data_nef_c19595_2mgo 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 2MGO 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 CYS SG 1 6 CYS SG 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 CYS start -HG . 2 A 2 TYR middle . . 3 A 3 ILE middle . . 4 A 4 GLN middle . . 5 A 5 ASN middle . . 6 A 6 CYS middle -HG . 7 A 7 PRO middle . false 8 A 8 LEU middle . . 9 A 9 GLY end . false 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 1 CYS HA H 1 4.269 0.003 A 1 CYS HBy H 1 3.456 0.006 A 1 CYS HBx H 1 3.297 0.005 A 1 CYS CA C 13 55.013 0.000 A 1 CYS CB C 13 42.319 0.000 A 2 TYR H H 1 8.991 0.002 A 2 TYR HA H 1 4.776 0.002 A 2 TYR HBx H 1 3.012 0.006 A 2 TYR HBy H 1 3.162 0.005 A 2 TYR HDx H 1 7.209 0.002 A 2 TYR HDy H 1 7.209 0.002 A 2 TYR HEx H 1 6.872 0.001 A 2 TYR HEy H 1 6.872 0.001 A 2 TYR CB C 13 38.843 0.005 A 3 ILE H H 1 7.960 0.001 A 3 ILE HA H 1 4.041 0.006 A 3 ILE HB H 1 1.918 0.004 A 3 ILE HD1% H 1 0.851 0.004 A 3 ILE HG1x H 1 1.105 0.109 A 3 ILE HG1y H 1 1.145 0.100 A 3 ILE HG2% H 1 0.872 0.004 A 3 ILE CA C 13 62.672 0.000 A 3 ILE CB C 13 38.706 0.000 A 3 ILE CD1 C 13 13.315 0.000 A 3 ILE CG1 C 13 27.261 0.019 A 3 ILE CG2 C 13 17.596 0.000 A 4 GLN H H 1 8.229 0.001 A 4 GLN HA H 1 4.110 0.002 A 4 GLN HBx H 1 2.070 0.008 A 4 GLN HBy H 1 2.070 0.008 A 4 GLN HE2x H 1 6.864 0.002 A 4 GLN HE2y H 1 7.556 0.001 A 4 GLN HGx H 1 2.403 0.005 A 4 GLN HGy H 1 2.403 0.005 A 4 GLN CA C 13 57.854 0.000 A 4 GLN CB C 13 28.542 0.019 A 4 GLN CG C 13 33.785 0.015 A 5 ASN H H 1 8.339 0.005 A 5 ASN HA H 1 4.728 0.003 A 5 ASN HBx H 1 2.852 0.004 A 5 ASN HBy H 1 2.852 0.004 A 5 ASN HD2x H 1 6.929 0.002 A 5 ASN HD2y H 1 7.608 0.001 A 5 ASN CA C 13 53.112 0.021 A 5 ASN CB C 13 38.460 0.000 A 6 CYS H H 1 8.218 0.002 A 6 CYS HA H 1 4.870 0.004 A 6 CYS HBx H 1 2.972 0.004 A 6 CYS HBy H 1 3.220 0.009 A 6 CYS CA C 13 54.068 0.000 A 6 CYS CB C 13 40.983 0.008 A 7 PRO HA H 1 4.443 0.002 A 7 PRO HBy H 1 2.292 0.005 A 7 PRO HBx H 1 1.935 0.005 A 7 PRO HDx H 1 3.716 0.012 A 7 PRO HDy H 1 3.738 0.013 A 7 PRO HGx H 1 2.030 0.004 A 7 PRO HGy H 1 2.030 0.004 A 7 PRO CA C 13 63.324 0.000 A 7 PRO CB C 13 32.010 0.005 A 7 PRO CD C 13 50.654 0.020 A 7 PRO CG C 13 27.370 0.011 A 8 LEU H H 1 8.488 0.002 A 8 LEU HA H 1 4.303 0.003 A 8 LEU HBx H 1 1.622 0.017 A 8 LEU HBy H 1 1.673 0.007 A 8 LEU HDx% H 1 0.937 0.010 A 8 LEU HDy% H 1 0.896 0.010 A 8 LEU CA C 13 55.409 0.000 A 8 LEU CB C 13 42.037 0.007 A 8 LEU CDy C 13 24.851 0.000 A 8 LEU CDx C 13 23.417 0.000 A 9 GLY H H 1 8.394 0.003 A 9 GLY HAx H 1 3.910 0.007 A 9 GLY HAy H 1 3.910 0.007 A 9 GLY CA C 13 44.856 0.000 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 _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 2 TYR H A 2 TYR HBx 1.0 1.8 3.67 2 2 A 2 TYR H A 2 TYR HBy 1.0 1.8 3.67 3 3 A 3 ILE H A 3 ILE HB 1.0 1.8 3.61 4 4 A 2 TYR H A 1 CYS HA 1.0 1.8 2.80 5 5 A 2 TYR H A 1 CYS HBy 1.0 1.8 4.07 6 6 A 2 TYR H A 1 CYS HBx 1.0 1.8 4.07 7 7 A 3 ILE H A 2 TYR HA 1.0 1.8 3.11 8 8 A 3 ILE HA A 4 GLN H 1.0 1.8 3.05 9 9 A 3 ILE HB A 4 GLN H 1.0 1.8 2.96 10 10 A 4 GLN HA A 5 ASN H 1.0 