data_nef_c34270_6gif 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6GIF stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 1 MET start . . 2 A 2 ALA middle . . 3 A 3 THR middle . . 4 A 4 LYS middle . . 5 A 5 HIS middle . . 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 ASN middle . . 9 A 9 SER middle . . 10 A 10 TRP middle . . 11 A 11 LYS middle . . 12 A 12 THR middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 LEU middle . . 16 A 16 LYS middle . . 17 A 17 ILE middle . . 18 A 18 SER middle . . 19 A 19 PHE middle . . 20 A 20 LEU middle . . 21 A 21 GLY middle . false 22 A 22 CYS middle . . 23 A 23 LYS middle . . 24 A 24 VAL middle . . 25 A 25 VAL middle . . 26 A 26 ALA middle . . 27 A 27 LEU middle . . 28 A 28 LEU middle . . 29 A 29 LYS middle . . 30 A 30 ARG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 1 MET HA H 1 4.123 . A 1 MET HG2 H 1 2.179 . A 2 ALA H H 1 8.598 0.002 A 2 ALA HA H 1 4.493 . A 2 ALA HB% H 1 1.420 0.001 A 2 ALA N N 15 126.799 . A 3 THR H H 1 8.030 0.0 A 3 THR HA H 1 4.364 0.003 A 3 THR HB H 1 4.197 0.002 A 3 THR HG2% H 1 1.177 0.0 A 3 THR N N 15 113.180 . A 4 LYS H H 1 8.191 0.001 A 4 LYS HA H 1 4.312 . A 4 LYS HBx H 1 1.706 0.001 A 4 LYS HBy H 1 1.794 . A 4 LYS HD2 H 1 1.662 . A 4 LYS HD3 H 1 1.662 . A 4 LYS HE2 H 1 2.967 . A 4 LYS HE3 H 1 2.967 . A 4 LYS HGx H 1 1.368 . A 4 LYS HGy H 1 1.426 . A 4 LYS N N 15 122.538 . A 5 HIS H H 1 8.375 0.003 A 5 HIS HA H 1 4.738 . A 5 HIS HBx H 1 3.163 . A 5 HIS HBy H 1 3.296 . A 5 HIS HD1 H 1 8.552 . A 5 HIS HD2 H 1 7.286 . A 5 HIS N N 15 118.390 . A 6 GLY H H 1 8.354 0.001 A 6 GLY HAx H 1 3.973 0.001 A 6 GLY HAy H 1 4.058 0.0 A 6 GLY N N 15 109.381 . A 7 LYS H H 1 8.256 0.001 A 7 LYS HA H 1 4.305 0.001 A 7 LYS HBx H 1 1.773 0.001 A 7 LYS HBy H 1 1.860 0.003 A 7 LYS HD2 H 1 1.694 . A 7 LYS HD3 H 1 1.694 . A 7 LYS HE2 H 1 2.987 . A 7 LYS HE3 H 1 2.987 . A 7 LYS HGx H 1 1.417 0.004 A 7 LYS HGy H 1 1.473 0.0 A 7 LYS N N 15 120.661 . A 8 ASN H H 1 8.420 0.001 A 8 ASN HA H 1 4.714 0.001 A 8 ASN HB2 H 1 2.747 0.002 A 8 ASN HB3 H 1 2.747 0.002 A 8 ASN HD21 H 1 7.455 . A 8 ASN HD22 H 1 6.752 . A 8 ASN N N 15 118.263 . A 8 ASN ND2 N 15 111.687 0.006 A 9 SER H H 1 8.195 0.001 A 9 SER HA H 1 4.393 0.001 A 9 SER HBx H 1 3.868 0.004 A 9 SER HBy H 1 3.919 0.0 A 9 SER N N 15 116.318 . A 10 TRP H H 1 7.983 0.001 A 10 TRP HA H 1 4.475 0.001 A 10 TRP HBx H 1 3.305 0.003 A 10 TRP HBy H 1 3.369 0.004 A 10 TRP HD1 H 1 7.297 0.001 A 10 TRP HE1 H 1 9.836 0.001 A 10 TRP HE3 H 1 7.482 0.002 A 10 TRP HH2 H 1 7.086 . A 10 TRP HZ2 H 1 7.386 0.003 A 10 TRP HZ3 H 1 6.941 0.001 A 10 TRP N N 15 122.485 . A 10 TRP NE1 N 15 127.575 . A 11 LYS H H 1 7.605 0.001 A 11 LYS HA H 1 3.804 0.001 A 11 LYS HBx H 1 1.604 0.001 A 11 LYS HBy H 1 1.712 0.0 A 11 LYS HD2 H 1 1.584 0.002 A 11 LYS HD3 H 1 1.584 0.002 A 11 LYS HE2 H 1 2.887 0.002 A 11 LYS HE3 H 1 2.887 0.002 A 11 LYS HGx H 1 1.061 0.003 A 11 LYS HGy H 1 1.092 0.002 A 11 LYS N N 15 119.195 . A 12 THR H H 1 7.579 0.003 A 12 THR HA H 1 3.934 0.0 A 12 THR HB H 1 4.235 0.001 A 12 THR HG2% H 1 1.250 0.002 A 12 THR N N 15 111.430 . A 13 LEU H H 1 7.517 0.001 A 13 LEU HA H 1 4.106 0.002 A 13 LEU HB2 H 1 1.798 0.002 A 13 LEU HB3 H 1 1.798 0.002 A 13 LEU HD2% H 1 0.896 0.002 A 13 LEU HG H 1 1.654 0.002 A 13 LEU N N 15 122.443 . A 14 TYR H H 1 8.127 0.001 A 14 TYR HA H 1 4.099 0.001 A 14 TYR HBx H 1 2.940 0.002 A 14 TYR HBy H 1 3.013 0.001 A 14 TYR HD1 H 1 7.016 0.002 A 14 TYR HD2 H 1 7.016 0.002 A 14 TYR HE1 H 1 6.790 0.002 A 14 TYR HE2 H 1 6.790 0.002 A 14 TYR N N 15 117.893 . A 15 LEU H H 1 8.105 0.001 A 15 LEU HA H 1 3.928 0.004 A 15 LEU HB2 H 1 1.878 0.001 A 15 LEU HB3 H 1 1.878 0.001 A 15 LEU HD2% H 1 0.894 0.001 A 15 LEU HG H 1 1.562 0.001 A 15 LEU N N 15 120.685 . A 16 LYS H H 1 7.878 0.001 A 16 LYS HA H 1 4.025 0.002 A 16 LYS HBx H 1 1.941 0.002 A 16 LYS HBy H 1 2.027 0.001 A 16 LYS HD2 H 1 1.659 0.001 A 16 LYS HD3 H 1 1.659 0.001 A 16 LYS HE2 H 1 2.893 0.002 A 16 LYS HE3 H 1 2.893 0.002 A 16 LYS HG2 H 1 1.405 0.001 A 16 LYS HG3 H 1 1.405 0.001 A 16 LYS N N 15 118.956 . A 17 ILE H H 1 8.450 0.0 A 17 ILE HA H 1 3.804 0.002 A 17 ILE HB H 1 1.872 0.002 A 17 ILE HD1% H 1 0.815 0.002 A 17 ILE HG12 H 1 1.228 0.001 