data_nef_c19932_2moa 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 1CNL PDB 1E74 PDB 1G2G PDB 1IM1 PDB 1IMI PDB 2BC7 PDB 2C9T PDB 2MOA PDB 4OS1 PDB 4OS2 PDB 4OS4 PDB 4OS5 PDB 4OS6 PDB 4OS7 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 GLY C 1 2 81S N 1 2 81S C 1 3 ALA N 1 12 CYS C 1 13 NH2 N 1 2 81S SE 1 8 CYS SG 1 2 81S SD2 1 12 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 GLY start . false 2 A 2 81S middle . . 3 A 3 ALA middle . . 4 A 4 SER middle . . 5 A 5 ASP middle . . 6 A 6 PRO middle . false 7 A 7 ARG middle . . 8 A 8 CYS middle -HG . 9 A 9 ALA middle . . 10 A 10 TRP middle . . 11 A 11 ARG middle . . 12 A 12 CYS middle -HG . 13 A 13 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 2 81S H4 H 1 4.116 0.004 A 2 81S H5 H 1 2.131 0.005 A 2 81S H6 H 1 1.947 0.003 A 2 81S H7 H 1 2.861 0.002 A 2 81S H8 H 1 2.980 0.002 A 2 81S H9 H 1 2.399 0.001 A 3 ALA H H 1 8.474 0.000 A 3 ALA HA H 1 3.798 0.001 A 3 ALA HB% H 1 1.125 0.001 A 4 SER H H 1 7.502 0.003 A 4 SER HA H 1 4.202 0.002 A 4 SER HB2 H 1 3.718 0.000 A 4 SER HB3 H 1 3.571 0.008 A 5 ASP H H 1 7.282 0.001 A 5 ASP HA H 1 4.662 0.000 A 5 ASP HB2 H 1 2.842 0.012 A 5 ASP HB3 H 1 2.391 0.002 A 6 PRO HA H 1 4.122 0.006 A 6 PRO HB2 H 1 2.124 0.003 A 6 PRO HB3 H 1 1.735 0.004 A 6 PRO HD2 H 1 3.794 0.002 A 6 PRO HD3 H 1 3.736 0.004 A 6 PRO HG2 H 1 1.781 0.016 A 6 PRO HG3 H 1 1.781 0.016 A 7 ARG H H 1 8.158 0.001 A 7 ARG HA H 1 3.967 0.005 A 7 ARG HB2 H 1 1.662 0.002 A 7 ARG HB3 H 1 1.526 0.002 A 7 ARG HD2 H 1 2.964 0.000 A 7 ARG HD3 H 1 2.910 0.002 A 7 ARG HE H 1 7.338 0.001 A 7 ARG HG2 H 1 1.393 0.001 A 7 ARG HG3 H 1 1.393 0.001 A 8 CYS H H 1 7.513 0.003 A 8 CYS HA H 1 4.103 0.009 A 8 CYS HB2 H 1 2.972 0.007 A 8 CYS HB3 H 1 2.851 0.009 A 9 ALA H H 1 7.805 0.001 A 9 ALA HA H 1 3.848 0.004 A 9 ALA HB% H 1 1.025 0.002 A 10 TRP H H 1 7.454 0.000 A 10 TRP HA H 1 4.421 0.001 A 10 TRP HB2 H 1 3.115 0.002 A 10 TRP HB3 H 1 3.045 0.003 A 10 TRP HD1 H 1 7.014 0.001 A 10 TRP HE1 H 1 9.969 0.000 A 10 TRP HE3 H 1 7.279 0.004 A 10 TRP HH2 H 1 6.950 0.002 A 10 TRP HZ2 H 1 7.223 0.000 A 10 TRP HZ3 H 1 6.880 0.002 A 11 ARG H H 1 7.694 0.003 A 11 ARG HA H 1 3.898 0.001 A 11 ARG HB2 H 1 1.245 0.005 A 11 ARG HB3 H 1 1.245 0.005 A 11 ARG HD2 H 1 2.759 0.002 A 11 ARG HD3 H 1 2.759 0.002 A 11 ARG HE H 1 6.914 0.002 A 11 ARG HG2 H 1 1.001 0.005 A 11 ARG HG3 H 1 0.891 0.001 A 12 CYS H H 1 7.855 0.003 A 12 CYS HA H 1 4.210 0.002 A 12 CYS HB2 H 1 2.796 0.001 A 12 CYS HB3 H 1 2.493 0.002 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 4 SER HB3 A 4 SER