data_nef_c17869_2lhw 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 BMRB 17868 BMRB 17870 BMRB 17872 BMRB 17873 BMRB 17874 BMRB 17875 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 1 ACE C 1 2 PRO N 1 3 THR OG1 2 1 A2G C1 1 4 THR OG1 2 2 A2G C1 1 5 THR OG1 2 3 A2G C1 1 8 LYS C 1 9 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ACE start . . 2 A 2 PRO middle -H false 3 A 3 THR middle . . 4 A 4 THR middle . . 5 A 5 THR middle . . 6 A 6 PRO middle . false 7 A 7 LEU middle . . 8 A 8 LYS middle -OXT . 9 A 9 NH2 end . . 10 B 1 A2G . -O1 . 11 B 2 A2G . -O1 . 12 B 3 A2G . -O1 . 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 2 PRO HA H 1 4.57 .005 A 2 PRO HBy H 1 2.32 .005 A 2 PRO HBx H 1 1.95 .005 A 2 PRO HDx H 1 3.64 .005 A 2 PRO HDy H 1 3.64 .005 A 2 PRO HGx H 1 1.99 .005 A 2 PRO HGy H 1 1.99 .005 A 2 PRO CA C 13 62.59 .005 A 2 PRO CB C 13 32.63 .005 A 2 PRO CD C 13 51.49 .005 A 2 PRO CG C 13 27.21 .005 A 3 THR H H 1 8.59 .005 A 3 THR HA H 1 4.72 .005 A 3 THR HB H 1 4.37 .005 A 3 THR HG2% H 1 1.32 .005 A 3 THR CA C 13 59.97 .005 A 3 THR CB C 13 79.75 .005 A 3 THR CG2 C 13 21.21 .005 A 3 THR N N 15 113.70 .005 A 4 THR H H 1 8.78 .005 A 4 THR HA H 1 4.78 .005 A 4 THR HB H 1 4.35 .005 A 4 THR HG2% H 1 1.24 .005 A 4 THR CA C 13 59.33 .005 A 4 THR CB C 13 80.03 .005 A 4 THR CG2 C 13 21.38 .005 A 4 THR N N 15 112.80 .005 A 5 THR H H 1 8.69 .005 A 5 THR HA H 1 4.65 .005 A 5 THR HB H 1 4.29 .005 A 5 THR HG2% H 1 1.26 .005 A 5 THR CA C 13 58.19 .005 A 5 THR CB C 13 76.87 .005 A 5 THR CG2 C 13 21.84 .005 A 5 THR N N 15 111.60 .005 A 6 PRO HA H 1 4.43 .005 A 6 PRO HBy H 1 2.27 .005 A 6 PRO HBx H 1 1.86 .005 A 6 PRO HDx H 1 3.65 .005 A 6 PRO HDy H 1 3.65 .005 A 6 PRO HGy H 1 2.01 .005 A 6 PRO HGx H 1 1.98 .005 A 6 PRO CA C 13 62.22 .005 A 6 PRO CB C 13 32.20 .005 A 6 PRO CD C 13 50.47 .005 A 6 PRO CG C 13 27.21 .005 A 7 LEU H H 1 8.16 .005 A 7 LEU HA H 1 4.08 .005 A 7 LEU HBy H 1 1.61 .005 A 7 LEU HBx H 1 1.54 .005 A 7 LEU HDx% H 1 0.96 .005 A 7 LEU HDy% H 1 0.92 .005 A 7 LEU HG H 1 1.62 .005 A 7 LEU CA C 13 55.49 .005 A 7 LEU CB C 13 