data_nef_c17871_2lhy 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 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 5 THR OG1 2 2 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 . 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 2.30 .005 A 2 PRO HBx H 1 1.94 .005 A 2 PRO HDx H 1 3.62 .005 A 2 PRO HDy H 1 3.62 .005 A 2 PRO HGx H 1 1.96 .005 A 2 PRO HGy H 1 1.96 .005 A 2 PRO CA C 13 62.64 .005 A 2 PRO CB C 13 32.67 .005 A 2 PRO CD C 13 51.48 .005 A 2 PRO CG C 13 27.27 .005 A 3 THR H H 1 8.54 .005 A 3 THR HA H 1 4.61 .005 A 3 THR HB H 1 4.34 .005 A 3 THR HG2% H 1 1.30 .005 A 3 THR CA C 13 60.15 .005 A 3 THR CB C 13 78.93 .005 A 3 THR CG2 C 13 20.90 .005 A 3 THR N N 15 113.60 .005 A 4 THR H H 1 8.27 .005 A 4 THR HA H 1 4.56 .005 A 4 THR HB H 1 4.21 .005 A 4 THR HG2% H 1 1.22 .005 A 4 THR CA C 13 61.04 .005 A 4 THR CB C 13 70.61 .005 A 4 THR CG2 C 13 21.53 .005 A 4 THR N N 15 114.50 .005 A 5 THR H H 1 8.47 .005 A 5 THR HA H 1 4.65 .005 A 5 THR HB H 1 4.28 .005 A 5 THR HG2% H 1 1.32 .005 A 5 THR CA C 13 58.03 .005 A 5 THR CB C 13 77.36 .005 A 5 THR CG2 C 13 21.78 .005 A 5 THR N N 15 114.40 .005 A 6 PRO HA H 1 4.46 .005 A 6 PRO HBy H 1 2.26 .005 A 6 PRO HBx H 1 1.86 .005 A 6 PRO HDy H 1 3.73 .005 A 6 PRO HDx H 1 3.63 .005 A 6 PRO HGy H 1 1.98 .005 A 6 PRO HGx H 1 1.94 .005 A 6 PRO CA C 13 62.59 .005 A 6 PRO CB C 13 32.27 .005 A 6 PRO CD C 13 50.64 .005 A 6 PRO CG C 13 27.22 .005 A 7 LEU H H 1 8.20 .005 A 7 LEU HA H 1 4.12 .005 A 7 LEU HBy H 1 1.59 .005 A 7 LEU HBx H 1 1.54 .005 A 7 LEU HDx% H 1 0.94 .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 55.45 .005 A 7 LEU CB C 13 42.69 .005 A 7 LEU CDy C 13 24.64 .005 A 7 LEU CDx C 13 24.60 .005 A 7 LEU CG C 13 27.06 .005 A 7 LEU N N 15 121.40 .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 1.76 .005 A 8 LYS HDx H 1 1.68 .005 A 8 LYS HDy H 1 1.68 .005 A 8 LYS HEx H 1 2.99 .005 A 8 LYS HEy H 1 2.99 .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 56.27 .005 A 8 LYS CB C 13 33.07 .005 A 8 LYS CD C 13 29.15 .005 A 8 LYS CE C 13 42.14 .005 A 8 LYS CG C 13 24.75 .005 A 8 LYS N N 15 125.00 .005 B 1 A2G H1 H 1 4.89 .005 B 1 A2G H14 H 1 3.71 .005 B 1 A2G H2 H 1 4.07 .