A 17 ILE HG13 H 1 1.228 0.001 A 17 ILE HG2% H 1 0.898 0.002 A 17 ILE N N 15 117.789 . A 18 SER H H 1 8.090 0.001 A 18 SER HA H 1 4.119 0.0 A 18 SER HBx H 1 3.668 0.002 A 18 SER HBy H 1 3.885 0.0 A 18 SER N N 15 116.504 . A 19 PHE H H 1 8.135 0.001 A 19 PHE HA H 1 4.392 0.003 A 19 PHE HB2 H 1 3.228 0.001 A 19 PHE HB3 H 1 3.228 0.001 A 19 PHE HD1 H 1 7.232 0.001 A 19 PHE HD2 H 1 7.232 0.001 A 19 PHE HE1 H 1 7.264 0.002 A 19 PHE HE2 H 1 7.264 0.002 A 19 PHE N N 15 122.180 . A 20 LEU H H 1 8.201 0.001 A 20 LEU HA H 1 4.081 0.003 A 20 LEU HB2 H 1 1.851 0.002 A 20 LEU HB3 H 1 1.851 0.002 A 20 LEU HD2% H 1 0.897 0.002 A 20 LEU HG H 1 1.641 0.001 A 20 LEU N N 15 120.050 . A 21 GLY H H 1 8.351 0.001 A 21 GLY HAx H 1 3.796 0.002 A 21 GLY HAy H 1 3.883 0.001 A 21 GLY N N 15 105.711 . A 22 CYS H H 1 7.871 0.001 A 22 CYS HA H 1 4.219 0.001 A 22 CYS HBx H 1 2.906 0.002 A 22 CYS HBy H 1 3.045 0.002 A 22 CYS N N 15 117.411 . A 23 LYS H H 1 7.818 0.002 A 23 LYS HA H 1 4.074 0.002 A 23 LYS HBx H 1 1.857 0.002 A 23 LYS HBy H 1 1.911 0.002 A 23 LYS HD2 H 1 1.622 0.002 A 23 LYS HD3 H 1 1.622 0.002 A 23 LYS HE2 H 1 2.843 0.004 A 23 LYS HE3 H 1 2.843 0.004 A 23 LYS HGx H 1 1.356 0.0 A 23 LYS HGy H 1 1.446 0.003 A 23 LYS N N 15 120.335 . A 24 VAL H H 1 7.896 0.001 A 24 VAL HA H 1 3.701 0.001 A 24 VAL HB H 1 2.167 0.001 A 24 VAL HGx% H 1 0.916 0.001 A 24 VAL HGy% H 1 1.002 0.001 A 24 VAL N N 15 118.265 . A 25 VAL H H 1 7.757 0.001 A 25 VAL HA H 1 3.613 0.001 A 25 VAL HB H 1 2.094 0.001 A 25 VAL HGx% H 1 0.924 0.002 A 25 VAL HGy% H 1 1.024 0.001 A 25 VAL N N 15 118.078 . A 26 ALA H H 1 7.540 0.001 A 26 ALA HA H 1 4.059 0.001 A 26 ALA HB% H 1 1.468 0.002 A 26 ALA N N 15 120.114 . A 27 LEU H H 1 7.780 0.002 A 27 LEU HA H 1 4.156 0.001 A 27 LEU HBx H 1 1.770 0.002 A 27 LEU HBy H 1 1.915 . A 27 LEU HD2% H 1 0.860 0.0 A 27 LEU HG H 1 1.627 0.001 A 27 LEU N N 15 117.467 . A 28 LEU H H 1 7.951 0.001 A 28 LEU HA H 1 4.223 0.001 A 28 LEU HB2 H 1 1.854 0.0 A 28 LEU HB3 H 1 1.854 0.0 A 28 LEU HD2% H 1 0.836 0.002 A 28 LEU HG H 1 1.523 0.0 A 28 LEU N N 15 118.458 . A 29 LYS H H 1 7.886 0.002 A 29 LYS HA H 1 4.258 0.0 A 29 LYS HBy H 1 1.924 . A 29 LYS HBx H 1 1.852 . A 29 LYS HD2 H 1 1.649 . A 29 LYS HD3 H 1 1.649 . A 29 LYS HE2 H 1 2.950 . A 29 LYS HE3 H 1 2.950 . A 29 LYS HGx H 1 1.461 0.0 A 29 LYS HGy H 1 1.529 . A 29 LYS N N 15 117.930 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 2 ALA H A 1 MET HA 1.0 . 4.38 2 2 A 3 THR H A 2 ALA HA 1.0 . 4.25 3 3 A 3 THR H A 2 ALA HB% 1.0 . 5.09 4 4 A 4 LYS H A 3 THR HA 1.0 . 4.18 5 5 A 4 LYS H A 3 THR HB 1.0 . 4.94 6 6 A 4 LYS H A 3 THR HG2% 1.0 . 5.44 7 7 A 5 HIS H A 4 LYS HA 1.0 . 4.15 8 8 A 5 HIS H A 4 LYS HBx 1.0 . 5.06 9 9 A 5 HIS H A 4 LYS HBy 1.0 . 5.31 10 10 A 6 GLY H A 5 HIS HBx 1.0 . 5.09 11 11 A 6 GLY H A 5 HIS HBy 1.0 . 5.12 12 12 A 7 LYS H A 6 GLY HAx 1.0 . 4.37 13 13 A 7 LYS H A 6 GLY HAy 1.0 . 4.36 14 14 A 8 ASN H A 7 LYS HA 1.0 . 4.15 15 15 A 6 GLY HAx A 8 ASN H 1.0 . 5.44 16 16 A 8 ASN H A 7 LYS HBx 1.0 . 4.77 17 16 A 8 ASN H A 7 LYS HBy 1.0 . 4.77 18 17 A 8 ASN H A 7 LYS HBx 1.0 . 5.08 19 17 A 8 ASN H A 7 LYS HBy 1.0 . 5.08 20 18 A 8 ASN H A 7 LYS HGy 1.0 . 5.70 21 19 A 8 ASN H A 7 LYS HGx 1.0 . 5.86 22 20 A 9 SER H A 8 ASN HA 1.0 . 6.00 23 21 A 10 TRP H A 9 SER HA 1.0 . 6.00 24 22 A 10 TRP H A 9 SER HBy 1.0 . 4.83 25 23 A 10 TRP H A 9 SER HBx 1.0 . 4.67 26 24 A 10 TRP H A 11 LYS HA 1.0 . 5.56 27 25 A 10 TRP H A 13 LEU HD11 1.0 . 5.43 28 25 A 10 TRP H A 13 LEU HD2% 1.0 . 5.43 29 26 A 10 TRP H A 11 LYS HBy 1.0 . 5.32 30 27 A 10 TRP H A 11 LYS HBx 1.0 . 5.41 31 28 A 10 TRP H A 13 LEU HG 1.0 . 5.34 32 29 A 11 LYS H A 10 TRP HA 1.0 . 4.83 33 30 A 9 SER HA A 11 LYS H 1.0 . 5.33 34 31 A 11 LYS H A 12 THR HA 1.0 . 5.25 35 32 A 11 LYS H A 10 TRP HBx 1.0 . 4.98 36 33 A 11 LYS H A 10 TRP HBy 1.0 . 5.02 37 34 A 11 LYS H A 14 TYR HBy 1.0 . 5.77 38 35 A 11 LYS H A 13 LEU HD11 1.0 . 5.55 39 35 A 13 LEU HD2% A 11 LYS H 1.0 . 5.55 40 36 A 11 LYS HA A 12 THR H 1.0 . 4.72 41 37 A 12 THR H A 13 LEU HA 1.0 . 5.35 42 38 A 11 LYS HBx A 12 THR H 1.0 . 4.72 43 39 A 11 LYS HBy A 12 THR H 1.0 . 4.64 44 40 A 11 LYS H A 12 THR HG2% 1.0 . 5.48 45 41 A 12 THR H A 13 LEU HD11 1.0 . 4.82 46 41 A 13 LEU HD2% A 12 THR H 1.0 . 