2.8 464 241 A 456 GLY H A 451 ILE HG12 1.0 1.8 5.0 465 241 A 456 GLY H A 451 ILE HG13 1.0 1.8 5.0 466 242 A 456 GLY H A 452 ILE HA 1.0 1.8 3.4 467 243 A 456 GLY H A 452 ILE HB 1.0 1.8 6.0 468 244 A 456 GLY H A 453 ALA HB% 1.0 1.8 6.0 469 245 A 456 GLY H A 456 GLY HAy 1.0 1.8 2.8 470 245 A 456 GLY H A 456 GLY HAx 1.0 1.8 2.8 471 246 A 456 GLY H A 456 GLY HAy 1.0 1.8 2.8 472 246 A 456 GLY H A 456 GLY HAx 1.0 1.8 2.8 473 247 A 454 TYR HA A 457 LEU HDx% 1.0 1.8 5.0 474 247 A 457 LEU HDy% A 454 TYR HA 1.0 1.8 5.0 475 248 A 454 TYR HD% A 457 LEU HDx% 1.0 1.8 5.0 476 248 A 454 TYR HD% A 457 LEU HDy% 1.0 1.8 5.0 477 249 A 454 TYR H A 457 LEU HDx% 1.0 1.8 6.0 478 249 A 457 LEU HDy% A 454 TYR H 1.0 1.8 6.0 479 250 A 454 TYR HE% A 457 LEU HDx% 1.0 1.8 5.0 480 250 A 457 LEU HDy% A 454 TYR HE% 1.0 1.8 5.0 481 251 A 454 TYR HA A 457 LEU HG 1.0 1.8 6.0 482 252 A 454 TYR HD% A 457 LEU HG 1.0 1.8 5.0 483 253 A 457 LEU HG A 459 GLY HAy 1.0 1.8 6.0 484 253 A 459 GLY HAx A 457 LEU HG 1.0 1.8 6.0 485 254 A 456 GLY H A 457 LEU HDx% 1.0 1.8 6.0 486 254 A 456 GLY H A 457 LEU HDy% 1.0 1.8 6.0 487 255 A 457 LEU H A 456 GLY HAy 1.0 1.8 3.4 488 255 A 457 LEU H A 456 GLY HAx 1.0 1.8 3.4 489 256 A 457 LEU H A 456 GLY HAy 1.0 1.8 3.4 490 256 A 457 LEU H A 456 GLY HAx 1.0 1.8 3.4 491 257 A 457 LEU HA A 457 LEU HDx% 1.0 1.8 3.4 492 257 A 457 LEU HA A 457 LEU HDy% 1.0 1.8 3.4 493 258 A 457 LEU HG A 457 LEU HDx% 1.0 1.8 2.8 494 258 A 457 LEU HDy% A 457 LEU HG 1.0 1.8 2.8 495 259 A 457 LEU HG A 457 LEU HDx% 1.0 1.8 2.8 496 259 A 457 LEU HDy% A 457 LEU HG 1.0 1.8 2.8 497 260 A 457 LEU H A 457 LEU HDx% 1.0 1.8 5.0 498 260 A 457 LEU H A 457 LEU HDy% 1.0 1.8 5.0 499 261 A 457 LEU H A 457 LEU HG 1.0 1.8 5.0 500 262 A 456 GLY H A 458 ARG HBx 1.0 1.8 6.0 501 262 A 456 GLY H A 458 ARG HBy 1.0 1.8 6.0 502 263 A 458 ARG H A 456 GLY HAy 1.0 1.8 5.0 503 263 A 458 ARG H A 456 GLY HAx 1.0 1.8 5.0 504 264 A 458 ARG H A 456 GLY H 1.0 1.8 5.0 505 265 A 458 ARG HA A 457 LEU HDx% 1.0 1.8 5.0 506 265 A 458 ARG HA A 457 LEU HDy% 1.0 1.8 5.0 507 266 A 458 ARG HA A 457 LEU HG 1.0 1.4 5.0 508 267 A 457 LEU HDy% A 458 ARG HBx 1.0 1.8 5.0 509 267 A 457 LEU HDx% A 458 ARG HBx 1.0 1.8 5.0 510 267 A 458 ARG HBy A 457 LEU HDx% 1.0 1.8 5.0 511 267 A 458 ARG HBy A 457 LEU HDy% 1.0 1.8 5.0 512 268 A 457 LEU HA A 458 ARG H 1.0 1.8 5.0 513 269 A 458 ARG H A 457 LEU HDx% 1.0 1.8 5.0 514 269 A 458 ARG H A 457 LEU HDy% 1.0 1.8 5.0 515 270 A 458 ARG H A 457 LEU HDx% 1.0 1.8 5.0 516 270 A 458 ARG H A 457 LEU HDy% 1.0 1.8 5.0 517 271 A 458 ARG H A 457 LEU HG 1.0 1.8 5.0 518 272 A 458 ARG HA A 458 ARG HBx 1.0 1.8 2.8 519 272 A 458 ARG HA A 458 ARG HBy 1.0 1.8 2.8 520 273 A 458 ARG HA A 458 ARG HDx 1.0 1.8 5.0 521 273 A 458 ARG HA A 458 ARG HDy 1.0 1.8 5.0 522 274 A 458 ARG HBx A 458 ARG HDx 1.0 1.8 3.4 523 274 A 458 ARG HBy A 458 ARG HDx 1.0 1.8 3.4 524 274 A 458 ARG HDy A 458 ARG HBx 1.0 1.8 3.4 525 274 A 458 ARG HDy A 458 ARG HBy 1.0 1.8 3.4 526 275 A 458 ARG HA A 458 ARG HE 1.0 1.8 5.0 527 276 A 458 ARG HE A 458 ARG HBx 1.0 1.8 5.0 528 276 A 458 ARG HBy A 458 ARG HE 1.0 1.8 5.0 529 277 A 458 ARG HE A 458 ARG HDx 1.0 1.8 2.8 530 277 A 458 ARG HDy A 458 ARG HE 1.0 1.8 2.8 531 278 A 458 ARG HDx A 458 ARG HGy 1.0 1.8 2.8 532 278 A 458 ARG HGx A 458 ARG HDx 1.0 1.8 2.8 533 278 A 458 ARG HDy A 458 ARG HGx 1.0 1.8 2.8 534 278 A 458 ARG HDy A 458 ARG HGy 1.0 1.8 2.8 535 279 A 458 ARG HE A 458 ARG HGy 1.0 1.8 5.0 536 279 A 458 ARG HGx A 458 ARG HE 1.0 1.8 5.0 537 280 A 458 ARG HA A 458 ARG HGy 1.0 1.8 3.4 538 280 A 458 ARG HA A 458 ARG HGx 1.0 1.8 3.4 539 281 A 458 ARG HBy A 458 ARG HGy 1.0 1.8 2.8 540 281 A 458 ARG HBx A 458 ARG HGy 1.0 1.8 2.8 541 281 A 458 ARG HGx A 458 ARG HBx 1.0 1.8 2.8 542 281 A 458 ARG HBy A 458 ARG HGx 1.0 1.8 2.8 543 282 A 458 ARG HDx A 458 ARG HGy 1.0 1.8 2.8 544 282 A 458 ARG HGx A 458 ARG HDx 1.0 1.8 2.8 545 282 A 458 ARG HDy A 458 ARG HGx 1.0 1.8 2.8 546 282 A 458 ARG HDy A 458 ARG HGy 1.0 1.8 2.8 547 283 A 458 ARG HE A 458 ARG HGy 1.0 1.8 3.4 548 283 A 458 ARG HGx A 458 ARG HE 1.0 1.8 3.4 549 284 A 458 ARG HBy A 458 ARG HH1% 1.0 1.8 5.0 550 284 A 458 ARG HBx A 458 ARG HH1% 1.0 1.8 5.0 551 284 A 458 ARG HH2% A 458 ARG HBx 1.0 1.8 5.0 552 284 A 458 ARG HH2% A 458 ARG HBy 1.0 1.8 5.0 553 285 A 458 ARG HDx A 458 ARG HH1% 1.0 1.8 3.4 554 285 A 458 ARG HDy A 458 ARG HH1% 1.0 1.8 3.4 555 285 A 458 ARG HH2% A 458 ARG HDx 1.0 1.8 3.4 556 285 A 458 ARG HH2% A 458 ARG HDy 1.0 1.8 3.4 557 286 A 458 ARG HE A 458 ARG HH1% 1.0 1.8 5.0 558 286 A 458 ARG HH2% A 458 ARG HE 1.0 1.8 5.0 559 287 A 458 ARG H A 458 ARG HA 