data_nef_c34478_6xth 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 6XTH stop_ 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 13 CYS SG 1 17 CYS SG 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 1 GLY start . false 2 A 2 SER middle . . 3 A 3 ARG middle . . 4 A 4 GLY middle . false 5 A 5 TRP middle . . 6 A 6 GLY middle . false 7 A 7 PHE middle . . 8 A 8 GLU middle . . 9 A 9 PRO middle . false 10 A 10 GLY middle . false 11 A 11 VAL middle . . 12 A 12 ARG middle . . 13 A 13 CYS middle -HG . 14 A 14 LEU middle . . 15 A 15 ILE middle . . 16 A 16 TRP middle . . 17 A 17 CYS middle -HG . 18 A 18 ASP 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 GLY H1 H 1 7.00 0.02 A 1 GLY HAy H 1 4.15 0.02 A 1 GLY HAx H 1 3.71 0.02 A 1 GLY CA C 13 41.1 0.3 A 1 GLY N N 15 116.5 0.3 A 2 SER H H 1 8.48 0.02 A 2 SER HA H 1 4.20 0.02 A 2 SER HBy H 1 3.65 0.02 A 2 SER HBx H 1 3.59 0.02 A 2 SER CA C 13 55.9 0.3 A 2 SER CB C 13 61.7 0.3 A 2 SER N N 15 113.4 0.3 A 3 ARG H H 1 7.24 0.02 A 3 ARG HA H 1 4.47 0.02 A 3 ARG HBy H 1 1.82 0.02 A 3 ARG HBx H 1 1.54 0.02 A 3 ARG HDy H 1 3.10 0.02 A 3 ARG HDx H 1 2.98 0.02 A 3 ARG HGy H 1 1.40 0.02 A 3 ARG HGx H 1 1.25 0.02 A 3 ARG CA C 13 50.6 0.3 A 3 ARG CB C 13 30.4 0.3 A 3 ARG CD C 13 40.1 0.3 A 3 ARG CG C 13 30.4 0.3 A 3 ARG N N 15 112.5 0.3 A 4 GLY H H 1 8.69 0.02 A 4 GLY HAy H 1 4.00 0.02 A 4 GLY HAx H 1 3.34 0.02 A 4 GLY CA C 13 42.1 0.3 A 4 GLY N N 15 107.4 0.3 A 5 TRP H H 1 8.38 0.02 A 5 TRP HA H 1 5.36 0.02 A 5 TRP HBy H 1 2.88 0.02 A 5 TRP HBx H 1 2.84 0.02 A 5 TRP HD1 H 1 7.19 0.02 A 5 TRP HE1 H 1 10.79 0.02 A 5 TRP HE3 H 1 7.53 0.02 A 5 TRP HH2 H 1 7.00 0.02 A 5 TRP HZ2 H 1 7.27 0.02 A 5 TRP HZ3 H 1 6.91 0.02 A 5 TRP CA C 13 51.5 0.3 A 5 TRP CB C 13 29.2 0.3 A 5 TRP N N 15 119.3 0.3 A 5 TRP NE1 N 15 131.6 0.3 A 6 GLY H H 1 6.14 0.02 A 6 GLY HAy H 1 4.21 0.02 A 6 GLY HAx H 1 3.10 0.02 A 6 GLY CA C 13 43.8 0.3 A 6 GLY N N 15 105.1 0.3 A 7 PHE H H 1 8.82 0.02 A 7 PHE HA H 1 4.26 0.02 A 7 PHE HBy H 1 3.41 0.02 A 7 PHE HBx H 1 2.61 0.02 A 7 PHE HD1 H 1 7.25 0.02 A 7 PHE HZ H 1 7.33 0.02 A 7 PHE CA C 13 54.5 0.3 A 7 PHE CB C 13 36.9 0.3 A 8 GLU H H 1 8.82 0.02 A 8 GLU HA H 1 4.31 0.02 A 8 GLU HBy H 1 1.69 0.02 A 8 GLU HBx H 1 1.54 0.02 A 8 GLU HGy H 1 2.38 0.02 A 8 GLU HGx H 1 2.15 0.02 A 8 GLU CA C 13 51.8 0.3 A 8 GLU CB C 13 26.0 0.3 A 8 GLU CG C 13 32.5 0.3 A 8 GLU N N 15 118.7 0.3 A 9 PRO HA H 1 4.21 0.02 A 9 PRO HBy H 1 2.16 0.02 A 9 PRO HBx H 1 2.10 0.02 A 9 