data_nef_c16612_2kqt 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 2KAD PDB 2H95 PDB 2RLF PDB 3C9J PDB 1NYJ PDB 3BKD stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 22 SER start . . 2 A 23 SER middle . . 3 A 24 ASP middle . . 4 A 25 PRO middle . false 5 A 26 LEU middle . . 6 A 27 VAL middle . . 7 A 28 VAL middle . . 8 A 29 ALA middle . . 9 A 30 ALA middle . . 10 A 31 SER middle . . 11 A 32 ILE middle . . 12 A 33 ILE middle . . 13 A 34 GLY middle . false 14 A 35 ILE middle . . 15 A 36 LEU middle . . 16 A 37 HIS middle . . 17 A 38 LEU middle . . 18 A 39 ILE middle . . 19 A 40 LEU middle . . 20 A 41 TRP middle . . 21 A 42 ILE middle . . 22 A 43 LEU middle . . 23 A 44 ASP middle . . 24 A 45 ARG middle . . 25 A 46 LEU end . . 26 B 22 SER start . . 27 B 23 SER middle . . 28 B 24 ASP middle . . 29 B 25 PRO middle . false 30 B 26 LEU middle . . 31 B 27 VAL middle . . 32 B 28 VAL middle . . 33 B 29 ALA middle . . 34 B 30 ALA middle . . 35 B 31 SER middle . . 36 B 32 ILE middle . . 37 B 33 ILE middle . . 38 B 34 GLY middle . false 39 B 35 ILE middle . . 40 B 36 LEU middle . . 41 B 37 HIS middle . . 42 B 38 LEU middle . . 43 B 39 ILE middle . . 44 B 40 LEU middle . . 45 B 41 TRP middle . . 46 B 42 ILE middle . . 47 B 43 LEU middle . . 48 B 44 ASP middle . . 49 B 45 ARG middle . . 50 B 46 LEU end . . 51 C 22 SER start . . 52 C 23 SER middle . . 53 C 24 ASP middle . . 54 C 25 PRO middle . false 55 C 26 LEU middle . . 56 C 27 VAL middle . . 57 C 28 VAL middle . . 58 C 29 ALA middle . . 59 C 30 ALA middle . . 60 C 31 SER middle . . 61 C 32 ILE middle . . 62 C 33 ILE middle . . 63 C 34 GLY middle . false 64 C 35 ILE middle . . 65 C 36 LEU middle . . 66 C 37 HIS middle . . 67 C 38 LEU middle . . 68 C 39 ILE middle . . 69 C 40 LEU middle . . 70 C 41 TRP middle . . 71 C 42 ILE middle . . 72 C 43 LEU middle . . 73 C 44 ASP middle . . 74 C 45 ARG middle . . 75 C 46 LEU end . . 76 D 22 SER start . . 77 D 23 SER middle . . 78 D 24 ASP middle . . 79 D 25 PRO middle . false 80 D 26 LEU middle . . 81 D 27 VAL middle . . 82 D 28 VAL middle . . 83 D 29 ALA middle . . 84 D 30 ALA middle . . 85 D 31 SER middle . . 86 D 32 ILE middle . . 87 D 33 ILE middle . . 88 D 34 GLY middle . false 89 D 35 ILE middle . . 90 D 36 LEU middle . . 91 D 37 HIS middle . . 92 D 38 LEU middle . . 93 D 39 ILE middle . . 94 D 40 LEU middle . . 95 D 41 TRP middle . . 96 D 42 ILE middle . . 97 D 43 LEU middle . . 98 D 44 ASP middle . . 99 D 45 ARG middle . . 100 D 46 LEU end . . 101 E 1 308 . . . 