4.82 47 42 A 12 THR H A 11 LYS HGx 1.0 . 5.14 48 42 A 12 THR H A 11 LYS HGy 1.0 . 5.14 49 43 A 13 LEU H A 12 THR HB 1.0 . 4.06 50 44 A 11 LYS HA A 13 LEU H 1.0 . 5.15 51 45 A 12 THR HA A 13 LEU H 1.0 . 3.71 52 46 A 10 TRP HA A 13 LEU H 1.0 . 4.92 53 47 A 14 TYR HBy A 13 LEU H 1.0 . 5.50 54 48 A 13 LEU H A 14 TYR HBx 1.0 . 5.38 55 49 A 12 THR HG2% A 13 LEU H 1.0 . 4.40 56 50 A 11 LYS HA A 14 TYR H 1.0 . 3.98 57 51 A 13 LEU HG A 14 TYR H 1.0 . 3.75 58 52 A 14 TYR H A 15 LEU HG 1.0 . 4.70 59 53 A 12 THR HG2% A 14 TYR H 1.0 . 5.54 60 54 A 14 TYR H A 15 LEU HD11 1.0 . 3.80 61 54 A 14 TYR H A 15 LEU HD2% 1.0 . 3.80 62 55 A 14 TYR H A 17 ILE HD1% 1.0 . 5.47 63 56 A 14 TYR H A 17 ILE HB 1.0 . 4.08 64 57 A 14 TYR HBx A 15 LEU H 1.0 . 3.81 65 58 A 14 TYR HBy A 15 LEU H 1.0 . 3.66 66 59 A 15 LEU H A 16 LYS HBx 1.0 . 5.64 67 60 A 16 LYS H A 15 LEU HA 1.0 . 3.88 68 61 A 16 LYS H A 14 TYR HA 1.0 . 3.81 69 62 A 17 ILE HD1% A 16 LYS H 1.0 . 4.83 70 63 A 16 LYS H A 17 ILE HG2% 1.0 . 6.00 71 64 A 12 THR HG2% A 16 LYS H 1.0 . 5.04 72 65 A 17 ILE H A 16 LYS HA 1.0 . 4.44 73 66 A 14 TYR HA A 17 ILE H 1.0 . 4.01 74 67 A 16 LYS HBx A 17 ILE H 1.0 . 4.05 75 68 A 17 ILE H A 16 LYS HBy 1.0 . 4.26 76 69 A 18 SER H A 19 PHE HA 1.0 . 4.99 77 70 A 18 SER H A 17 ILE HA 1.0 . 3.99 78 71 A 17 ILE HB A 18 SER H 1.0 . 6.00 79 72 A 17 ILE HG2% A 18 SER H 1.0 . 3.48 80 73 A 17 ILE HD1% A 18 SER H 1.0 . 5.13 81 74 A 16 LYS HA A 19 PHE H 1.0 . 4.20 82 75 A 19 PHE H A 18 SER HBy 1.0 . 3.85 83 76 A 19 PHE H A 18 SER HBx 1.0 . 4.30 84 77 A 16 LYS HA A 20 LEU H 1.0 . 5.26 85 78 A 16 LYS HA A 18 SER H 1.0 . 5.29 86 79 A 17 ILE HA A 20 LEU H 1.0 . 4.12 87 80 A 21 GLY H A 20 LEU HG 1.0 . 4.03 88 81 A 21 GLY H A 20 LEU HD11 1.0 . 4.25 89 81 A 21 GLY H A 20 LEU HD2% 1.0 . 4.25 90 82 A 22 CYS H A 21 GLY HAx 1.0 . 3.69 91 82 A 22 CYS H A 21 GLY HAy 1.0 . 3.69 92 83 A 22 CYS H A 21 GLY HAx 1.0 . 3.55 93 83 A 22 CYS H A 21 GLY HAy 1.0 . 3.55 94 84 A 19 PHE HA A 22 CYS H 1.0 . 4.20 95 85 A 23 LYS H A 22 CYS HA 1.0 . 3.76 96 86 A 23 LYS H A 21 GLY HAx 1.0 . 5.24 97 86 A 21 GLY HAy A 23 LYS H 1.0 . 5.24 98 87 A 23 LYS H A 21 GLY HAx 1.0 . 5.29 99 87 A 21 GLY HAy A 23 LYS H 1.0 . 5.29 100 88 A 23 LYS H A 24 VAL HA 1.0 . 5.21 101 89 A 23 LYS H A 22 CYS HBy 1.0 . 4.04 102 90 A 23 LYS H A 22 CYS HBx 1.0 . 4.25 103 91 A 23 LYS H A 24 VAL HB 1.0 . 4.99 104 92 A 23 LYS H A 24 VAL HGx% 1.0 . 6.00 105 93 A 24 VAL H A 23 LYS HA 1.0 . 3.64 106 94 A 24 VAL H A 21 GLY HAx 1.0 . 4.63 107 94 A 21 GLY HAy A 24 VAL H 1.0 . 4.63 108 95 A 24 VAL H A 21 GLY HAx 1.0 . 4.49 109 95 A 21 GLY HAy A 24 VAL H 1.0 . 4.49 110 96 A 22 CYS HBx A 24 VAL H 1.0 . 5.14 111 97 A 22 CYS HBy A 24 VAL H 1.0 . 5.06 112 98 A 24 VAL H A 23 LYS HBy 1.0 . 3.42 113 99 A 24 VAL H A 23 LYS HBx 1.0 . 3.07 114 100 A 24 VAL H A 23 LYS HGy 1.0 . 5.71 115 101 A 24 VAL HA A 25 VAL H 1.0 . 4.09 116 102 A 25 VAL H A 21 GLY HAx 1.0 . 5.39 117 102 A 21 GLY HAy A 25 VAL H 1.0 . 5.39 118 103 A 24 VAL HB A 25 VAL H 1.0 . 3.54 119 104 A 26 ALA H A 25 VAL HA 1.0 . 4.09 120 105 A 24 VAL HA A 26 ALA H 1.0 . 5.18 121 106 A 22 CYS HA A 26 ALA H 1.0 . 4.59 122 107 A 26 ALA H A 25 VAL HB 1.0 . 3.53 123 108 A 23 LYS HBx A 26 ALA H 1.0 . 5.31 124 109 A 23 LYS HBy A 26 ALA H 1.0 . 5.08 125 110 A 26 ALA H A 25 VAL HGy% 1.0 . 4.11 126 111 A 26 ALA H A 25 VAL HGx% 1.0 . 3.87 127 112 A 27 LEU H A 26 ALA HA 1.0 . 3.92 128 113 A 27 LEU H A 28 LEU HA 1.0 . 5.28 129 114 A 24 VAL HA A 27 LEU H 1.0 . 3.99 130 115 A 25 VAL HA A 27 LEU H 1.0 . 4.57 131 116 A 24 VAL HB A 27 LEU H 1.0 . 4.97 132 117 A 27 LEU H A 26 ALA HB% 1.0 . 3.40 133 118 A 27 LEU H A 24 VAL HGy% 1.0 . 4.71 134 119 A 28 LEU H A 27 LEU HA 1.0 . 4.21 135 120 A 26 ALA HA A 28 LEU H 1.0 . 5.24 136 121 A 24 VAL HA A 28 LEU H 1.0 . 4.99 137 122 A 25 VAL HA A 28 LEU H 1.0 . 4.10 138 123 A 28 LEU H A 27 LEU HBy 1.0 . 4.07 139 124 A 28 LEU H A 27 LEU HG 1.0 . 4.10 140 125 A 25 VAL HGx% A 28 LEU H 1.0 . 4.51 141 126 A 30 ARG H A 29 LYS HA 1.0 . 3.35 142 127 A 27 LEU HA A 30 ARG H 1.0 . 4.68 143 128 A 26 ALA HA A 30 ARG H 1.0 . 4.92 144 129 A 30 ARG H A 28 LEU HG 1.0 . 5.37 145 130 A 26 ALA HB% A 30 ARG H 1.0 . 4.81 146 131 A 28 LEU HA A 29 LYS H 1.0 . 6.00 147 132 A 25 VAL HA A 29 LYS H 1.0 . 