data_nef_c17873_2li0 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 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 5 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 4.54 .005 A 2 PRO HBy H 1 2.29 .005 A 2 PRO HBx H 1 1.95 .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 CA C 13 62.98 .005 A 2 PRO CB C 13 32.74 .005 A 2 PRO CD C 13 51.49 .005 A 2 PRO CG C 13 27.15 .005 A 3 THR H H 1 8.28 .005 A 3 THR HA H 1 4.42 .005 A 3 THR HB H 1 4.26 .005 A 3 THR HG2% H 1 1.21 .005 A 3 THR CA C 13 61.80 .005 A 3 THR CB C 13 69.86 .005 A 3 THR CG2 C 13 21.63 .005 A 3 THR N N 15 113.40 .005 A 4 THR H H 1 8.13 .005 A 4 THR HA H 1 4.50 .005 A 4 THR HB H 1 4.19 .005 A 4 THR HG2% H 1 1.20 .005 A 4 THR CA C 13 61.59 .005 A 4 THR CB C 13 70.12 .005 A 4 THR CG2 C 13 21.63 .005 A 4 THR N N 15 116.70 .005 A 5 THR H H 1 8.51 .005 A 5 THR HA H 1 4.70 .005 A 5 THR HB H 1 4.23 .005 A 5 THR HG2% H 1 1.29 .005 A 5 THR CA C 13 58.61 .005 A 5 THR CB C 13 77.64 .005 A 5 THR CG2 C 13 21.46 .005 A 5 THR N N 15 116.10 .005 A 6 PRO HA H 1 4.45 .005 A 6 PRO HBy H 1 2.30 .005 A 6 PRO HBx H 1 1.86 .005 A 6 PRO HDy H 1 3.72 .005 A 6 PRO HDx H 1 3.63 .005 A 6 PRO HGx H 1 1.94 .005 A 6 PRO HGy H 1 1.94 .005 A 6 PRO CA C 13 62.65 .005 A 6 PRO CB C 13 32.35 .005 A 6 PRO CD C 13 50.68 .005 A 6 PRO CG C 13 27.27 .005 A 7 LEU H H 1 8.21 .005 A 7 LEU HA H 1 4.14 .005 A 7 LEU HBy H 1 1.59 .005 A 7 LEU HBx H 1 1.55 .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 1.61 .005 A 7 LEU CA C 13 55.48 .005 A 7 LEU CB C 13 42.64 .005 A 7 LEU CDx C 13 24.48 .005 A 7 LEU CDy C 13 24.68 .005 A 7 LEU CG C 13 27.05 .005 A 7 LEU N N 15 121.50 .005 A 8 LYS H H 1 8.36 .005 A 8 LYS HA H 1 4.21 .005 A 8 LYS HBy H 1 1.78 .005 A 8 LYS HBx H 1 1.73 .005 A 8 LYS HDx H 1 1.66 .005 A 8 LYS HDy H 1 1.66 .