data_nef_c18617_2lwa 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2KXA BMRB 16907 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 GLY start . false 2 A 2 LEU middle . . 3 A 3 PHE middle . . 4 A 4 GLY middle . false 5 A 5 ALA middle . . 6 A 6 ILE middle . . 7 A 7 ALA middle . . 8 A 8 ALA middle . . 9 A 9 PHE middle . . 10 A 10 ILE middle . . 11 A 11 GLU middle . . 12 A 12 GLY middle . false 13 A 13 GLY middle . false 14 A 14 TRP middle . . 15 A 15 THR middle . . 16 A 16 GLY middle . false 17 A 17 MET middle . . 18 A 18 ILE middle . . 19 A 19 ASP middle . . 20 A 20 GLY middle . false 21 A 21 TRP middle . . 22 A 22 TYR middle . . 23 A 23 GLY middle . false 24 A 24 SER middle . . 25 A 25 GLY middle . false 26 A 26 LYS middle . . 27 A 27 LYS middle . . 28 A 28 LYS middle . . 29 A 29 LYS middle . . 30 A 30 ASP end . . 31 B 1 GLY start . false 32 B 2 LEU middle . . 33 B 3 PHE middle . . 34 B 4 GLY middle . false 35 B 5 ALA middle . . 36 B 6 ILE middle . . 37 B 7 ALA middle . . 38 B 8 ALA middle . . 39 B 9 PHE middle . . 40 B 10 ILE middle . . 41 B 11 GLU middle . . 42 B 12 GLY middle . false 43 B 13 GLY middle . false 44 B 14 TRP middle . . 45 B 15 THR middle . . 46 B 16 GLY middle . false 47 B 17 MET middle . . 48 B 18 ILE middle . . 49 B 19 ASP middle . . 50 B 20 GLY middle . false 51 B 21 TRP middle . . 52 B 22 TYR middle . . 53 B 23 GLY middle . false 54 B 24 SER middle . . 55 B 25 GLY middle . false 56 B 26 LYS middle . . 57 B 27 LYS middle . . 58 B 28 LYS middle . . 59 B 29 LYS middle . . 60 B 30 ASP end . . 61 C 1 GLY start . false 62 C 2 LEU middle . . 63 C 3 PHE middle . . 64 C 4 GLY middle . false 65 C 5 ALA middle . . 66 C 6 ILE middle . . 67 C 7 ALA middle . . 68 C 8 ALA middle . . 69 C 9 PHE middle . . 70 C 10 ILE middle . . 71 C 11 GLU middle . . 72 C 12 GLY middle . false 73 C 13 GLY middle . false 74 C 14 TRP middle . . 75 C 15 THR middle . . 76 C 16 GLY middle . false 77 C 17 MET middle . . 78 C 18 ILE middle . . 79 C 19 ASP middle . . 80 C 20 GLY middle . false 81 C 21 TRP middle . . 82 C 22 TYR middle . . 83 C 23 GLY middle . false 84 C 24 SER middle . . 85 C 25 GLY middle . false 86 C 26 LYS middle . . 87 C 27 LYS middle . . 88 C 28 LYS middle . . 89 C 29 LYS middle . . 90 C 30 ASP 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 1 GLY HAy H 1 4.03 0.01 A 1 GLY HAx H 1 3.8 0.01 A 1 GLY CA C 13 43.9 0.1 A 2 LEU HA H 1 4.12 0.01 A 2 LEU CA C 13 58.6 0.1 A 3 PHE H H 1 8.94 0.01 A 3 PHE HA H 1 4.26 0.01 A 3 PHE CA C 13 61.6 0.1 A 3 PHE N N 15 117.1 0.1 A 4 GLY H H 1 8.52 0.01 A 4 GLY HAy H 1 4.01 0.01 A 4 GLY HAx H 1 3.84 0.01 A 4 GLY CA C 13 46.9 0.1 A 4 GLY N N 15 107.3 0.1 A 5 ALA H H 1 8.12 0.01 A 5 ALA HA H 1 4.26 0.01 A 5 ALA CA C 13 55.1 0.1 A 5 ALA N N 15 124.9 0.1 A 6 ILE H H 1 8.04 0.01 A 6 ILE HA H 1 3.76 0.01 A 6 ILE CA C 13 65.1 0.1 A 6 ILE N N 15 117.7 0.1 A 7 ALA H H 1 8.34 0.01 A 7 ALA HA H 1 3.97 0.01 A 7 ALA CA C 13 55.5 0.1 A 7 ALA N N 15 121.4 0.1 A 8 ALA H H 1 7.87 0.01 A 8 ALA HA H 1 4.23 0.01 A 8 ALA CA C 13 54.6 0.1 A 8 ALA N N 15 118.5 0.1 A 9 PHE H H 1 8.06 0.01 A 9 PHE HA H 1 4.4 0.01 A 9 PHE CA C 13 60.6 0.1 A 9 PHE N N 15 120 0.1 A 10 ILE H H 1 8.14 0.01 A 10 ILE HA H 1 3.74 0.01 A 10 ILE CA C 13 64.1 0.1 A 10 ILE N N 15 117.8 0.1 A 11 GLU H H 1 7.93 0.01 A 11 GLU HA H 1 4.12 0.01 A 11 GLU CA C 13 58.6 0.1 A 11 GLU N N 15 118.8 0.1 A 12 GLY H H 1 8.06 0.01 A 12 GLY HAy H 1 4.16 0.01 A 12 GLY HAx H 1 3.87 0.01 A 12 GLY CA C 13 45.8 0.1 A 12 GLY N N 15 105.3 0.1 A 13 GLY H H 1 8.22 0.01 A 13 GLY HAy H 1 4.01 0.01 A 13 GLY HAx H 1 3.69 0.01 A 13 GLY CA C 13 45.6 0.1 A 13 GLY N N 15 109.5 0.1 A 14 TRP H H 1 8.47 0.01 A 14 TRP HA H 1 4.47 0.01 A 14 TRP CA C 13 59.7 0.1 A 14 TRP N N 15 121.5 0.1 A 15 THR H H 1 8.16 0.01 A 15 THR HA H 1 3.91 0.01 A 15 THR CA C 13 65.4 0.1 A 15 THR N N 15 112.2 0.1 A 16 GLY H H 1 7.82 0.01 A 16 GLY HAy H 1 3.98 0.01 A 16 GLY HAx H 1 3.79 0.01 A 16 GLY CA C 13 46.6 0.1 A 16 GLY N N 15 109.3 0.1 A 17 MET H H 1 7.95 0.01 A 17 MET HA