PRO HDx H 1 3.56 0.02 A 9 PRO HDy H 1 3.88 0.02 A 9 PRO HGy H 1 1.90 0.02 A 9 PRO HGx H 1 1.74 0.02 A 9 PRO CA C 13 61.2 0.3 A 9 PRO CD C 13 47.0 0.3 A 9 PRO CG C 13 28.3 0.3 A 10 GLY H H 1 8.77 0.02 A 10 GLY HAy H 1 3.97 0.02 A 10 GLY HAx H 1 3.30 0.02 A 10 GLY CA C 13 41.6 0.3 A 10 GLY N N 15 111.0 0.3 A 11 VAL H H 1 8.30 0.02 A 11 VAL HA H 1 3.66 0.02 A 11 VAL HB H 1 2.69 0.02 A 11 VAL HG1% H 1 0.97 0.02 A 11 VAL HG2% H 1 0.80 0.02 A 11 VAL CA C 13 58.7 0.3 A 11 VAL CB C 13 25.4 0.3 A 11 VAL CG1 C 13 21.5 0.3 A 11 VAL CG2 C 13 19.5 0.3 A 11 VAL N N 15 114.4 0.3 A 12 ARG H H 1 6.47 0.02 A 12 ARG HA H 1 4.85 0.02 A 12 ARG HBy H 1 1.21 0.02 A 12 ARG HBx H 1 1.16 0.02 A 12 ARG HDy H 1 3.10 0.02 A 12 ARG HDx H 1 2.51 0.02 A 12 ARG HGy H 1 1.37 0.02 A 12 ARG HGx H 1 1.15 0.02 A 12 ARG CA C 13 49.1 0.3 A 12 ARG CB C 13 30.4 0.3 A 12 ARG CD C 13 39.6 0.3 A 12 ARG CG C 13 23.7 0.3 A 12 ARG N N 15 116.1 0.3 A 13 CYS H H 1 7.47 0.02 A 13 CYS HA H 1 3.99 0.02 A 13 CYS HBy H 1 3.22 0.02 A 13 CYS HBx H 1 3.11 0.02 A 13 CYS CA C 13 54.5 0.3 A 13 CYS CB C 13 40.6 0.3 A 13 CYS N N 15 119.1 0.3 A 14 LEU H H 1 7.31 0.02 A 14 LEU HA H 1 4.49 0.02 A 14 LEU HBy H 1 1.98 0.02 A 14 LEU HBx H 1 1.31 0.02 A 14 LEU HD1% H 1 0.85 0.02 A 14 LEU HD2% H 1 0.83 0.02 A 14 LEU HG H 1 1.46 0.02 A 14 LEU CA C 13 53.3 0.3 A 14 LEU CB C 13 41.9 0.3 A 14 LEU CD1 C 13 20.7 0.3 A 14 LEU CD2 C 13 23.5 0.3 A 14 LEU CG C 13 23.9 0.3 A 14 LEU N N 15 112.8 0.3 A 15 ILE H H 1 8.83 0.02 A 15 ILE HA H 1 4.31 0.02 A 15 ILE HB H 1 1.70 0.02 A 15 ILE HD1% H 1 0.66 0.02 A 15 ILE HG1y H 1 1.23 0.02 A 15 ILE HG1x H 1 0.83 0.02 A 15 ILE HG2% H 1 0.24 0.02 A 15 ILE CA C 13 61.3 0.3 A 15 ILE CD1 C 13 10.3 0.3 A 15 ILE CG1 C 13 24.5 0.3 A 15 ILE CG2 C 13 14.2 0.3 A 16 TRP H H 1 8.51 0.02 A 16 TRP HA H 1 4.48 0.02 A 16 TRP HBy H 1 3.31 0.02 A 16 TRP HBx H 1 3.28 0.02 A 16 TRP HD1 H 1 7.22 0.02 A 16 TRP HE1 H 1 10.83 0.02 A 16 TRP HE3 H 1 7.57 0.02 A 16 TRP HH2 H 1 7.04 0.02 A 16 TRP HZ2 H 1 7.31 0.02 A 16 TRP HZ3 H 1 6.95 0.02 A 16 TRP CA C 13 50.9 0.3 A 16 TRP CB C 13 25.7 0.3 A 16 TRP N N 15 113.4 0.3 A 16 TRP NE1 N 15 131.0 0.3 A 17 CYS H H 1 7.56 0.02 A 17 CYS HA H 1 4.67 0.02 A 17 CYS HBy H 1 3.17 0.02 A 17 CYS HBx H 1 3.15 0.02 A 17 CYS CA C 13 50.8 0.3 A 17 CYS CB C 13 41.6 0.3 A 17 CYS N N 15 119.1 0.3 A 18 ASP H H 1 7.94 0.02 A 18 ASP HA H 1 4.25 0.02 A 18 ASP HBy H 1 2.60 0.02 A 18 ASP HBx H 1 2.35 0.02 A 18 ASP CA C 13 49.5 0.3 A 18 ASP CB C 13 38.4 0.3 