1.0 1.8 3.4 560 288 A 458 ARG H A 458 ARG HBx 1.0 1.8 3.4 561 288 A 458 ARG H A 458 ARG HBy 1.0 1.8 3.4 562 289 A 458 ARG H A 458 ARG HDx 1.0 1.8 5.0 563 289 A 458 ARG H A 458 ARG HDy 1.0 1.8 5.0 564 290 A 458 ARG H A 458 ARG HGy 1.0 1.8 5.0 565 290 A 458 ARG H A 458 ARG HGx 1.0 1.8 5.0 566 291 A 458 ARG H A 458 ARG HGy 1.0 1.8 5.0 567 291 A 458 ARG H A 458 ARG HGx 1.0 1.8 5.0 568 292 A 457 LEU HA A 459 GLY H 1.0 1.8 5.0 569 293 A 457 LEU H A 459 GLY H 1.0 1.8 6.0 570 294 A 458 ARG H A 459 GLY HAy 1.0 1.8 5.0 571 294 A 458 ARG H A 459 GLY HAx 1.0 1.8 5.0 572 295 A 458 ARG HA A 459 GLY H 1.0 1.8 5.0 573 296 A 459 GLY H A 458 ARG HBx 1.0 1.8 5.0 574 296 A 458 ARG HBy A 459 GLY H 1.0 1.8 5.0 575 297 A 459 GLY H A 458 ARG HGy 1.0 1.8 5.0 576 297 A 458 ARG HGx A 459 GLY H 1.0 1.8 5.0 577 298 A 458 ARG H A 459 GLY H 1.0 1.8 3.4 578 299 A 459 GLY H A 459 GLY HAy 1.0 1.8 2.8 579 299 A 459 GLY HAx A 459 GLY H 1.0 1.8 2.8 580 300 A 459 GLY H A 459 GLY HAy 1.0 1.8 3.4 581 300 A 459 GLY HAx A 459 GLY H 1.0 1.8 3.4 582 301 A 460 ALA H A 457 LEU HDx% 1.0 1.8 5.0 583 301 A 460 ALA H A 457 LEU HDy% 1.0 1.8 5.0 584 302 A 460 ALA H A 457 LEU HG 1.0 1.8 6.0 585 303 A 458 ARG HA A 460 ALA HB% 1.0 1.8 5.0 586 304 A 460 ALA HB% A 458 ARG HBx 1.0 1.8 6.0 587 304 A 460 ALA HB% A 458 ARG HBy 1.0 1.8 6.0 588 305 A 460 ALA H A 458 ARG HA 1.0 1.8 5.0 589 306 A 460 ALA H A 458 ARG HBx 1.0 1.8 5.0 590 306 A 460 ALA H A 458 ARG HBy 1.0 1.8 5.0 591 307 A 460 ALA H A 458 ARG H 1.0 1.8 5.0 592 308 A 460 ALA HA A 459 GLY HAy 1.0 1.8 5.0 593 308 A 464 SER HA A 460 ALA HA 1.0 1.8 5.0 594 308 A 459 GLY HAx A 460 ALA HA 1.0 1.8 5.0 595 309 A 459 GLY H A 460 ALA HA 1.0 1.8 6.0 596 310 A 460 ALA HB% A 459 GLY H 1.0 1.6 5.0 597 311 A 460 ALA H A 459 GLY HAy 1.0 1.8 3.4 598 311 A 460 ALA H A 459 GLY HAx 1.0 1.8 3.4 599 312 A 460 ALA H A 459 GLY HAy 1.0 1.8 3.4 600 312 A 460 ALA H A 459 GLY HAx 1.0 1.8 3.4 601 313 A 460 ALA H A 459 GLY H 1.0 1.8 3.4 602 314 A 460 ALA HB% A 460 ALA HA 1.0 1.8 2.8 603 315 A 460 ALA H A 460 ALA HA 1.0 1.8 3.4 604 316 A 460 ALA H A 460 ALA HB% 1.0 1.8 2.8 605 317 A 461 ILE HB A 457 LEU HBx 1.0 1.8 5.0 606 317 A 462 ALA HB% A 461 ILE HB 1.0 1.8 5.0 607 317 A 457 LEU HBy A 461 ILE HB 1.0 1.8 5.0 608 318 A 461 ILE HB A 457 LEU HDx% 1.0 1.8 5.0 609 318 A 461 ILE HB A 457 LEU HDy% 1.0 1.8 5.0 610 319 A 461 ILE H A 457 LEU HDx% 1.0 1.8 5.0 611 319 A 457 LEU HDy% A 461 ILE H 1.0 1.8 5.0 612 320 A 461 ILE HA A 461 ILE HG12 1.0 1.8 3.4 613 320 A 461 ILE HG13 A 461 ILE HA 1.0 1.8 3.4 614 321 A 458 ARG HA A 461 ILE HB 1.0 1.8 6.0 615 322 A 458 ARG HA A 461 ILE HD1% 1.0 1.8 5.0 616 323 A 461 ILE HD1% A 458 ARG HH1% 1.0 1.8 5.0 617 323 A 458 ARG HH2% A 461 ILE HD1% 1.0 1.8 5.0 618 324 A 458 ARG H A 461 ILE HD1% 1.0 1.8 6.0 619 325 A 458 ARG HA A 461 ILE HG12 1.0 2.8 6.0 620 325 A 458 ARG HA A 461 ILE HG13 1.0 2.8 6.0 621 326 A 458 ARG HA A 461 ILE H 1.0 1.8 5.0 622 327 A 461 ILE H A 459 GLY HAy 1.0 1.8 5.0 623 327 A 459 GLY HAx A 461 ILE H 1.0 1.8 5.0 624 328 A 459 GLY H A 461 ILE H 1.0 1.8 5.0 625 329 A 461 ILE HA A 465 LEU HBx 1.0 1.8 5.0 626 329 A 465 LEU HBy A 461 ILE HA 1.0 1.8 5.0 627 329 A 460 ALA HB% A 461 ILE HA 1.0 1.8 5.0 628 330 A 460 ALA H A 461 ILE HA 1.0 1.8 6.0 629 331 A 460 ALA H A 461 ILE HB 1.0 1.8 5.0 630 332 A 460 ALA H A 461 ILE HD1% 1.0 1.8 5.0 631 333 A 460 ALA H A 461 ILE HG12 1.0 1.8 6.0 632 333 A 460 ALA H A 461 ILE HG13 1.0 1.8 6.0 633 334 A 461 ILE HG2% A 460 ALA HA 1.0 1.8 6.0 634 335 A 460 ALA H A 461 ILE HG2% 1.0 1.8 6.0 635 336 A 460 ALA HA A 461 ILE H 1.0 1.8 5.0 636 337 A 461 ILE H A 465 LEU HBx 1.0 1.8 3.4 637 337 A 465 LEU HBy A 461 ILE H 1.0 1.8 3.4 638 337 A 460 ALA HB% A 461 ILE H 1.0 1.8 3.4 639 338 A 460 ALA H A 461 ILE H 1.0 1.8 3.4 640 339 A 461 ILE HB A 461 ILE HA 1.0 1.8 3.4 641 340 A 461 ILE HD1% A 461 ILE HA 1.0 1.8 2.8 642 341 A 461 ILE HB A 461 ILE HD1% 1.0 1.8 2.8 643 342 A 461 ILE HA A 461 ILE HG12 1.0 1.8 3.4 644 342 A 461 ILE HG13 A 461 ILE HA 1.0 1.8 3.4 645 343 A 461 ILE HB A 461 ILE HG12 1.0 1.8 3.4 646 343 A 461 ILE HB A 461 ILE HG13 1.0 1.8 3.4 647 344 A 461 ILE HD1% A 461 ILE HG12 1.0 1.8 2.8 648 344 A 461 ILE HG13 A 461 ILE HD1% 1.0 1.8 2.8 649 345 A 461 ILE HB A 461 ILE HG12 1.0 1.8 2.8 650 345 A 461 ILE HB A 461 ILE HG13 1.0 1.8 2.8 651 346 A 461 ILE HG2% A 461 ILE HA 1.0 1.8 2.8 652 347 A 461 ILE HB A 461 ILE HG2% 1.0 1.8 2.8 653 348 A 461 ILE HG2% A 461 ILE HG12 1.0 1.8 2.8 654 348 A 461 ILE HG13 A 461 ILE HG2% 1.0 1.8 2.8 655 349 A 461 ILE HG2% A 461 ILE HG12 1.0 1.8 2.8 656 349 A 461 ILE HG13 A 461 ILE HG2% 