H 1 4.23 0.01 A 17 MET CA C 13 58.3 0.1 A 17 MET N N 15 120.8 0.1 A 18 ILE H H 1 7.89 0.01 A 18 ILE HA H 1 3.93 0.01 A 18 ILE CA C 13 63.5 0.1 A 18 ILE N N 15 117.5 0.1 A 19 ASP H H 1 8.15 0.01 A 19 ASP HA H 1 4.54 0.01 A 19 ASP CA C 13 57 0.1 A 19 ASP N N 15 120.7 0.1 A 20 GLY H H 1 8.17 0.01 A 20 GLY HAy H 1 3.94 0.01 A 20 GLY HAx H 1 3.86 0.01 A 20 GLY CA C 13 46.4 0.1 A 20 GLY N N 15 107 0.1 A 21 TRP H H 1 8.13 0.01 A 21 TRP HA H 1 4.5 0.01 A 21 TRP CA C 13 59.2 0.1 A 21 TRP N N 15 121.7 0.1 A 22 TYR H H 1 8.16 0.01 A 22 TYR HA H 1 4.35 0.01 A 22 TYR CA C 13 59.4 0.1 A 22 TYR N N 15 116.1 0.1 A 23 GLY H H 1 8.04 0.01 A 23 GLY HA2 H 1 4.03 0.01 A 23 GLY HA3 H 1 4.03 0.01 A 23 GLY CA C 13 45.8 0.1 A 23 GLY N N 15 108.4 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 2 LEU HA A 2 LEU HBx 1.0 1.87 3.13 2 1 A 2 LEU HBy A 2 LEU HA 1.0 1.87 3.13 3 2 A 2 LEU HA A 2 LEU HD21 1.0 1.43 3.09 4 2 A 2 LEU HA A 2 LEU HD11 1.0 1.43 3.09 5 3 A 2 LEU HD21 A 3 PHE HA 1.0 2.05 3.65 6 3 A 2 LEU HD11 A 3 PHE HA 1.0 2.05 3.65 7 4 A 2 LEU HA A 2 LEU HG 1.0 2.85 4.75 8 5 A 3 PHE HA A 3 PHE HBx 1.0 1.80 3.00 9 5 A 3 PHE HA A 3 PHE HBy 1.0 1.80 3.00 10 6 A 5 ALA HB1 A 5 ALA HA 1.0 1.50 2.50 11 7 A 5 ALA HB1 A 6 ILE HA 1.0 3.07 5.13 12 8 A 6 ILE HA A 6 ILE HB 1.0 2.55 4.25 13 9 A 6 ILE HB A 7 ALA HA 1.0 4.05 6.75 14 10 A 6 ILE HA A 6 ILE HD11 1.0 2.47 4.13 15 11 A 6 ILE HA A 6 ILE HG1y 1.0 1.95 3.25 16 11 A 6 ILE HA A 6 ILE HG1x 1.0 1.95 3.25 17 12 A 6 ILE HA A 6 ILE HG21 1.0 1.80 3.00 18 13 A 7 ALA HA A 6 ILE HG21 1.0 2.40 4.00 19 14 A 6 ILE HA A 7 ALA HB1 1.0 3.90 6.50 20 15 A 7 ALA HA A 7 ALA HB1 1.0 1.65 2.75 21 16 A 7 ALA HA A 8 ALA HB1 1.0 3.00 5.00 22 17 A 8 ALA HB1 A 8 ALA HA 1.0 1.42 2.38 23 18 A 8 ALA HB1 A 9 PHE HA 1.0 3.00 5.00 24 19 A 9 PHE HA A 9 PHE HBx 1.0 1.87 3.13 25 19 A 9 PHE HA A 9 PHE HBy 1.0 1.87 3.13 26 20 A 10 ILE HB A 10 ILE HA 1.0 2.40 4.00 27 21 A 10 ILE HA A 10 ILE HD11 1.0 2.40 4.00 28 22 A 10 ILE HA A 10 ILE HG1x 1.0 2.10 3.50 29 22 A 10 ILE HA A 10 ILE HG1y 1.0 2.10 3.50 30 23 A 10 ILE HA A 10 ILE HG21 1.0 1.80 3.00 31 24 A 11 GLU HA A 11 GLU HBx 1.0 1.87 3.13 32 24 A 11 GLU HBy A 11 GLU HA 1.0 1.87 3.13 33 25 A 11 GLU HA A 11 GLU HGx 1.0 2.40 4.00 34 25 A 11 GLU HA A 11 GLU HGy 1.0 2.40 4.00 35 26 A 14 TRP HA A 14 TRP HBx 1.0 1.80 3.00 36 26 A 14 TRP HBy A 14 TRP HA 1.0 1.80 3.00 37 27 A 14 TRP HA A 15 THR HG21 1.0 4.35 7.25 38 28 A 15 THR HG21 A 15 THR HA 1.0 1.72 2.88 39 29 A 15 THR HG21 A 16 GLY HAy 1.0 3.60 6.00 40 30 A 17 MET HA A 17 MET HBx 1.0 1.95 3.25 41 30 A 17 MET HBy A 17 MET HA 1.0 1.95 3.25 42 31 A 18 ILE HA A 17 MET HBx 1.0 3.57 8.63 43 31 A 17 MET HBy A 18 ILE HA 1.0 3.57 8.63 44 32 A 17 MET HA A 17 MET HE1 1.0 3.15 5.25 45 33 A 18 ILE HA A 17 MET HE1 1.0 3.60 6.00 46 34 A 17 MET HA A 17 MET HGx 1.0 2.17 3.63 47 34 A 17 MET HA A 17 MET HGy 1.0 2.17 3.63 48 35 A 18 ILE HA A 18 ILE HB 1.0 2.40 4.00 49 36 A 18 ILE HA A 18 ILE HD11 1.0 2.17 3.63 50 37 A 18 ILE HD11 A 19 ASP HA 1.0 4.42 7.38 51 38 A 18 ILE HA A 18 ILE HG1x 1.0 2.32 3.88 52 38 A 18 ILE HA A 18 ILE HG1y 1.0 2.32 3.88 53 39 A 18 ILE HA A 18 ILE HG21 1.0 1.87 3.13 54 40 A 19 ASP HA A 18 ILE HG21 1.0 2.62 4.38 55 41 A 19 ASP HA A 19 ASP HBx 1.0 1.87 3.13 56 41 A 19 ASP HA A 19 ASP HBy 1.0 1.87 3.13 57 42 A 21 TRP HA A 21 TRP HBx 1.0 2.10 3.50 58 42 A 21 TRP HBy A 21 TRP HA 1.0 2.10 3.50 59 43 A 2 LEU HD11 A 2 LEU HBx 1.0 1.68 3.12 60 43 A 2 LEU HBy A 2 LEU HD11 1.0 1.68 3.12 61 44 A 2 LEU HD21 A 2 LEU HBx 1.0 1.61 2.99 62 44 A 2 LEU HBy A 2 LEU HD21 1.0 1.61 2.99 63 45 A 2 LEU HD11 A 2 LEU HG 1.0 1.96 3.64 64 46 A 2 LEU HD21 A 2 LEU HG 1.0 1.75 3.25 65 47 A 6 ILE HB A 6 ILE HD11 1.0 1.82 3.38 66 48 A 6 ILE HD11 A 6 ILE HG1x 1.0 1.47 2.73 67 48 A 6 ILE HD11 A 6 ILE HG21 1.0 1.47 2.73 68 48 A 6 ILE HD11 A 6 ILE HG1y 1.0 1.47 2.73 69 49 A 6 ILE HB A 6 ILE HG21 1.0 1.61 2.99 70 50 A 8 ALA HB1 A 9 PHE HBx 1.0 3.43 6.37 71 50 A 8 ALA HB1 A 9 PHE HBy 1.0 3.43 6.37 72 51 A 10 ILE HB A 10 ILE HD11 1.0 1.89 3.51 73 52 A 10 ILE HD11 A 10 