A 18 ASP N N 15 122.5 0.3 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 8 GLU HA A 9 PRO HDx 1.0 0.0 2.31 2 2 A 2 SER H A 2 SER HA 1.0 0.0 2.82 3 3 A 2 SER HA A 2 SER HBy 1.0 0.0 2.84 4 4 A 18 ASP HA A 18 ASP HBx 1.0 0.0 2.85 5 5 A 15 ILE H A 15 ILE HG1y 1.0 0.0 3.12 6 6 A 15 ILE HG1y A 15 ILE HA 1.0 0.0 2.61 7 7 A 15 ILE HG1y A 15 ILE HG2% 1.0 0.0 2.36 8 8 A 3 ARG H A 3 ARG HGx 1.0 0.0 3.39 9 9 A 3 ARG HA A 3 ARG HGx 1.0 0.0 3.75 10 10 A 3 ARG HBy A 3 ARG HGx 1.0 0.0 2.95 11 11 A 17 CYS HA A 17 CYS HBx 1.0 0.0 2.55 12 12 A 7 PHE H A 7 PHE HD1 1.0 0.0 2.85 13 13 A 7 PHE HD1 A 7 PHE HBy 1.0 0.0 3.60 14 14 A 7 PHE HD1 A 7 PHE HA 1.0 0.0 2.19 15 15 A 5 TRP HA A 5 TRP HZ3 1.0 0.0 5.06 16 16 A 2 SER H A 3 ARG H 1.0 0.0 2.05 17 17 A 2 SER H A 2 SER HBx 1.0 0.0 3.24 18 18 A 18 ASP H A 18 ASP HBx 1.0 0.0 2.82 19 19 A 18 ASP H A 17 CYS HBx 1.0 0.0 3.47 20 20 A 18 ASP HA A 18 ASP H 1.0 0.0 2.68 21 21 A 17 CYS HA A 18 ASP H 1.0 0.0 2.66 22 22 A 18 ASP H A 17 CYS H 1.0 0.0 4.53 23 23 A 18 ASP H A 17 CYS HBy 1.0 0.0 3.47 24 24 A 3 ARG H A 2 SER HBx 1.0 0.0 3.21 25 25 A 3 ARG H A 3 ARG HA 1.0 0.0 2.66 26 26 A 3 ARG H A 3 ARG HBy 1.0 0.0 3.53 27 27 A 3 ARG H A 3 ARG HBx 1.0 0.0 3.53 28 28 A 3 ARG H A 3 ARG HDy 1.0 0.0 3.18 29 29 A 3 ARG H A 2 SER HBy 1.0 0.0 3.21 30 30 A 18 ASP HA A 18 ASP HBy 1.0 0.0 2.36 31 31 A 8 GLU H A 8 GLU HBy 1.0 0.0 3.25 32 32 A 4 GLY H A 4 GLY HAx 1.0 0.0 2.70 33 33 A 4 GLY H A 4 GLY HAy 1.0 0.0 2.70 34 34 A 4 GLY H A 5 TRP H 1.0 0.0 4.49 35 35 A 4 GLY H A 3 ARG HBx 1.0 0.0 2.91 36 36 A 3 ARG H A 3 ARG HDx 1.0 0.0 3.18 37 37 A 3 ARG HA A 3 ARG HDx 1.0 0.0 3.00 38 38 A 7 PHE H A 7 PHE HBy 1.0 0.0 3.72 39 39 A 7 PHE H A 7 PHE HA 1.0 0.0 2.79 40 40 A 8 GLU H A 7 PHE HBy 1.0 0.0 3.72 41 41 A 7 PHE HA A 7 PHE HBy 1.0 0.0 2.96 42 42 A 17 CYS HA A 17 CYS H 1.0 0.0 2.61 43 43 A 17 CYS HA A 17 CYS HBy 1.0 0.0 2.55 44 44 A 17 CYS HA A 13 CYS HBy 1.0 0.0 4.88 45 45 A 12 ARG HGy A 12 ARG HDx 1.0 0.0 3.01 46 46 A 12 ARG HBx A 12 ARG HDx 1.0 0.0 3.99 47 47 A 14 LEU HA A 14 LEU HD1% 1.0 0.0 3.71 48 48 A 14 LEU HA A 14 LEU H 1.0 0.0 2.94 49 49 A 5 TRP HE1 A 5 TRP HBy 1.0 0.0 5.00 50 50 A 5 TRP HE1 A 5 TRP HBx 1.0 0.0 5.00 51 51 A 2 SER HA A 2 SER HBx 1.0 0.0 2.84 52 52 A 13 CYS H A 13 CYS HA 1.0 0.0 2.77 53 53 A 3 ARG HA A 4 GLY H 1.0 0.0 3.04 54 54 A 3 ARG HA A 3 ARG HBy 1.0 0.0 2.85 55 55 A 3 ARG HA A 3 ARG HGy 1.0 0.0 3.75 56 56 A 3 ARG HA A 3 ARG HBx 1.0 0.0 2.85 57 57 A 15 ILE HB A 15 ILE HD1% 1.0 