data_nef_c19759_2mk7 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 PDB 2MK7 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 5 THR OG1 2 2 A2G C1 1 6 THR OG1 2 3 A2G C1 1 7 THR OG1 2 4 A2G C1 1 10 PRO C 1 11 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 PRO middle . false 4 A 4 THR middle . . 5 A 5 THR middle . . 6 A 6 THR middle . . 7 A 7 THR middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 PRO middle -OXT false 11 A 11 NH2 end . . 12 B 1 A2G . -O1 . 13 B 2 A2G . -O1 . 14 B 3 A2G . -O1 . 15 B 4 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 4.69 0.005 A 2 PRO HBy H 1 2.36 0.005 A 2 PRO HBx H 1 1.93 0.005 A 2 PRO HDx H 1 3.64 0.005 A 2 PRO HDy H 1 3.64 0.005 A 2 PRO HGx H 1 1.99 0.005 A 2 PRO HGy H 1 1.99 0.005 A 2 PRO CA C 13 61.04 0.03 A 2 PRO CB C 13 31.40 0.03 A 2 PRO CD C 13 51.46 0.03 A 2 PRO CG C 13 27.00 0.03 A 3 PRO HA H 1 4.65 0.005 A 3 PRO HBy H 1 2.34 0.005 A 3 PRO HBx H 1 1.96 0.005 A 3 PRO HDy H 1 3.83 0.005 A 3 PRO HDx H 1 3.65 0.005 A 3 PRO HGx H 1 2.04 0.005 A 3 PRO HGy H 1 2.04 0.005 A 3 PRO CA C 13 62.77 0.03 A 3 PRO CB C 13 32.12 0.03 A 3 PRO CD C 13 50.43 0.03 A 3 PRO CG C 13 27.37 0.03 A 4 THR H H 1 8.71 0.005 A 4 THR HA H 1 4.71 0.005 A 4 THR HB H 1 4.41 0.005 A 4 THR HG2% H 1 1.34 0.005 A 4 THR CA C 13 59.90 0.03 A 4 THR CB C 13 79.32 0.03 A 4 THR CG2 C 13 21.26 0.03 A 4 THR N N 15 113.20 0.05 A 5 THR H H 1 8.91 0.005 A 5 THR HA H 1 4.79 0.005 A 5 THR HB H 1 4.45 0.005 A 5 THR HG2% H 1 1.26 0.005 A 5 THR CA C 13 59.28 0.03 A 5 THR CB C 13 80.09 0.03 A 5 THR CG2 C 13 21.37 0.03 A 5 THR N N 15 111.80 0.05 A 6 THR H H 1 8.94 0.005 A 6 THR HA H 1 4.75 0.005 A 6 THR HB H 1 4.42 0.005 A 6 THR HG2% H 1 1.22 0.005 A 6 THR CA C 13 59.27 0.03 A 6 THR CB C 13 80.72 0.03 A 6 THR CG2 C 13 21.42 0.03 A 6 THR N N 15 110.60 0.05 A 7 THR H H 1 8.88 0.005 A 7 THR HA H 1 4.53 0.005 A 7 THR HB H 1 4.28 0.005 A 7 THR HG2% H 1 1.21 0.005 A 7 THR CA C 13 59.22 0.03 A 7 THR CB C 13 79.40 0.03 A 7 THR CG2 C 13 21.53 0.03 A 7 THR N N 15 109.80 0.05 A 8 LYS H H 1 8.46 0.005 A 8 LYS HA H 1 4.24 0.005 A 8 LYS HBy H 1 1.72 0.005 A 8 LYS HBx H 1 1.70 0.005 A 8 LYS HDx H 1 1.70 0.005 A 8 LYS HDy H 1 1.70 0.005 A 8 LYS HEx H 1 3.02 0.005 A 8 LYS HEy H 1 3.02 0.005 A 8 LYS HGx H 1 1.43 0.005 A 8 LYS HGy H 1 1.43 0.005 A 8 LYS CA C 13 55.34 0.03 A 8 LYS CB C 13 33.94 0.03 A 8 LYS CD C 13 29.18 0.03 A 8 LYS CE C 13 41.83 0.03 A 8 LYS CG C 13 24.73 0.03 A 8 LYS N N 15 119.60 0.05 A 9 LYS H H 1 8.50 0.005 A 9 LYS HA H 1 4.40 0.005 A 9 LYS HBx H 1 