4.50 148 133 A 16 LYS H A 17 ILE H 1.0 . 3.71 149 134 A 17 ILE H A 18 SER H 1.0 . 3.64 150 135 A 8 ASN H A 9 SER H 1.0 . 3.85 151 136 A 7 LYS H A 8 ASN H 1.0 . 4.13 152 137 A 20 LEU H A 21 GLY H 1.0 . 3.75 153 138 A 21 GLY H A 22 CYS H 1.0 . 3.77 154 139 A 15 LEU H A 16 LYS H 1.0 . 3.59 155 140 A 9 SER H A 10 TRP H 1.0 . 3.81 156 141 A 15 LEU H A 14 TYR HD% 1.0 . 4.60 157 142 A 20 LEU H A 19 PHE HD% 1.0 . 5.27 158 143 A 19 PHE H A 20 LEU H 1.0 . 3.72 159 144 A 13 LEU H A 14 TYR H 1.0 . 3.50 160 145 A 26 ALA H A 27 LEU H 1.0 . 3.42 161 146 A 25 VAL H A 26 ALA H 1.0 . 3.42 162 147 A 10 TRP H A 11 LYS H 1.0 . 3.47 163 148 A 12 THR H A 13 LEU H 1.0 . 3.78 164 149 A 27 LEU H A 28 LEU H 1.0 . 3.35 165 150 A 23 LYS H A 24 VAL H 1.0 . 4.00 166 151 A 24 VAL H A 25 VAL H 1.0 . 3.49 167 152 A 30 ARG H A 29 LYS H 1.0 . 3.68 168 153 A 28 LEU H A 29 LYS H 1.0 . 4.00 169 154 A 12 THR H A 14 TYR H 1.0 . 5.23 170 155 A 14 TYR H A 16 LYS H 1.0 . 4.41 171 156 A 16 LYS H A 20 LEU H 1.0 . 6.00 172 157 A 4 LYS H A 5 HIS H 1.0 . 4.38 173 158 A 26 ALA H A 28 LEU H 1.0 . 5.32 174 159 A 24 VAL H A 26 ALA H 1.0 . 5.03 175 160 A 9 SER H A 12 THR H 1.0 . 5.31 176 161 A 14 TYR HBx A 10 TRP HE3 1.0 . 4.40 177 162 A 14 TYR HBy A 10 TRP HE3 1.0 . 4.89 178 163 A 11 LYS HA A 10 TRP HE3 1.0 . 4.01 179 164 A 14 TYR HA A 10 TRP HE3 1.0 . 5.00 180 165 A 9 SER HA A 12 THR H 1.0 . 5.13 181 166 A 9 SER HA A 10 TRP HD1 1.0 . 5.93 182 167 A 7 LYS HA A 10 TRP HD1 1.0 . 5.06 183 168 A 11 LYS HA A 10 TRP HD1 1.0 . 5.89 184 169 A 9 SER HBx A 10 TRP HD1 1.0 . 5.80 185 170 A 19 PHE HD% A 20 LEU HA 1.0 . 4.39 186 171 A 16 LYS HA A 19 PHE HD% 1.0 . 4.58 187 172 A 15 LEU HA A 14 TYR HD% 1.0 . 4.36 188 173 A 11 LYS HA A 14 TYR HD% 1.0 . 4.22 189 174 A 15 LEU HA A 14 TYR HE% 1.0 . 5.47 190 175 A 13 LEU HG A 14 TYR HD% 1.0 . 5.20 191 176 A 17 ILE HD1% A 14 TYR HD% 1.0 . 4.70 192 177 A 17 ILE HG2% A 14 TYR HD% 1.0 . 3.52 193 178 A 17 ILE HG2% A 14 TYR HE% 1.0 . 3.90 194 179 A 12 THR H A 11 LYS HGx 1.0 . 5.24 195 179 A 12 THR H A 11 LYS HGy 1.0 . 5.24 196 180 A 10 TRP HA A 12 THR H 1.0 . 5.87 197 181 A 14 TYR HBy A 17 ILE HG2% 1.0 . 4.62 198 182 A 14 TYR HBy A 17 ILE HB 1.0 . 5.22 199 183 A 14 TYR HBx A 17 ILE HB 1.0 . 4.97 200 184 A 12 THR HG2% A 15 LEU H 1.0 . 5.31 201 185 A 15 LEU HA A 17 ILE H 1.0 . 5.82 202 186 A 21 GLY H A 24 VAL HGy% 1.0 . 5.74 203 187 A 17 ILE HG2% A 18 SER HBx 1.0 . 4.42 204 188 A 17 ILE HG2% A 18 SER HBy 1.0 . 3.92 205 189 A 17 ILE HG2% A 18 SER HA 1.0 . 3.03 206 190 A 9 SER HA A 12 THR HA 1.0 . 4.93 207 191 A 21 GLY H A 18 SER HA 1.0 . 5.26 208 192 A 15 LEU H A 14 TYR HA 1.0 . 3.52 209 193 A 15 LEU H A 16 LYS HA 1.0 . 5.31 210 194 A 19 PHE HA A 20 LEU H 1.0 . 6.00 211 195 A 19 PHE HA A 21 GLY H 1.0 . 5.67 212 196 A 22 CYS H A 24 VAL HA 1.0 . 6.00 213 197 A 22 CYS H A 24 VAL HB 1.0 . 4.75 214 198 A 15 LEU HG A 16 LYS H 1.0 . 3.83 215 199 A 22 CYS HBx A 25 VAL HGy% 1.0 . 5.90 216 200 A 22 CYS HBy A 26 ALA HB% 1.0 . 5.86 217 201 A 22 CYS HBx A 23 LYS HGy 1.0 . 5.35 218 202 A 19 PHE HA A 23 LYS H 1.0 . 4.82 219 203 A 24 VAL HA A 23 LYS HA 1.0 . 5.18 220 204 A 22 CYS HA A 25 VAL H 1.0 . 4.24 221 205 A 18 SER HBx A 14 TYR HE% 1.0 . 5.78 222 206 A 21 GLY H A 24 VAL HB 1.0 . 5.96 223 207 A 2 ALA H A 1 MET HG2 1.0 . 5.98 224 207 A 2 ALA H A 1 MET HGy 1.0 . 5.98 225 208 A 24 VAL HA A 27 LEU HD11 1.0 . 4.50 226 208 A 24 VAL HA A 27 LEU HD2% 1.0 . 4.50 227 209 A 25 VAL H A 21 GLY HAx 1.0 . 5.85 228 209 A 21 GLY HAy A 25 VAL H 1.0 . 5.85 229 210 A 23 LYS HA A 25 VAL H 1.0 . 4.43 230 211 A 23 LYS HBx A 25 VAL H 1.0 . 4.32 231 212 A 25 VAL H A 27 LEU HG 1.0 . 5.30 232 213 A 25 VAL H A 26 ALA HB% 1.0 . 4.41 233 214 A 25 VAL H A 28 LEU HD11 1.0 . 5.37 234 214 A 25 VAL H A 28 LEU HD2% 1.0 . 5.37 235 215 A 25 VAL HA A 28 LEU HD11 1.0 . 3.83 236 215 A 25 VAL HA A 28 LEU HD2% 1.0 . 3.83 237 216 A 10 TRP HBx A 12 THR H 1.0 . 5.91 238 217 A 11 LYS H A 14 TYR HBx 1.0 . 6.00 239 218 A 26 ALA H A 27 LEU HG 1.0 . 4.64 240 219 A 26 ALA H A 27 LEU HD11 1.0 . 5.88 241 219 A 26 ALA H A 27 LEU HD2% 1.0 . 5.88 242 220 A 25 VAL HA A 26 ALA HA 1.0 . 5.93 243 221 A 13 LEU H A 15 LEU H 1.0 . 4.46 244 222 A 12 THR H A 15 LEU H 1.0 . 5.62 245 223 A 9 SER H A 11 LYS H 1.0 . 