0.0 2.66 58 58 A 14 LEU H A 14 LEU HD1% 1.0 0.0 4.22 59 59 A 14 LEU HBx A 14 LEU HD1% 1.0 0.0 3.22 60 60 A 14 LEU HBy A 14 LEU HD1% 1.0 0.0 3.22 61 61 A 16 TRP H A 16 TRP HZ2 1.0 0.0 5.21 62 62 A 15 ILE H A 15 ILE HB 1.0 0.0 3.03 63 63 A 15 ILE H A 14 LEU HBx 1.0 0.0 3.25 64 64 A 15 ILE H A 14 LEU HBy 1.0 0.0 3.25 65 65 A 11 VAL HA A 11 VAL HG2% 1.0 0.0 2.37 66 66 A 12 ARG HBy A 12 ARG HDx 1.0 0.0 3.99 67 67 A 12 ARG HA A 12 ARG HBy 1.0 0.0 2.88 68 68 A 2 SER H A 1 GLY HAy 1.0 0.0 3.03 69 69 A 13 CYS HA A 13 CYS HBy 1.0 0.0 2.66 70 70 A 13 CYS H A 13 CYS HBy 1.0 0.0 2.57 71 71 A 4 GLY H A 3 ARG HBy 1.0 0.0 2.91 72 72 A 3 ARG HBy A 3 ARG HGy 1.0 0.0 2.95 73 73 A 5 TRP H A 4 GLY HAx 1.0 0.0 3.00 74 74 A 5 TRP H A 5 TRP HE1 1.0 0.0 4.22 75 75 A 5 TRP H A 4 GLY HAy 1.0 0.0 3.00 76 76 A 5 TRP H A 5 TRP HBx 1.0 0.0 3.47 77 77 A 5 TRP H A 5 TRP HD1 1.0 0.0 3.43 78 78 A 12 ARG H A 11 VAL HG2% 1.0 0.0 4.24 79 79 A 12 ARG H A 12 ARG HBy 1.0 0.0 3.84 80 80 A 12 ARG H A 6 GLY H 1.0 0.0 3.08 81 81 A 12 ARG HA A 12 ARG H 1.0 0.0 2.84 82 82 A 12 ARG H A 11 VAL H 1.0 0.0 2.80 83 83 A 11 VAL HA A 12 ARG H 1.0 0.0 2.54 84 84 A 5 TRP HA A 5 TRP H 1.0 0.0 2.81 85 85 A 5 TRP HA A 5 TRP HE3 1.0 0.0 2.82 86 86 A 5 TRP H A 5 TRP HBy 1.0 0.0 3.47 87 87 A 5 TRP HA A 5 TRP HBy 1.0 0.0 2.87 88 88 A 6 GLY H A 5 TRP HBy 1.0 0.0 3.35 89 89 A 5 TRP HD1 A 5 TRP HBy 1.0 0.0 3.50 90 90 A 8 GLU H A 8 GLU HGy 1.0 0.0 5.15 91 91 A 8 GLU HA A 8 GLU H 1.0 0.0 2.83 92 92 A 8 GLU H A 8 GLU HBx 1.0 0.0 3.25 93 93 A 7 PHE HA A 8 GLU H 1.0 0.0 3.38 94 94 A 15 ILE H A 15 ILE HG1x 1.0 0.0 3.17 95 95 A 15 ILE HA A 15 ILE HG1x 1.0 0.0 3.37 96 96 A 16 TRP HA A 16 TRP HE3 1.0 0.0 2.80 97 97 A 16 TRP H A 16 TRP HE3 1.0 0.0 3.75 98 98 A 15 ILE HG2% A 16 TRP HE3 1.0 0.0 4.09 99 99 A 17 CYS H A 17 CYS HBx 1.0 0.0 3.77 100 100 A 17 CYS H A 17 CYS HBy 1.0 0.0 3.77 101 101 A 16 TRP HA A 16 TRP HBy 1.0 0.0 2.89 102 102 A 17 CYS H A 16 TRP HA 1.0 0.0 3.52 103 103 A 7 PHE HD1 A 7 PHE HE% 1.0 0.0 2.38 104 104 A 7 PHE HE% A 7 PHE HZ 1.0 0.0 2.14 105 105 A 5 TRP H A 5 TRP HE3 1.0 0.0 3.31 106 106 A 8 GLU HA A 9 PRO HDy 1.0 0.0 2.31 107 107 A 5 TRP HA A 6 GLY H 1.0 0.0 2.20 108 108 A 12 ARG HA A 6 GLY H 1.0 0.0 3.26 109 109 A 11 VAL HA A 6 GLY H 1.0 0.0 2.86 110 110 A 6 GLY H A 6 GLY HAy 1.0 0.0 2.74 111 111 A 12 ARG HA A 12 ARG HDx 1.0 0.0 3.21 112 112 A 5 TRP HA A 12 ARG HA 1.0 0.0 2.49 113 113 A 12 ARG HA A 12 ARG HBx 1.0 0.0 2.88 114 114 A 12 ARG HA A 12 ARG HDy 1.0 