ILE HG1x 1.0 1.54 2.86 74 52 A 10 ILE HD11 A 10 ILE HG1y 1.0 1.54 2.86 75 53 A 10 ILE HG21 A 9 PHE HBx 1.0 2.87 5.33 76 53 A 9 PHE HBy A 10 ILE HG21 1.0 2.87 5.33 77 54 A 10 ILE HB A 10 ILE HG21 1.0 1.61 2.99 78 55 A 10 ILE HG21 A 10 ILE HG1x 1.0 1.61 2.99 79 55 A 10 ILE HG1y A 10 ILE HG21 1.0 1.61 2.99 80 56 A 10 ILE HG21 A 11 GLU HGx 1.0 2.94 5.46 81 56 A 10 ILE HG21 A 11 GLU HGy 1.0 2.94 5.46 82 57 A 11 GLU HBy A 11 GLU HGx 1.0 1.82 3.38 83 57 A 11 GLU HBx A 11 GLU HGx 1.0 1.82 3.38 84 57 A 11 GLU HGy A 11 GLU HBx 1.0 1.82 3.38 85 57 A 11 GLU HBy A 11 GLU HGy 1.0 1.82 3.38 86 58 A 15 THR HG21 A 15 THR HB 1.0 1.61 2.99 87 59 A 17 MET HBx A 17 MET HGx 1.0 1.82 3.38 88 59 A 17 MET HBy A 17 MET HGx 1.0 1.82 3.38 89 59 A 17 MET HGy A 17 MET HBx 1.0 1.82 3.38 90 59 A 17 MET HBy A 17 MET HGy 1.0 1.82 3.38 91 60 A 17 MET HE1 A 17 MET HBx 1.0 2.03 3.77 92 60 A 17 MET HBy A 17 MET HE1 1.0 2.03 3.77 93 61 A 17 MET HE1 A 17 MET HGx 1.0 2.17 4.03 94 61 A 17 MET HE1 A 17 MET HGy 1.0 2.17 4.03 95 62 A 18 ILE HB A 18 ILE HD11 1.0 2.03 3.77 96 63 A 18 ILE HD11 A 18 ILE HG1x 1.0 1.61 2.99 97 63 A 18 ILE HD11 A 18 ILE HG1y 1.0 1.61 2.99 98 64 A 18 ILE HB A 18 ILE HG1x 1.0 2.03 3.77 99 64 A 18 ILE HB A 18 ILE HG1y 1.0 2.03 3.77 100 65 A 18 ILE HG21 A 17 MET HBx 1.0 2.94 5.46 101 65 A 17 MET HBy A 18 ILE HG21 1.0 2.94 5.46 102 66 A 18 ILE HB A 18 ILE HG21 1.0 1.61 2.99 103 67 A 18 ILE HG21 A 18 ILE HG1x 1.0 1.68 3.12 104 67 A 18 ILE HG1y A 18 ILE HG21 1.0 1.68 3.12 105 68 A 3 PHE HA A 3 PHE HZ 1.0 2.32 3.88 106 68 A 3 PHE HA A 3 PHE HE% 1.0 2.32 3.88 107 68 A 3 PHE HA A 3 PHE HD% 1.0 2.32 3.88 108 69 A 9 PHE HA A 9 PHE HZ 1.0 2.25 3.75 109 69 A 9 PHE HA A 9 PHE HE% 1.0 2.25 3.75 110 69 A 9 PHE HA A 9 PHE HD% 1.0 2.25 3.75 111 70 A 14 TRP HA A 14 TRP HD1 1.0 3.15 5.25 112 71 A 14 TRP HA A 14 TRP HE3 1.0 2.10 3.50 113 72 A 14 TRP HA A 14 TRP HZ3 1.0 4.57 7.63 114 73 A 15 THR HA A 14 TRP HD1 1.0 3.07 5.13 115 74 A 15 THR HA A 14 TRP HE3 1.0 3.37 5.63 116 75 A 21 TRP HA A 21 TRP HD1 1.0 2.62 4.38 117 76 A 21 TRP HA A 21 TRP HE3 1.0 2.32 3.88 118 77 A 21 TRP HD1 A 22 TYR HA 1.0 4.12 6.88 119 78 A 21 TRP HE3 A 22 TYR HA 1.0 4.35 7.25 120 79 A 22 TYR HA A 22 TYR HD% 1.0 2.10 3.50 121 80 A 22 TYR HA A 22 TYR HE% 1.0 4.35 7.25 122 81 A 3 PHE HZ A 2 LEU HBx 1.0 3.43 6.37 123 81 A 2 LEU HBy A 3 PHE HE% 1.0 3.43 6.37 124 81 A 2 LEU HBy A 3 PHE HD% 1.0 3.43 6.37 125 81 A 3 PHE HD% A 2 LEU HBx 1.0 3.43 6.37 126 81 A 2 LEU HBy A 3 PHE HZ 1.0 3.43 6.37 127 81 A 3 PHE HE% A 2 LEU HBx 1.0 3.43 6.37 128 82 A 2 LEU HD21 A 3 PHE HZ 1.0 2.59 4.81 129 82 A 2 LEU HD21 A 3 PHE HE% 1.0 2.59 4.81 130 82 A 2 LEU HD21 A 3 PHE HD% 1.0 2.59 4.81 131 83 A 2 LEU HG A 3 PHE HZ 1.0 3.85 7.15 132 83 A 2 LEU HG A 3 PHE HE% 1.0 3.85 7.15 133 83 A 2 LEU HG A 3 PHE HD% 1.0 3.85 7.15 134 84 A 3 PHE HE% A 3 PHE HBx 1.0 2.10 3.90 135 84 A 3 PHE HBy A 3 PHE HE% 1.0 2.10 3.90 136 84 A 3 PHE HD% A 3 PHE HBx 1.0 2.10 3.90 137 84 A 3 PHE HBy A 3 PHE HD% 1.0 2.10 3.90 138 84 A 3 PHE HZ A 3 PHE HBx 1.0 2.10 3.90 139 84 A 3 PHE HBy A 3 PHE HZ 1.0 2.10 3.90 140 85 A 8 ALA HB1 A 9 PHE HZ 1.0 3.43 6.37 141 85 A 8 ALA HB1 A 9 PHE HE% 1.0 3.43 6.37 142 85 A 8 ALA HB1 A 9 PHE HD% 1.0 3.43 6.37 143 86 A 9 PHE HD% A 9 PHE HBx 1.0 2.03 3.77 144 86 A 9 PHE HBy A 9 PHE HD% 1.0 2.03 3.77 145 86 A 9 PHE HBy A 9 PHE HE% 1.0 2.03 3.77 146 86 A 9 PHE HZ A 9 PHE HBx 1.0 2.03 3.77 147 86 A 9 PHE HE% A 9 PHE HBx 1.0 2.03 3.77 148 86 A 9 PHE HBy A 9 PHE HZ 1.0 2.03 3.77 149 87 A 10 ILE HD11 A 9 PHE HZ 1.0 2.80 5.20 150 87 A 10 ILE HD11 A 9 PHE HE% 1.0 2.80 5.20 151 87 A 10 ILE HD11 A 9 PHE HD% 1.0 2.80 5.20 152 88 A 9 PHE HE% A 10 ILE HG1x 1.0 2.87 5.33 153 88 A 10 ILE HG1y A 9 PHE HD% 1.0 2.87 5.33 154 88 A 10 ILE HG1y A 9 PHE HE% 1.0 2.87 5.33 155 88 A 9 PHE HD% A 10 ILE HG1x 1.0 2.87 5.33 156 88 A 9 PHE HZ A 10 ILE HG1x 1.0 2.87 5.33 157 88 A 10 ILE HG1y A 9 PHE HZ 1.0 2.87 5.33 158 89 A 10 ILE HG21 A 9 PHE HZ 1.0 2.59 4.81 159 89 A 10 ILE HG21 A 9 PHE HE% 1.0 2.59 4.81 160 89 A 10 ILE HG21 A 9 