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 26 LEU C C 13 178.0 0.9 A 26 LEU CA C 13 57.5 0.7 A 26 LEU CB C 13 41.2 1.4 A 26 LEU CDy C 13 25.9 0.9 A 26 LEU CDx C 13 22.9 0.8 A 26 LEU CG C 13 26.8 0.7 A 26 LEU N N 15 117.5 2.0 A 27 VAL C C 13 180.0 0.6 A 27 VAL CA C 13 63.1 0.7 A 27 VAL CB C 13 31.3 0.7 A 27 VAL CGy C 13 22.9 0.6 A 27 VAL CGx C 13 21.0 0.6 A 27 VAL N N 15 119.8 1.5 A 29 ALA C C 13 178.7 1.0 A 29 ALA CA C 13 55.1 0.7 A 29 ALA CB C 13 17.9 1.0 A 29 ALA N N 15 120.8 1.7 A 31 SER C C 13 174.5 0.6 A 31 SER CA C 13 62.7 0.7 A 31 SER CB C 13 61.2 0.9 A 31 SER N N 15 120.8 1.4 A 33 ILE C C 13 177.3 0.8 A 33 ILE CA C 13 65.7 0.7 A 33 ILE CB C 13 37.6 0.9 A 33 ILE CD1 C 13 14.1 0.9 A 33 ILE CG1 C 13 29.9 0.8 A 33 ILE CG2 C 13 16.9 0.6 A 33 ILE N N 15 122.8 1.4 A 34 GLY C C 13 176.8 0.8 A 34 GLY CA C 13 46.6 0.8 A 34 GLY N N 15 110.2 1.8 A 38 ASP C C 13 177.4 0.6 A 38 ASP CA C 13 57.3 0.7 A 38 ASP CB C 13 44.1 1.4 A 38 ASP CG C 13 178.2 0.4 A 38 ASP N N 15 118.7 1.2 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 27 VAL CGy A 31 SER CA 1.0 5.0 5.8 2 2 A 31 SER CA A 34 GLY CA 1.0 4.4 5.4 3 3 A 27 VAL CGy A 34 GLY CA 1.0 9.2 11.2 4 4 B 27 VAL CGx B 31 SER CA 1.0 5.0 5.8 5 5 B 31 SER CA B 34 GLY CA 1.0 4.4 5.4 6 6 B 27 VAL CGx B 34 GLY CA 1.0 9.2 11.2 7 7 C 27 VAL CGx C 31 SER CA 1.0 5.0 5.8 8 8 C 31 SER CA C 34 GLY CA 1.0 4.4 5.4 9 9 C 27 VAL CGx C 34 GLY CA 1.0 9.2 11.2 10 10 D 27 VAL CGx D 31 SER CA 1.0 5.0 5.8 11 11 D 31 SER CA D 34 GLY CA 1.0 4.4 5.4 12 12 D 27 VAL CGx D 34 GLY CA 1.0 9.2 11.2 13 13 A 27 VAL CGy C 27 VAL CGx 1.0 7.1 8.1 14 14 A 31 SER CA C 31 SER CA 1.0 11.3 12.6 15 15 A 34 GLY CA C 34 GLY CA 1.0 9.3 10.3 16 16 A 41 TRP HZ3 C 41 TRP HZ3 1.0 15.7 17.3 17 17 B 27 VAL CGx D 27 VAL CGx 1.0 7.1 8.1 18 18 B 31 SER CA D 31 SER CA 1.0 11.3 12.6 19 19 B 34 GLY CA D 34 GLY CA 1.0 9.3 10.3 20 20 B 41 TRP HZ3 D 41 TRP HZ3 1.0 15.7 17.3 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 27 VAL N A 27 VAL CA A 27 VAL CB A 27 VAL CG1 1.0 154.0 162.0 CHI1 2 2 A 28 VAL N A 28 VAL CA A 28 VAL CB A 28 VAL CG1 1.0 160.0 168.0 CHI1 3 3 B 27 VAL N B 27 VAL CA B 27 VAL CB B 27 VAL CG1 1.0 154.0 162.0 CHI1 4 4 B 28 VAL N B 28 VAL CA B 28 VAL CB B 28 VAL CG1 1.0 160.0 168.0 CHI1 5 5 C 27 VAL N C 27 VAL CA C 27 VAL CB C 27 VAL CG1 1.0 154.0 162.0 CHI1 6 6 C 28 VAL N C 28 VAL CA C 28 VAL CB C 28 VAL CG1 1.0 160.0 168.0 CHI1 7 7 D 27 VAL N D 27 VAL CA D 27 VAL CB D 27 VAL CG1 1.0 154.0 162.0 CHI1 8 8 D 28 VAL N D 28 VAL CA D 28 VAL CB D 28 VAL CG1 1.0 160.0 168.0 CHI1 stop_ save_