data_nef_c17874_2li1 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 17869 BMRB 17870 BMRB 17872 BMRB 17873 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 4 THR OG1 2 1 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 . 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 4.46 .005 A 2 PRO HBy H 1 2.31 .005 A 2 PRO HBx H 1 1.93 .005 A 2 PRO HDx H 1 3.65 .005 A 2 PRO HDy H 1 3.65 .005 A 2 PRO HGx H 1 1.98 .005 A 2 PRO HGy H 1 1.98 .005 A 2 PRO C C 13 177.60 .005 A 2 PRO CA C 13 62.83 .005 A 2 PRO CB C 13 32.75 .005 A 2 PRO CD C 13 51.45 .005 A 2 PRO CG C 13 27.10 .005 A 3 THR H H 1 8.36 .005 A 3 THR HA H 1 4.51 .005 A 3 THR HB H 1 4.24 .005 A 3 THR HG2% H 1 1.24 .005 A 3 THR C C 13 174.89 .005 A 3 THR CA C 13 61.75 .005 A 3 THR CB C 13 70.05 .005 A 3 THR CG2 C 13 21.58 .005 A 3 THR N N 15 114.89 .005 A 4 THR H H 1 8.62 .005 A 4 THR HA H 1 4.64 .005 A 4 THR HB H 1 4.33 .005 A 4 THR HG2% H 1 1.23 .005 A 4 THR C C 13 173.67 .005 A 4 THR CA C 13 59.76 .005 A 4 THR CB C 13 78.31 .005 A 4 THR CG2 C 13 20.98 .005 A 4 THR N N 15 115.50 .005 A 5 THR H H 1 8.31 .005 A 5 THR HA H 1 4.55 .005 A 5 THR HB H 1 4.14 .005 A 5 THR HG2% H 1 1.25 .005 A 5 THR C C 13 172.39 .005 A 5 THR CA C 13 59.78 .005 A 5 THR CB C 13 69.71 .005 A 5 THR CG2 C 13 21.54 .005 A 5 THR N N 15 116.72 .005 A 6 PRO HA H 1 4.37 .005 A 6 PRO HBy H 1 2.30 .005 A 6 PRO HBx H 1 1.88 .005 A 6 PRO HDy H 1 3.76 .005 A 6 PRO HDx H 1 3.73 .005 A 6 PRO HGy H 1 2.03 .005 A 6 PRO HGx H 1 2.00 .005 A 6 PRO C C 13 176.95 .005 A 6 PRO CA C 13 63.04 .005 A 6 PRO CB C 13 32.12 .005 A 6 PRO CD C 13 50.98 .005 A 6 PRO CG C 13 27.49 .005 A 7 LEU H H 1 8.41 .005 A 7 LEU HA H 1 4.26 .005 A 7 LEU HBy H 1 1.64 .005 A 7 LEU HBx H 1 1.57 .005 A 7 LEU HDx% H 1 0.93 .005 A 7 LEU HDy% H 1 0.89 .005 A 7 LEU HG H 1 1.66 .005 A 7 LEU C C 13 177.57 .005 A 7 LEU CA C 13 55.51 .005 A 7 LEU CB C 13 42.32 .005 A 7 LEU CDy C 13 24.82 .005 A 7 LEU CDx C 13 23.69 .005 A 7 LEU CG C 13 27.02 .005 A 7 LEU N N 15 123.25 .005 A 8 LYS H H 1 8.35 .005 A 8 LYS HA H 1 4.28 .005 A 8 LYS HBy H 1 1.82 .005 A 8 LYS HBx H 1 1.75 .005 A 8 LYS HDx H 1 1.67 .005 A 8 LYS HDy H 1 1.67 .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 1.40 .005 A 8 LYS C C 13 179.10 .005 A 8 LYS CA C 13 55.96 .005 A 8 LYS CB C 13 33.14 .005 A 8 LYS CD C 13 29.09 .005 A 8 LYS CE C 13 42.17 .005 A 8 LYS CG C 13 24.75 .005 A 8 LYS N N 15 122.86 .005 B 1 A2G H1 H 1 4.75 .005 B 1 A2G H2 H 1 4.08 .005 B 1 A2G H3 H 1 3.87 .005 B 1 A2G H4 H 1 3.96 .005 B 1 A2G H5 H 1 3.99 .005 B 1 A2G H6x H 1 3.74 .005 B 1 A2G H6y H 1 3.74 .005 B 1 A2G HN2 H 1 7.84 .005 B 1 A2G C1 C 13 101.21 .005 B 1 A2G C2 C 13 52.53 .005 B 1 A2G C3 C 13 70.91 .005 B 1 A2G C4 C 13 71.41 .005 B 1 A2G C5 C 13 74.17 .005 B 1 A2G C6 C 13 64.24 .