PHE HD% 1.0 2.59 4.81 161 90 A 14 TRP HD1 A 14 TRP HBx 1.0 1.96 3.64 162 90 A 14 TRP HBy A 14 TRP HD1 1.0 1.96 3.64 163 91 A 14 TRP HE3 A 14 TRP HBx 1.0 2.10 3.90 164 91 A 14 TRP HBy A 14 TRP HE3 1.0 2.10 3.90 165 92 A 15 THR HB A 14 TRP HD1 1.0 4.41 8.19 166 93 A 15 THR HG21 A 14 TRP HD1 1.0 2.59 4.81 167 94 A 15 THR HG21 A 14 TRP HH2 1.0 3.85 7.15 168 95 A 15 THR HG21 A 14 TRP HE3 1.0 3.43 6.37 169 96 A 15 THR HG21 A 14 TRP HZ2 1.0 3.57 6.63 170 97 A 15 THR HG21 A 14 TRP HZ3 1.0 3.71 6.89 171 98 A 21 TRP HD1 A 21 TRP HBx 1.0 2.66 4.94 172 98 A 21 TRP HBy A 21 TRP HD1 1.0 2.66 4.94 173 99 A 21 TRP HE3 A 21 TRP HBx 1.0 2.45 4.55 174 99 A 21 TRP HBy A 21 TRP HE3 1.0 2.45 4.55 175 100 A 22 TYR HE% A 21 TRP HBx 1.0 4.27 7.93 176 100 A 21 TRP HBy A 22 TYR HE% 1.0 4.27 7.93 177 101 A 21 TRP HD1 A 22 TYR HD% 1.0 3.43 6.37 178 102 A 21 TRP HD1 A 22 TYR HE% 1.0 3.36 6.24 179 103 A 22 TYR HD% A 22 TYR HBx 1.0 1.75 3.25 180 103 A 22 TYR HD% A 22 TYR HBy 1.0 1.75 3.25 181 104 A 22 TYR HE% A 22 TYR HBx 1.0 3.43 6.37 182 104 A 22 TYR HE% A 22 TYR HBy 1.0 3.43 6.37 183 105 A 21 TRP HE3 A 22 TYR HE% 1.0 3.71 6.89 184 106 A 2 LEU HA A 3 PHE H 1.0 3.20 4.80 185 107 A 3 PHE HA A 3 PHE H 1.0 2.24 3.36 186 108 A 5 ALA HA A 4 GLY H 1.0 3.12 4.68 187 108 A 3 PHE HA A 4 GLY H 1.0 3.12 4.68 188 109 A 5 ALA HA A 6 ILE H 1.0 2.32 3.48 189 109 A 3 PHE HA A 6 ILE H 1.0 2.32 3.48 190 110 A 3 PHE H A 4 GLY HAx 1.0 3.60 5.40 191 111 A 4 GLY H A 4 GLY HAx 1.0 2.08 3.12 192 112 A 4 GLY H A 4 GLY HAy 1.0 2.40 3.60 193 113 A 5 ALA H A 4 GLY HAx 1.0 2.48 3.72 194 114 A 5 ALA H A 4 GLY HAy 1.0 2.64 3.96 195 115 A 3 PHE H A 4 GLY H 1.0 2.32 3.48 196 116 A 5 ALA HA A 5 ALA H 1.0 2.00 3.00 197 117 A 4 GLY H A 5 ALA H 1.0 2.32 3.48 198 118 A 6 ILE H A 5 ALA H 1.0 1.76 2.64 199 119 A 6 ILE HA A 6 ILE H 1.0 2.24 3.36 200 120 A 6 ILE HA A 7 ALA H 1.0 3.12 4.68 201 121 A 7 ALA HA A 7 ALA H 1.0 2.08 3.12 202 122 A 7 ALA HA A 7 ALA H 1.0 2.96 4.44 203 123 A 6 ILE H A 7 ALA H 1.0 1.76 2.64 204 124 A 7 ALA H A 8 ALA H 1.0 1.84 2.76 205 125 A 8 ALA HA A 8 ALA H 1.0 1.92 2.88 206 126 A 8 ALA HA A 9 PHE H 1.0 2.88 4.32 207 127 A 8 ALA H A 9 PHE H 1.0 1.84 2.76 208 128 A 9 PHE HA A 9 PHE H 1.0 2.16 3.24 209 129 A 9 PHE HA A 10 ILE H 1.0 3.04 4.56 210 130 A 10 ILE HA A 10 ILE H 1.0 2.24 3.36 211 131 A 10 ILE HA A 11 GLU H 1.0 2.56 3.84 212 132 A 11 GLU HA A 11 GLU H 1.0 2.08 3.12 213 133 A 12 GLY H A 12 GLY HAy 1.0 2.00 3.00 214 134 A 12 GLY H A 12 GLY HAx 1.0 1.92 2.88 215 135 A 13 GLY H A 12 GLY HAy 1.0 3.04 4.56 216 136 A 13 GLY H A 13 GLY HAx 1.0 2.40 3.60 217 137 A 13 GLY H A 13 GLY HAy 1.0 2.40 3.60 218 138 A 14 TRP H A 13 GLY HAx 1.0 2.48 3.72 219 139 A 14 TRP HA A 14 TRP H 1.0 2.56 3.84 220 140 A 15 THR HA A 15 THR H 1.0 2.48 3.72 221 141 A 15 THR HA A 16 GLY H 1.0 2.72 4.08 222 142 A 16 GLY H A 16 GLY HAy 1.0 2.48 3.72 223 143 A 16 GLY H A 16 GLY HAx 1.0 2.32 3.48 224 144 A 17 MET H A 16 GLY HAy 1.0 2.80 4.20 225 145 A 17 MET H A 16 GLY HAx 1.0 2.64 3.96 226 146 A 17 MET HA A 17 MET H 1.0 2.16 3.24 227 147 A 17 MET HA A 18 ILE H 1.0 2.72 4.08 228 148 A 18 ILE HA A 18 ILE H 1.0 2.08 3.12 229 149 A 19 ASP HA A 19 ASP H 1.0 2.32 3.48 230 150 A 19 ASP HA A 20 GLY H 1.0 2.80 4.20 231 151 A 20 GLY H A 20 GLY HAy 1.0 1.60 2.40 232 151 A 20 GLY H A 20 GLY HAx 1.0 1.60 2.40 233 152 A 21 TRP H A 20 GLY HAy 1.0 2.00 3.00 234 152 A 20 GLY HAx A 21 TRP H 1.0 2.00 3.00 235 153 A 21 TRP HA A 21 TRP H 1.0 1.92 2.88 236 154 A 21 TRP HA A 22 TYR H 1.0 2.80 4.20 237 155 A 22 TYR HA A 22 TYR H 1.0 2.16 3.24 238 156 A 22 TYR HA A 23 GLY H 1.0 3.20 4.80 239 157 A 3 PHE H A 3 PHE HBx 1.0 1.65 2.75 240 157 A 3 PHE HBy A 3 PHE H 1.0 1.65 2.75 241 158 A 4 GLY H A 3 PHE HBx 1.0 2.47 4.13 242 158 A 3 PHE HBy A 4 GLY H 1.0 2.47 4.13 243 159 A 5 ALA HB1 A 5 ALA H 1.0 1.65 2.75 244 160 A 5 ALA HB1 A 6 ILE H 1.0 2.17 3.63 245 161 A 6 ILE HB A 6 ILE H 1.0 1.84 2.76 246 162 A 6 ILE HB A 7 ALA H 1.0 1.92 2.88 247 163 A 6 ILE HD11 A 6 ILE H 1.0 2.77 4.63 248 164 A 6 ILE HD11 A 7 ALA H 1.0 3.75 