data_nef_c18964_2m3i 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 2 CYS SG 1 8 CYS SG 1 3 CYS SG 1 15 CYS SG 1 15 CYS C 1 16 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 GLY start . false 2 A 2 CYS middle -HG . 3 A 3 CYS middle -HG . 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 PRO middle . false 7 A 7 VAL middle . . 8 A 8 CYS middle -HG . 9 A 9 SER middle . . 10 A 10 ALA middle . . 11 A 11 MET middle . . 12 A 12 SER middle . . 13 A 13 PRO middle . false 14 A 14 ILE middle . . 15 A 15 CYS middle -HG . 16 A 16 NH2 end . . 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 GLY HA2 H 1 3.979 0.000 A 1 GLY HA3 H 1 3.979 0.000 A 2 CYS H H 1 9.010 0.000 A 2 CYS HA H 1 4.661 0.000 A 2 CYS HB2 H 1 2.904 0.000 A 2 CYS HB3 H 1 3.334 0.000 A 3 CYS H H 1 8.555 0.000 A 3 CYS HA H 1 4.605 0.000 A 3 CYS HB2 H 1 2.887 0.000 A 3 CYS HB3 H 1 3.493 0.000 A 4 SER H H 1 7.895 0.000 A 4 SER HA H 1 4.506 0.001 A 4 SER HB2 H 1 3.933 0.001 A 4 SER HB3 H 1 3.933 0.001 A 5 HIS H H 1 8.208 0.001 A 5 HIS HA H 1 5.180 0.000 A 5 HIS HB2 H 1 3.456 0.000 A 5 HIS HB3 H 1 3.335 0.000 A 5 HIS HD2 H 1 7.415 0.000 A 6 PRO HA H 1 4.353 0.000 A 6 PRO HB2 H 1 2.420 0.000 A 6 PRO HB3 H 1 2.005 0.000 A 6 PRO HD2 H 1 3.693 0.000 A 6 PRO HD3 H 1 3.934 0.000 A 6 PRO HG2 H 1 2.099 0.000 A 6 PRO HG3 H 1 2.099 0.000 A 7 VAL H H 1 7.801 0.000 A 7 VAL HA H 1 3.967 0.000 A 7 VAL HB H 1 2.132 0.000 A 7 VAL HG1% H 1 0.956 0.000 A 7 VAL HG2% H 1 1.018 0.000 A 8 CYS H H 1 8.039 0.001 A 8 CYS HA H 1 4.297 0.000 A 8 CYS HB2 H 1 3.966 0.000 A 8 CYS HB3 H 1 3.765 0.001 A 9 SER H H 1 8.554 0.001 A 9 SER HA H 1 4.371 0.000 A 9 SER HB2 H 1 4.042 0.002 A 9 SER HB3 H 1 4.042 0.002 A 10 ALA H H 1 7.636 0.000 A 10 ALA HA H 1 4.261 0.000 A 10 ALA HB% H 1 1.519 0.001 A 11 MET H H 1 7.628 0.000 A 11 MET HA H 1 4.597 0.000 A 11 MET HB2 H 1 2.234 0.000 A 11 MET HB3 H 1 2.125 0.000 A 11 MET HG2 H 1 2.611 0.000 A 11 MET HG3 H 1 2.710 0.000 A 12 SER H H 1 7.577 0.000 A 12 SER HA H 1 5.066 0.000 A 12 SER HB2 H 1 3.881 0.000 A 12 SER HB3 H 1 4.004 0.000 A 13 PRO HA H 1 4.495 0.000 A 13 PRO HB2 H 1 2.419 0.000 A 13 PRO HB3 H 1 2.419 0.000 A 13 PRO HD2 H 1 3.960 0.000 A 13 PRO HD3 H 1 3.960 0.000 A 13 PRO HG2 H 1 2.011 0.000 A 13 PRO HG3 H 1 2.078 0.000 A 14 ILE H H 1 7.420 0.001 A 14 ILE HA H 1 4.186 0.000 A 14 ILE HB H 1 1.971 0.000 A 14 ILE HG12 H 1 1.473 0.000 A 14 ILE HG13 H 1 1.253 0.000 A 14 ILE HG2% H 1 0.951 0.000 A 15 CYS H H 1 7.782 0.000 A 15 CYS HA H 1 4.754 0.001 A 15 CYS HB2 H 1 3.405 0.001 A 15 CYS HB3 H 1 3.144 