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 1.43 .005 A 8 LYS HGx H 1 1.39 .005 A 8 LYS CA C 13 56.26 .005 A 8 LYS CB C 13 33.03 .005 A 8 LYS CD C 13 29.10 .005 A 8 LYS CE C 13 42.16 .005 A 8 LYS CG C 13 24.76 .005 A 8 LYS N N 15 124.50 .005 B 1 A2G H1 H 1 5.01 .005 B 1 A2G H14 H 1 3.73 .005 B 1 A2G H2 H 1 4.09 .005 B 1 A2G H3 H 1 3.87 .005 B 1 A2G H4 H 1 3.95 .005 B 1 A2G H5 H 1 4.01 .005 B 1 A2G H6x H 1 3.73 .005 B 1 A2G H6y H 1 3.73 .005 B 1 A2G HN2 H 1 7.67 .005 B 1 A2G C2 C 13 52.71 .005 B 1 A2G C3 C 13 71.48 .005 B 1 A2G C4 C 13 71.50 .005 B 1 A2G C5 C 13 74.18 .005 B 1 A2G C6 C 13 64.20 .005 B 1 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 A 5 THR HA A 5 THR HB 1.0 1.8 4.0 2 2 B 1 A2G H5 A 5 THR HG2% 1.0 1.8 4.0 3 3 A 5 THR HA A 5 THR HG2% 1.0 1.8 4.0 4 4 B 1 A2G H5 A 6 PRO HDx 1.0 1.8 5.0 5 4 B 1 A2G H5 A 6 PRO HDy 1.0 1.8 5.0 6 5 A 5 THR HG2% A 6 PRO HDx 1.0 1.8 5.0 7 5 A 5 THR HG2% A 6 PRO HDy 1.0 1.8 5.0 8 6 A 3 THR HA A 3 THR HG2% 1.0 1.8 5.0 9 7 A 4 THR HA A 4 THR HG2% 1.0 1.8 5.0 10 8 A 5 THR HA A 5 THR HG2% 1.0 1.8 5.0 11 9 B 1 A2G H3 A 5 THR H 1.0 1.8 5.0 12 10 A 4 THR HA B 1 A2G HN2 1.0 1.8 5.0 13 11 B 1 A2G HN2 A 4 THR HB 1.0 1.8 5.0 14 12 A 5 THR HB B 1 A2G HN2 1.0 1.8 5.0 15 13 A 6 PRO HDy A 5 THR H 1.0 1.8 5.0 16 14 A 5 THR H A 6 PRO HDx 1.0 1.8 5.0 17 15 A 7 LEU H A 6 PRO HBx 1.0 1.8 5.0 18 16 A 7 LEU H A 6 PRO HBy 1.0 1.8 5.0 19 17 B 1 A2G H81 A 8 LYS H 1.0 1.8 5.0 20 18 A 4 THR H A 3 THR H 1.0 1.8 5.0 21 19 A 5 THR HG2% A 5 THR H 1.0 1.8 5.0 22 20 A 5 THR HG2% A 4 THR H 1.0 1.8 5.0 23 21 A 4 THR HG2% A 4 THR H 1.0 1.8 5.0 24 22 A 4 THR HG2% A 5 THR H 1.0 1.8 5.0 25 23 A 5 THR HG2% B 1 A2G HN2 1.0 1.8 5.0 26 24 A 4 THR HG2% B 1 A2G HN2 1.0 1.8 5.0 27 25 A 3 THR HG2% A 3 THR H 1.0 1.8 5.0 28 26 A 5 THR HB A 6 PRO HDy 1.0 1.8 5.0 29 27 A 5 THR H B 1 A2G H81 1.0 1.8 5.0 30 28 A 5 THR HB B 1 A2G H1 1.0 1.8 5.0 31 29 B 1 A2G H1 B 1 A2G H2 1.0 1.8 5.0 32 30 A 5 THR HA A 6 PRO HDy 1.0 1.8 3.0 33 31 A 5 THR HA A 6 PRO HDx 1.0 1.8 3.0 34 32 B 1 A2G H3 B 1 A2G H2 1.0 1.8 3.0 35 33 B 1 A2G H5 B 1 A2G H3 1.0 1.8 5.0 36 34 B 1 A2G H3 B 1 A2G H4 1.0 1.8 5.0 37 35 A 5 THR HB A 6 PRO HDx 1.0 1.8 5.0 38 36 A 6 PRO HDy A 6 PRO HDx 1.0 1.8 3.0 39 37 B 1 A2G H5 B 1 A2G H6% 1.0 1.8 3.0 40 38 A 2 PRO HBy A 2 PRO HA 1.0 1.8 4.0 41 39 A 6 PRO HBy A 6 PRO HA 1.0 1.8 5.0 42 40 A 1 ACE CH3 