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 A 4 THR H B 1 A2G H81 1.0 1.8 6.0 2 2 A 4 THR H A 3 THR H 1.0 1.8 5.0 3 3 A 4 THR H A 5 THR H 1.0 1.8 5.0 4 4 A 4 THR H B 1 A2G HN2 1.0 1.8 5.0 5 5 B 1 A2G HN2 B 1 A2G H1 1.0 1.8 5.0 6 6 A 4 THR H A 4 THR HA 1.0 1.8 5.0 7 7 A 3 THR H A 4 THR HA 1.0 1.8 4.0 8 8 A 5 THR H A 4 THR HA 1.0 1.8 3.0 9 9 A 5 THR H A 5 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 3 THR H A 3 THR HA 1.0 1.8 5.0 12 12 A 3 THR H A 2 PRO HA 1.0 1.8 4.0 13 13 A 6 PRO HA A 7 LEU H 1.0 1.8 3.0 14 14 A 5 THR H A 4 THR HB 1.0 1.8 4.0 15 15 A 7 LEU H A 7 LEU HA 1.0 1.8 5.0 16 16 A 7 LEU HA A 8 LYS H 1.0 1.8 3.0 17 17 A 4 THR H A 3 THR HB 1.0 1.8 5.0 18 18 A 5 THR H A 5 THR HB 1.0 1.8 5.0 19 19 B 1 A2G HN2 B 1 A2G H2 1.0 1.8 5.0 20 20 B 1 A2G HN2 B 1 A2G H3 1.0 1.8 5.0 21 21 A 3 THR H A 3 THR HB 1.0 1.8 5.0 22 22 B 1 A2G H81 B 1 A2G HN2 1.0 1.8 5.0 23 23 A 8 LYS H A 8 LYS HBx 1.0 1.8 5.0 24 24 A 7 LEU H A 7 LEU HG 1.0 1.8 4.0 25 25 A 7 LEU H A 7 LEU HBx 1.0 1.8 5.0 26 26 A 3 THR H A 3 THR HG2% 1.0 1.8 5.0 27 27 A 5 THR H A 5 THR HG2% 1.0 1.8 5.0 28 28 A 4 THR H A 4 THR HG2% 1.0 1.8 5.0 29 29 A 7 LEU H A 7 LEU HBy 1.0 1.8 4.0 30 30 A 4 THR H A 3 THR HG2% 1.0 1.8 6.0 31 31 A 5 THR H A 4 THR HG2% 1.0 1.8 6.0 32 32 B 1 A2G H1 A 4 THR HB 1.0 1.8 5.0 33 33 B 1 A2G H1 B 1 A2G H2 1.0 1.8 4.0 34 34 B 1 A2G H1 B 1 A2G H3 1.0 1.8 5.0 35 35 A 4 THR HA A 4 THR HB 1.0 1.8 5.0 36 36 A 5 THR HA A 6 PRO HDy 1.0 1.8 3.0 37 37 A 5 THR HA A 6 PRO HDx 1.0 1.8 3.0 38 38 A 5 THR HA A 5 THR HB 1.0 1.8 5.0 39 39 A 3 THR HA A 3 THR HB 1.0 1.8 5.0 40 40 A 5 THR HB A 6 PRO HDy 1.0 1.8 5.0 41 41 A 5 THR HB A 6 PRO HDx 1.0 1.8 5.0 42 42 B 1 A2G H2 B 1 A2G H3 1.0 1.8 3.0 43 43 B 1 A2G H3 B 1 A2G H5 1.0 1.8 3.0 44 44 B 1 A2G H3 B 1 A2G H4 1.0 1.8 4.0 45 45 A 4 THR HA A 4 THR HG2% 1.0 1.8 5.0 46 46 A 5 THR HA A 5 THR HG2% 1.0 1.8 5.0 47 47 A 3 THR HA A 3 THR HG2% 1.0 1.8 5.0 48 48 A 6 PRO HA A 6 PRO HBx 1.0 1.8 3.0 49 49 A 4 THR HB A 4 THR HG2% 1.0 1.8 5.0 50 50 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.0 51 51 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.0 52 52 A 3 THR HB A 3 THR HG2% 1.0 1.8 5.0 53 53 A 5 THR HB A 5 THR HG2% 1.0 1.8 5.0 54 54 A 4 THR