0.0 3.21 115 115 A 13 CYS H A 12 ARG HA 1.0 0.0 3.32 116 116 A 12 ARG HA A 12 ARG HGx 1.0 0.0 3.62 117 117 A 14 LEU HD2% A 14 LEU HBx 1.0 0.0 3.22 118 118 A 16 TRP HD1 A 16 TRP HBy 1.0 0.0 3.68 119 119 A 16 TRP HD1 A 16 TRP HBx 1.0 0.0 3.68 120 120 A 16 TRP H A 16 TRP HD1 1.0 0.0 4.07 121 121 A 15 ILE HG2% A 16 TRP HD1 1.0 0.0 3.12 122 122 A 15 ILE H A 15 ILE HA 1.0 0.0 2.78 123 123 A 15 ILE HA A 15 ILE HD1% 1.0 0.0 3.73 124 124 A 15 ILE HA A 15 ILE HG2% 1.0 0.0 4.05 125 125 A 7 PHE HD1 A 7 PHE HBx 1.0 0.0 3.60 126 126 A 7 PHE H A 7 PHE HBx 1.0 0.0 3.72 127 127 A 8 GLU H A 7 PHE HBx 1.0 0.0 3.72 128 128 A 12 ARG HBy A 12 ARG HGy 1.0 0.0 2.96 129 129 A 12 ARG HA A 12 ARG HGy 1.0 0.0 3.62 130 130 A 12 ARG HGy A 12 ARG HDy 1.0 0.0 3.01 131 131 A 8 GLU H A 8 GLU HGx 1.0 0.0 5.15 132 132 A 11 VAL H A 10 GLY HAy 1.0 0.0 3.19 133 133 A 11 VAL H A 11 VAL HG2% 1.0 0.0 3.89 134 134 A 11 VAL H A 10 GLY HAx 1.0 0.0 3.19 135 135 A 11 VAL H A 9 PRO HA 1.0 0.0 3.75 136 136 A 11 VAL HA A 11 VAL H 1.0 0.0 2.18 137 137 A 11 VAL H A 10 GLY H 1.0 0.0 2.01 138 138 A 18 ASP H A 18 ASP HBy 1.0 0.0 2.82 139 139 A 16 TRP HA A 16 TRP HBx 1.0 0.0 2.89 140 140 A 16 TRP H A 16 TRP HBx 1.0 0.0 3.64 141 141 A 15 ILE H A 15 ILE HD1% 1.0 0.0 3.89 142 142 A 14 LEU HA A 14 LEU HD2% 1.0 0.0 3.71 143 143 A 14 LEU H A 14 LEU HD2% 1.0 0.0 4.22 144 144 A 3 ARG H A 3 ARG HGy 1.0 0.0 3.39 145 145 A 3 ARG HGy A 3 ARG HBx 1.0 0.0 2.95 146 146 A 16 TRP H A 16 TRP HBy 1.0 0.0 3.64 147 147 A 17 CYS H A 16 TRP H 1.0 0.0 3.50 148 148 A 16 TRP H A 16 TRP HA 1.0 0.0 2.71 149 149 A 12 ARG H A 12 ARG HBx 1.0 0.0 3.84 150 150 A 12 ARG HGy A 12 ARG HBx 1.0 0.0 2.96 151 151 A 12 ARG HDy A 12 ARG HBx 1.0 0.0 3.99 152 152 A 12 ARG HBx A 12 ARG HGx 1.0 0.0 2.96 153 153 A 2 SER H A 1 GLY HAx 1.0 0.0 3.03 154 154 A 13 CYS HA A 13 CYS HBx 1.0 0.0 2.92 155 155 A 13 CYS H A 13 CYS HBx 1.0 0.0 2.93 156 156 A 3 ARG HBx A 3 ARG HGx 1.0 0.0 2.95 157 157 A 5 TRP HA A 5 TRP HBx 1.0 0.0 2.87 158 158 A 6 GLY H A 5 TRP HBx 1.0 0.0 3.35 159 159 A 5 TRP HD1 A 5 TRP HBx 1.0 0.0 3.50 160 160 A 3 ARG HA A 3 ARG HDy 1.0 0.0 3.00 161 161 A 7 PHE HA A 7 PHE HBx 1.0 0.0 2.96 162 162 A 12 ARG HBy A 12 ARG HDy 1.0 0.0 3.99 163 163 A 2 SER H A 2 SER HBy 1.0 0.0 2.90 164 164 A 14 LEU HD2% A 14 LEU HBy 1.0 0.0 3.22 165 165 A 14 LEU HG A 14 LEU HBy 1.0 0.0 2.48 166 166 A 13 CYS H A 12 ARG H 1.0 0.0 3.96 167 167 A 11 VAL HA A 11 VAL HB 1.0 0.0 2.95 168 168 A 10 GLY H A 10 GLY HAx 1.0 0.0 2.81 169 