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 4.00 .005 B 1 A2G H6x H 1 3.71 .005 B 1 A2G H6y H 1 3.71 .005 B 1 A2G H8% H 1 2.00 .005 B 1 A2G H8A H 1 2.00 .005 B 1 A2G H8B H 1 2.00 .005 B 1 A2G HN2 H 1 7.73 .005 B 1 A2G C1 C 13 101.55 .005 B 1 A2G C2 C 13 52.63 .005 B 1 A2G C3 C 13 70.97 .005 B 1 A2G C4 C 13 71.39 .005 B 1 A2G C5 C 13 74.17 .005 B 1 A2G C6 C 13 64.10 .005 B 1 A2G C8 C 13 25.14 .005 B 1 A2G N2 N 15 122.40 .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 3 THR H B 1 A2G H3 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 H B 1 A2G H1 1.0 1.8 5.0 4 4 A 3 THR HB B 1 A2G HN2 1.0 1.8 5.0 5 5 B 1 A2G HN2 A 2 PRO HA 1.0 1.8 5.0 6 6 B 1 A2G HN2 A 3 THR HA 1.0 1.8 5.0 7 7 B 1 A2G HN2 A 4 THR HA 1.0 1.8 5.0 8 8 A 5 THR H B 1 A2G H8% 1.0 1.8 5.0 9 9 B 1 A2G H8% A 4 THR H 1.0 1.8 5.0 10 10 A 3 THR H A 4 THR H 1.0 1.8 5.0 11 11 A 3 THR H B 1 A2G HN2 1.0 1.8 5.0 12 12 A 5 THR H A 4 THR H 1.0 1.8 5.0 13 13 A 8 LYS H A 7 LEU H 1.0 1.8 5.0 14 14 A 3 THR H A 3 THR HA 1.0 1.8 5.0 15 15 B 1 A2G H1 A 4 THR H 1.0 1.8 5.0 16 16 B 1 A2G H1 B 1 A2G HN2 1.0 1.8 5.0 17 17 A 5 THR H A 5 THR HA 1.0 1.8 5.0 18 18 A 3 THR HA A 4 THR H 1.0 1.8 3.0 19 19 A 4 THR HA A 4 THR H 1.0 1.8 5.0 20 20 A 5 THR H A 4 THR HA 1.0 1.8 3.0 21 21 A 3 THR H A 2 PRO HA 1.0 1.8 3.0 22 22 A 7 LEU H A 6 PRO HA 1.0 1.8 3.0 23 23 A 3 THR H A 3 THR HB 1.0 1.8 5.0 24 24 A 3 THR HB A 4 THR H 1.0 1.8 4.0 25 25 A 5 THR H A 5 THR HB 1.0 1.8 5.0 26 26 A 5 THR H A 4 THR HB 1.0 1.8 5.0 27 27 A 4 THR HB A 4 THR H 1.0 1.8 5.0 28 28 A 8 LYS H A 8 LYS HA 1.0 1.8 5.0 29 29 A 7 LEU H A 7 LEU HA 1.0 1.8 5.0 30 30 A 8 LYS H A 7 LEU HA 1.0 1.8 3.0 31 31 A 7 LEU H A 6 PRO HBy 1.0 1.8 5.0 32 32 A 8 LYS H A 8 LYS HBx 1.0 1.8 5.0 33 33 A 8 LYS H A 8 LYS HBy 1.0 1.8 5.0 34 34 A 8 LYS H A 7 LEU HG 1.0 1.8 5.0 35 35 A 7 LEU H A 7 LEU HBy 1.0 1.8 4.0 36 36 A 7 LEU H A 7 LEU HBx 1.0 1.8 5.0 37 37 A 5 THR H A 5 THR HG2% 1.0 1.8 5.0 38 38 A 3 THR H A 3 THR HG2% 1.0 1.8 5.0 39 39 A 4 THR H A 3 THR HG2% 1.0 1.8 5.0 40 40 A 5 THR H A 4 THR HG2% 1.0 1.8 5.0 41 41 A 4 THR H A 4 THR HG2% 1.0 1.8 5.0 42 42 A 8 LYS H A 7 LEU HDy% 1.0 1.8 5.0 