6.25 249 165 A 6 ILE HG1y A 6 ILE H 1.0 1.65 2.75 250 165 A 6 ILE H A 6 ILE HG1x 1.0 1.65 2.75 251 166 A 6 ILE H A 6 ILE HG21 1.0 2.55 4.25 252 167 A 7 ALA H A 6 ILE HG21 1.0 2.55 4.25 253 168 A 7 ALA HB1 A 6 ILE H 1.0 3.37 5.63 254 169 A 7 ALA HB1 A 7 ALA H 1.0 1.57 2.63 255 170 A 7 ALA HB1 A 8 ALA H 1.0 1.95 3.25 256 171 A 8 ALA HB1 A 8 ALA H 1.0 1.50 2.50 257 172 A 8 ALA HB1 A 9 PHE H 1.0 2.25 3.75 258 173 A 9 PHE H A 9 PHE HBx 1.0 1.50 2.50 259 173 A 9 PHE HBy A 9 PHE H 1.0 1.50 2.50 260 174 A 10 ILE H A 9 PHE HBx 1.0 2.10 3.50 261 174 A 9 PHE HBy A 10 ILE H 1.0 2.10 3.50 262 175 A 10 ILE HB A 10 ILE H 1.0 1.92 2.88 263 176 A 10 ILE HD11 A 10 ILE H 1.0 2.55 4.25 264 177 A 10 ILE HD11 A 11 GLU H 1.0 3.97 6.63 265 178 A 10 ILE H A 10 ILE HG1x 1.0 1.72 2.88 266 178 A 10 ILE HG1y A 10 ILE H 1.0 1.72 2.88 267 179 A 10 ILE HG21 A 10 ILE H 1.0 2.55 4.25 268 180 A 10 ILE HG21 A 11 GLU H 1.0 2.92 4.88 269 181 A 11 GLU H A 11 GLU HBx 1.0 1.42 2.38 270 181 A 11 GLU HBy A 11 GLU H 1.0 1.42 2.38 271 182 A 12 GLY H A 11 GLU HBx 1.0 2.10 3.50 272 182 A 11 GLU HBy A 12 GLY H 1.0 2.10 3.50 273 183 A 11 GLU H A 11 GLU HGx 1.0 2.10 3.50 274 183 A 11 GLU HGy A 11 GLU H 1.0 2.10 3.50 275 184 A 12 GLY H A 11 GLU HGx 1.0 2.85 4.75 276 184 A 11 GLU HGy A 12 GLY H 1.0 2.85 4.75 277 185 A 14 TRP H A 14 TRP HBx 1.0 1.80 3.00 278 185 A 14 TRP HBy A 14 TRP H 1.0 1.80 3.00 279 186 A 15 THR H A 14 TRP HBx 1.0 2.32 3.88 280 186 A 14 TRP HBy A 15 THR H 1.0 2.32 3.88 281 187 A 15 THR HB A 15 THR H 1.0 2.17 3.63 282 188 A 15 THR HB A 16 GLY H 1.0 2.55 4.25 283 189 A 15 THR HG21 A 15 THR H 1.0 2.70 4.50 284 190 A 15 THR HG21 A 16 GLY H 1.0 4.05 6.75 285 191 A 17 MET H A 17 MET HBx 1.0 1.57 2.63 286 191 A 17 MET HBy A 17 MET H 1.0 1.57 2.63 287 192 A 18 ILE H A 17 MET HBx 1.0 2.02 3.38 288 192 A 17 MET HBy A 18 ILE H 1.0 2.02 3.38 289 193 A 17 MET H A 17 MET HGx 1.0 1.40 4.20 290 193 A 17 MET HGy A 17 MET H 1.0 1.40 4.20 291 194 A 18 ILE HB A 18 ILE H 1.0 1.72 2.88 292 195 A 18 ILE HB A 19 ASP H 1.0 2.02 3.38 293 196 A 18 ILE HD11 A 18 ILE H 1.0 3.45 5.75 294 197 A 18 ILE H A 18 ILE HG1x 1.0 1.72 2.88 295 197 A 18 ILE HG1y A 18 ILE H 1.0 1.72 2.88 296 198 A 18 ILE HG21 A 18 ILE H 1.0 2.77 4.63 297 199 A 18 ILE HG21 A 19 ASP H 1.0 2.85 4.75 298 200 A 19 ASP H A 19 ASP HBx 1.0 1.42 2.38 299 200 A 19 ASP HBy A 19 ASP H 1.0 1.42 2.38 300 201 A 20 GLY H A 19 ASP HBx 1.0 2.17 3.63 301 201 A 19 ASP HBy A 20 GLY H 1.0 2.17 3.63 302 202 A 21 TRP H A 21 TRP HBx 1.0 1.50 2.50 303 202 A 21 TRP HBy A 21 TRP H 1.0 1.50 2.50 304 203 A 6 ILE HA A 9 PHE HA 1.0 4.08 6.12 305 204 A 9 PHE HA A 13 GLY HAx 1.0 4.16 6.24 306 205 A 9 PHE HA A 13 GLY HAy 1.0 4.72 7.08 307 206 A 2 LEU HA A 5 ALA HB1 1.0 1.95 3.25 308 207 A 3 PHE HA A 6 ILE HB 1.0 2.32 3.88 309 208 A 2 LEU HA A 6 ILE HD11 1.0 3.75 6.25 310 209 A 3 PHE HA A 6 ILE HD11 1.0 2.17 3.63 311 210 A 7 ALA HB1 A 4 GLY HAx 1.0 2.25 3.75 312 210 A 7 ALA HB1 A 4 GLY HAy 1.0 2.25 3.75 313 211 A 6 ILE HA A 9 PHE HBx 1.0 2.40 4.00 314 211 A 6 ILE HA A 9 PHE HBy 1.0 2.40 4.00 315 212 A 7 ALA HA A 10 ILE HB 1.0 2.47 4.13 316 213 A 7 ALA HA A 10 ILE HD11 1.0 2.17 3.63 317 214 A 7 ALA HA A 10 ILE HG1x 1.0 2.77 4.63 318 214 A 7 ALA HA A 10 ILE HG1y 1.0 2.77 4.63 319 215 A 10 ILE HG21 A 14 TRP HA 1.0 3.97 6.63 320 216 A 8 ALA HA A 11 GLU HBx 1.0 2.25 3.75 321 216 A 8 ALA HA A 11 GLU HBy 1.0 2.25 3.75 322 217 A 14 TRP HA A 17 MET HBx 1.0 2.70 4.50 323 217 A 14 TRP HA A 17 MET HBy 1.0 2.70 4.50 324 218 A 14 TRP HA A 17 MET HE1 1.0 2.55 4.25 325 219 A 14 TRP HA A 17 MET HGx 1.0 3.52 5.88 326 219 A 14 TRP HA A 17 MET HGy 1.0 3.52 5.88 327 220 A 15 THR HA A 18 ILE HB 1.0 2.70 4.50 328 221 A 14 TRP HA A 18 ILE HD11 1.0 3.90 6.50 329 222 A 15 THR HA A 18 ILE HD11 1.0 2.47 4.13 330 223 A 16 GLY HAy A 19 ASP HBx 1.0 2.77 4.63 331 223 A 19 ASP HBy A 16 GLY HAx 1.0 2.77 4.63 332 223 A 19 ASP HBy A 16 GLY HAy 1.0 2.77 4.63 333 223 A 16 GLY HAx A 19 ASP HBx 1.0 2.77 4.63 334 224 A 18 ILE HA A 22 TYR HBx 1.0 3.07 5.13 335 224 A 18 ILE HA