169 A 10 GLY H A 10 GLY HAy 1.0 0.0 2.81 170 170 A 9 PRO HA A 10 GLY H 1.0 0.0 2.25 171 171 A 15 ILE HG2% A 16 TRP HZ2 1.0 0.0 3.45 172 172 A 15 ILE H A 15 ILE HG2% 1.0 0.0 3.65 173 173 A 15 ILE HG2% A 15 ILE HG1x 1.0 0.0 3.11 174 174 A 15 ILE HG2% A 15 ILE HD1% 1.0 0.0 2.05 175 175 A 15 ILE HG2% A 16 TRP H 1.0 0.0 3.18 176 176 A 14 LEU HA A 14 LEU HG 1.0 0.0 3.66 177 177 A 14 LEU H A 14 LEU HG 1.0 0.0 4.14 178 178 A 14 LEU HG A 14 LEU HBx 1.0 0.0 2.48 179 179 A 16 TRP H A 16 TRP HE1 1.0 0.0 4.94 180 180 A 15 ILE HG2% A 16 TRP HE1 1.0 0.0 2.77 181 181 A 12 ARG H A 11 VAL HG1% 1.0 0.0 4.24 182 182 A 11 VAL H A 11 VAL HG1% 1.0 0.0 3.89 183 183 A 11 VAL HA A 11 VAL HG1% 1.0 0.0 2.37 184 184 A 12 ARG HDx A 12 ARG HGx 1.0 0.0 3.01 185 185 A 12 ARG HBy A 12 ARG HGx 1.0 0.0 2.96 186 186 A 12 ARG HDy A 12 ARG HGx 1.0 0.0 3.01 187 187 A 6 GLY H A 6 GLY HAx 1.0 0.0 2.74 188 188 A 3 ARG H A 3 ARG HDx 1.0 0.0 2.41 189 188 A 3 ARG H A 3 ARG HDy 1.0 0.0 2.41 190 189 A 3 ARG HA A 3 ARG HDx 1.0 0.0 2.52 191 189 A 3 ARG HA A 3 ARG HDy 1.0 0.0 2.52 192 190 A 3 ARG HBx A 3 ARG HDx 1.0 0.0 2.35 193 190 A 3 ARG HBy A 3 ARG HDx 1.0 0.0 2.35 194 190 A 3 ARG HDy A 3 ARG HBx 1.0 0.0 2.35 195 190 A 3 ARG HDy A 3 ARG HBy 1.0 0.0 2.35 196 191 A 4 GLY H A 3 ARG HBx 1.0 0.0 2.22 197 191 A 4 GLY H A 3 ARG HBy 1.0 0.0 2.22 198 192 A 3 ARG HDx A 3 ARG HGx 1.0 0.0 2.11 199 192 A 3 ARG HDy A 3 ARG HGx 1.0 0.0 2.11 200 192 A 3 ARG HGy A 3 ARG HDx 1.0 0.0 2.11 201 192 A 3 ARG HDy A 3 ARG HGy 1.0 0.0 2.11 202 193 A 5 TRP HA A 5 TRP HBy 1.0 0.0 2.10 203 193 A 5 TRP HA A 5 TRP HBx 1.0 0.0 2.10 204 194 A 5 TRP HA A 11 VAL HG2% 1.0 0.0 2.55 205 194 A 5 TRP HA A 11 VAL HG1% 1.0 0.0 2.55 206 195 A 5 TRP HZ3 A 5 TRP HBy 1.0 0.0 4.99 207 195 A 5 TRP HZ3 A 5 TRP HBx 1.0 0.0 4.99 208 196 A 6 GLY H A 5 TRP HBy 1.0 0.0 2.72 209 196 A 6 GLY H A 5 TRP HBx 1.0 0.0 2.72 210 197 A 5 TRP HBx A 11 VAL HG2% 1.0 0.0 2.79 211 197 A 5 TRP HBy A 11 VAL HG2% 1.0 0.0 2.79 212 197 A 11 VAL HG1% A 5 TRP HBy 1.0 0.0 2.79 213 197 A 5 TRP HBx A 11 VAL HG1% 1.0 0.0 2.79 214 198 A 5 TRP HE3 A 11 VAL HG2% 1.0 0.0 2.50 215 198 A 5 TRP HE3 A 11 VAL HG1% 1.0 0.0 2.50 216 199 A 6 GLY H A 11 VAL HG2% 1.0 0.0 2.74 217 199 A 6 GLY H A 11 VAL HG1% 1.0 0.0 2.74 218 200 A 7 PHE H A 6 GLY HAx 1.0 0.0 2.73 219 200 A 7 PHE H A 6 GLY HAy 1.0 0.0 2.73 220 201 A 7 PHE H A 7 PHE HBy 1.0 0.0 3.21 221 201 A 7 PHE H A 7 PHE HBx 1.0 0.0 3.21 222 202 A 8 GLU H A 7 PHE HBy 1.0 0.0 3.21 223 202 A 8 GLU