43 42 A 8 LYS H A 7 LEU HDx% 1.0 1.8 5.0 44 43 A 3 THR H B 1 A2G H8% 1.0 1.8 5.0 45 44 A 7 LEU H A 6 PRO HBx 1.0 1.8 5.0 46 45 B 1 A2G H1 A 3 THR HB 1.0 1.8 4.0 47 46 A 5 THR HB A 5 THR HA 1.0 1.8 4.0 48 47 A 6 PRO HDy A 5 THR HA 1.0 1.8 3.0 49 48 A 6 PRO HDx A 5 THR HA 1.0 1.8 3.0 50 49 A 3 THR HB A 3 THR HA 1.0 1.8 5.0 51 50 A 4 THR HB A 4 THR HA 1.0 1.8 4.0 52 51 A 6 PRO HDy A 5 THR HB 1.0 1.8 5.0 53 52 A 6 PRO HDx A 5 THR HB 1.0 1.8 4.0 54 53 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.0 55 54 B 1 A2G H1 A 3 THR HG2% 1.0 1.8 5.0 56 55 A 5 THR HA A 5 THR HG2% 1.0 1.8 5.0 57 56 A 3 THR HA A 3 THR HG2% 1.0 1.8 5.0 58 57 A 4 THR HA A 4 THR HG2% 1.0 1.8 5.0 59 58 A 6 PRO HA A 6 PRO HBy 1.0 1.8 5.0 60 59 A 3 THR HB A 3 THR HG2% 1.0 1.8 5.0 61 60 A 5 THR HB A 5 THR HG2% 1.0 1.8 5.0 62 61 A 4 THR HB A 4 THR HG2% 1.0 1.8 5.0 63 62 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 5.0 64 63 A 7 LEU HA A 7 LEU HBx 1.0 1.8 4.0 65 64 A 7 LEU HA A 7 LEU HDy% 1.0 1.8 5.0 66 65 B 1 A2G H5 A 3 THR HG2% 1.0 1.8 5.0 67 66 A 6 PRO HDy A 5 THR HG2% 1.0 1.8 5.0 68 67 A 6 PRO HDx A 5 THR HG2% 1.0 1.8 5.0 69 68 A 2 PRO HA A 2 PRO HBy 1.0 1.8 5.0 70 69 A 6 PRO HA A 6 PRO HBx 1.0 1.8 3.0 71 70 A 2 PRO HA A 2 PRO HBx 1.0 1.8 5.0 72 71 A 5 THR HA A 6 PRO HGx 1.0 1.8 5.0 73 71 A 5 THR HA A 6 PRO HGy 1.0 1.8 5.0 74 72 A 2 PRO HA A 2 PRO HGx 1.0 1.8 5.0 75 72 A 2 PRO HA A 2 PRO HGy 1.0 1.8 5.0 76 73 A 2 PRO HA A 2 PRO HBx 1.0 1.8 5.0 77 73 A 2 PRO HA A 2 PRO HBy 1.0 1.8 5.0 78 74 A 6 PRO HA A 6 PRO HGx 1.0 1.8 5.0 79 74 A 6 PRO HA A 6 PRO HGy 1.0 1.8 5.0 80 75 A 6 PRO HBy A 6 PRO HGx 1.0 1.8 4.0 81 76 A 6 PRO HBy A 6 PRO HGy 1.0 1.8 3.0 82 77 A 8 LYS HGy A 8 LYS HDx 1.0 1.8 5.0 83 77 A 8 LYS HDy A 8 LYS HGy 1.0 1.8 5.0 84 78 A 7 LEU HG A 7 LEU HDy% 1.0 1.8 5.0 85 79 A 7 LEU HG A 7 LEU HDx% 1.0 1.8 5.0 86 80 B 1 A2G H8% A 5 THR HG2% 1.0 1.8 5.0 87 81 A 8 LYS HGx A 8 LYS HDx 1.0 1.8 5.0 88 81 A 8 LYS HDy A 8 LYS HGx 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 1.0 275.0 325.0 . 2 2 A 5 THR HA A 5 THR CA A 5 THR CB A 5 THR HB 1.0 245.0 295.0 . 3 3 B 1 A2G HN2 B 1 A2G N2 B 1 A2G C2 B 1 A2G H2 1.0 175.0 185.0 . stop_ save_