1.0 1.8 2.8 657 350 A 461 ILE H A 461 ILE HA 1.0 1.8 3.4 658 351 A 461 ILE HB A 461 ILE H 1.0 1.8 3.4 659 352 A 461 ILE HD1% A 461 ILE H 1.0 1.8 3.4 660 353 A 461 ILE H A 461 ILE HG12 1.0 1.8 5.0 661 353 A 461 ILE HG13 A 461 ILE H 1.0 1.8 5.0 662 354 A 461 ILE HG2% A 461 ILE H 1.0 1.8 5.0 663 355 A 457 LEU H A 458 ARG HGy 1.0 2.8 6.0 664 355 A 462 ALA H A 458 ARG HGy 1.0 2.8 6.0 665 355 A 457 LEU H A 458 ARG HGx 1.0 2.8 6.0 666 355 A 462 ALA H A 458 ARG HGx 1.0 2.8 6.0 667 356 A 459 GLY H A 457 LEU HBx 1.0 1.8 5.0 668 356 A 457 LEU HBy A 459 GLY H 1.0 1.8 5.0 669 357 A 462 ALA H A 459 GLY HAy 1.0 1.8 5.0 670 357 A 462 ALA H A 459 GLY HAx 1.0 1.8 5.0 671 358 A 462 ALA H A 460 ALA HA 1.0 1.8 5.0 672 359 A 464 SER HA A 461 ILE HA 1.0 1.8 5.0 673 359 A 462 ALA HA A 461 ILE HA 1.0 1.8 5.0 674 360 A 462 ALA HA A 461 ILE HB 1.0 1.8 5.0 675 361 A 462 ALA HA A 461 ILE HG12 1.0 2.8 6.0 676 361 A 462 ALA HA A 461 ILE HG13 1.0 2.8 6.0 677 362 A 462 ALA HA A 461 ILE HG2% 1.0 1.8 3.4 678 363 A 462 ALA HB% A 461 ILE HA 1.0 3.4 5.0 679 364 A 465 LEU H A 461 ILE HA 1.0 1.8 5.0 680 364 A 462 ALA H A 461 ILE HA 1.0 1.8 5.0 681 365 A 465 LEU H A 461 ILE HG2% 1.0 1.8 3.4 682 365 A 462 ALA H A 461 ILE HG2% 1.0 1.8 3.4 683 366 A 462 ALA H A 461 ILE H 1.0 1.8 2.8 684 367 A 462 ALA HB% A 462 ALA HA 1.0 1.8 2.8 685 368 A 462 ALA H A 462 ALA HA 1.0 1.8 3.4 686 369 A 460 ALA HA A 463 PHE HBy 1.0 1.8 3.4 687 369 A 463 PHE HBx A 460 ALA HA 1.0 1.8 3.4 688 370 A 460 ALA HA A 463 PHE HBy 1.0 1.8 3.4 689 370 A 463 PHE HBx A 460 ALA HA 1.0 1.8 3.4 690 371 A 460 ALA H A 463 PHE HBy 1.0 1.8 5.0 691 371 A 460 ALA H A 463 PHE HBx 1.0 1.8 5.0 692 372 A 463 PHE HE% A 460 ALA HA 1.0 1.8 5.0 693 373 A 460 ALA HA A 463 PHE HD% 1.0 1.8 3.4 694 374 A 460 ALA HB% A 463 PHE HD% 1.0 1.8 5.0 695 375 A 463 PHE H A 460 ALA HA 1.0 3.4 5.0 696 376 A 460 ALA H A 463 PHE H 1.0 1.8 5.0 697 377 A 463 PHE H A 461 ILE HA 1.0 1.8 5.0 698 378 A 463 PHE H A 461 ILE HB 1.0 1.8 5.0 699 379 A 463 PHE H A 461 ILE HG2% 1.0 1.8 5.0 700 380 A 462 ALA HB% A 463 PHE HA 1.0 1.8 5.0 701 381 A 462 ALA HB% A 463 PHE HBy 1.0 1.8 5.0 702 381 A 462 ALA HB% A 463 PHE HBx 1.0 1.8 5.0 703 382 A 462 ALA HB% A 463 PHE HBy 1.0 1.8 5.0 704 382 A 462 ALA HB% A 463 PHE HBx 1.0 1.8 5.0 705 383 A 464 SER HA A 463 PHE HE% 1.0 1.8 5.0 706 384 A 463 PHE HE% A 464 SER HBx 1.0 1.8 5.0 707 384 A 464 SER HBy A 463 PHE HE% 1.0 1.8 5.0 708 385 A 462 ALA HB% A 463 PHE HD% 1.0 1.8 6.0 709 386 A 462 ALA H A 463 PHE HD% 1.0 1.8 6.0 710 387 A 462 ALA HB% A 463 PHE H 1.0 1.8 2.8 711 388 A 463 PHE HA A 463 PHE HBy 1.0 1.8 2.8 712 388 A 463 PHE HBx A 463 PHE HA 1.0 1.8 2.8 713 389 A 463 PHE HA A 463 PHE HBy 1.0 1.8 3.4 714 389 A 463 PHE HBx A 463 PHE HA 1.0 1.8 3.4 715 390 A 463 PHE HE% A 463 PHE HA 1.0 2.8 6.0 716 391 A 463 PHE HE% A 463 PHE HBy 1.0 1.8 5.0 717 391 A 463 PHE HBx A 463 PHE HE% 1.0 1.8 5.0 718 392 A 463 PHE HE% A 463 PHE HBy 1.0 1.8 5.0 719 392 A 463 PHE HBx A 463 PHE HE% 1.0 1.8 5.0 720 393 A 463 PHE HA A 463 PHE HD% 1.0 1.8 5.0 721 394 A 463 PHE HD% A 463 PHE HBy 1.0 1.8 2.8 722 394 A 463 PHE HBx A 463 PHE HD% 1.0 1.8 2.8 723 395 A 463 PHE HD% A 463 PHE HBy 1.0 1.8 2.8 724 395 A 463 PHE HBx A 463 PHE HD% 1.0 1.8 2.8 725 396 A 463 PHE HE% A 463 PHE HD% 1.0 1.8 2.8 726 397 A 463 PHE H A 463 PHE HA 1.0 1.8 3.4 727 398 A 463 PHE H A 463 PHE HBy 1.0 1.8 3.4 728 398 A 463 PHE H A 463 PHE HBx 1.0 1.8 3.4 729 399 A 463 PHE H A 463 PHE HBy 1.0 1.8 3.4 730 399 A 463 PHE H A 463 PHE HBx 1.0 1.8 3.4 731 400 A 463 PHE H A 463 PHE HE% 1.0 2.8 6.0 732 401 A 463 PHE H A 463 PHE HD% 1.0 1.8 3.4 733 402 A 464 SER H A 460 ALA HA 1.0 1.8 5.0 734 403 A 464 SER H A 461 ILE HA 1.0 1.8 5.0 735 404 A 456 GLY H A 461 ILE HG2% 1.0 1.8 5.0 736 404 A 464 SER H A 461 ILE HG2% 1.0 1.8 5.0 737 405 A 459 GLY HAy A 463 PHE HBy 1.0 1.8 5.0 738 405 A 459 GLY HAx A 463 PHE HBy 1.0 1.8 5.0 739 405 A 463 PHE HBx A 459 GLY HAy 1.0 1.8 5.0 740 405 A 459 GLY HAx A 463 PHE HBx 1.0 1.8 5.0 741 406 A 464 SER HA A 463 PHE HD% 1.0 1.8 5.0 742 407 A 463 PHE HBx A 464 SER HBx 1.0 1.8 5.0 743 407 A 463 PHE HBy A 464 SER HBx 1.0 1.8 5.0 744 407 A 464 SER HBy A 463 PHE HBy 1.0 1.8 5.0 745 407 A 464 SER HBy A 463 PHE HBx 1.0 1.8 5.0 746 408 A 464 SER H A 463 PHE HA 1.0 1.8 5.0 747 409 A 464 SER H A 463 PHE HBy 1.0 1.8 5.0 748 409 A 464 SER H A 463 PHE HBx 1.0 1.8 5.0 749 410 A 464 SER H A 463 PHE HBy 1.0 1.8 3.4 750 410 A 464 SER H A 463 PHE HBx 1.0 1.8 3.4 751 411 A 464 SER H A 463 PHE HE% 1.0 1.8 5.0 752 412 A 464 SER H A 463 PHE HD% 1.0 1.8 3.4 753 413 A 463 PHE H A 464 SER H 1.0 1.8 