5.67 246 224 A 23 LYS H A 26 ALA H 1.0 . 5.66 247 225 A 27 LEU HA A 30 ARG HE 1.0 . 5.89 248 226 A 24 VAL HA A 27 LEU HA 1.0 . 5.17 249 227 A 28 LEU H A 29 LYS HGx 1.0 . 5.36 250 227 A 28 LEU H A 29 LYS HGy 1.0 . 5.36 251 228 A 22 CYS HA A 21 GLY HAx 1.0 . 5.34 252 228 A 21 GLY HAy A 22 CYS HA 1.0 . 5.34 253 229 A 25 VAL HA A 28 LEU HA 1.0 . 5.01 254 230 A 29 LYS H A 28 LEU HD11 1.0 . 4.68 255 230 A 29 LYS H A 28 LEU HD2% 1.0 . 4.68 256 231 A 25 VAL HA A 30 ARG H 1.0 . 4.72 257 232 A 25 VAL HGx% A 30 ARG H 1.0 . 4.52 258 233 A 25 VAL HGy% A 30 ARG H 1.0 . 4.37 259 234 A 30 ARG H A 28 LEU HD11 1.0 . 5.73 260 234 A 30 ARG H A 28 LEU HD2% 1.0 . 5.73 261 235 A 30 ARG HA A 28 LEU HD11 1.0 . 5.84 262 235 A 28 LEU HD2% A 30 ARG HA 1.0 . 5.84 263 236 A 11 LYS HA A 10 TRP HZ3 1.0 . 5.36 264 237 A 11 LYS HA A 14 TYR HE% 1.0 . 5.76 265 238 A 17 ILE HD1% A 14 TYR HE% 1.0 . 5.95 266 239 A 19 PHE HD% A 20 LEU HD11 1.0 . 3.35 267 239 A 20 LEU HD2% A 19 PHE HD% 1.0 . 3.35 268 240 A 14 TYR HBx A 17 ILE HD1% 1.0 . 5.54 269 241 A 14 TYR HBy A 17 ILE HD1% 1.0 . 5.91 270 242 A 14 TYR HBx A 17 ILE HG2% 1.0 . 4.40 271 243 A 13 LEU HG A 10 TRP HBx 1.0 . 5.77 272 244 A 13 LEU HG A 10 TRP HBy 1.0 . 5.89 273 245 A 11 LYS HBy A 14 TYR HBy 1.0 . 5.67 274 246 A 10 TRP HBx A 13 LEU HD11 1.0 . 5.23 275 246 A 13 LEU HD2% A 10 TRP HBx 1.0 . 5.23 276 247 A 10 TRP HBy A 13 LEU HD11 1.0 . 5.34 277 247 A 13 LEU HD2% A 10 TRP HBy 1.0 . 5.34 278 248 A 22 CYS HBy A 19 PHE HD% 1.0 . 5.69 279 249 A 22 CYS HBx A 19 PHE HD% 1.0 . 4.95 280 250 A 14 TYR HBy A 10 TRP HZ3 1.0 . 5.94 281 251 A 14 TYR HBx A 10 TRP HZ3 1.0 . 5.66 282 252 A 10 TRP HE3 A 11 LYS HGx 1.0 . 5.83 283 252 A 11 LYS HGy A 10 TRP HE3 1.0 . 5.83 284 253 A 10 TRP HE3 A 11 LYS HGx 1.0 . 5.86 285 253 A 11 LYS HGy A 10 TRP HE3 1.0 . 5.86 286 254 A 13 LEU HG A 10 TRP HE3 1.0 . 4.73 287 255 A 19 PHE HA A 20 LEU HD11 1.0 . 5.36 288 255 A 19 PHE HA A 20 LEU HD2% 1.0 . 5.36 289 256 A 10 TRP HA A 13 LEU HD11 1.0 . 5.78 290 256 A 13 LEU HD2% A 10 TRP HA 1.0 . 5.78 291 257 A 21 GLY H A 20 LEU HA 1.0 . 3.72 292 258 A 7 LYS HA A 10 TRP HBy 1.0 . 5.99 293 259 A 9 SER H A 12 THR HG2% 1.0 . 5.55 294 260 A 9 SER HA A 12 THR HG2% 1.0 . 5.58 295 261 A 13 LEU HG A 10 TRP HA 1.0 . 6.00 296 262 A 16 LYS HA A 17 ILE HA 1.0 . 5.77 297 263 A 17 ILE HA A 18 SER HA 1.0 . 4.87 298 264 A 13 LEU HA A 16 LYS HBx 1.0 . 3.69 299 265 A 13 LEU HA A 16 LYS HBy 1.0 . 3.79 300 266 A 13 LEU HA A 12 THR HG2% 1.0 . 4.38 301 267 A 13 LEU HA A 17 ILE HD1% 1.0 . 3.98 302 268 A 14 TYR HA A 15 LEU HD11 1.0 . 6.00 303 268 A 15 LEU HD2% A 14 TYR HA 1.0 . 6.00 304 269 A 17 ILE HD1% A 14 TYR HA 1.0 . 3.83 305 270 A 17 ILE HB A 16 LYS HA 1.0 . 6.00 306 271 A 15 LEU HG A 16 LYS HA 1.0 . 5.06 307 272 A 12 THR HG2% A 16 LYS HA 1.0 . 5.58 308 273 A 17 ILE HG2% A 16 LYS HA 1.0 . 6.00 309 274 A 25 VAL HB A 26 ALA HA 1.0 . 5.44 310 275 A 22 CYS HA A 25 VAL HB 1.0 . 3.51 311 276 A 17 ILE HB A 18 SER HA 1.0 . 6.00 312 277 A 17 ILE HD1% A 18 SER HA 1.0 . 6.00 313 278 A 19 PHE HA A 18 SER HBx 1.0 . 5.76 314 279 A 19 PHE HA A 22 CYS HBy 1.0 . 4.81 315 280 A 19 PHE HA A 22 CYS HBx 1.0 . 5.16 316 281 A 19 PHE HA A 20 LEU HA 1.0 . 5.78 317 282 A 20 LEU HD2% A 21 GLY HAx 1.0 . 3.92 318 282 A 20 LEU HD11 A 21 GLY HAx 1.0 . 3.92 319 282 A 21 GLY HAy A 20 LEU HD11 1.0 . 3.92 320 282 A 20 LEU HD2% A 21 GLY HAy 1.0 . 3.92 321 283 A 20 LEU HD2% A 21 GLY HAx 1.0 . 3.17 322 283 A 20 LEU HD11 A 21 GLY HAx 1.0 . 3.17 323 283 A 21 GLY HAy A 20 LEU HD11 1.0 . 3.17 324 283 A 20 LEU HD2% A 21 GLY HAy 1.0 . 3.17 325 284 A 24 VAL HGy% A 21 GLY HAx 1.0 . 4.54 326 284 A 21 GLY HAy A 24 VAL HGy% 1.0 . 4.54 327 285 A 24 VAL HGy% A 21 GLY HAx 1.0 . 4.70 328 285 A 21 GLY HAy A 24 VAL HGy% 1.0 . 4.70 329 286 A 24 VAL HB A 21 GLY HAx 1.0 . 4.42 330 286 A 21 GLY HAy A 24 VAL HB 1.0 . 4.42 331 287 A 24 VAL HB A 21 GLY HAx 1.0 . 4.38 332 287 A 21 GLY HAy A 24 VAL HB 1.0 . 4.38 333 288 A 22 CYS HA A 21 GLY HAx 1.0 . 5.55 334 288 A 21 GLY HAy A 22 CYS HA 1.0 . 5.55 335 289 A 22 CYS HBx A 23 LYS HA 1.0 . 4.13 336 290 A 22 CYS HBy A 23 LYS HA 1.0 . 4.84 337 291 A 24 VAL HB A 23 LYS HA 1.0 . 6.00 338 292 A 24 VAL HGx% A 23 LYS HA 1.0 . 6.00 339 293 A 24 VAL HA A 23 LYS HBy 1.0 . 