1.79 0.005 A 9 LYS HBy H 1 1.79 0.005 A 9 LYS HDx H 1 1.72 0.005 A 9 LYS HDy H 1 1.72 0.005 A 9 LYS HEx H 1 3.02 0.005 A 9 LYS HEy H 1 3.02 0.005 A 9 LYS HGx H 1 1.52 0.005 A 9 LYS HGy H 1 1.52 0.005 A 9 LYS CA C 13 54.57 0.03 A 9 LYS CB C 13 32.58 0.03 A 9 LYS CD C 13 29.42 0.03 A 9 LYS CE C 13 41.83 0.03 A 9 LYS CG C 13 24.41 0.03 A 9 LYS N N 15 124.60 0.05 A 10 PRO HA H 1 4.36 0.005 A 10 PRO HBy H 1 2.32 0.005 A 10 PRO HBx H 1 1.92 0.005 A 10 PRO HDy H 1 3.93 0.005 A 10 PRO HDx H 1 3.64 0.005 A 10 PRO HGy H 1 2.06 0.005 A 10 PRO HGx H 1 2.04 0.005 A 10 PRO CA C 13 63.05 0.03 A 10 PRO CB C 13 32.33 0.03 A 10 PRO CD C 13 51.02 0.03 A 10 PRO CG C 13 27.48 0.03 B 1 A2G H1 H 1 4.74 0.005 B 1 A2G H14 H 1 3.73 0.005 B 1 A2G H2 H 1 4.03 0.005 B 1 A2G H3 H 1 3.89 0.005 B 1 A2G H4 H 1 3.96 0.005 B 1 A2G H5 H 1 4.05 0.005 B 1 A2G H6x H 1 3.73 0.005 B 1 A2G H6y H 1 3.73 0.005 B 1 A2G H8% H 1 2.05 0.005 B 1 A2G H8A H 1 2.05 0.005 B 1 A2G H8B H 1 2.05 0.005 B 1 A2G HN2 H 1 7.75 0.005 B 1 A2G C1 C 13 101.67 0.03 B 1 A2G C2 C 13 52.47 0.03 B 1 A2G C3 C 13 70.92 0.03 B 1 A2G C4 C 13 71.22 0.03 B 1 A2G C5 C 13 74.12 0.03 B 1 A2G C6 C 13 64.10 0.03 B 1 A2G C8 C 13 25.18 0.03 B 1 A2G N2 N 15 122.00 0.05 B 2 A2G H1 H 1 4.71 0.005 B 2 A2G H14 H 1 3.73 0.005 B 2 A2G H2 H 1 4.01 0.005 B 2 A2G H3 H 1 3.88 0.005 B 2 A2G H4 H 1 3.94 0.005 B 2 A2G H5 H 1 4.00 0.005 B 2 A2G H6x H 1 3.73 0.005 B 2 A2G H6y H 1 3.73 0.005 B 2 A2G H8% H 1 2.04 0.005 B 2 A2G H8A H 1 2.04 0.005 B 2 A2G H8B H 1 2.04 0.005 B 2 A2G HN2 H 1 7.67 0.005 B 2 A2G C1 C 13 101.86 0.03 B 2 A2G C2 C 13 52.33 0.03 B 2 A2G C3 C 13 70.90 0.03 B 2 A2G C4 C 13 71.20 0.03 B 2 A2G C5 C 13 74.00 0.03 B 2 A2G C6 C 13 64.10 0.03 B 2 A2G C8 C 13 25.17 0.03 B 2 A2G N2 N 15 121.90 0.05 B 3 A2G H1 H 1 4.82 0.005 B 3 A2G H14 H 1 3.73 0.005 B 3 A2G H2 H 1 4.09 0.005 B 3 A2G H3 H 1 3.87 0.005 B 3 A2G H4 H 1 3.99 0.005 B 3 A2G H5 H 1 4.00 0.005 B 3 A2G H6x H 1 3.73 0.005 B 3 A2G H6y H 1 3.73 0.005 B 3 A2G H8% H 1 2.03 0.005 B 3 A2G H8A H 1 2.03 0.005 B 3 A2G H8B H 1 2.03 0.005 B 3 A2G HN2 H 1 7.49 0.005 B 3 A2G C1 C 13 102.18 0.03 B 3 A2G C2 C 13 52.34 0.03 B 3 A2G C3 C 13 70.88 0.03 B 3 A2G C4 C 13 71.05 0.03 B 3 A2G C5 C 13 74.00 0.03 B 3 A2G C6 C 13 64.10 0.03 B 3 A2G C8 C 13 25.15 0.03 B 3 A2G N2 N 15 121.90 0.05 B 4 A2G H1 H 1 4.85 0.005 B 4 A2G H14 H 1 3.73 0.005 B 4 A2G H2 H 1 4.09 0.005 B 4 A2G H3 H 1 3.86 0.005 B 4 A2G H4 H 1 3.98 0.005 B 4 A2G H5 H 1 4.00 0.005 B 4 A2G H6x H 1 3.73 0.005 B 4 A2G H6y H 1 3.73 0.005 B 4 A2G H8% H 1 2.06 