42.57 .005 A 7 LEU CDy C 13 24.76 .005 A 7 LEU CDx C 13 24.53 .005 A 7 LEU CG C 13 26.97 .005 A 7 LEU N N 15 121.60 .005 A 8 LYS H H 1 8.37 .005 A 8 LYS HA H 1 4.24 .005 A 8 LYS HBy H 1 1.78 .005 A 8 LYS HBx H 1 1.74 .005 A 8 LYS HDx H 1 1.69 .005 A 8 LYS HDy H 1 1.69 .005 A 8 LYS HEx H 1 2.98 .005 A 8 LYS HEy H 1 2.98 .005 A 8 LYS HGy H 1 1.44 .005 A 8 LYS HGx H 1 1.39 .005 A 8 LYS CA C 13 56.08 .005 A 8 LYS CB C 13 32.96 .005 A 8 LYS CD C 13 28.94 .005 A 8 LYS CE C 13 41.89 .005 A 8 LYS CG C 13 24.76 .005 A 8 LYS N N 15 125.00 .005 B 1 A2G H1 H 1 4.80 .005 B 1 A2G H14 H 1 3.73 .005 B 1 A2G H2 H 1 4.05 .005 B 1 A2G H3 H 1 3.88 .005 B 1 A2G H4 H 1 3.96 .005 B 1 A2G H5 H 1 4.03 .005 B 1 A2G H6x H 1 3.73 .005 B 1 A2G H6y H 1 3.73 .005 B 1 A2G H8% H 1 2.04 .005 B 1 A2G H8A H 1 2.04 .005 B 1 A2G H8B H 1 2.04 .005 B 1 A2G HN2 H 1 7.60 .005 B 1 A2G C1 C 13 101.89 .005 B 1 A2G C2 C 13 52.45 .005 B 1 A2G C3 C 13 70.95 .005 B 1 A2G C4 C 13 71.25 .005 B 1 A2G C5 C 13 74.10 .005 B 1 A2G C6 C 13 64.06 .005 B 1 A2G C8 C 13 25.13 .005 B 1 A2G N2 N 15 122.30 .005 B 2 A2G H1 H 1 4.81 .005 B 2 A2G H14 H 1 3.73 .005 B 2 A2G H2 H 1 4.02 .005 B 2 A2G H3 H 1 3.84 .005 B 2 A2G H4 H 1 3.94 .005 B 2 A2G H5 H 1 3.96 .005 B 2 A2G H6x H 1 3.73 .005 B 2 A2G H6y H 1 3.73 .005 B 2 A2G H8% H 1 2.01 .005 B 2 A2G H8A H 1 2.01 .005 B 2 A2G H8B H 1 2.01 .005 B 2 A2G HN2 H 1 7.72 .005 B 2 A2G C1 C 13 101.79 .005 B 2 A2G C2 C 13 52.31 .005 B 2 A2G C3 C 13 70.76 .005 B 2 A2G C4 C 13 71.22 .005 B 2 A2G C5 C 13 73.93 .005 B 2 A2G C6 C 13 64.06 .005 B 2 A2G C8 C 13 25.15 .005 B 2 A2G N2 N 15 122.80 .005 B 3 A2G H1 H 1 4.98 .005 B 3 A2G H14 H 1 3.73 .005 B 3 A2G H2 H 1 4.09 .005 B 3 A2G H3 H 1 3.87 .005 B 3 A2G H4 H 1 3.97 .005 B 3 A2G H5 H 1 4.03 .005 B 3 A2G H6x H 1 3.73 .005 B 3 A2G H6y H 1 3.73 .005 B 3 A2G H8% H 1 2.03 .005 B 3 A2G H8A H 1 2.03 .005 B 3 A2G H8B H 1 2.03 .005 B 3 A2G HN2 H 1 7.75 .005 B 3 A2G C1 C 13 101.25 .005 B 3 A2G C2 C 13 52.48 .005 B 3 A2G C3 C 13 71.31 .005 B 3 A2G C4 C 13 71.26 .005 B 3 A2G C5 C 13 74.10 .005 B 3 A2G C6 C 13 64.06 .005 B 3 A2G C8 C 13 25.23 .005 B 3 A2G N2 N 15 122.80 .005 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 B 1 A2G H3 A 3 THR H 1.0 1.8 5.0 2 2 A 3 THR H B 1 A2G H5 1.0 1.8 5.0 3 3 A 3 THR HB B 1 A2G HN2 1.0 1.8 5.0 4 4 A 5 THR H B 1 A2G H8% 1.0 1.8 5.0 5 5 A 5 THR H A 4 THR H 1.0 1.8 5.0 6 6 A 7 LEU H A 8 LYS H 1.0 1.8 5.0 7 7 A 3 THR H B 1 A2G HN2 1.0 1.8 5.0 8 8 A 3 THR H A 3 THR HA 1.0 1.8 5.0 9 9 A 4 THR H A 4 THR HA 1.0 1.8 5.0 10 10 A 4 THR H A 3 THR HA 1.0 1.8 3.0 11 11 A 4 THR H A 3 THR HB 1.0 1.8 4.0 12 12 A 4 THR H A 4 THR HG2% 1.0 1.8 5.0 13 12 A 4 THR H A 4 THR HG1 1.0 1.8 5.0 14 13 A 5 THR H A 4 THR HA 1.0 1.8 4.0 15 14 A 5 THR H A 5 THR HA 1.0 1.8 5.0 16 15 A 5 THR H A 4 THR HB 1.0 1.8 3.0 17 16 A 5 THR H A 5 THR HG2% 1.0 1.8 5.0 18 16 A 5 THR H A 5 THR HG1 1.0 1.8 5.0 19 17 A 3 THR H A 2 PRO HA 1.0 1.8 3.0 20 18 A 3 THR H A 3 THR HG2% 1.0 1.8 5.0 21 18 A 3 THR H A 3 THR HG1 1.0 1.8 5.0 22 19 A 8 LYS H A 7 LEU HA 1.0 1.8 3.0 23 20 A 8 LYS H A 8 LYS HA 1.0 1.8 5.0 24 21 A 7 LEU H A 6 PRO HA 1.0 1.8 3.0 25 22 A 7 LEU H A 7 LEU HA 1.0 1.8 5.0 26 23 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.0 27 24 A 7 LEU H A 7 LEU HBy 1.0 1.8 5.0 28 25 B 1 A2G HN2 B 1 A2G H2 1.0 1.8 5.0 29 26 B 1 A2G H3 B 1 A2G HN2 1.0 1.8 5.0 30 27 B 1 A2G HN2 B 1 A2G H8% 1.0 1.8 5.0 31 28 B 1 A2G HN2 B 1 A2G H1 1.0 1.8 5.0 32 29 A 3 THR H B 1 A2G H8% 1.0 1.8 5.0 33 30 A 7 LEU H A 6 PRO HBx 1.0 1.8 5.0 34 31 A 8 LYS H A 8 LYS HBy 1.0 1.8 5.0 35 31 A 8 LYS H A 8 LYS HBx 1.0 1.8 5.0 36 32 A 3 THR HB B 1 A2G H1 1.0 1.8 3.0 37 33 A 3 THR HB A 3 THR HA 1.0 1.8 5.0 38 34 A 4 THR HB A 4 THR HA 1.0 1.8 4.0 39 35 B 1 A2G H3 B 1 A2G H1 1.0 1.8 5.0 40 36 A 5 THR HA A 6 PRO HDx 1.0 1.8 3.0 41 36 A 5 THR HA A 6 PRO HDy 1.0 1.8 3.0 42 37 A 5 THR HB A 5 THR HA 1.0 1.8 3.0 43 38 A 5 THR HB A 6 PRO HDx 1.0 1.8 4.0 44 38 A 5 THR HB A 6 PRO HDy 1.0 1.8 4.0 45 39 A 6 PRO HBx A 6 PRO HDx 1.0 1.8 5.0 46 39 A 6 PRO HBx A 6 PRO HDy 1.0 1.8 5.0 47 40 A 6 PRO HA A 6 PRO HBx 1.0 1.8 5.0 48 41 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.0 49 42 A 3 THR HA A 3 THR HG2% 1.0 1.8 5.0 50 42 A 3 THR