A 22 TYR HBy 1.0 3.07 5.13 336 225 A 19 ASP HA A 22 TYR HBx 1.0 1.87 3.13 337 225 A 19 ASP HA A 22 TYR HBy 1.0 1.87 3.13 338 226 A 2 LEU HD11 A 5 ALA HB1 1.0 2.17 4.03 339 227 A 2 LEU HD21 A 6 ILE HB 1.0 3.01 5.59 340 228 A 2 LEU HG A 6 ILE HD11 1.0 2.17 4.03 341 229 A 6 ILE HD11 A 10 ILE HB 1.0 3.57 8.10 342 230 A 9 PHE HBy A 6 ILE HG21 1.0 2.87 5.33 343 230 A 6 ILE HG21 A 9 PHE HBx 1.0 2.87 5.33 344 231 A 7 ALA HB1 A 10 ILE HB 1.0 2.94 5.46 345 232 A 8 ALA HB1 A 11 GLU HBx 1.0 2.94 5.46 346 232 A 8 ALA HB1 A 11 GLU HBy 1.0 2.94 5.46 347 233 A 6 ILE HB A 10 ILE HD11 1.0 3.01 5.59 348 234 A 7 ALA HB1 A 10 ILE HD11 1.0 2.73 5.07 349 235 A 18 ILE HD11 A 15 THR HB 1.0 3.78 7.02 350 236 A 18 ILE HG21 A 22 TYR HBx 1.0 2.66 4.94 351 236 A 18 ILE HG21 A 22 TYR HBy 1.0 2.66 4.94 352 237 A 10 ILE HA A 14 TRP HD1 1.0 3.97 6.63 353 238 A 11 GLU HA A 14 TRP HD1 1.0 4.72 7.88 354 239 A 9 PHE HD% A 13 GLY HAx 1.0 4.87 8.13 355 239 A 9 PHE HE% A 13 GLY HAx 1.0 4.87 8.13 356 239 A 9 PHE HZ A 13 GLY HAx 1.0 4.87 8.13 357 240 A 9 PHE HZ A 13 GLY HAy 1.0 4.50 7.50 358 240 A 9 PHE HE% A 13 GLY HAy 1.0 4.50 7.50 359 240 A 9 PHE HD% A 13 GLY HAy 1.0 4.50 7.50 360 241 A 18 ILE HA A 21 TRP HD1 1.0 4.12 6.88 361 242 A 19 ASP HA A 22 TYR HE% 1.0 4.05 6.75 362 243 A 5 ALA HB1 A 3 PHE HZ 1.0 3.78 7.02 363 243 A 5 ALA HB1 A 3 PHE HE% 1.0 3.78 7.02 364 243 A 5 ALA HB1 A 3 PHE HD% 1.0 3.78 7.02 365 244 A 5 ALA HB1 A 9 PHE HZ 1.0 3.71 6.89 366 244 A 5 ALA HB1 A 9 PHE HE% 1.0 3.71 6.89 367 244 A 5 ALA HB1 A 9 PHE HD% 1.0 3.71 6.89 368 245 A 6 ILE HD11 A 3 PHE HZ 1.0 2.38 4.42 369 245 A 6 ILE HD11 A 3 PHE HE% 1.0 2.38 4.42 370 245 A 6 ILE HD11 A 3 PHE HD% 1.0 2.38 4.42 371 246 A 6 ILE HD11 A 9 PHE HE% 1.0 3.50 6.50 372 246 A 6 ILE HD11 A 9 PHE HD% 1.0 3.50 6.50 373 246 A 6 ILE HD11 A 9 PHE HZ 1.0 3.50 6.50 374 247 A 9 PHE HD% A 6 ILE HG21 1.0 2.73 5.07 375 247 A 9 PHE HZ A 6 ILE HG21 1.0 2.73 5.07 376 247 A 9 PHE HE% A 6 ILE HG21 1.0 2.73 5.07 377 248 A 7 ALA HB1 A 3 PHE HZ 1.0 2.73 5.07 378 248 A 7 ALA HB1 A 3 PHE HE% 1.0 2.73 5.07 379 248 A 7 ALA HB1 A 3 PHE HD% 1.0 2.73 5.07 380 249 A 10 ILE HD11 A 14 TRP HE3 1.0 4.06 7.54 381 250 A 10 ILE HD11 A 14 TRP HD1 1.0 4.26 7.74 382 251 A 14 TRP HE3 A 17 MET HBx 1.0 3.78 7.02 383 251 A 17 MET HBy A 14 TRP HE3 1.0 3.78 7.02 384 252 A 17 MET HE1 A 14 TRP HD1 1.0 3.78 7.02 385 253 A 17 MET HE1 A 14 TRP HH2 1.0 3.36 6.24 386 254 A 17 MET HE1 A 14 TRP HE3 1.0 2.38 4.42 387 255 A 17 MET HE1 A 14 TRP HZ2 1.0 3.71 6.89 388 256 A 17 MET HE1 A 14 TRP HZ3 1.0 2.52 4.68 389 257 A 17 MET HE1 A 21 TRP HH2 1.0 3.85 7.15 390 258 A 17 MET HE1 A 21 TRP HE3 1.0 3.64 6.76 391 259 A 17 MET HE1 A 21 TRP HZ3 1.0 3.71 6.89 392 260 A 14 TRP HE3 A 17 MET HGx 1.0 4.41 8.19 393 260 A 17 MET HGy A 14 TRP HE3 1.0 4.41 8.19 394 261 A 18 ILE HD11 A 14 TRP HD1 1.0 3.36 6.24 395 262 A 18 ILE HD11 A 14 TRP HH2 1.0 3.50 6.50 396 263 A 18 ILE HD11 A 14 TRP HE3 1.0 2.94 5.46 397 264 A 18 ILE HD11 A 14 TRP HZ2 1.0 2.94 5.46 398 265 A 18 ILE HD11 A 14 TRP HZ3 1.0 3.29 6.11 399 266 A 18 ILE HD11 A 21 TRP HE3 1.0 3.43 6.37 400 267 A 18 ILE HD11 A 21 TRP HZ3 1.0 3.78 7.02 401 268 A 18 ILE HD11 A 22 TYR HD% 1.0 3.15 5.85 402 269 A 18 ILE HD11 A 22 TYR HE% 1.0 3.08 5.72 403 270 A 14 TRP HE3 A 18 ILE HG1x 1.0 3.99 7.41 404 270 A 18 ILE HG1y A 14 TRP HE3 1.0 3.99 7.41 405 271 A 18 ILE HG21 A 14 TRP HH2 1.0 3.78 7.02 406 272 A 18 ILE HG21 A 14 TRP HZ2 1.0 3.57 6.63 407 273 A 18 ILE HG21 A 14 TRP HZ3 1.0 3.36 6.24 408 274 A 18 ILE HG21 A 21 TRP HE3 1.0 3.15 5.85 409 275 A 18 ILE HG21 A 22 TYR HD% 1.0 2.10 3.90 410 276 A 18 ILE HG21 A 22 TYR HE% 1.0 2.31 4.29 411 277 A 2 LEU HA A 5 ALA H 1.0 2.72 4.08 412 278 A 2 LEU HA A 6 ILE H 1.0 3.68 5.52 413 279 A 7 ALA H A 4 GLY HAy 1.0 3.36 5.04 414 280 A 5 ALA HA A 7 ALA H 1.0 2.80 4.20 415 281 A 5 ALA H A 7 ALA H 1.0 3.12 4.68 416 282 A 6 ILE HA A 8 ALA H 1.0 3.68 5.52 417 283 A 6 ILE HA A 9 PHE H 1.0 2.64 3.96 418 284 A 7 ALA H A 9 PHE H 1.0 3.12 4.68 419 285 A 8 ALA HA A 11 GLU H 1.0 2.80 4.20 420 286 A 9 