H A 7 PHE HBx 1.0 0.0 3.21 224 203 A 8 GLU HA A 9 PRO HDx 1.0 0.0 1.97 225 203 A 8 GLU HA A 9 PRO HDy 1.0 0.0 1.97 226 204 A 12 ARG H A 8 GLU HBx 1.0 0.0 3.40 227 204 A 12 ARG H A 8 GLU HBy 1.0 0.0 3.40 228 205 A 8 GLU HGy A 9 PRO HDx 1.0 0.0 2.99 229 205 A 8 GLU HGx A 9 PRO HDx 1.0 0.0 2.99 230 205 A 9 PRO HDy A 8 GLU HGy 1.0 0.0 2.99 231 205 A 8 GLU HGx A 9 PRO HDy 1.0 0.0 2.99 232 206 A 12 ARG H A 12 ARG HBx 1.0 0.0 2.76 233 206 A 12 ARG H A 12 ARG HBy 1.0 0.0 2.76 234 207 A 12 ARG HDy A 12 ARG HGx 1.0 0.0 2.16 235 207 A 12 ARG HDx A 12 ARG HGx 1.0 0.0 2.16 236 207 A 12 ARG HGy A 12 ARG HDx 1.0 0.0 2.16 237 207 A 12 ARG HGy A 12 ARG HDy 1.0 0.0 2.16 238 208 A 13 CYS HA A 13 CYS HBy 1.0 0.0 2.41 239 208 A 13 CYS HA A 13 CYS HBx 1.0 0.0 2.41 240 209 A 14 LEU H A 14 LEU HD1% 1.0 0.0 3.08 241 209 A 14 LEU H A 14 LEU HD2% 1.0 0.0 3.08 242 210 A 14 LEU HBy A 14 LEU HD1% 1.0 0.0 1.85 243 210 A 14 LEU HBx A 14 LEU HD1% 1.0 0.0 1.85 244 210 A 14 LEU HD2% A 14 LEU HBy 1.0 0.0 1.85 245 210 A 14 LEU HD2% A 14 LEU HBx 1.0 0.0 1.85 246 211 A 15 ILE H A 14 LEU HBy 1.0 0.0 2.64 247 211 A 15 ILE H A 14 LEU HBx 1.0 0.0 2.64 248 212 A 16 TRP H A 16 TRP HBy 1.0 0.0 3.10 249 212 A 16 TRP H A 16 TRP HBx 1.0 0.0 3.10 250 213 A 16 TRP HD1 A 16 TRP HBy 1.0 0.0 3.14 251 213 A 16 TRP HD1 A 16 TRP HBx 1.0 0.0 3.14 252 214 A 17 CYS HA A 17 CYS HBy 1.0 0.0 2.09 253 214 A 17 CYS HA A 17 CYS HBx 1.0 0.0 2.09 254 215 A 18 ASP H A 18 ASP HBx 1.0 0.0 2.41 255 215 A 18 ASP H A 18 ASP HBy 1.0 0.0 2.41 256 216 A 2 SER H A 1 GLY HAx 1.0 0.0 2.00 257 216 A 2 SER H A 1 GLY HAy 1.0 0.0 2.00 258 217 A 2 SER H A 2 SER HBx 1.0 0.0 2.52 259 217 A 2 SER H A 2 SER HBy 1.0 0.0 2.52 260 218 A 2 SER HA A 2 SER HBx 1.0 0.0 2.40 261 218 A 2 SER HA A 2 SER HBy 1.0 0.0 2.40 262 219 A 3 ARG H A 2 SER HBx 1.0 0.0 2.76 263 219 A 3 ARG H A 2 SER HBy 1.0 0.0 2.76 264 220 A 3 ARG H A 3 ARG HBx 1.0 0.0 2.60 265 220 A 3 ARG H A 3 ARG HBy 1.0 0.0 2.60 266 221 A 3 ARG H A 3 ARG HGx 1.0 0.0 2.34 267 221 A 3 ARG H A 3 ARG HGy 1.0 0.0 2.34 268 222 A 3 ARG HA A 3 ARG HBx 1.0 0.0 2.19 269 222 A 3 ARG HA A 3 ARG HBy 1.0 0.0 2.19 270 223 A 3 ARG HBx A 3 ARG HGx 1.0 0.0 1.94 271 223 A 3 ARG HBy A 3 ARG HGx 1.0 0.0 1.94 272 223 A 3 ARG HGy A 3 ARG HBx 1.0 0.0 1.94 273 223 A 3 ARG HBy A 3 ARG HGy 1.0 0.0 1.94 274 224 A 5 TRP H A 4 GLY HAx 1.0 0.0 2.08 275 224 A 5 TRP H A 4 GLY HAy 1.0 0.0 2.08 276 225 A 5 TRP HD1 A 5 TRP HBy 1.0 0.0 2.88 277 225 A 5 TRP HD1 A 5 TRP HBx 1.0 0.0 