HG2% B 1 A2G H5 1.0 1.8 6.0 55 55 A 6 PRO HDx A 6 PRO HBx 1.0 1.8 5.0 56 56 A 5 THR HG2% A 6 PRO HDx 1.0 1.8 6.0 57 57 A 8 LYS HDx A 8 LYS HEx 1.0 1.8 5.0 58 57 A 8 LYS HDy A 8 LYS HEx 1.0 1.8 5.0 59 57 A 8 LYS HEy A 8 LYS HDy 1.0 1.8 5.0 60 57 A 8 LYS HEy A 8 LYS HDx 1.0 1.8 5.0 61 58 A 6 PRO HDy A 6 PRO HGy 1.0 1.8 3.0 62 59 A 6 PRO HDx A 6 PRO HGx 1.0 1.8 3.0 63 60 A 2 PRO HGy A 2 PRO HDx 1.0 1.8 5.0 64 60 A 2 PRO HDx A 2 PRO HGx 1.0 1.8 5.0 65 61 A 1 ACE CH3 A 2 PRO HDy 1.0 1.8 5.0 66 61 A 2 PRO HDx A 1 ACE CH3 1.0 1.8 5.0 67 62 A 2 PRO HGy A 2 PRO HDy 1.0 1.8 5.0 68 62 A 2 PRO HDy A 2 PRO HGx 1.0 1.8 5.0 69 63 A 2 PRO HA A 2 PRO HBy 1.0 1.8 5.0 70 64 A 6 PRO HA A 6 PRO HBy 1.0 1.8 4.0 71 65 A 6 PRO HDx A 6 PRO HBy 1.0 1.8 5.0 72 66 B 1 A2G H81 A 5 THR HA 1.0 1.8 6.0 73 67 A 6 PRO HBy A 6 PRO HGx 1.0 1.8 5.0 74 67 A 6 PRO HBy A 6 PRO HGy 1.0 1.8 5.0 75 68 A 6 PRO HBx A 6 PRO HBy 1.0 1.8 3.0 76 69 A 2 PRO HBy A 2 PRO HGx 1.0 1.8 5.0 77 69 A 2 PRO HGy A 2 PRO HBy 1.0 1.8 5.0 78 70 A 2 PRO HBy A 2 PRO HBx 1.0 1.8 4.0 79 71 A 8 LYS HGy A 8 LYS HBy 1.0 1.8 5.0 80 72 A 8 LYS HBx A 8 LYS HGy 1.0 1.8 5.0 81 73 A 8 LYS HGy A 8 LYS HDy 1.0 1.8 3.0 82 73 A 8 LYS HDx A 8 LYS HGy 1.0 1.8 3.0 83 74 A 8 LYS HGx A 8 LYS HDy 1.0 1.8 3.0 84 74 A 8 LYS HDx A 8 LYS HGx 1.0 1.8 3.0 85 75 A 8 LYS HDx A 8 LYS HGy 1.0 1.8 4.0 86 76 A 8 LYS HBx A 8 LYS HGx 1.0 1.8 4.0 87 77 A 7 LEU HG A 7 LEU HDy% 1.0 1.8 5.0 88 77 A 7 LEU HG A 7 LEU HDx% 1.0 1.8 5.0 89 78 A 7 LEU HG A 7 LEU HDx% 1.0 1.8 5.0 90 78 A 7 LEU HG A 7 LEU HDy% 1.0 1.8 5.0 91 79 A 7 LEU HBy A 7 LEU HDy% 1.0 1.8 5.0 92 79 A 7 LEU HBy A 7 LEU HDx% 1.0 1.8 5.0 93 80 A 7 LEU HBx A 7 LEU HDy% 1.0 1.8 5.0 94 80 A 7 LEU HBx A 7 LEU HDx% 1.0 1.8 5.0 95 81 A 7 LEU HBy A 7 LEU HDx% 1.0 1.8 5.0 96 81 A 7 LEU HBy A 7 LEU HDy% 1.0 1.8 5.0 97 82 B 1 A2G H81 A 3 THR HG2% 1.0 1.8 6.0 98 83 A 7 LEU HG A 5 THR HG2% 1.0 1.8 6.0 99 83 A 5 THR HG2% A 7 LEU HBy 1.0 1.8 6.0 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 B 1 A2G H2 B 1 A2G C2 B 1 A2G N2 B 1 A2G HN2 1.0 175.0 185.0 . 2 2 A 4 THR HA A 4 THR CA A 4 THR CB A 4 THR HB 1.0 240.0 300.0 . 3 3 A 2 PRO C A 3 THR N A 3 THR CA A 3 THR C 1.0 -180.0 -60.0 PHI 4 4 A 3 THR C A 4 THR N A 4 THR CA A 4 THR C 1.0 -160.0 -80.0 PHI 5 5 A 4 THR C A 5 THR N A 5 THR CA A 5 THR C 1.0 -180.0 -60.0 PHI 6 6 A 6 PRO C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -180.0 -20.0 PHI 7 7 A 7 LEU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -180.0 -60.0 PHI stop_ save_