HA A 3 THR HG1 1.0 1.8 5.0 51 43 A 3 THR HB A 3 THR HG2% 1.0 1.8 5.0 52 43 A 3 THR HB A 3 THR HG1 1.0 1.8 5.0 53 44 B 1 A2G H5 A 3 THR HG2% 1.0 1.8 5.0 54 44 B 1 A2G H5 A 3 THR HG1 1.0 1.8 5.0 55 45 A 5 THR HA A 5 THR HG2% 1.0 1.8 5.0 56 45 A 5 THR HA A 5 THR HG1 1.0 1.8 5.0 57 46 A 5 THR HB A 5 THR HG2% 1.0 1.8 5.0 58 46 A 5 THR HB A 5 THR HG1 1.0 1.8 5.0 59 47 A 5 THR HG2% A 6 PRO HDx 1.0 1.8 5.0 60 47 A 5 THR HG1 A 6 PRO HDx 1.0 1.8 5.0 61 47 A 6 PRO HDy A 5 THR HG2% 1.0 1.8 5.0 62 47 A 5 THR HG1 A 6 PRO HDy 1.0 1.8 5.0 63 48 A 4 THR HA A 4 THR HG2% 1.0 1.8 5.0 64 48 A 4 THR HA A 4 THR HG1 1.0 1.8 5.0 65 49 A 4 THR HB A 4 THR HG2% 1.0 1.8 5.0 66 49 A 4 THR HB A 4 THR HG1 1.0 1.8 5.0 67 50 A 6 PRO HA A 6 PRO HBy 1.0 1.8 5.0 68 51 B 1 A2G H1 A 3 THR HG2% 1.0 1.8 5.0 69 51 A 3 THR HG1 B 1 A2G H1 1.0 1.8 5.0 70 52 A 6 PRO HBy A 6 PRO HDx 1.0 1.8 5.0 71 52 A 6 PRO HDy A 6 PRO HBy 1.0 1.8 5.0 72 53 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 5.0 73 53 A 7 LEU HA A 7 LEU HDy% 1.0 1.8 5.0 74 54 A 2 PRO HA A 2 PRO HBy 1.0 1.8 5.0 75 55 A 2 PRO HA A 2 PRO HBx 1.0 1.8 5.0 76 56 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.0 77 56 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.0 78 57 B 1 A2G H8% A 5 THR HG2% 1.0 1.8 5.0 79 57 B 1 A2G H8% A 5 THR HG1 1.0 1.8 5.0 80 58 A 7 LEU HDy% A 7 LEU HG 1.0 1.8 5.0 81 59 A 7 LEU HG A 7 LEU HDx% 1.0 1.8 5.0 82 60 A 6 PRO HBx A 6 PRO HGx 1.0 1.8 3.0 83 61 A 6 PRO HBx A 6 PRO HGy 1.0 1.8 4.0 84 62 A 6 PRO HBy A 6 PRO HGy 1.0 1.8 4.0 85 63 A 8 LYS HGy A 8 LYS HDx 1.0 1.8 5.0 86 63 A 8 LYS HDy A 8 LYS HGy 1.0 1.8 5.0 87 64 A 8 LYS HGx A 8 LYS HDx 1.0 1.8 5.0 88 64 A 8 LYS HDy A 8 LYS HGx 1.0 1.8 5.0 89 65 A 8 LYS H A 7 LEU HG 1.0 1.8 5.0 90 65 A 8 LYS H A 7 LEU HBx 1.0 1.8 5.0 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 3 THR HA A 3 THR CA A 3 THR CB A 3 THR HB 1.0 245.0 295.0 . 2 2 A 4 THR HA A 4 THR CA A 4 THR CB A 4 THR HB 1.0 245.0 295.0 . 3 3 A 5 THR HA A 5 THR CA A 5 THR CB A 5 THR HB 1.0 245.0 295.0 . 4 4 B 1 A2G HN2 B 1 A2G N2 B 1 A2G C2 B 1 A2G H2 1.0 175.0 185.0 . stop_ save_