3.4 754 414 A 464 SER HA A 464 SER H 1.0 1.8 2.8 755 415 A 461 ILE HA A 465 LEU HDx% 1.0 1.8 5.0 756 415 A 465 LEU HDy% A 461 ILE HA 1.0 1.8 5.0 757 416 A 463 PHE HD% A 465 LEU HDx% 1.0 1.8 6.0 758 416 A 465 LEU HDy% A 463 PHE HD% 1.0 1.8 6.0 759 417 A 463 PHE H A 465 LEU HDx% 1.0 1.8 5.0 760 417 A 463 PHE H A 465 LEU HDy% 1.0 1.8 5.0 761 418 A 465 LEU H A 463 PHE HA 1.0 1.8 5.0 762 419 A 465 LEU H A 463 PHE HBy 1.0 1.8 5.0 763 419 A 465 LEU H A 463 PHE HBx 1.0 1.8 5.0 764 420 A 464 SER HA A 465 LEU HDx% 1.0 1.8 5.0 765 420 A 462 ALA HA A 465 LEU HDx% 1.0 1.8 5.0 766 420 A 462 ALA HA A 465 LEU HDy% 1.0 1.8 5.0 767 420 A 464 SER HA A 465 LEU HDy% 1.0 1.8 5.0 768 421 A 462 ALA HA A 465 LEU HG 1.0 1.8 6.0 769 422 A 462 ALA H A 464 SER H 1.0 1.8 3.4 770 422 A 457 LEU H A 456 GLY H 1.0 1.8 3.4 771 422 A 465 LEU H A 464 SER H 1.0 1.8 3.4 772 423 A 465 LEU HA A 465 LEU HBx 1.0 1.8 2.8 773 423 A 465 LEU HA A 465 LEU HBy 1.0 1.8 2.8 774 424 A 465 LEU HA A 465 LEU HDx% 1.0 1.8 3.4 775 424 A 465 LEU HA A 465 LEU HDy% 1.0 1.8 3.4 776 425 A 465 LEU HBx A 465 LEU HDx% 1.0 1.8 2.8 777 425 A 465 LEU HBy A 465 LEU HDx% 1.0 1.8 2.8 778 425 A 465 LEU HDy% A 465 LEU HBx 1.0 1.8 2.8 779 425 A 465 LEU HDy% A 465 LEU HBy 1.0 1.8 2.8 780 426 A 465 LEU HBx A 465 LEU HDx% 1.0 1.8 2.8 781 426 A 465 LEU HBy A 465 LEU HDx% 1.0 1.8 2.8 782 426 A 465 LEU HDy% A 465 LEU HBx 1.0 1.8 2.8 783 426 A 465 LEU HDy% A 465 LEU HBy 1.0 1.8 2.8 784 427 A 465 LEU HBx A 465 LEU HDx% 1.0 1.8 2.8 785 427 A 465 LEU HBy A 465 LEU HDx% 1.0 1.8 2.8 786 427 A 465 LEU HDy% A 465 LEU HBx 1.0 1.8 2.8 787 427 A 465 LEU HDy% A 465 LEU HBy 1.0 1.8 2.8 788 428 A 465 LEU HA A 465 LEU HG 1.0 1.8 5.0 789 429 A 465 LEU HG A 465 LEU HDx% 1.0 1.8 2.8 790 429 A 465 LEU HDy% A 465 LEU HG 1.0 1.8 2.8 791 430 A 465 LEU H A 465 LEU HBx 1.0 1.8 2.8 792 430 A 465 LEU H A 465 LEU HBy 1.0 1.8 2.8 793 431 A 465 LEU H A 465 LEU HDx% 1.0 1.8 2.8 794 431 A 465 LEU H A 465 LEU HDy% 1.0 1.8 2.8 795 432 A 465 LEU H A 465 LEU HDx% 1.0 1.8 2.8 796 432 A 465 LEU H A 465 LEU HDy% 1.0 1.8 2.8 797 433 A 465 LEU H A 465 LEU HG 1.0 1.8 5.0 798 434 A 463 PHE HA A 466 GLY HAy 1.0 1.8 5.0 799 434 A 463 PHE HA A 466 GLY HAx 1.0 1.8 5.0 800 435 A 463 PHE HA A 466 GLY HAy 1.0 1.8 5.0 801 435 A 463 PHE HA A 466 GLY HAx 1.0 1.8 5.0 802 436 A 466 GLY H A 463 PHE HA 1.0 1.8 5.0 803 437 A 464 SER H A 466 GLY H 1.0 1.8 5.0 804 438 A 465 LEU H A 466 GLY HAy 1.0 1.8 5.0 805 438 A 465 LEU H A 466 GLY HAx 1.0 1.8 5.0 806 439 A 465 LEU HDy% A 466 GLY HAx 1.0 1.8 5.0 807 439 A 465 LEU HDy% A 461 ILE HA 1.0 1.8 5.0 808 439 A 465 LEU HDx% A 466 GLY HAy 1.0 1.8 5.0 809 439 A 466 GLY HAx A 465 LEU HDx% 1.0 1.8 5.0 810 439 A 465 LEU HDy% A 466 GLY HAy 1.0 1.8 5.0 811 439 A 461 ILE HA A 465 LEU HDx% 1.0 1.8 5.0 812 440 A 465 LEU HA A 466 GLY H 1.0 1.8 5.0 813 441 A 466 GLY H A 465 LEU HDx% 1.0 1.8 6.0 814 441 A 465 LEU HDy% A 466 GLY H 1.0 1.8 6.0 815 442 A 465 LEU H A 466 GLY H 1.0 1.8 3.4 816 443 A 466 GLY H A 466 GLY HAy 1.0 1.8 2.8 817 443 A 466 GLY H A 466 GLY HAx 1.0 1.8 2.8 818 444 A 466 GLY H A 466 GLY HAy 1.0 1.8 2.8 819 444 A 466 GLY H A 466 GLY HAx 1.0 1.8 2.8 820 445 A 463 PHE HE% A 467 TYR HA 1.0 1.8 5.0 821 446 A 463 PHE HE% A 467 TYR HBy 1.0 1.8 5.0 822 446 A 463 PHE HE% A 467 TYR HBx 1.0 1.8 5.0 823 447 A 463 PHE HD% A 467 TYR HBy 1.0 1.8 5.0 824 447 A 467 TYR HBx A 463 PHE HD% 1.0 1.8 5.0 825 448 A 463 PHE HE% A 467 TYR HBy 1.0 1.8 5.0 826 448 A 463 PHE HE% A 467 TYR HBx 1.0 1.8 5.0 827 449 A 463 PHE HD% A 467 TYR HBy 1.0 1.8 5.0 828 449 A 467 TYR HBx A 463 PHE HD% 1.0 1.8 5.0 829 450 A 467 TYR HD% A 463 PHE HE% 1.0 1.8 3.4 830 451 A 467 TYR HD% A 463 PHE HD% 1.0 1.8 5.0 831 452 A 463 PHE HE% A 467 TYR HE% 1.0 1.8 5.0 832 453 A 463 PHE HA A 467 TYR H 1.0 1.8 5.0 833 454 A 464 SER HA A 467 TYR HBy 1.0 1.8 3.4 834 454 A 464 SER HA A 467 TYR HBx 1.0 1.8 3.4 835 455 A 464 SER HBy A 467 TYR HBy 1.0 1.8 5.0 836 455 A 464 SER HBx A 467 TYR HBy 1.0 1.8 5.0 837 455 A 467 TYR HBx A 464 SER HBx 1.0 1.8 5.0 838 455 A 464 SER HBy A 467 TYR HBx 1.0 1.8 5.0 839 456 A 464 SER HA A 467 TYR HBy 1.0 1.8 3.4 840 456 A 464 SER HA A 467 TYR HBx 1.0 1.8 3.4 841 457 A 464 SER HA A 467 TYR HD% 1.0 1.8 5.0 842 458 A 464 SER HA A 467 TYR H 1.0 1.8 5.0 843 459 A 467 TYR H A 465 LEU HDx% 1.0 1.8 6.0 844 459 A 465 LEU HDy% A 467 TYR H 1.0 1.8 6.0 845 460 A 465 LEU H A 467 TYR H 1.0 1.8 5.0 846 461 A 466 GLY HAy A 467 TYR HBy 1.0 1.8 5.0 847 461 A 466 GLY HAx A 467 TYR HBy 1.0 1.8 5.0 848 461 A 467 TYR HBx A 466 GLY HAy 1.0 1.8 5.0 849 461 A 467 TYR HBx A 466 GLY HAx 1.0 