6.00 340 294 A 24 VAL HA A 23 LYS HBx 1.0 . 4.80 341 295 A 24 VAL HA A 27 LEU HBx 1.0 . 4.73 342 296 A 24 VAL HA A 27 LEU HG 1.0 . 4.04 343 297 A 24 VAL HA A 26 ALA HB% 1.0 . 5.62 344 298 A 24 VAL HB A 25 VAL HA 1.0 . 5.74 345 299 A 25 VAL HA A 28 LEU HG 1.0 . 4.24 346 300 A 25 VAL HA A 26 ALA HB% 1.0 . 5.37 347 301 A 26 ALA HA A 27 LEU HBx 1.0 . 5.60 348 302 A 26 ALA HA A 27 LEU HG 1.0 . 6.00 349 303 A 25 VAL HGy% A 26 ALA HA 1.0 . 5.15 350 304 A 26 ALA HA A 28 LEU HD11 1.0 . 5.81 351 304 A 26 ALA HA A 28 LEU HD2% 1.0 . 5.81 352 305 A 26 ALA HB% A 27 LEU HA 1.0 . 4.22 353 306 A 22 CYS HA A 23 LYS HBx 1.0 . 6.00 354 307 A 22 CYS HA A 25 VAL HGx% 1.0 . 3.96 355 308 A 28 LEU HA A 27 LEU HG 1.0 . 4.75 356 309 A 28 LEU HA A 29 LYS HGx 1.0 . 5.28 357 309 A 28 LEU HA A 29 LYS HGy 1.0 . 5.28 358 310 A 22 CYS HA A 25 VAL HGy% 1.0 . 3.74 359 311 A 29 LYS HA A 28 LEU HD11 1.0 . 4.39 360 311 A 29 LYS HA A 28 LEU HD2% 1.0 . 4.39 361 312 A 23 LYS HGy A 19 PHE HD% 1.0 . 5.84 362 313 A 19 PHE HE% A 23 LYS HGx 1.0 . 5.68 363 314 A 20 LEU HA A 19 PHE HE% 1.0 . 5.12 364 315 A 11 LYS H A 12 THR HB 1.0 . 4.93 365 316 A 13 LEU HG A 12 THR HB 1.0 . 4.65 366 317 A 13 LEU HG A 14 TYR HA 1.0 . 6.00 367 318 A 19 PHE HE% A 20 LEU HD11 1.0 . 3.84 368 318 A 20 LEU HD2% A 19 PHE HE% 1.0 . 3.84 369 319 A 22 CYS HBx A 19 PHE HE% 1.0 . 5.44 370 320 A 25 VAL HGy% A 28 LEU H 1.0 . 5.51 371 321 A 22 CYS HBx A 23 LYS HGx 1.0 . 4.89 372 322 A 11 LYS HBy A 10 TRP HZ2 1.0 . 5.94 373 323 A 8 ASN HA A 10 TRP H 1.0 . 4.52 374 324 A 9 SER H A 8 ASN HB2 1.0 . 4.57 375 324 A 9 SER H A 8 ASN HB3 1.0 . 4.57 376 325 A 10 TRP H A 8 ASN HB2 1.0 . 5.60 377 325 A 10 TRP H A 8 ASN HB3 1.0 . 5.60 378 326 A 10 TRP H A 13 LEU HB2 1.0 . 5.55 379 326 A 10 TRP H A 13 LEU HB3 1.0 . 5.55 380 327 A 11 LYS H A 8 ASN HB2 1.0 . 5.66 381 327 A 11 LYS H A 8 ASN HB3 1.0 . 5.66 382 328 A 12 THR H A 13 LEU HB2 1.0 . 5.38 383 328 A 12 THR H A 13 LEU HB3 1.0 . 5.38 384 329 A 14 TYR H A 13 LEU HB2 1.0 . 4.45 385 329 A 14 TYR H A 13 LEU HB3 1.0 . 4.45 386 330 A 15 LEU H A 13 LEU HB2 1.0 . 6.00 387 330 A 15 LEU H A 13 LEU HB3 1.0 . 6.00 388 331 A 16 LYS H A 19 PHE HB2 1.0 . 5.27 389 331 A 16 LYS H A 19 PHE HB3 1.0 . 5.27 390 332 A 17 ILE H A 16 LYS HD2 1.0 . 4.37 391 332 A 17 ILE H A 16 LYS HD3 1.0 . 4.37 392 333 A 18 SER H A 19 PHE HB2 1.0 . 4.92 393 333 A 18 SER H A 19 PHE HB3 1.0 . 4.92 394 334 A 18 SER H A 16 LYS HD2 1.0 . 4.86 395 334 A 18 SER H A 16 LYS HD3 1.0 . 4.86 396 335 A 18 SER H A 17 ILE HG12 1.0 . 5.26 397 335 A 18 SER H A 17 ILE HG13 1.0 . 5.26 398 336 A 20 LEU H A 19 PHE HB2 1.0 . 4.38 399 336 A 20 LEU H A 19 PHE HB3 1.0 . 4.38 400 337 A 21 GLY H A 20 LEU HB2 1.0 . 4.68 401 337 A 21 GLY H A 20 LEU HB3 1.0 . 4.68 402 338 A 24 VAL H A 23 LYS HD2 1.0 . 5.08 403 338 A 24 VAL H A 23 LYS HD3 1.0 . 5.08 404 339 A 27 LEU H A 28 LEU HB2 1.0 . 4.96 405 339 A 27 LEU H A 28 LEU HB3 1.0 . 4.96 406 340 A 10 TRP HD1 A 8 ASN HB2 1.0 . 5.76 407 340 A 10 TRP HD1 A 8 ASN HB3 1.0 . 5.76 408 341 A 10 TRP HZ2 A 11 LYS HE2 1.0 . 6.00 409 341 A 10 TRP HZ2 A 11 LYS HE3 1.0 . 6.00 410 342 A 19 PHE HD% A 23 LYS HD2 1.0 . 5.09 411 342 A 19 PHE HD% A 23 LYS HD3 1.0 . 5.09 412 343 A 14 TYR HD% A 13 LEU HB2 1.0 . 4.85 413 343 A 14 TYR HD% A 13 LEU HB3 1.0 . 4.85 414 344 A 14 TYR HD% A 15 LEU HB2 1.0 . 5.18 415 344 A 14 TYR HD% A 15 LEU HB3 1.0 . 5.18 416 345 A 14 TYR HD% A 11 LYS HD2 1.0 . 5.43 417 345 A 14 TYR HD% A 11 LYS HD3 1.0 . 5.43 418 346 A 10 TRP HE3 A 13 LEU HB2 1.0 . 5.21 419 346 A 10 TRP HE3 A 13 LEU HB3 1.0 . 5.21 420 347 A 14 TYR HBy A 13 LEU HB2 1.0 . 5.35 421 347 A 14 TYR HBy A 13 LEU HB3 1.0 . 5.35 422 348 A 14 TYR HBx A 13 LEU HB2 1.0 . 5.29 423 348 A 14 TYR HBx A 13 LEU HB3 1.0 . 5.29 424 349 A 21 GLY H A 19 PHE HB2 1.0 . 5.87 425 349 A 21 GLY H A 19 PHE HB3 1.0 . 5.87 426 350 A 19 PHE HB3 A 20 LEU HD11 1.0 . 4.74 427 350 A 19 PHE HB2 A 20 LEU HD11 1.0 . 4.74 428 350 A 20 LEU HD2% A 19 PHE HB2 1.0 . 4.74 429 350 A 20 LEU HD2% A 19 PHE HB3 1.0 . 4.74 430 351 A 16 LYS HG3 A 19 PHE HB2 1.0 . 5.71 431 351 A 16 LYS HG2 A 19 PHE HB2 1.0 . 5.71 432 351 A 19 PHE HB3 A 16 LYS HG2 1.0 . 5.71 433 351 A 19 PHE HB3 A 16 LYS HG3 1.0 . 5.71 434 352 A 20 LEU HG A 19 PHE HB2 1.0 . 