2.88 278 226 A 5 TRP HE3 A 5 TRP HBy 1.0 0.0 2.78 279 226 A 5 TRP HE3 A 5 TRP HBx 1.0 0.0 2.78 280 227 A 5 TRP HE1 A 5 TRP HBy 1.0 0.0 4.27 281 227 A 5 TRP HE1 A 5 TRP HBx 1.0 0.0 4.27 282 228 A 7 PHE HA A 7 PHE HBy 1.0 0.0 2.41 283 228 A 7 PHE HA A 7 PHE HBx 1.0 0.0 2.41 284 229 A 8 GLU H A 8 GLU HBx 1.0 0.0 2.82 285 229 A 8 GLU H A 8 GLU HBy 1.0 0.0 2.82 286 230 A 10 GLY H A 10 GLY HAx 1.0 0.0 2.36 287 230 A 10 GLY H A 10 GLY HAy 1.0 0.0 2.36 288 231 A 11 VAL HA A 11 VAL HG2% 1.0 0.0 1.93 289 231 A 11 VAL HA A 11 VAL HG1% 1.0 0.0 1.93 290 232 A 12 ARG HA A 12 ARG HBx 1.0 0.0 2.39 291 232 A 12 ARG HA A 12 ARG HBy 1.0 0.0 2.39 292 233 A 12 ARG HA A 12 ARG HGx 1.0 0.0 3.00 293 233 A 12 ARG HA A 12 ARG HGy 1.0 0.0 3.00 294 234 A 14 LEU HG A 14 LEU HBy 1.0 0.0 2.08 295 234 A 14 LEU HG A 14 LEU HBx 1.0 0.0 2.08 296 235 A 16 TRP HA A 16 TRP HBy 1.0 0.0 2.40 297 235 A 16 TRP HA A 16 TRP HBx 1.0 0.0 2.40 298 236 A 18 ASP H A 17 CYS HBy 1.0 0.0 2.39 299 236 A 18 ASP H A 17 CYS HBx 1.0 0.0 2.39 300 237 A 3 ARG HA A 3 ARG HGx 1.0 0.0 3.15 301 237 A 3 ARG HA A 3 ARG HGy 1.0 0.0 3.15 302 238 A 4 GLY H A 4 GLY HAx 1.0 0.0 2.02 303 238 A 4 GLY H A 4 GLY HAy 1.0 0.0 2.02 304 239 A 11 VAL H A 11 VAL HG2% 1.0 0.0 2.59 305 239 A 11 VAL H A 11 VAL HG1% 1.0 0.0 2.59 306 240 A 12 ARG H A 11 VAL HG2% 1.0 0.0 3.64 307 240 A 12 ARG H A 11 VAL HG1% 1.0 0.0 3.64 308 241 A 12 ARG HBy A 12 ARG HGx 1.0 0.0 1.88 309 241 A 12 ARG HBx A 12 ARG HGx 1.0 0.0 1.88 310 241 A 12 ARG HGy A 12 ARG HBx 1.0 0.0 1.88 311 241 A 12 ARG HBy A 12 ARG HGy 1.0 0.0 1.88 312 242 A 12 ARG HBx A 12 ARG HDx 1.0 0.0 2.45 313 242 A 12 ARG HBy A 12 ARG HDx 1.0 0.0 2.45 314 242 A 12 ARG HDy A 12 ARG HBx 1.0 0.0 2.45 315 242 A 12 ARG HBy A 12 ARG HDy 1.0 0.0 2.45 316 243 A 17 CYS H A 17 CYS HBy 1.0 0.0 2.91 317 243 A 17 CYS H A 17 CYS HBx 1.0 0.0 2.91 318 244 A 8 GLU H A 8 GLU HGy 1.0 0.0 4.37 319 244 A 8 GLU H A 8 GLU HGx 1.0 0.0 4.37 320 245 A 5 TRP H A 5 TRP HBy 1.0 0.0 2.79 321 245 A 5 TRP H A 5 TRP HBx 1.0 0.0 2.79 322 246 A 7 PHE HD1 A 7 PHE HBy 1.0 0.0 2.85 323 246 A 7 PHE HD1 A 7 PHE HBx 1.0 0.0 2.85 324 247 A 12 ARG HA A 12 ARG HDx 1.0 0.0 2.17 325 247 A 12 ARG HA A 12 ARG HDy 1.0 0.0 2.17 326 248 A 1 GLY N A 8 GLU CD 1.0 0.0 1.60 327 249 A 8 GLU CD A 1 GLY CA 1.0 0.0 2.40 328 250 A 1 GLY N A 8 GLU CG 1.0 0.0 2.40 329 251 A 13 CYS SG A 17 CYS SG 1.0 0.0 2.10 330 252 A 13 CYS SG A 17 CYS CB 1.0 0.0 3.10 331 253 A 17 CYS SG A 13 CYS CB 1.0 0.0 3.10 stop_ save_