0.005 B 4 A2G H8A H 1 2.06 0.005 B 4 A2G H8B H 1 2.06 0.005 B 4 A2G HN2 H 1 7.61 0.005 B 4 A2G C1 C 13 101.61 0.03 B 4 A2G C2 C 13 52.21 0.03 B 4 A2G C3 C 13 70.87 0.03 B 4 A2G C4 C 13 71.10 0.03 B 4 A2G C5 C 13 74.00 0.03 B 4 A2G C6 C 13 64.10 0.03 B 4 A2G C8 C 13 25.20 0.03 B 4 A2G N2 N 15 121.80 0.05 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 7 THR HA A 8 LYS HA 1.0 1.8 5.0 2 2 A 4 THR HA A 5 THR HA 1.0 1.8 5.0 3 3 A 7 THR HA A 6 THR HA 1.0 1.8 5.0 4 4 A 5 THR HA A 5 THR HB 1.0 1.8 5.0 5 5 A 4 THR HA A 4 THR HB 1.0 1.8 5.0 6 6 A 2 PRO HA A 3 PRO HDy 1.0 1.8 4.0 7 7 A 7 THR HA A 7 THR HB 1.0 1.8 5.0 8 8 A 9 LYS HA A 10 PRO HDy 1.0 1.8 3.0 9 9 A 2 PRO HA A 2 PRO HBy 1.0 1.8 4.0 10 10 A 3 PRO HA A 3 PRO HBy 1.0 1.8 5.0 11 11 A 10 PRO HA A 10 PRO HBy 1.0 1.8 5.0 12 12 A 5 THR HA A 5 THR HG2% 1.0 1.8 5.0 13 13 A 6 THR HA A 6 THR HG2% 1.0 1.8 5.0 14 14 A 2 PRO HA A 2 PRO HGx 1.0 1.8 5.0 15 14 A 2 PRO HA A 2 PRO HGy 1.0 1.8 5.0 16 15 A 4 THR HA A 4 THR HG2% 1.0 1.8 5.0 17 16 A 3 PRO HA A 4 THR HG2% 1.0 1.8 5.0 18 17 A 6 THR HA A 7 THR HG2% 1.0 1.8 5.0 19 18 A 7 THR HA A 7 THR HG2% 1.0 1.8 5.0 20 19 A 5 THR HB A 5 THR HG2% 1.0 1.8 5.0 21 20 A 6 THR HB A 6 THR HG2% 1.0 1.8 5.0 22 21 A 4 THR HB A 4 THR HG2% 1.0 1.8 5.0 23 22 A 9 LYS HA A 9 LYS HBx 1.0 1.8 5.0 24 22 A 9 LYS HA A 9 LYS HBy 1.0 1.8 5.0 25 23 A 9 LYS HA A 9 LYS HGx 1.0 1.8 5.0 26 23 A 9 LYS HA A 9 LYS HGy 1.0 1.8 5.0 27 24 A 7 THR HB A 7 THR HG2% 1.0 1.8 5.0 28 25 A 8 LYS HA A 8 LYS HBy 1.0 1.8 5.0 29 25 A 8 LYS HA A 8 LYS HBx 1.0 1.8 5.0 30 26 A 2 PRO HDy A 2 PRO HGx 1.0 1.8 4.0 31 26 A 2 PRO HGy A 2 PRO HDx 1.0 1.8 4.0 32 26 A 2 PRO HGy A 2 PRO HDy 1.0 1.8 4.0 33 26 A 2 PRO HDx A 2 PRO HGx 1.0 1.8 4.0 34 27 A 2 PRO HBy A 2 PRO HGx 1.0 1.8 5.0 35 27 A 2 PRO HBy A 2 PRO HGy 1.0 1.8 5.0 36 28 A 9 LYS HDx A 9 LYS HEx 1.0 1.8 5.0 37 28 A 9 LYS HDy A 9 LYS HEx 1.0 1.8 5.0 38 28 A 9 LYS HEy A 9 LYS HDx 1.0 1.8 5.0 39 28 A 9 LYS HDy A 9 LYS HEy 1.0 1.8 5.0 40 29 A 8 LYS HDy A 8 LYS HEx 1.0 1.8 5.0 41 29 A 8 LYS HDx A 8 LYS HEx 1.0 1.8 5.0 42 29 A 8 LYS HEy A 8 LYS HDx 1.0 1.8 5.0 43 29 A 8 LYS HDy A 8 LYS HEy 1.0 1.8 5.0 44 30 A 9 LYS HBx A 9 LYS HGx 1.0 1.8 4.0 45 30 A 9 LYS HBy A 9 LYS HGx 1.0 1.8 4.0 46 30 A 9 LYS HGy A 9 LYS HBx 1.0 1.8 4.0 47 30 A 9 LYS HBy A 9 LYS HGy 1.0 1.8 4.0 48 31 A 9 LYS HDx A 9 LYS HGx 1.0 1.8 3.0 49 31 A 9 LYS HDy A 9 LYS HGx 1.0 1.8 3.0 50 31 A 9 LYS HGy A 9 LYS HDx 1.0 1.8 3.0 51 31 A 9 LYS HGy A 9 LYS HDy 1.0 1.8 3.0 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 save_