6.00 435 352 A 20 LEU HG A 19 PHE HB3 1.0 . 6.00 436 353 A 17 ILE HB A 19 PHE HB2 1.0 . 6.00 437 353 A 17 ILE HB A 19 PHE HB3 1.0 . 6.00 438 354 A 19 PHE HB2 A 20 LEU HB2 1.0 . 5.05 439 354 A 20 LEU HB3 A 19 PHE HB2 1.0 . 5.05 440 354 A 19 PHE HB3 A 20 LEU HB3 1.0 . 5.05 441 354 A 19 PHE HB3 A 20 LEU HB2 1.0 . 5.05 442 355 A 16 LYS HBy A 19 PHE HB2 1.0 . 5.54 443 355 A 16 LYS HBy A 19 PHE HB3 1.0 . 5.54 444 356 A 16 LYS HBx A 19 PHE HB2 1.0 . 5.99 445 356 A 16 LYS HBx A 19 PHE HB3 1.0 . 5.99 446 357 A 20 LEU HD2% A 23 LYS HE2 1.0 . 6.00 447 357 A 20 LEU HD11 A 23 LYS HE2 1.0 . 6.00 448 357 A 23 LYS HE3 A 20 LEU HD11 1.0 . 6.00 449 357 A 20 LEU HD2% A 23 LYS HE3 1.0 . 6.00 450 358 A 27 LEU HA A 30 ARG HDx 1.0 . 5.36 451 358 A 27 LEU HA A 30 ARG HDy 1.0 . 5.36 452 359 A 17 ILE HB A 16 LYS HE2 1.0 . 5.46 453 359 A 17 ILE HB A 16 LYS HE3 1.0 . 5.46 454 360 A 12 THR HG2% A 16 LYS HE2 1.0 . 6.00 455 360 A 12 THR HG2% A 16 LYS HE3 1.0 . 6.00 456 361 A 17 ILE HG2% A 16 LYS HE2 1.0 . 6.00 457 361 A 17 ILE HG2% A 16 LYS HE3 1.0 . 6.00 458 362 A 12 THR HG2% A 8 ASN HB2 1.0 . 5.47 459 362 A 12 THR HG2% A 8 ASN HB3 1.0 . 5.47 460 363 A 11 LYS HBy A 8 ASN HB2 1.0 . 4.88 461 363 A 11 LYS HBy A 8 ASN HB3 1.0 . 4.88 462 364 A 10 TRP HBx A 13 LEU HB2 1.0 . 5.54 463 364 A 10 TRP HBx A 13 LEU HB3 1.0 . 5.54 464 365 A 10 TRP HBy A 13 LEU HB2 1.0 . 5.62 465 365 A 10 TRP HBy A 13 LEU HB3 1.0 . 5.62 466 366 A 8 ASN HB3 A 11 LYS HGx 1.0 . 5.56 467 366 A 8 ASN HB2 A 11 LYS HGx 1.0 . 5.56 468 366 A 11 LYS HGy A 8 ASN HB2 1.0 . 5.56 469 366 A 11 LYS HGy A 8 ASN HB3 1.0 . 5.56 470 367 A 10 TRP HH2 A 11 LYS HE2 1.0 . 6.00 471 367 A 11 LYS HE3 A 10 TRP HH2 1.0 . 6.00 472 368 A 19 PHE HD% A 23 LYS HE2 1.0 . 5.56 473 368 A 19 PHE HD% A 23 LYS HE3 1.0 . 5.56 474 369 A 17 ILE H A 16 LYS HG2 1.0 . 5.91 475 369 A 17 ILE H A 16 LYS HG3 1.0 . 5.91 476 370 A 14 TYR HE% A 13 LEU HB2 1.0 . 5.68 477 370 A 14 TYR HE% A 13 LEU HB3 1.0 . 5.68 478 371 A 5 HIS H A 4 LYS HD2 1.0 . 5.71 479 371 A 5 HIS H A 4 LYS HD3 1.0 . 5.71 480 372 A 7 LYS HA A 8 ASN HB2 1.0 . 5.43 481 372 A 7 LYS HA A 8 ASN HB3 1.0 . 5.43 482 373 A 10 TRP HA A 13 LEU HB2 1.0 . 5.42 483 373 A 10 TRP HA A 13 LEU HB3 1.0 . 5.42 484 374 A 13 LEU H A 11 LYS HE2 1.0 . 5.70 485 374 A 13 LEU H A 11 LYS HE3 1.0 . 5.70 486 375 A 11 LYS HA A 14 TYR HA 1.0 . 4.94 487 376 A 14 TYR HA A 17 ILE HA 1.0 . 0.00 488 377 A 14 TYR HA A 17 ILE HG12 1.0 . 4.74 489 377 A 14 TYR HA A 17 ILE HG13 1.0 . 4.74 490 378 A 15 LEU HA A 15 LEU HB2 1.0 . 4.18 491 378 A 15 LEU HA A 15 LEU HB3 1.0 . 4.18 492 379 A 16 LYS HA A 19 PHE HB2 1.0 . 4.37 493 379 A 16 LYS HA A 19 PHE HB3 1.0 . 4.37 494 380 A 11 LYS HA A 13 LEU HB2 1.0 . 5.19 495 380 A 11 LYS HA A 13 LEU HB3 1.0 . 5.19 496 381 A 17 ILE HA A 16 LYS HD2 1.0 . 4.41 497 381 A 17 ILE HA A 16 LYS HD3 1.0 . 4.41 498 382 A 18 SER HA A 19 PHE HB2 1.0 . 6.00 499 382 A 18 SER HA A 19 PHE HB3 1.0 . 6.00 500 383 A 18 SER HA A 16 LYS HD2 1.0 . 6.00 501 383 A 18 SER HA A 16 LYS HD3 1.0 . 6.00 502 384 A 13 LEU HA A 16 LYS HG2 1.0 . 5.03 503 384 A 13 LEU HA A 16 LYS HG3 1.0 . 5.03 504 385 A 18 SER HA A 17 ILE HG12 1.0 . 5.05 505 385 A 18 SER HA A 17 ILE HG13 1.0 . 5.05 506 386 A 20 LEU HA A 19 PHE HB2 1.0 . 5.10 507 386 A 20 LEU HA A 19 PHE HB3 1.0 . 5.10 508 387 A 25 VAL HA A 29 LYS HD2 1.0 . 5.88 509 387 A 25 VAL HA A 29 LYS HD3 1.0 . 5.88 510 388 A 26 ALA HA A 28 LEU HB2 1.0 . 6.00 511 388 A 26 ALA HA A 28 LEU HB3 1.0 . 6.00 512 389 A 27 LEU HA A 28 LEU HB2 1.0 . 6.00 513 389 A 27 LEU HA A 28 LEU HB3 1.0 . 6.00 514 390 A 27 LEU HA A 30 ARG HGx 1.0 . 5.11 515 390 A 27 LEU HA A 30 ARG HGy 1.0 . 5.11 516 391 A 29 LYS HA A 30 ARG HGx 1.0 . 5.45 517 391 A 29 LYS HA A 30 ARG HGy 1.0 . 5.45 518 392 A 19 PHE HE% A 23 LYS HD2 1.0 . 5.26 519 392 A 19 PHE HE% A 23 LYS HD3 1.0 . 5.26 520 393 A 25 VAL HA A 28 LEU HB2 1.0 . 4.38 521 393 A 25 VAL HA A 28 LEU HB3 1.0 . 4.38 522 394 A 12 THR HB A 13 LEU HB2 1.0 . 6.00 523 394 A 12 THR HB A 13 LEU HB3 1.0 . 6.00 524 395 A 11 LYS HBx A 8 ASN HB2 1.0 . 5.33 525 395 A 11 LYS HBx A 8 ASN HB3 1.0 . 5.33 526 396 A 8 ASN HB3 A 11 LYS HD2 1.0 . 4.94 527 396 A 8 ASN HB2 A 11 LYS HD2 1.0 . 4.94 528 396 A 11 LYS HD3 A 8 ASN HB2 1.0 . 4.94 529 396 A 8 ASN HB3 A 11 LYS HD3 1.0 . 