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 5 HIS H A 5 HIS HB3 1.0 1.8 3.14 2 2 A 5 HIS H A 5 HIS HB2 1.0 1.8 3.14 3 3 A 15 CYS H A 15 CYS HB3 1.0 1.8 3.30 4 4 A 15 CYS H A 15 CYS HB2 1.0 1.8 3.30 5 5 A 15 CYS H A 14 ILE HB 1.0 1.8 3.61 6 6 A 14 ILE HB A 14 ILE H 1.0 1.8 2.80 7 7 A 15 CYS H A 14 ILE HA 1.0 1.8 3.11 8 8 A 14 ILE H A 14 ILE HA 1.0 1.8 2.80 9 9 A 15 CYS H A 14 ILE H 1.0 1.8 2.74 10 10 A 12 SER H A 12 SER HB3 1.0 1.8 2.93 11 11 A 12 SER H A 12 SER HB2 1.0 1.8 2.93 12 12 A 14 ILE H A 13 PRO HA 1.0 1.8 3.33 13 13 A 14 ILE H A 12 SER HA 1.0 1.8 4.01 14 14 A 12 SER H A 11 MET HA 1.0 1.8 3.27 15 15 A 11 MET H A 11 MET HB2 1.0 1.8 3.73 16 16 A 11 MET H A 11 MET HB3 1.0 1.8 3.73 17 17 A 12 SER H A 11 MET HB3 1.0 1.8 4.20 18 18 A 12 SER H A 11 MET HB2 1.0 1.8 4.20 19 19 A 5 HIS H A 4 SER H 1.0 1.8 2.83 20 20 A 3 CYS H A 3 CYS HB3 1.0 1.8 3.52 21 21 A 3 CYS H A 3 CYS HB2 1.0 1.8 3.52 22 22 A 4 SER H A 3 CYS HB2 1.0 1.8 3.98 23 23 A 4 SER H A 3 CYS HB3 1.0 1.8 3.98 24 24 A 3 CYS H A 3 CYS HA 1.0 1.8 2.77 25 25 A 3 CYS H A 2 CYS HB3 1.0 1.8 3.45 26 26 A 3 CYS H A 2 CYS HB2 1.0 1.8 3.45 27 27 A 4 SER H A 4 SER HB2 1.0 1.8 4.15 28 27 A 4 SER H A 4 SER HB3 1.0 1.8 4.15 29 28 A 5 HIS H A 4 SER HB2 1.0 1.8 4.83 30 28 A 5 HIS H A 4 SER HB3 1.0 1.8 4.83 31 29 A 5 HIS H A 4 SER HA 1.0 1.8 3.48 32 30 A 7 VAL H A 7 VAL HB 1.0 1.8 3.67 33 31 A 9 SER HA A 10 ALA H 1.0 1.8 3.52 34 32 A 9 SER HA A 9 SER H 1.0 1.8 2.71 35 33 A 9 SER H A 9 SER HB2 1.0 1.8 3.87 36 33 A 9 SER H A 9 SER HB3 1.0 1.8 3.87 37 34 A 10 ALA H A 9 SER H 1.0 1.8 3.02 38 35 A 12 SER H A 9 SER HA 1.0 1.8 3.83 39 36 A 12 SER H A 10 ALA HA 1.0 1.8 4.45 40 37 A 5 HIS H A 9 SER HA 1.0 1.8 4.72 41 38 A 9 SER H A 8 CYS H 1.0 1.8 2.49 42 39 A 8 CYS H A 8 CYS HB2 1.0 1.8 4.01 43 40 A 8 CYS H A 8 CYS HB3 1.0 1.8 4.01 44 41 A 15 CYS H A 13 PRO HA 1.0 1.8 3.89 45 42 A 2 CYS H A 2 CYS HB2 1.0 1.8 3.27 46 43 A 2 CYS H A 2 CYS HB3 1.0 1.8 3.27 47 44 A 3 CYS H A 2 CYS H 1.0 1.8 3.58 48 45 A 15 CYS H A 14 ILE HG13 1.0 1.8 5.50 49 46 A 15 CYS H A 14 ILE HG12 1.0 1.8 5.50 50 47 A 5 HIS HA A 5 HIS HD2 1.0 1.8 5.13 51 48 A 14 ILE H A 13 PRO HD2 1.0 1.8 4.99 52 48 A 14 ILE H A 13 PRO HD3 1.0 1.8 4.99 53 49 A 11 MET H A 11 MET HG3 1.0 1.8 4.91 54 50 A 11 MET H A 11 MET HG2 1.0 1.8 4.91 55 51 A 3 CYS HA A 9 SER HB2 1.0 1.8 5.39 56 51 A 3 CYS HA A 9 SER HB3 1.0 1.8 5.39 57 52 A 15 CYS H A 14 ILE HG2% 1.0 1.8 5.84 58 53 A 14 ILE H A 14 ILE HG2% 1.0 1.8 4.60 59 54 A 7 VAL HA A 10 ALA HB% 1.0 1.8 5.25 60 55 A 10 ALA H A 10 ALA HB% 1.0 1.8 