1.8 5.0 850 462 A 467 TYR H A 466 GLY HAy 1.0 1.8 3.4 851 462 A 466 GLY HAx A 467 TYR H 1.0 1.8 3.4 852 463 A 467 TYR H A 466 GLY HAy 1.0 1.8 3.4 853 463 A 466 GLY HAx A 467 TYR H 1.0 1.8 3.4 854 464 A 467 TYR HA A 467 TYR HBy 1.0 1.8 2.8 855 464 A 467 TYR HBx A 467 TYR HA 1.0 1.8 2.8 856 465 A 467 TYR HA A 467 TYR HBy 1.0 1.8 2.8 857 465 A 467 TYR HBx A 467 TYR HA 1.0 1.8 2.8 858 466 A 467 TYR HD% A 467 TYR HA 1.0 1.8 2.8 859 467 A 467 TYR HD% A 467 TYR HBy 1.0 1.8 2.8 860 467 A 467 TYR HD% A 467 TYR HBx 1.0 1.8 2.8 861 468 A 467 TYR HD% A 467 TYR HBy 1.0 1.8 2.8 862 468 A 467 TYR HD% A 467 TYR HBx 1.0 1.8 2.8 863 469 A 467 TYR HA A 467 TYR HE% 1.0 1.8 5.0 864 470 A 467 TYR HE% A 467 TYR HBy 1.0 1.8 5.0 865 470 A 467 TYR HBx A 467 TYR HE% 1.0 1.8 5.0 866 471 A 467 TYR HE% A 467 TYR HBy 1.0 1.8 5.0 867 471 A 467 TYR HBx A 467 TYR HE% 1.0 1.8 5.0 868 472 A 467 TYR HD% A 467 TYR HE% 1.0 1.8 2.8 869 473 A 467 TYR HA A 467 TYR H 1.0 1.8 3.4 870 474 A 467 TYR H A 467 TYR HBy 1.0 1.8 3.4 871 474 A 467 TYR HBx A 467 TYR H 1.0 1.8 3.4 872 475 A 467 TYR H A 467 TYR HBy 1.0 1.8 3.4 873 475 A 467 TYR HBx A 467 TYR H 1.0 1.8 3.4 874 476 A 467 TYR HD% A 467 TYR H 1.0 1.8 5.0 875 477 A 467 TYR HE% A 467 TYR H 1.0 1.8 6.0 876 478 A 464 SER H A 465 LEU HBx 1.0 1.8 6.0 877 478 A 464 SER H A 465 LEU HBy 1.0 1.8 6.0 878 479 A 464 SER HA A 468 LEU H 1.0 1.8 5.0 879 480 A 468 LEU HA A 467 TYR HBy 1.0 1.8 5.0 880 480 A 467 TYR HBx A 468 LEU HA 1.0 1.8 5.0 881 481 A 468 LEU HA A 467 TYR HBy 1.0 1.8 5.0 882 481 A 467 TYR HBx A 468 LEU HA 1.0 1.8 5.0 883 482 A 467 TYR HD% A 468 LEU HA 1.0 1.8 5.0 884 483 A 468 LEU HA A 467 TYR HE% 1.0 1.8 5.0 885 484 A 468 LEU HA A 467 TYR H 1.0 1.8 6.0 886 485 A 467 TYR HBx A 468 LEU HBx 1.0 1.8 5.0 887 485 A 467 TYR HBy A 468 LEU HBx 1.0 1.8 5.0 888 485 A 468 LEU HBy A 467 TYR HBy 1.0 1.8 5.0 889 485 A 467 TYR HBx A 468 LEU HBy 1.0 1.8 5.0 890 486 A 467 TYR HBx A 468 LEU HBx 1.0 1.8 5.0 891 486 A 467 TYR HBy A 468 LEU HBx 1.0 1.8 5.0 892 486 A 468 LEU HBy A 467 TYR HBy 1.0 1.8 5.0 893 486 A 467 TYR HBx A 468 LEU HBy 1.0 1.8 5.0 894 487 A 467 TYR HD% A 468 LEU HBx 1.0 1.8 5.0 895 487 A 467 TYR HD% A 468 LEU HBy 1.0 1.8 5.0 896 488 A 467 TYR HE% A 468 LEU HBx 1.0 1.8 5.0 897 488 A 468 LEU HBy A 467 TYR HE% 1.0 1.8 5.0 898 489 A 467 TYR H A 468 LEU HBx 1.0 1.8 5.0 899 489 A 468 LEU HBy A 467 TYR H 1.0 1.8 5.0 900 490 A 467 TYR HBx A 468 LEU HDx% 1.0 1.8 5.0 901 490 A 467 TYR HBy A 468 LEU HDx% 1.0 1.8 5.0 902 490 A 468 LEU HDy% A 467 TYR HBy 1.0 1.8 5.0 903 490 A 468 LEU HDy% A 467 TYR HBx 1.0 1.8 5.0 904 491 A 467 TYR HD% A 468 LEU HDx% 1.0 1.8 2.8 905 491 A 467 TYR HD% A 468 LEU HDy% 1.0 1.8 2.8 906 492 A 467 TYR HE% A 468 LEU HDx% 1.0 1.8 3.4 907 492 A 468 LEU HDy% A 467 TYR HE% 1.0 1.8 3.4 908 493 A 467 TYR H A 468 LEU HDx% 1.0 1.8 5.0 909 493 A 468 LEU HDy% A 467 TYR H 1.0 1.8 5.0 910 494 A 468 LEU HG A 467 TYR HBy 1.0 1.8 5.0 911 494 A 468 LEU HG A 467 TYR HBx 1.0 1.8 5.0 912 495 A 468 LEU HG A 467 TYR H 1.0 1.8 6.0 913 496 A 468 LEU H A 467 TYR HA 1.0 1.8 5.0 914 497 A 468 LEU H A 467 TYR HBy 1.0 1.8 3.4 915 497 A 468 LEU H A 467 TYR HBx 1.0 1.8 3.4 916 498 A 468 LEU H A 467 TYR HBy 1.0 1.8 3.4 917 498 A 468 LEU H A 467 TYR HBx 1.0 1.8 3.4 918 499 A 467 TYR HD% A 468 LEU H 1.0 1.8 3.4 919 500 A 468 LEU H A 467 TYR HE% 1.0 1.8 5.0 920 501 A 468 LEU H A 467 TYR H 1.0 1.8 2.8 921 502 A 468 LEU HA A 468 LEU HBx 1.0 1.8 2.8 922 502 A 468 LEU HA A 468 LEU HBy 1.0 1.8 2.8 923 503 A 468 LEU HA A 468 LEU HDx% 1.0 1.8 3.4 924 503 A 468 LEU HDy% A 468 LEU HA 1.0 1.8 3.4 925 504 A 468 LEU HBx A 468 LEU HDx% 1.0 1.8 2.8 926 504 A 468 LEU HBy A 468 LEU HDx% 1.0 1.8 2.8 927 504 A 468 LEU HDy% A 468 LEU HBx 1.0 1.8 2.8 928 504 A 468 LEU HDy% A 468 LEU HBy 1.0 1.8 2.8 929 505 A 468 LEU HG A 468 LEU HA 1.0 1.8 2.8 930 506 A 468 LEU HG A 468 LEU HDx% 1.0 1.8 2.8 931 506 A 468 LEU HG A 468 LEU HDy% 1.0 1.8 2.8 932 507 A 468 LEU H A 468 LEU HA 1.0 1.8 2.8 933 508 A 468 LEU H A 468 LEU HBx 1.0 1.8 2.8 934 508 A 468 LEU H A 468 LEU HBy 1.0 1.8 2.8 935 509 A 468 LEU H A 468 LEU HDx% 1.0 1.8 2.8 936 509 A 468 LEU HDy% A 468 LEU H 1.0 1.8 2.8 937 510 A 468 LEU HG A 468 LEU H 1.0 1.8 2.8 938 511 A 469 LEU HG A 466 GLY HAy 1.0 1.8 3.4 939 511 A 469 LEU HG A 466 GLY HAx 1.0 1.8 3.4 940 512 A 469 LEU HG A 466 GLY HAy 1.0 1.8 3.4 941 512 A 469 LEU HG A 466 GLY HAx 1.0 1.8 3.4 942 513 A 469 LEU H A 466 GLY HAy 1.0 1.8 5.0 943 513 A 466 GLY HAx A 469 LEU H 1.0 1.8 5.0 944 514 A 469 LEU H A 467 TYR HBy 1.0 1.8 6.0 945 514 A 467 TYR HBx A 469 LEU H 1.0 1.8 6.0 946 515 