4.94 530 397 A 7 LYS HGy A 8 ASN HB2 1.0 . 5.96 531 397 A 7 LYS HGy A 8 ASN HB3 1.0 . 5.96 532 398 A 12 THR HG2% A 11 LYS HE2 1.0 . 4.85 533 398 A 12 THR HG2% A 11 LYS HE3 1.0 . 4.85 534 399 A 19 PHE HD% A 20 LEU HB2 1.0 . 4.89 535 399 A 19 PHE HD% A 20 LEU HB3 1.0 . 4.89 536 400 A 19 PHE HE% A 23 LYS HE2 1.0 . 5.86 537 400 A 19 PHE HE% A 23 LYS HE3 1.0 . 5.86 538 401 A 19 PHE HE% A 20 LEU HB2 1.0 . 5.57 539 401 A 19 PHE HE% A 20 LEU HB3 1.0 . 5.57 540 402 A 7 LYS HBx A 8 ASN HB2 1.0 . 5.60 541 402 A 7 LYS HBy A 8 ASN HB2 1.0 . 5.60 542 402 A 8 ASN HB3 A 7 LYS HBx 1.0 . 5.60 543 402 A 7 LYS HBy A 8 ASN HB3 1.0 . 5.60 544 403 A 12 THR H A 15 LEU HB2 1.0 . 5.56 545 403 A 12 THR H A 15 LEU HB3 1.0 . 5.56 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 8 ASN C A 9 SER N A 9 SER CA A 9 SER C 1.0 -83.4 -43.4 PHI 2 2 A 9 SER N A 9 SER CA A 9 SER C A 10 TRP N 1.0 -60.7 -19.9 PSI 3 3 A 9 SER C A 10 TRP N A 10 TRP CA A 10 TRP C 1.0 -99.5 -38.1 PHI 4 4 A 10 TRP N A 10 TRP CA A 10 TRP C A 11 LYS N 1.0 -71.9 -2.1 PSI 5 5 A 10 TRP C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -86.1 -46.1 PHI 6 6 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 THR N 1.0 -60.9 -11.3 PSI 7 7 A 11 LYS C A 12 THR N A 12 THR CA A 12 THR C 1.0 -95.4 -48.0 PHI 8 8 A 12 THR N A 12 THR CA A 12 THR C A 13 LEU N 1.0 -67.6 4.0 PSI 9 9 A 12 THR C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -102.4 -42.4 PHI 10 10 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 TYR N 1.0 -67.2 1.8 PSI 11 11 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -86.5 -44.1 PHI 12 12 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 LEU N 1.0 -60.5 -20.5 PSI 13 13 A 14 TYR C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -86.6 -46.6 PHI 14 14 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LYS N 1.0 -61.5 -21.5 PSI 15 15 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -86.0 -46.0 PHI 16 16 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ILE N 1.0 -60.0 -20.0 PSI 17 17 A 16 LYS C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -86.5 -43.9 PHI 18 18 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 SER N 1.0 -56.2 -16.2 PSI 19 19 A 17 ILE C A 18 SER N A 18 SER CA A 18 SER C 1.0 -85.2 -45.2 PHI 20 20 A 18 SER N A 18 SER CA A 18 SER C A 19 PHE N 1.0 -61.3 -21.3 PSI 21 21 A 18 SER C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -85.1 -45.1 PHI 22 22 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 LEU N 1.0 -63.9 -23.9 PSI 23 23 A 19 PHE C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -82.8 -42.8 PHI 24 24 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLY N 1.0 -64.5 -24.5 PSI 25 25 A 20 LEU C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -83.9 -43.9 PHI 26 26 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 CYS N 1.0 -58.8 -10.8 PSI 27 27 A 21 GLY C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -83.0 -43.0 PHI 28 28 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 LYS N 1.0 -64.0 -24.0 PSI 29 29 A 22 CYS C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -84.9 -44.9 PHI 30 30 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 VAL N 1.0 -64.9 -13.1 PSI 31 31 A 23 LYS C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -83.6 -43.6 PHI 32 32 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 VAL N 1.0 -63.4 -23.0 PSI 33 33 A 24 VAL C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -81.6 -41.6 PHI 34 34 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 ALA N 1.0 -62.4 -22.4 PSI 35 35 A 25 VAL C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -85.5 -45.5 PHI 36 36 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 LEU N 1.0 -57.5 -17.5 PSI 37 37 A 26 ALA C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -86.1 -46.1 PHI 38 38 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 LEU N 1.0 -59.2 -15.4 PSI 39 39 A 27 LEU C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -83.9 -43.9 PHI 40 40 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LYS N 1.0 -65.8 -8.2 PSI 41 41 A 28 LEU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -83.8 -43.8 PHI 42 42 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ARG N 1.0 -60.0 -20.0 PSI stop_ save_