data_nef_c30227_5ugk 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 5UGK 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 2 HIS NE2 13 1 ZN ZN 1 4 HIS ND1 13 1 ZN ZN 2 2 HIS ND1 13 2 ZN ZN 2 4 HIS ND1 13 1 ZN ZN 2 4 HIS NE2 13 2 ZN ZN 3 2 HIS ND1 13 2 ZN ZN 3 2 HIS NE2 13 3 ZN ZN 3 4 HIS ND1 13 3 ZN ZN 4 2 HIS ND1 13 4 ZN ZN 4 4 HIS ND1 13 3 ZN ZN 4 4 HIS NE2 13 4 ZN ZN 5 2 HIS ND1 13 4 ZN ZN 5 2 HIS NE2 13 5 ZN ZN 5 4 HIS ND1 13 5 ZN ZN 6 2 HIS ND1 13 6 ZN ZN 6 4 HIS ND1 13 5 ZN ZN 6 4 HIS NE2 13 6 ZN ZN 7 2 HIS NE2 13 7 ZN ZN 7 4 HIS ND1 13 7 ZN ZN 8 2 HIS ND1 13 8 ZN ZN 8 4 HIS ND1 13 7 ZN ZN 8 4 HIS NE2 13 8 ZN ZN 9 2 HIS ND1 13 8 ZN ZN 9 2 HIS NE2 13 9 ZN ZN 9 4 HIS ND1 13 9 ZN ZN 10 2 HIS ND1 13 10 ZN ZN 10 4 HIS ND1 13 9 ZN ZN 10 4 HIS NE2 13 10 ZN ZN 11 2 HIS ND1 13 10 ZN ZN 11 2 HIS NE2 13 11 ZN ZN 11 4 HIS ND1 13 11 ZN ZN 12 2 HIS ND1 13 12 ZN ZN 12 4 HIS ND1 13 11 ZN ZN 12 4 HIS NE2 13 12 ZN ZN 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 ILE start . . 2 A 2 HIS middle -HE2 . 3 A 3 VAL middle . . 4 A 4 HIS middle -HD1 . 5 A 5 LEU middle . . 6 A 6 GLN middle . . 7 A 7 ILE end . . 8 K 1 ILE start . . 9 K 2 HIS middle -HD1 . 10 K 3 VAL middle . . 11 K 4 HIS middle -HD1,-HE2 . 12 K 5 LEU middle . . 13 K 6 GLN middle . . 14 K 7 ILE end . . 15 I 1 ILE start . . 16 I 2 HIS middle -HD1,-HE2 . 17 I 3 VAL middle . . 18 I 4 HIS middle -HD1 . 19 I 5 LEU middle . . 20 I 6 GLN middle . . 21 I 7 ILE end . . 22 Q 1 ILE start . . 23 Q 2 HIS middle -HD1 . 24 Q 3 VAL middle . . 25 Q 4 HIS middle -HD1,-HE2 . 26 Q 5 LEU middle . . 27 Q 6 GLN middle . . 28 Q 7 ILE end . . 29 O 1 ILE start . . 30 O 2 HIS middle -HD1,-HE2 . 31 O 3 VAL middle . . 32 O 4 HIS middle -HD1 . 33 O 5 LEU middle . . 34 O 6 GLN middle . . 35 O 7 ILE end . . 36 U 1 ILE start . . 37 U 2 HIS middle -HD1 . 38 U 3 VAL middle . . 39 U 4 HIS middle -HD1,-HE2 . 40 U 5 LEU middle . . 41 U 6 GLN middle . . 42 U 7 ILE end . . 43 S 1 ILE start . . 44 S 2 HIS middle -HE2 . 45 S 3 VAL middle . . 46 S 4 HIS middle -HD1 . 47 S 5 LEU middle . . 48 S 6 GLN middle . . 49 S 7 ILE end . . 50 Y 1 ILE start . . 51 Y 2 HIS middle -HD1 . 52 Y 3 VAL middle . . 53 Y 4 HIS middle -HD1,-HE2 . 54 Y 5 LEU middle . . 55 Y 6 GLN middle . . 56 Y 7 ILE end . . 57 W 1 ILE start . . 58 W 2 HIS middle -HD1,-HE2 . 59 W 3 VAL middle . . 60 W 4 HIS middle -HD1 . 61 W 5 LEU middle . . 62 W 6 GLN middle . . 63 W 7 ILE end . . 64 C 1 ILE start . . 65 C 2 HIS middle -HD1 . 66 C 3 VAL middle . . 67 C 4 HIS middle -HD1,-HE2 . 68 C 5 LEU middle . . 69 C 6 GLN middle . . 70 C 7 ILE end . . 71 E 1 ILE start . . 72 E 2 HIS middle -HD1,-HE2 . 73 E 3 VAL middle . . 74 E 4 HIS middle -HD1 . 75 E 5 LEU middle . . 76 E 6 GLN middle . . 77 E 7 ILE end . . 78 G 1 ILE start . . 79 G 2 HIS middle -HD1 . 80 G 3 VAL middle . . 