A 467 TYR HD% A 469 LEU H 1.0 1.8 6.0 947 516 A 467 TYR H A 469 LEU H 1.0 1.8 5.0 948 517 A 468 LEU HA A 471 LYS HBx 1.0 1.8 3.4 949 517 A 469 LEU HG A 468 LEU HA 1.0 1.8 3.4 950 517 A 468 LEU HA A 471 LYS HBy 1.0 1.8 3.4 951 518 A 468 LEU HA A 469 LEU H 1.0 1.8 5.0 952 519 A 469 LEU H A 468 LEU HDx% 1.0 1.8 5.0 953 519 A 468 LEU HDy% A 469 LEU H 1.0 1.8 5.0 954 520 A 468 LEU H A 469 LEU H 1.0 1.8 3.4 955 521 A 469 LEU HA A 469 LEU HBx 1.0 1.8 2.8 956 521 A 469 LEU HA A 469 LEU HBy 1.0 1.8 2.8 957 522 A 469 LEU HBx A 469 LEU HDx% 1.0 1.8 2.8 958 522 A 469 LEU HDy% A 469 LEU HBx 1.0 1.8 2.8 959 522 A 469 LEU HDy% A 469 LEU HBy 1.0 1.8 2.8 960 522 A 469 LEU HBy A 469 LEU HDx% 1.0 1.8 2.8 961 523 A 469 LEU HA A 469 LEU HDx% 1.0 1.8 3.4 962 523 A 469 LEU HDy% A 469 LEU HA 1.0 1.8 3.4 963 524 A 469 LEU HBy A 469 LEU HDx% 1.0 1.8 2.8 964 524 A 469 LEU HBx A 469 LEU HDx% 1.0 1.8 2.8 965 524 A 469 LEU HDy% A 469 LEU HBx 1.0 1.8 2.8 966 524 A 469 LEU HDy% A 469 LEU HBy 1.0 1.8 2.8 967 525 A 471 LYS HA A 471 LYS HBx 1.0 1.8 2.8 968 525 A 471 LYS HA A 471 LYS HBy 1.0 1.8 2.8 969 525 A 469 LEU HG A 469 LEU HA 1.0 1.8 2.8 970 526 A 469 LEU HG A 469 LEU HBx 1.0 1.8 2.8 971 526 A 469 LEU HG A 469 LEU HBy 1.0 1.8 2.8 972 527 A 469 LEU HG A 469 LEU HDx% 1.0 1.8 2.8 973 527 A 469 LEU HDy% A 469 LEU HG 1.0 1.8 2.8 974 528 A 469 LEU HG A 469 LEU HDx% 1.0 1.8 2.8 975 528 A 469 LEU HDy% A 469 LEU HG 1.0 1.8 2.8 976 529 A 469 LEU HA A 469 LEU H 1.0 1.8 3.4 977 530 A 469 LEU H A 469 LEU HBx 1.0 1.8 3.4 978 530 A 469 LEU H A 469 LEU HBy 1.0 1.8 3.4 979 531 A 469 LEU H A 469 LEU HDx% 1.0 1.8 2.8 980 531 A 469 LEU HDy% A 469 LEU H 1.0 1.8 2.8 981 532 A 469 LEU H A 469 LEU HDx% 1.0 1.8 2.8 982 532 A 469 LEU HDy% A 469 LEU H 1.0 1.8 2.8 983 533 A 469 LEU HG A 469 LEU H 1.0 1.8 2.8 984 534 A 466 GLY HAx A 470 ASP HBx 1.0 1.8 5.0 985 534 A 466 GLY HAy A 470 ASP HBx 1.0 1.8 5.0 986 534 A 470 ASP HBy A 466 GLY HAy 1.0 1.8 5.0 987 534 A 470 ASP HBy A 466 GLY HAx 1.0 1.8 5.0 988 535 A 466 GLY H A 470 ASP HBx 1.0 1.8 5.0 989 535 A 468 LEU H A 470 ASP HBx 1.0 1.8 5.0 990 535 A 468 LEU H A 470 ASP HBy 1.0 1.8 5.0 991 535 A 466 GLY H A 470 ASP HBy 1.0 1.8 5.0 992 536 A 470 ASP H A 466 GLY HAy 1.0 1.8 5.0 993 536 A 466 GLY HAx A 470 ASP H 1.0 1.8 5.0 994 537 A 467 TYR HD% A 470 ASP HBx 1.0 1.8 5.0 995 537 A 467 TYR HD% A 470 ASP HBy 1.0 1.8 5.0 996 538 A 467 TYR HE% A 470 ASP HBx 1.0 1.8 6.0 997 538 A 470 ASP HBy A 467 TYR HE% 1.0 1.8 6.0 998 539 A 467 TYR H A 470 ASP HBx 1.0 1.8 5.0 999 539 A 470 ASP HBy A 467 TYR H 1.0 1.8 5.0 1000 540 A 468 LEU HA A 470 ASP HBx 1.0 1.8 5.0 1001 540 A 470 ASP HBy A 468 LEU HA 1.0 1.8 5.0 1002 541 A 468 LEU HA A 470 ASP H 1.0 1.8 5.0 1003 542 A 470 ASP HA A 469 LEU HBx 1.0 1.8 5.0 1004 542 A 470 ASP HA A 469 LEU HBy 1.0 1.8 5.0 1005 543 A 470 ASP HA A 469 LEU HBx 1.0 1.8 5.0 1006 543 A 470 ASP HA A 469 LEU HBy 1.0 1.8 5.0 1007 544 A 469 LEU HG A 470 ASP HA 1.0 1.8 5.0 1008 545 A 469 LEU HG A 470 ASP HA 1.0 1.8 5.0 1009 546 A 470 ASP HA A 469 LEU H 1.0 1.8 6.0 1010 547 A 469 LEU HBx A 470 ASP HBx 1.0 1.8 5.0 1011 547 A 469 LEU HBy A 470 ASP HBx 1.0 1.8 5.0 1012 547 A 470 ASP HBy A 469 LEU HBx 1.0 1.8 5.0 1013 547 A 470 ASP HBy A 469 LEU HBy 1.0 1.8 5.0 1014 548 A 469 LEU HDy% A 470 ASP HBx 1.0 1.8 5.0 1015 548 A 469 LEU HDx% A 470 ASP HBx 1.0 1.8 5.0 1016 548 A 470 ASP HBy A 469 LEU HDx% 1.0 1.8 5.0 1017 548 A 469 LEU HDy% A 470 ASP HBy 1.0 1.8 5.0 1018 549 A 469 LEU HG A 470 ASP HBx 1.0 1.8 5.0 1019 549 A 469 LEU HG A 470 ASP HBy 1.0 1.8 5.0 1020 550 A 469 LEU H A 470 ASP HBx 1.0 1.8 5.0 1021 550 A 470 ASP HBy A 469 LEU H 1.0 1.8 5.0 1022 551 A 469 LEU HA A 470 ASP H 1.0 1.8 3.4 1023 552 A 470 ASP H A 469 LEU HBx 1.0 1.8 5.0 1024 552 A 469 LEU HBy A 470 ASP H 1.0 1.8 5.0 1025 553 A 469 LEU HG A 470 ASP H 1.0 1.8 3.4 1026 554 A 469 LEU H A 470 ASP H 1.0 1.8 2.8 1027 555 A 470 ASP HA A 470 ASP HBx 1.0 1.8 2.8 1028 555 A 470 ASP HBy A 470 ASP HA 1.0 1.8 2.8 1029 556 A 470 ASP HA A 470 ASP H 1.0 1.8 3.4 1030 557 A 470 ASP H A 470 ASP HBx 1.0 1.8 2.8 1031 557 A 470 ASP HBy A 470 ASP H 1.0 1.8 2.8 1032 558 A 467 TYR HE% A 471 LYS HBx 1.0 1.8 5.0 1033 558 A 467 TYR HE% A 471 LYS HBy 1.0 1.8 5.0 1034 559 A 467 TYR HE% A 471 LYS HDx 1.0 1.8 5.0 1035 559 A 467 TYR HE% A 471 LYS HDy 1.0 1.8 5.0 1036 560 A 467 TYR HE% A 471 LYS HEx 1.0 1.8 5.0 1037 560 A 471 LYS HEy A 467 TYR HE% 1.0 1.8 5.0 1038 561 A 467 TYR HE% A 471 LYS HEx 1.0 1.8 5.0 1039 561 A 471 LYS HEy A 467 TYR HE% 1.0 1.8 5.0 1040 562 A 467 TYR HD% A 471 LYS HGx 1.0 1.8 5.0 1041 562 A 467 TYR HD% A 471 