A 2 PRO HDy 1.0 1.8 5.0 43 41 A 6 PRO HBx A 6 PRO HA 1.0 1.8 5.0 44 42 A 8 LYS HBy A 8 LYS HEx 1.0 1.8 5.0 45 42 A 8 LYS HBy A 8 LYS HEy 1.0 1.8 5.0 46 43 A 8 LYS HBx A 8 LYS HA 1.0 1.8 5.0 47 44 A 8 LYS HDx A 8 LYS HEx 1.0 1.8 3.0 48 44 A 8 LYS HEy A 8 LYS HDx 1.0 1.8 3.0 49 44 A 8 LYS HEy A 8 LYS HDy 1.0 1.8 3.0 50 44 A 8 LYS HDy A 8 LYS HEx 1.0 1.8 3.0 51 45 A 8 LYS HGy A 8 LYS HEx 1.0 1.8 5.0 52 45 A 8 LYS HEy A 8 LYS HGy 1.0 1.8 5.0 53 46 A 8 LYS HGx A 8 LYS HDx 1.0 1.8 3.0 54 46 A 8 LYS HDy A 8 LYS HGx 1.0 1.8 3.0 55 47 A 5 THR HB A 5 THR HG2% 1.0 1.8 5.0 56 48 A 3 THR HG2% A 3 THR HB 1.0 1.8 5.0 57 49 A 4 THR HG2% A 4 THR HB 1.0 1.8 5.0 58 50 A 7 LEU HA A 7 LEU HDy% 1.0 1.8 5.0 59 50 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 5.0 60 51 A 2 PRO HA A 2 PRO HGx 1.0 1.8 5.0 61 51 A 2 PRO HA A 2 PRO HGy 1.0 1.8 5.0 62 52 A 2 PRO HA A 2 PRO HBx 1.0 1.8 5.0 63 53 A 6 PRO HA A 6 PRO HGx 1.0 1.8 5.0 64 53 A 6 PRO HA A 6 PRO HGy 1.0 1.8 5.0 65 54 A 8 LYS HA A 8 LYS HEx 1.0 1.8 5.0 66 54 A 8 LYS HEy A 8 LYS HA 1.0 1.8 5.0 67 55 A 8 LYS HA A 8 LYS HGy 1.0 1.8 5.0 68 56 A 8 LYS HBy A 8 LYS HA 1.0 1.8 5.0 69 57 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.0 70 57 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.0 71 58 A 7 LEU HA A 7 LEU HG 1.0 1.8 5.0 72 59 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 5.0 73 59 A 7 LEU HA A 7 LEU HDy% 1.0 1.8 5.0 74 60 A 2 PRO HDx A 2 PRO HGx 1.0 1.8 5.0 75 60 A 2 PRO HGy A 2 PRO HDx 1.0 1.8 5.0 76 61 A 2 PRO HBx A 2 PRO HDx 1.0 1.8 4.0 77 62 A 6 PRO HGy A 6 PRO HDx 1.0 1.8 5.0 78 62 A 6 PRO HDx A 6 PRO HGx 1.0 1.8 5.0 79 63 A 6 PRO HDy A 6 PRO HGy 1.0 1.8 5.0 80 63 A 6 PRO HDy A 6 PRO HGx 1.0 1.8 5.0 81 64 A 5 THR HA A 5 THR H 1.0 1.8 5.0 82 65 A 4 THR HA A 4 THR H 1.0 1.8 5.0 83 66 A 3 THR HA A 3 THR H 1.0 1.8 5.0 84 67 A 8 LYS H A 8 LYS HA 1.0 1.8 5.0 85 68 B 1 A2G HN2 B 1 A2G H2 1.0 1.8 5.0 86 69 A 4 THR HA A 5 THR H 1.0 1.8 3.0 87 70 A 7 LEU H A 6 PRO HA 1.0 1.8 3.0 88 71 A 3 THR HA A 4 THR H 1.0 1.8 4.0 89 72 A 5 THR HB A 5 THR H 1.0 1.8 5.0 90 73 A 5 THR H A 4 THR