4.16 61 56 A 9 SER H A 10 ALA HB% 1.0 1.8 6.52 62 57 A 2 CYS H A 2 CYS HB3 1.0 1.8 2.77 63 57 A 2 CYS H A 2 CYS HB2 1.0 1.8 2.77 64 58 A 4 SER H A 2 CYS HB3 1.0 1.8 4.15 65 58 A 4 SER H A 2 CYS HB2 1.0 1.8 4.15 66 59 A 2 CYS HB2 A 8 CYS HB3 1.0 1.8 2.49 67 59 A 2 CYS HB3 A 8 CYS HB3 1.0 1.8 2.49 68 59 A 8 CYS HB2 A 2 CYS HB3 1.0 1.8 2.49 69 59 A 2 CYS HB2 A 8 CYS HB2 1.0 1.8 2.49 70 60 A 3 CYS H A 3 CYS HB3 1.0 1.8 2.81 71 60 A 3 CYS H A 3 CYS HB2 1.0 1.8 2.81 72 61 A 4 SER H A 3 CYS HB3 1.0 1.8 3.44 73 61 A 4 SER H A 3 CYS HB2 1.0 1.8 3.44 74 62 A 5 HIS H A 5 HIS HB3 1.0 1.8 2.67 75 62 A 5 HIS H A 5 HIS HB2 1.0 1.8 2.67 76 63 A 5 HIS HA A 6 PRO HD2 1.0 1.8 2.62 77 63 A 5 HIS HA A 6 PRO HD3 1.0 1.8 2.62 78 64 A 5 HIS HD2 A 5 HIS HB3 1.0 1.8 3.23 79 64 A 5 HIS HD2 A 5 HIS HB2 1.0 1.8 3.23 80 65 A 5 HIS HB2 A 6 PRO HD2 1.0 1.8 3.61 81 65 A 6 PRO HD3 A 5 HIS HB3 1.0 1.8 3.61 82 65 A 5 HIS HB2 A 6 PRO HD3 1.0 1.8 3.61 83 65 A 5 HIS HB3 A 6 PRO HD2 1.0 1.8 3.61 84 66 A 8 CYS H A 8 CYS HB3 1.0 1.8 3.38 85 66 A 8 CYS H A 8 CYS HB2 1.0 1.8 3.38 86 67 A 9 SER H A 8 CYS HB3 1.0 1.8 2.96 87 67 A 9 SER H A 8 CYS HB2 1.0 1.8 2.96 88 68 A 9 SER HA A 15 CYS HB3 1.0 1.8 4.36 89 68 A 9 SER HA A 15 CYS HB2 1.0 1.8 4.36 90 69 A 10 ALA HA A 13 PRO HG2 1.0 1.8 4.41 91 69 A 10 ALA HA A 13 PRO HG3 1.0 1.8 4.41 92 70 A 11 MET H A 11 MET HB2 1.0 1.8 2.92 93 70 A 11 MET H A 11 MET HB3 1.0 1.8 2.92 94 71 A 11 MET H A 11 MET HG3 1.0 1.8 4.25 95 71 A 11 MET H A 11 MET HG2 1.0 1.8 4.25 96 72 A 12 SER H A 11 MET HB2 1.0 1.8 3.60 97 72 A 12 SER H A 11 MET HB3 1.0 1.8 3.60 98 73 A 12 SER HA A 12 SER HB3 1.0 1.8 2.38 99 73 A 12 SER HA A 12 SER HB2 1.0 1.8 2.38 100 74 A 14 ILE H A 12 SER HB3 1.0 1.8 3.70 101 74 A 14 ILE H A 12 SER HB2 1.0 1.8 3.70 102 75 A 15 CYS H A 12 SER HB3 1.0 1.8 3.62 103 75 A 15 CYS H A 12 SER HB2 1.0 1.8 3.62 104 76 A 14 ILE H A 13 PRO HG2 1.0 1.8 3.31 105 76 A 14 ILE H A 13 PRO HG3 1.0 1.8 3.31 106 77 A 14 ILE H A 14 ILE HG13 1.0 1.8 3.24 107 77 A 14 ILE H A 14 ILE HG12 1.0 1.8 3.24 108 78 A 15 CYS H A 15 CYS HB3 1.0 1.8 2.57 109 78 A 15 CYS H A 15 CYS HB2 1.0 1.8 2.57 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 3 CYS C A 4 SER N A 4 SER CA A 4 SER C 1.0 -160.0 -80.0 PHI 2 2 A 6 PRO C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -90.0 -30.0 PHI 3 3 A 8 CYS C A 9 SER N A 9 SER CA A 9 SER C 1.0 -90.0 -30.0 PHI 4 4 A 11 MET C A 12 SER N A 12 SER CA A 12 SER C 1.0 -160.0 -80.0 PHI 5 5 A 14 ILE C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -180.0 -20.0 PHI stop_ save_