LYS HGy 1.0 1.8 5.0 1042 563 A 467 TYR HE% A 471 LYS HGx 1.0 1.8 5.0 1043 563 A 467 TYR HE% A 471 LYS HGy 1.0 1.8 5.0 1044 564 A 471 LYS H A 467 TYR HBy 1.0 1.8 6.0 1045 564 A 471 LYS H A 467 TYR HBx 1.0 1.8 6.0 1046 565 A 467 TYR HD% A 471 LYS H 1.0 1.8 5.0 1047 566 A 471 LYS H A 467 TYR H 1.0 1.8 6.0 1048 567 A 468 LEU HA A 471 LYS HBx 1.0 1.8 3.4 1049 567 A 468 LEU HA A 471 LYS HBy 1.0 1.8 3.4 1050 568 A 468 LEU HA A 471 LYS HGx 1.0 1.8 5.0 1051 568 A 468 LEU HA A 471 LYS HGy 1.0 1.8 5.0 1052 569 A 471 LYS H A 468 LEU HA 1.0 1.8 3.4 1053 570 A 470 ASP HA A 471 LYS HGx 1.0 1.8 6.0 1054 570 A 470 ASP HA A 471 LYS HGy 1.0 1.8 6.0 1055 571 A 470 ASP HBy A 471 LYS HGx 1.0 1.8 5.0 1056 571 A 471 LYS HGy A 470 ASP HBx 1.0 1.8 5.0 1057 571 A 470 ASP HBy A 471 LYS HGy 1.0 1.8 5.0 1058 571 A 470 ASP HBx A 471 LYS HGx 1.0 1.8 5.0 1059 572 A 470 ASP H A 471 LYS HGx 1.0 1.8 5.0 1060 572 A 470 ASP H A 471 LYS HGy 1.0 1.8 5.0 1061 573 A 471 LYS H A 470 ASP HA 1.0 1.8 5.0 1062 574 A 471 LYS H A 470 ASP HBx 1.0 1.8 2.8 1063 574 A 471 LYS H A 470 ASP HBy 1.0 1.8 2.8 1064 575 A 471 LYS H A 470 ASP H 1.0 1.8 2.8 1065 576 A 471 LYS HA A 471 LYS HBx 1.0 1.8 2.8 1066 576 A 471 LYS HA A 471 LYS HBy 1.0 1.8 2.8 1067 577 A 471 LYS HA A 471 LYS HDx 1.0 1.8 3.4 1068 577 A 471 LYS HA A 471 LYS HDy 1.0 1.8 3.4 1069 578 A 471 LYS HDx A 471 LYS HEx 1.0 1.8 3.4 1070 578 A 471 LYS HDy A 471 LYS HEx 1.0 1.8 3.4 1071 578 A 471 LYS HEy A 471 LYS HDx 1.0 1.8 3.4 1072 578 A 471 LYS HEy A 471 LYS HDy 1.0 1.8 3.4 1073 579 A 471 LYS HA A 471 LYS HEx 1.0 1.8 5.0 1074 579 A 471 LYS HA A 471 LYS HEy 1.0 1.8 5.0 1075 580 A 471 LYS HBx A 471 LYS HEx 1.0 1.8 5.0 1076 580 A 471 LYS HBy A 471 LYS HEx 1.0 1.8 5.0 1077 580 A 471 LYS HEy A 471 LYS HBx 1.0 1.8 5.0 1078 580 A 471 LYS HEy A 471 LYS HBy 1.0 1.8 5.0 1079 581 A 471 LYS HDx A 471 LYS HEx 1.0 1.8 3.4 1080 581 A 471 LYS HDy A 471 LYS HEx 1.0 1.8 3.4 1081 581 A 471 LYS HEy A 471 LYS HDx 1.0 1.8 3.4 1082 581 A 471 LYS HEy A 471 LYS HDy 1.0 1.8 3.4 1083 582 A 471 LYS HA A 471 LYS HGx 1.0 1.8 3.4 1084 582 A 471 LYS HA A 471 LYS HGy 1.0 1.8 3.4 1085 583 A 471 LYS HBx A 471 LYS HGx 1.0 1.8 2.8 1086 583 A 471 LYS HBy A 471 LYS HGx 1.0 1.8 2.8 1087 583 A 471 LYS HGy A 471 LYS HBx 1.0 1.8 2.8 1088 583 A 471 LYS HBy A 471 LYS HGy 1.0 1.8 2.8 1089 584 A 471 LYS HBy A 471 LYS HGx 1.0 1.8 2.8 1090 584 A 471 LYS HGy A 471 LYS HBx 1.0 1.8 2.8 1091 584 A 471 LYS HBy A 471 LYS HGy 1.0 1.8 2.8 1092 584 A 471 LYS HBx A 471 LYS HGx 1.0 1.8 2.8 1093 585 A 471 LYS HDy A 471 LYS HGx 1.0 1.8 2.8 1094 585 A 471 LYS HDx A 471 LYS HGx 1.0 1.8 2.8 1095 585 A 471 LYS HGy A 471 LYS HDx 1.0 1.8 2.8 1096 585 A 471 LYS HDy A 471 LYS HGy 1.0 1.8 2.8 1097 586 A 471 LYS HEx A 471 LYS HGx 1.0 1.8 3.4 1098 586 A 471 LYS HEy A 471 LYS HGx 1.0 1.8 3.4 1099 586 A 471 LYS HGy A 471 LYS HEx 1.0 1.8 3.4 1100 586 A 471 LYS HEy A 471 LYS HGy 1.0 1.8 3.4 1101 587 A 471 LYS HEx A 471 LYS HGx 1.0 1.8 5.0 1102 587 A 471 LYS HEy A 471 LYS HGx 1.0 1.8 5.0 1103 587 A 471 LYS HGy A 471 LYS HEx 1.0 1.8 5.0 1104 587 A 471 LYS HEy A 471 LYS HGy 1.0 1.8 5.0 1105 588 A 471 LYS H A 471 LYS HA 1.0 1.8 3.4 1106 589 A 471 LYS H A 471 LYS HBx 1.0 1.8 2.8 1107 589 A 471 LYS H A 471 LYS HBy 1.0 1.8 2.8 1108 590 A 471 LYS H A 471 LYS HBx 1.0 1.8 2.8 1109 590 A 471 LYS H A 471 LYS HBy 1.0 1.8 2.8 1110 591 A 471 LYS H A 471 LYS HDx 1.0 1.8 5.0 1111 591 A 471 LYS H A 471 LYS HDy 1.0 1.8 5.0 1112 592 A 471 LYS H A 471 LYS HGx 1.0 1.8 2.8 1113 592 A 471 LYS H A 471 LYS HGy 1.0 1.8 2.8 1114 593 A 468 LEU HA A 472 LYS HGx 1.0 1.8 5.0 1115 593 A 472 LYS HGy A 468 LEU HA 1.0 1.8 5.0 1116 594 A 468 LEU HDy% A 472 LYS HGx 1.0 1.8 3.4 1117 594 A 468 LEU HDx% A 472 LYS HGx 1.0 1.8 3.4 1118 594 A 472 LYS HGy A 468 LEU HDx% 1.0 1.8 3.4 1119 594 A 468 LEU HDy% A 472 LYS HGy 1.0 1.8 3.4 1120 595 A 468 LEU HA A 472 LYS H 1.0 1.8 5.0 1121 596 A 472 LYS H A 468 LEU HDx% 1.0 1.8 5.0 1122 596 A 468 LEU HDy% A 472 LYS H 1.0 1.8 5.0 1123 597 A 472 LYS H A 470 ASP HBx 1.0 1.8 5.0 1124 597 A 470 ASP HBy A 472 LYS H 1.0 1.8 5.0 1125 598 A 470 ASP H A 472 LYS H 1.0 1.8 5.0 1126 599 A 471 LYS H A 472 LYS HA 1.0 1.8 5.0 1127 600 A 471 LYS HA A 472 LYS H 1.0 1.8 5.0 1128 601 A 472 LYS H A 471 LYS HBx 1.0 1.8 5.0 1129 601 A 471 LYS HBy A 472 LYS H 1.0 1.8 5.0 1130 602 A 472 LYS H A 471 LYS HDx 1.0 1.8 5.0 1131 602 A 471 LYS HDy A 472 LYS H 1.0 1.8 5.0 1132 603 A 472 LYS H A 471 LYS HGx 1.0 1.8 5.0 1133 603 A 471 LYS HGy A 472 LYS H 1.0 1.8 5.0 1134 604 A 471 LYS H A 472 LYS H 1.0 1.8 2.8 1135 605 A 472 LYS HA A 472 LYS HBx 1.0 1.8 2.8 