PHE HA A 12 GLY H 1.0 3.12 4.68 421 287 A 9 PHE HA A 13 GLY H 1.0 3.20 4.80 422 288 A 14 TRP HA A 17 MET H 1.0 3.44 5.16 423 289 A 15 THR HA A 17 MET H 1.0 3.20 4.80 424 290 A 17 MET HA A 20 GLY H 1.0 3.52 5.28 425 291 A 18 ILE HA A 22 TYR H 1.0 3.52 5.28 426 292 A 19 ASP HA A 22 TYR H 1.0 3.44 5.16 427 293 A 7 ALA HB1 A 5 ALA H 1.0 3.37 5.63 428 294 A 10 ILE HG21 A 12 GLY H 1.0 4.05 6.75 429 295 A 5 ALA HB1 A 21 TRP HA 1.0 2.77 4.63 430 296 A 9 PHE HA A 17 MET HBx 1.0 3.60 6.00 431 296 A 9 PHE HA A 17 MET HBy 1.0 3.60 6.00 432 297 A 5 ALA HA A 17 MET HE1 1.0 3.00 5.00 433 298 A 5 ALA HB1 A 17 MET HGx 1.0 2.59 4.81 434 298 A 5 ALA HB1 A 17 MET HGy 1.0 2.59 4.81 435 299 A 5 ALA HB1 A 21 TRP HBx 1.0 2.94 5.46 436 299 A 5 ALA HB1 A 21 TRP HBy 1.0 2.94 5.46 437 300 A 8 ALA HB1 A 17 MET HBx 1.0 3.36 6.24 438 300 A 8 ALA HB1 A 17 MET HBy 1.0 3.36 6.24 439 301 A 9 PHE HBx A 17 MET HBx 1.0 3.36 6.24 440 301 A 9 PHE HBy A 17 MET HBx 1.0 3.36 6.24 441 301 A 17 MET HBy A 9 PHE HBx 1.0 3.36 6.24 442 301 A 9 PHE HBy A 17 MET HBy 1.0 3.36 6.24 443 302 A 17 MET HE1 A 9 PHE HBx 1.0 3.08 5.72 444 302 A 9 PHE HBy A 17 MET HE1 1.0 3.08 5.72 445 303 A 9 PHE HA A 14 TRP HD1 1.0 4.12 6.88 446 304 A 14 TRP HA A 9 PHE HZ 1.0 2.92 4.88 447 304 A 14 TRP HA A 9 PHE HE% 1.0 2.92 4.88 448 304 A 14 TRP HA A 9 PHE HD% 1.0 2.92 4.88 449 305 A 17 MET HA A 9 PHE HZ 1.0 4.65 7.75 450 305 A 17 MET HA A 9 PHE HE% 1.0 4.65 7.75 451 305 A 17 MET HA A 9 PHE HD% 1.0 4.65 7.75 452 306 A 21 TRP HZ3 A 2 LEU HBx 1.0 3.50 6.50 453 306 A 2 LEU HBy A 21 TRP HZ3 1.0 3.50 6.50 454 307 A 2 LEU HD11 A 21 TRP HZ3 1.0 2.87 5.33 455 308 A 2 LEU HD21 A 21 TRP HZ3 1.0 3.85 7.15 456 309 A 5 ALA HB1 A 21 TRP HE3 1.0 2.52 4.68 457 310 A 5 ALA HB1 A 21 TRP HZ3 1.0 3.64 6.76 458 311 A 9 PHE HZ A 14 TRP HE3 1.0 3.50 6.50 459 311 A 9 PHE HE% A 14 TRP HE3 1.0 3.50 6.50 460 311 A 9 PHE HD% A 14 TRP HE3 1.0 3.50 6.50 461 312 A 9 PHE HD% A 17 MET HBx 1.0 3.22 5.98 462 312 A 17 MET HBy A 9 PHE HD% 1.0 3.22 5.98 463 312 A 17 MET HBy A 9 PHE HE% 1.0 3.22 5.98 464 312 A 9 PHE HE% A 17 MET HBx 1.0 3.22 5.98 465 312 A 17 MET HBy A 9 PHE HZ 1.0 3.22 5.98 466 312 A 9 PHE HZ A 17 MET HBx 1.0 3.22 5.98 467 313 A 17 MET HE1 A 9 PHE HZ 1.0 2.59 4.81 468 313 A 17 MET HE1 A 9 PHE HE% 1.0 2.59 4.81 469 313 A 17 MET HE1 A 9 PHE HD% 1.0 2.59 4.81 470 314 A 17 MET HGy A 9 PHE HE% 1.0 3.78 7.02 471 314 A 17 MET HGy A 9 PHE HZ 1.0 3.78 7.02 472 314 A 9 PHE HE% A 17 MET HGx 1.0 3.78 7.02 473 314 A 9 PHE HD% A 17 MET HGx 1.0 3.78 7.02 474 314 A 17 MET HGy A 9 PHE HD% 1.0 3.78 7.02 475 314 A 9 PHE HZ A 17 MET HGx 1.0 3.78 7.02 476 315 A 18 ILE HG21 A 14 TRP HE3 1.0 2.94 5.46 477 315 A 10 ILE HG21 A 14 TRP HE3 1.0 2.94 5.46 478 316 A 5 ALA HB1 A 21 TRP H 1.0 4.42 7.38 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 1 GLY C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -77.61 -37.61 PHI 2 2 A 2 LEU C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -87.52 -47.52 PHI 3 3 A 3 PHE C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -86.71 -46.71 PHI 4 4 A 4 GLY C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -104.46 -36.98 PHI 5 5 A 5 ALA C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -83.06 -43.06 PHI 6 6 A 6 ILE C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -79.72 -39.72 PHI 7 7 A 7 ALA C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -85.11 -45.11 PHI 8 8 A 8 ALA C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -85.21 -45.21 PHI 9 9 A 9 PHE C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -87.31 -47.31 PHI 10 10 A 10 ILE C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -99.07 -47.15 PHI 11 11 A 11 GLU C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 -121.00 -72.88 PHI 12 12 A 13 GLY C A 14 TRP N A 14 TRP CA A 14 TRP C 1.0 -79.43 -39.43 PHI 13 13 A 14 TRP C A 15 THR N A 15 THR CA A 15 THR C 1.0 -82.69 -42.69 PHI 14 14 A 15 THR C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -88.24 -48.24 PHI 15 15 A 16 GLY C A 17 MET N A 17 MET CA A 17 