1.8 3.05 11 11 A 5 ASN H A 4 GLN HBx 1.0 1.8 5.14 12 11 A 5 ASN H A 4 GLN HBy 1.0 1.8 5.14 13 12 A 6 CYS H A 5 ASN HBx 1.0 1.8 5.92 14 12 A 5 ASN HBy A 6 CYS H 1.0 1.8 5.92 15 13 A 6 CYS H A 5 ASN HA 1.0 1.8 2.99 16 14 A 7 PRO HA A 8 LEU H 1.0 1.8 2.65 17 15 A 8 LEU HA A 9 GLY H 1.0 1.8 2.93 18 16 A 9 GLY H A 8 LEU HBx 1.0 1.8 3.95 19 17 A 2 TYR H A 3 ILE H 1.0 1.8 3.83 20 18 A 3 ILE H A 4 GLN H 1.0 1.8 4.17 21 19 A 4 GLN H A 5 ASN H 1.0 1.8 2.87 22 20 A 5 ASN H A 6 CYS H 1.0 1.8 2.83 23 21 A 8 LEU H A 9 GLY H 1.0 1.8 2.99 24 22 A 9 GLY H A 8 LEU HBy 1.0 1.8 3.95 25 23 A 4 GLN H A 4 GLN HGx 1.0 1.8 6.01 26 23 A 4 GLN H A 4 GLN HGy 1.0 1.8 6.01 27 24 A 3 ILE H A 3 ILE HG1x 1.0 1.8 5.38 28 25 A 3 ILE H A 3 ILE HG1y 1.0 1.8 5.38 29 26 A 5 ASN H A 4 GLN HGx 1.0 1.8 6.38 30 26 A 5 ASN H A 4 GLN HGy 1.0 1.8 6.38 31 27 A 2 TYR HA A 2 TYR HD% 1.0 1.8 6.17 32 28 A 2 TYR HE% A 4 GLN HBx 1.0 1.8 8.51 33 28 A 4 GLN HBy A 2 TYR HE% 1.0 1.8 8.51 34 29 A 2 TYR H A 2 TYR HD% 1.0 1.8 7.63 35 30 A 6 CYS HA A 7 PRO HDx 1.0 1.8 3.30 36 31 A 6 CYS HA A 7 PRO HDy 1.0 1.8 3.30 37 32 A 3 ILE H A 3 ILE HG2% 1.0 1.8 6.27 38 33 A 4 GLN H A 3 ILE HG2% 1.0 1.8 5.53 39 34 A 6 CYS HA A 1 CYS HBy 1.0 1.8 5.10 40 35 A 6 CYS HA A 1 CYS HBx 1.0 1.8 5.10 41 36 A 8 LEU HA A 8 LEU HDx% 1.0 1.8 5.59 42 37 A 8 LEU HA A 8 LEU HDy% 1.0 1.8 5.59 43 38 A 3 ILE HA A 3 ILE HD1% 1.0 1.8 5.47 44 39 A 2 TYR H A 1 CYS HBx 1.0 1.8 3.34 45 39 A 2 TYR H A 1 CYS HBy 1.0 1.8 3.34 46 40 A 6 CYS HA A 1 CYS HBx 1.0 1.8 4.26 47 40 A 6 CYS HA A 1 CYS HBy 1.0 1.8 4.26 48 41 A 2 TYR H A 2 TYR HBy 1.0 1.8 3.15 49 41 A 2 TYR H A 2 TYR HBx 1.0 1.8 3.15 50 42 A 3 ILE H A 2 TYR HBy 1.0 1.8 4.12 51 42 A 3 ILE H A 2 TYR HBx 1.0 1.8 4.12 52 43 A 3 ILE H A 3 ILE HG1y 1.0 1.8 4.67 53 43 A 3 ILE H A 3 ILE HG1x 1.0 1.8 4.67 54 44 A 4 GLN H A 3 ILE HG1y 1.0 1.8 5.34 55 44 A 4 GLN H A 3 ILE HG1x 1.0 1.8 5.34 56 45 A 5 ASN H A 3 ILE HG1y 1.0 1.8 5.34 57 45 A 5 ASN H A 3 ILE HG1x 1.0 1.8 5.34 58 46 A 6 CYS H A 6 CYS HBx 1.0 1.8 3.04 59 46 A 6 CYS H A 6 CYS HBy 1.0 1.8 3.04 60 47 A 6 CYS HBy A 7 PRO HDx 1.0 1.8 4.18 61 47 A 6 CYS HBx A 7 PRO HDx 1.0 1.8 4.18 62 47 A 7 PRO HDy A 6 CYS HBx 1.0 1.8 4.18 63 47 A 6 CYS HBy A 7 PRO HDy 1.0 1.8 4.18 64 48 A 8 LEU H A 8 LEU HBx 1.0 1.8 2.96 65 48 A 8 LEU H A 8 LEU HBy 1.0 1.8 2.96 66 49 A 8 LEU HA A 8 LEU HDy% 1.0 1.8 4.05 67 49 A 8 LEU HA A 8 LEU HDx% 1.0 1.8 4.05 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 1 CYS C A 2 TYR N A 2 TYR CA A 2 TYR C 1.0 -180.0 -20.0 PHI 2 2 A 2 TYR C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -180.0 -20.0 PHI 3 3 A 3 ILE C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -180.0 -20.0 PHI 4 4 A 4 GLN C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -180.0 -20.0 PHI 5 5 A 5 ASN C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -180.0 -20.0 PHI 6 6 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 PRO N 1.0 60.0 180.0 PSI 7 7 A 7 PRO C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -180.0 -20.0 PHI 8 8 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 -210.0 -30.0 CHI1 stop_ save_