1136 605 A 472 LYS HBy A 472 LYS HA 1.0 1.8 2.8 1137 606 A 472 LYS HA A 472 LYS HBx 1.0 1.8 2.8 1138 606 A 472 LYS HBy A 472 LYS HA 1.0 1.8 2.8 1139 607 A 472 LYS HA A 472 LYS HDx 1.0 1.8 2.8 1140 607 A 472 LYS HA A 472 LYS HDy 1.0 1.8 2.8 1141 608 A 472 LYS HBx A 472 LYS HDx 1.0 1.8 2.8 1142 608 A 472 LYS HBy A 472 LYS HDx 1.0 1.8 2.8 1143 608 A 472 LYS HDy A 472 LYS HBx 1.0 1.8 2.8 1144 608 A 472 LYS HBy A 472 LYS HDy 1.0 1.8 2.8 1145 609 A 472 LYS HBy A 472 LYS HEx 1.0 1.8 5.0 1146 609 A 472 LYS HBx A 472 LYS HEx 1.0 1.8 5.0 1147 609 A 472 LYS HEy A 472 LYS HBx 1.0 1.8 5.0 1148 609 A 472 LYS HBy A 472 LYS HEy 1.0 1.8 5.0 1149 610 A 472 LYS HBy A 472 LYS HEx 1.0 1.8 5.0 1150 610 A 472 LYS HBx A 472 LYS HEx 1.0 1.8 5.0 1151 610 A 472 LYS HEy A 472 LYS HBx 1.0 1.8 5.0 1152 610 A 472 LYS HBy A 472 LYS HEy 1.0 1.8 5.0 1153 611 A 472 LYS HDy A 472 LYS HEx 1.0 1.8 3.4 1154 611 A 472 LYS HDx A 472 LYS HEx 1.0 1.8 3.4 1155 611 A 472 LYS HEy A 472 LYS HDx 1.0 1.8 3.4 1156 611 A 472 LYS HDy A 472 LYS HEy 1.0 1.8 3.4 1157 612 A 472 LYS HA A 472 LYS HGx 1.0 1.8 3.4 1158 612 A 472 LYS HGy A 472 LYS HA 1.0 1.8 3.4 1159 613 A 472 LYS HBy A 472 LYS HGx 1.0 1.8 2.8 1160 613 A 472 LYS HBx A 472 LYS HGx 1.0 1.8 2.8 1161 613 A 472 LYS HGy A 472 LYS HBx 1.0 1.8 2.8 1162 613 A 472 LYS HBy A 472 LYS HGy 1.0 1.8 2.8 1163 614 A 472 LYS HBy A 472 LYS HGx 1.0 1.8 2.8 1164 614 A 472 LYS HBx A 472 LYS HGx 1.0 1.8 2.8 1165 614 A 472 LYS HGy A 472 LYS HBx 1.0 1.8 2.8 1166 614 A 472 LYS HBy A 472 LYS HGy 1.0 1.8 2.8 1167 615 A 472 LYS HDy A 472 LYS HGx 1.0 1.8 2.8 1168 615 A 472 LYS HGy A 472 LYS HDx 1.0 1.8 2.8 1169 615 A 472 LYS HGy A 472 LYS HDy 1.0 1.8 2.8 1170 615 A 472 LYS HDx A 472 LYS HGx 1.0 1.8 2.8 1171 616 A 472 LYS HEx A 472 LYS HGx 1.0 1.8 3.4 1172 616 A 472 LYS HEy A 472 LYS HGx 1.0 1.8 3.4 1173 616 A 472 LYS HGy A 472 LYS HEx 1.0 1.8 3.4 1174 616 A 472 LYS HGy A 472 LYS HEy 1.0 1.8 3.4 1175 617 A 472 LYS H A 472 LYS HA 1.0 1.8 3.4 1176 618 A 472 LYS H A 472 LYS HBx 1.0 1.8 2.8 1177 618 A 472 LYS HBy A 472 LYS H 1.0 1.8 2.8 1178 619 A 472 LYS H A 472 LYS HBx 1.0 1.8 2.8 1179 619 A 472 LYS HBy A 472 LYS H 1.0 1.8 2.8 1180 620 A 472 LYS H A 472 LYS HDx 1.0 1.8 5.0 1181 620 A 472 LYS H A 472 LYS HDy 1.0 1.8 5.0 1182 621 A 472 LYS H A 472 LYS HGx 1.0 1.8 5.0 1183 621 A 472 LYS HGy A 472 LYS H 1.0 1.8 5.0 1184 622 A 461 ILE HB A 465 LEU HBx 1.0 2.8 6.0 1185 622 A 461 ILE HB A 465 LEU HBy 1.0 2.8 6.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 448 ASP C A 449 GLN N A 449 GLN CA A 449 GLN C 1.0 -90.0 -30.0 PHI 2 2 A 449 GLN N A 449 GLN CA A 449 GLN C A 450 PHE N 1.0 -80.0 0.0 PSI 3 3 A 449 GLN C A 450 PHE N A 450 PHE CA A 450 PHE C 1.0 -90.0 -30.0 PHI 4 4 A 450 PHE N A 450 PHE CA A 450 PHE C A 451 ILE N 1.0 -80.0 0.0 PSI 5 5 A 450 PHE C A 451 ILE N A 451 ILE CA A 451 ILE C 1.0 -90.0 -30.0 PHI 6 6 A 451 ILE N A 451 ILE CA A 451 ILE C A 452 ILE N 1.0 -80.0 0.0 PSI 7 7 A 451 ILE C A 452 ILE N A 452 ILE CA A 452 ILE C 1.0 -90.0 -30.0 PHI 8 8 A 452 ILE N A 452 ILE CA A 452 ILE C A 453 ALA N 1.0 -80.0 0.0 PSI 9 9 A 452 ILE C A 453 ALA N A 453 ALA CA A 453 ALA C 1.0 -90.0 -30.0 PHI 10 10 A 453 ALA N A 453 ALA CA A 453 ALA C A 454 TYR N 1.0 -80.0 0.0 PSI 11 11 A 460 ALA C A 461 ILE N A 461 ILE CA A 461 ILE C 1.0 -90.0 -30.0 PHI 12 12 A 461 ILE N A 461 ILE CA A 461 ILE C A 462 ALA N 1.0 -80.0 0.0 PSI 13 13 A 461 ILE C A 462 ALA N A 462 ALA CA A 462 ALA C 1.0 -90.0 -30.0 PHI 14 14 A 462 ALA N A 462 ALA CA A 462 ALA C A 463 PHE N 1.0 -80.0 0.0 PSI 15 15 A 462 ALA C A 463 PHE N A 463 PHE CA A 463 PHE C 1.0 -90.0 -30.0 PHI 16 16 A 463 PHE N A 463 PHE CA A 463 PHE C A 464 SER N 1.0 -80.0 0.0 PSI 17 17 A 463 PHE C A 464 SER N A 464 SER CA A 464 SER C 1.0 -90.0 -30.0 PHI 18 18 A 464 SER N A 464 SER CA A 464 SER C A 465 LEU N 1.0 -80.0 0.0 PSI 19 19 A 464 SER C A 465 LEU N A 465 LEU CA A 465 LEU C 1.0 -90.0 -30.0 PHI 20 20 A 465 LEU N A 465 LEU CA A 465 LEU C A 466 GLY N 1.0 -80.0 0.0 PSI 21 21 A 465 LEU C A 466 GLY N A 466 GLY CA A 466 GLY C 1.0 -90.0 -30.0 PHI 22 22 A 466 GLY N A 466 GLY CA A 466 GLY C A 467 TYR N 1.0 -80.0 0.0 PSI 23 23 A 466 GLY C A 467 TYR N A 467 TYR CA A 467 TYR C 1.0 -90.0 -30.0 PHI 24 24 A 467 TYR N A 467 TYR CA A 467 TYR C A 468 LEU N 1.0 -80.0 0.0 PSI 25 25 A 467 TYR C A 468 LEU N A 468 LEU CA A 468 LEU C 1.0 -90.0 -30.0 PHI 26 26 A 468 LEU N A 468 LEU CA A 468 LEU C A 469 LEU N 1.0 -80.0 0.0 PSI 27 27 A 468 LEU C A 469 LEU N A 469 LEU CA A 469 LEU C 1.0 -90.0 -30.0 PHI 28 28 A 469 LEU N A 469 LEU CA A 469 LEU C A 470 ASP N 1.0 -80.0 0.0 PSI stop_ save_