MET C 1.0 -87.01 -47.01 PHI 16 16 A 17 MET C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -84.89 -44.89 PHI 17 17 A 18 ILE C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -101.60 -41.06 PHI 18 18 A 19 ASP C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 -86.62 -46.62 PHI 19 19 A 20 GLY C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -96.03 -47.49 PHI 20 20 A 21 TRP C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -114.33 -58.57 PHI 21 21 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 PHE N 1.0 -54.71 -14.71 PSI 22 22 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 GLY N 1.0 -49.78 3.46 PSI 23 23 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 ALA N 1.0 -53.05 -13.05 PSI 24 24 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ILE N 1.0 -57.35 -16.87 PSI 25 25 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ALA N 1.0 -63.70 -23.70 PSI 26 26 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ALA N 1.0 -61.21 -21.21 PSI 27 27 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 PHE N 1.0 -62.80 -22.80 PSI 28 28 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 ILE N 1.0 -59.86 -19.86 PSI 29 29 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 GLU N 1.0 -56.99 -7.75 PSI 30 30 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLY N 1.0 -63.91 1.41 PSI 31 31 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 GLY N 1.0 -46.88 33.12 PSI 32 32 A 14 TRP N A 14 TRP CA A 14 TRP C A 15 THR N 1.0 -52.57 -11.79 PSI 33 33 A 15 THR N A 15 THR CA A 15 THR C A 16 GLY N 1.0 -56.16 -11.74 PSI 34 34 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 MET N 1.0 -58.13 -8.67 PSI 35 35 A 17 MET N A 17 MET CA A 17 MET C A 18 ILE N 1.0 -59.46 -19.46 PSI 36 36 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ASP N 1.0 -56.48 -13.80 PSI 37 37 A 19 ASP N A 19 ASP CA A 19 ASP C A 20 GLY N 1.0 -56.04 -0.28 PSI 38 38 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 TRP N 1.0 -57.47 -4.77 PSI 39 39 A 21 TRP N A 21 TRP CA A 21 TRP C A 22 TYR N 1.0 -57.23 -5.03 PSI 40 40 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 GLY N 1.0 -42.95 22.23 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 PHE N A 3 PHE H 1.0 . . . 2 2 A 4 GLY N A 4 GLY H 1.0 . . . 3 3 A 5 ALA N A 5 ALA H 1.0 . . . 4 4 A 6 ILE N A 6 ILE H 1.0 . . . 5 5 A 7 ALA N A 7 ALA H 1.0 . . . 6 6 A 8 ALA N A 8 ALA H 1.0 . . . 7 7 A 9 PHE N A 9 PHE H 1.0 . . . 8 8 A 10 ILE N A 10 ILE H 1.0 . . . 9 9 A 11 GLU N A 11 GLU H 1.0 . . . 10 10 A 12 GLY N A 12 GLY H 1.0 . . . 11 11 A 13 GLY N A 13 GLY H 1.0 . . . 12 12 A 14 TRP N A 14 TRP H 1.0 . . . 13 13 A 15 THR N A 15 THR H 1.0 . . . 14 14 A 16 GLY N A 16 GLY H 1.0 . . . 15 15 A 17 MET N A 17 MET H 1.0 . . . 16 16 A 18 ILE N A 18 ILE H 1.0 . . . 17 17 A 19 ASP N A 19 ASP H 1.0 . . . 18 18 A 20 GLY N A 20 GLY H 1.0 . . . 19 19 A 21 TRP N A 21 TRP H 1.0 . . . 20 20 A 22 TYR N A 22 TYR H 1.0 . . . 21 21 A 23 GLY N A 23 GLY H 1.0 . . . 22 22 A 2 LEU CA A 2 LEU HA 1.0 . . . 23 23 A 3 PHE CA A 3 PHE HA 1.0 . . . 24 24 A 4 GLY CA A 4 GLY HA3 1.0 . . . 25 24 A 4 GLY CA A 4 GLY HA2 1.0 . . . 26 25 A 5 ALA CA A 5 ALA HA 1.0 . . . 27 26 A 6 ILE CA A 6 ILE HA 1.0 . . . 28 27 A 7 ALA CA A 7 ALA HA 1.0 . . . 29 28 A 8 ALA CA A 8 ALA HA 1.0 . . . 30 29 A 9 PHE CA A 9 PHE HA 1.0 . . . 31 30 A 10 ILE CA A 10 ILE HA 1.0 . . . 32 31 A 11 GLU CA A 11 GLU HA 1.0 . . . 33 32 A 12 GLY CA A 12 GLY HA3 1.0 . . . 34 32 A 12 GLY CA A 12 GLY HA2 1.0 . . . 35 33 A 13 GLY CA A 13 GLY HA3 1.0 . . . 36 33 A 13 GLY CA A 13 GLY HA2 1.0 . . . 37 34 A 14 TRP CA A 14 TRP HA 1.0 . . . 38 35 A 15 THR CA A 15 THR HA 1.0 . . . 39 36 A 16 GLY CA A 16 GLY HA3 1.0 . . . 40 36 A 16 GLY CA A 16 GLY HA2 1.0 . . . 41 37 A 17 MET CA A 17 MET HA 1.0 . . . 42 38 A 18 ILE CA A 18 ILE HA 1.0 . . . 43 39 A 19 ASP CA A 19 ASP HA 1.0 . . . 44 40 A 20 GLY CA A 20 GLY HA2 1.0 . . . 45 40 A 20 GLY CA A 20 GLY HA3 1.0 . . . 46 41 A 21 TRP CA A 21 TRP HA 1.0 . . . 47 42 A 22 TYR CA A 22 TYR HA 1.0 . . . stop_ save_