81 G 4 HIS middle -HD1,-HE2 . 82 G 5 LEU middle . . 83 G 6 GLN middle . . 84 G 7 ILE end . . 85 B 1 ZN . . . 86 B 2 ZN . . . 87 B 3 ZN . . . 88 B 4 ZN . . . 89 B 5 ZN . . . 90 B 6 ZN . . . 91 B 7 ZN . . . 92 B 8 ZN . . . 93 B 9 ZN . . . 94 B 10 ZN . . . 95 B 11 ZN . . . 96 B 12 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 1 ILE C C 13 171.80 0.20 A 1 ILE CA C 13 58.80 0.20 A 1 ILE CB C 13 39.90 0.20 A 1 ILE CD1 C 13 12.90 0.20 A 1 ILE CG1 C 13 25.00 0.20 A 1 ILE CG2 C 13 15.70 0.20 A 1 ILE N N 15 125.00 0.20 A 2 HIS C C 13 171.50 0.20 A 2 HIS CA C 13 51.30 0.20 A 2 HIS CB C 13 31.80 0.20 A 2 HIS CD2 C 13 121.90 0.20 A 2 HIS CE1 C 13 143.90 0.20 A 2 HIS CG C 13 135.00 0.20 A 2 HIS N N 15 130.60 0.20 A 2 HIS ND1 N 15 210.50 0.20 A 2 HIS NE2 N 15 208.00 0.20 A 3 VAL C C 13 170.50 0.20 A 3 VAL CA C 13 58.50 0.20 A 3 VAL CB C 13 31.40 0.20 A 3 VAL CGx C 13 18.60 0.20 A 3 VAL CGy C 13 18.60 0.20 A 3 VAL N N 15 128.30 0.20 A 4 HIS C C 13 171.90 0.20 A 4 HIS CA C 13 50.50 0.20 A 4 HIS CB C 13 31.50 0.20 A 4 HIS CD2 C 13 120.30 0.20 A 4 HIS CE1 C 13 144.50 0.20 A 4 HIS CG C 13 135.70 0.20 A 4 HIS N N 15 129.30 0.20 A 4 HIS ND1 N 15 210.00 0.20 A 4 HIS NE2 N 15 207.00 0.20 A 5 LEU C C 13 172.80 0.20 A 5 LEU CA C 13 51.20 0.20 A 5 LEU CB C 13 43.50 0.20 A 5 LEU CDy C 13 24.50 0.20 A 5 LEU CDx C 13 23.70 0.20 A 5 LEU CG C 13 25.60 0.20 A 5 LEU N N 15 123.90 0.20 A 7 ILE C C 13 174.50 0.20 A 7 ILE CA C 13 57.60 0.20 A 7 ILE CB C 13 36.90 0.20 A 7 ILE CD1 C 13 11.70 0.20 A 7 ILE CG1 C 13 25.30 0.20 A 7 ILE CG2 C 13 16.10 0.20 K 1 ILE C C 13 171.80 0.20 K 1 ILE CA C 13 58.80 0.20 K 1 ILE CB C 13 39.30 0.20 K 1 ILE CD1 C 13 12.90 0.20 K 1 ILE CG1 C 13 25.00 0.20 K 1 ILE CG2 C 13 15.70 0.20 K 1 ILE N N 15 125.00 0.20 K 2 HIS C C 13 171.90 0.20 K 2 HIS CA C 13 52.80 0.20 K 2 HIS CB C 13 31.30 0.20 K 2 HIS CD2 C 13 116.60 0.20 K 2 HIS CE1 C 13 139.10 0.20 K 2 HIS CG C 13 135.50 0.20 K 2 HIS N N 15 128.20 0.20 K 2 HIS ND1 N 15 210.50 0.20 K 2 HIS NE2 N 15 174.50 0.20 K 3 VAL C C 13 170.50 0.20 K 3 VAL CA C 13 58.50 0.20 K 3 VAL CB C 13 31.40 0.20 K 3 VAL CGx C 13 18.60 0.20 K 3 VAL CGy C 13 18.60 0.20 K 3 VAL N N 15 128.30 0.20 K 4 HIS C C 13 171.90 0.20 K 4 HIS CA C 13 52.80 0.20 K 4 HIS CB C 13 31.60 0.20 K 4 HIS CD2 C 13 116.80 0.20 K 4 HIS CE1 C 13 138.70 0.20 K 4 HIS CG C 13 135.20 0.20 K 4 HIS N N 15 130.40 0.20 K 4 HIS ND1 N 15 210.00 0.20 K 4 HIS NE2 N 15 207.00 0.20 K 5 LEU C C 13 171.60 0.20 K 5 LEU CA C 13 51.20 0.20 K 5 LEU CB C 13 43.50 0.20 K 5 LEU CDy C 13 24.50 0.20 K 5 LEU CDx C 13 23.70 0.20 K 5 LEU CG C 13 25.60 0.20 K 5 LEU N N 15 123.90 0.20 K 7 ILE C C 13 174.50 0.20 K 7 ILE CA C 13 57.60 0.20 K 7 ILE CB C 13 37.60 0.20 K 7 ILE CG1 C 13 25.30 0.20 K 7 ILE CG2 C 13 16.10 0.20 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe save_