HB 1.0 1.8 5.0 91 74 A 7 LEU H A 7 LEU HA 1.0 1.8 5.0 92 75 A 8 LYS H A 7 LEU HA 1.0 1.8 4.0 93 76 B 1 A2G H3 B 1 A2G HN2 1.0 1.8 5.0 94 77 B 1 A2G HN2 B 1 A2G H1 1.0 1.8 5.0 95 78 A 3 THR H A 2 PRO HA 1.0 1.8 4.0 96 79 A 5 THR H B 1 A2G HN2 1.0 1.8 5.0 97 80 A 5 THR H A 4 THR H 1.0 1.8 5.0 98 81 A 8 LYS HZ% A 8 LYS HEx 1.0 1.8 4.0 99 81 A 8 LYS HEy A 8 LYS HZ% 1.0 1.8 4.0 100 82 A 8 LYS HZ% A 8 LYS HDx 1.0 1.8 5.0 101 82 A 8 LYS HDy A 8 LYS HZ% 1.0 1.8 5.0 102 83 A 7 LEU H B 1 A2G H81 1.0 1.8 5.0 103 84 B 1 A2G HN2 B 1 A2G H81 1.0 1.8 5.0 104 85 A 7 LEU H A 7 LEU HBy 1.0 1.8 5.0 105 85 A 7 LEU H A 7 LEU HBx 1.0 1.8 5.0 106 86 A 7 LEU H A 7 LEU HG 1.0 1.8 5.0 107 87 A 2 PRO HBy A 2 PRO HGx 1.0 1.8 3.0 108 87 A 2 PRO HBy A 2 PRO HGy 1.0 1.8 3.0 109 88 A 6 PRO HBy A 6 PRO HGx 1.0 1.8 4.0 110 88 A 6 PRO HBy A 6 PRO HGy 1.0 1.8 4.0 111 89 A 6 PRO HBx A 6 PRO HBy 1.0 1.8 3.0 112 90 A 8 LYS HBy A 8 LYS HGy 1.0 1.8 4.0 113 91 A 8 LYS HBx A 8 LYS HGy 1.0 1.8 4.0 114 92 A 8 LYS HGy A 8 LYS HDx 1.0 1.8 3.0 115 92 A 8 LYS HDy A 8 LYS HGy 1.0 1.8 3.0 116 93 A 8 LYS HBy A 8 LYS HGx 1.0 1.8 4.0 117 94 A 8 LYS HBx A 8 LYS HGx 1.0 1.8 4.0 118 95 A 7 LEU HG A 7 LEU HDy% 1.0 1.8 5.0 119 95 A 7 LEU HG A 7 LEU HDx% 1.0 1.8 5.0 120 96 A 7 LEU HBx A 7 LEU HDy% 1.0 1.8 5.0 121 96 A 7 LEU HBy A 7 LEU HDx% 1.0 1.8 5.0 122 96 A 7 LEU HDy% A 7 LEU HBy 1.0 1.8 5.0 123 96 A 7 LEU HBx A 7 LEU HDx% 1.0 1.8 5.0 124 97 A 7 LEU HG A 7 LEU HDx% 1.0 1.8 5.0 125 97 A 7 LEU HG A 7 LEU HDy% 1.0 1.8 5.0 126 98 A 7 LEU HBy A 7 LEU HDx% 1.0 1.8 5.0 127 98 A 7 LEU HDy% A 7 LEU HBy 1.0 1.8 5.0 128 98 A 7 LEU HBx A 7 LEU HDy% 1.0 1.8 5.0 129 98 A 7 LEU HBx A 7 LEU HDx% 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 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 5 THR HA A 5 THR CA A 5 THR CB A 5 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 -170.0 -70.0 PHI 4 4 A 3 THR C A 4 THR N A 4 THR CA A 4 THR C 1.0 -180.0 -60.0 PHI 5 5 A 4 THR C A 5 THR N A 5 THR CA A 5 THR C 1.0 -170.0 -70.0 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 -20.0 PHI stop_ save_