HB2 1.0 1.8 2.7 2 2 A 5 ASP HB3 A 5 ASP HB2 1.0 1.8 2.7 3 3 A 6 PRO HB3 A 6 PRO HB2 1.0 1.8 2.7 4 4 A 6 PRO HB3 A 6 PRO HG2 1.0 1.8 2.7 5 4 A 6 PRO HB3 A 6 PRO HG3 1.0 1.8 2.7 6 5 A 6 PRO HB2 A 6 PRO HG2 1.0 1.8 2.7 7 5 A 6 PRO HB2 A 6 PRO HG3 1.0 1.8 2.7 8 6 A 7 ARG HB3 A 7 ARG HB2 1.0 1.8 2.7 9 7 A 10 TRP HH2 A 10 TRP HZ2 1.0 1.8 2.7 10 8 A 10 TRP HH2 A 10 TRP HZ3 1.0 1.8 2.7 11 9 A 12 CYS HB3 A 12 CYS HB2 1.0 1.8 2.7 12 10 A 3 ALA HA A 3 ALA H 1.0 1.8 3.5 13 11 A 3 ALA HA A 4 SER H 1.0 1.8 3.5 14 12 A 3 ALA HA A 3 ALA H 1.0 1.8 3.5 15 13 A 3 ALA HA A 4 SER H 1.0 1.8 3.5 16 14 A 4 SER HB2 A 4 SER HA 1.0 1.8 3.5 17 15 A 4 SER H A 4 SER HA 1.0 1.8 3.5 18 16 A 4 SER HA A 5 ASP H 1.0 1.8 3.5 19 17 A 4 SER HB3 A 4 SER H 1.0 1.8 3.5 20 18 A 4 SER HB2 A 4 SER H 1.0 1.8 3.5 21 19 A 5 ASP HB3 A 5 ASP H 1.0 1.8 3.5 22 20 A 5 ASP HB2 A 5 ASP H 1.0 1.8 3.5 23 21 A 4 SER H A 5 ASP H 1.0 1.8 3.5 24 22 A 6 PRO HB3 A 6 PRO HA 1.0 1.8 3.5 25 23 A 6 PRO HB3 A 6 PRO HD3 1.0 1.8 3.5 26 24 A 6 PRO HB3 A 6 PRO HD2 1.0 1.8 3.5 27 25 A 6 PRO HB3 A 7 ARG H 1.0 1.8 3.5 28 26 A 6 PRO HD3 A 7 ARG H 1.0 1.8 3.5 29 27 A 6 PRO HD3 A 6 PRO HG2 1.0 1.8 3.5 30 27 A 6 PRO HG3 A 6 PRO HD3 1.0 1.8 3.5 31 28 A 6 PRO HD2 A 6 PRO HG2 1.0 1.8 3.5 32 28 A 6 PRO HG3 A 6 PRO HD2 1.0 1.8 3.5 33 29 A 7 ARG H A 7 ARG HA 1.0 1.8 3.5 34 30 A 7 ARG HB3 A 7 ARG HD3 1.0 1.8 3.5 35 31 A 7 ARG HB3 A 7 ARG HD2 1.0 1.8 3.5 36 32 A 7 ARG HB3 A 7 ARG HE 1.0 1.8 3.5 37 33 A 7 ARG HB3 A 7 ARG H 1.0 1.8 3.5 38 34 A 7 ARG HB2 A 7 ARG HA 1.0 1.8 3.5 39 35 A 7 ARG HB2 A 7 ARG HD3 1.0 1.8 3.5 40 36 A 7 ARG HB2 A 7 ARG HD2 1.0 1.8 3.5 41 37 A 7 ARG HB2 A 7 ARG H 1.0 1.8 3.5 42 38 A 8 CYS HA A 8 CYS H 1.0 1.8 3.5 43 39 A 8 CYS HA A 9 ALA H 1.0 1.8 3.5 44 40 A 8 CYS HA A 8 CYS HB3 1.0 1.8 3.5 45 41 A 8 CYS H A 8 CYS HB3 1.0 1.8 3.5 46 42 A 8 CYS HA A 8 CYS HB2 1.0 1.8 3.5 47 43 A 8 CYS H A 8 CYS HB2 1.0 1.8 3.5 48 44 A 7 ARG H A 8 CYS H 1.0 1.8 3.5 49 45 A 8 CYS H A 9 ALA H 1.0 1.8 3.5 50 46 A 9 ALA H A 9 ALA HA 1.0 1.8 3.5 51 47 A 9 ALA HA A 12 CYS H 1.0 1.8 3.5 52 48 A 10 TRP HA A 10 TRP H 1.0 1.8 3.5 53 49 A 10 TRP HB3 A 10 TRP HD1 1.0 1.8 3.5 54 50 A 10 TRP HB3 A 10 TRP HE3 1.0 1.8 3.5 55 51 A 10 TRP H A 10 TRP HB3 1.0 1.8 3.5 56 52 A 10 TRP HD1 A 10 TRP HB2 1.0 1.8 3.5 57 53 A 10 TRP HE3 A 10 TRP HB2 1.0 1.8 3.5 58 54 A 10 TRP HD1 A 10 TRP HE1 1.0 1.8 3.5 59 55 A 10 TRP HZ3 A 10 TRP HE3 1.0 1.8 3.5 60 56 A 9 ALA H A 10 TRP H 1.0 1.8 3.5 61 57 A 10 TRP H A 11 ARG H 1.0 1.8 3.5 62 58 A 10 TRP HZ2 A 10 TRP HE1 1.0 1.8 3.5 63 59 A 12 CYS H A 11 ARG HA 1.0 1.8 3.5 64 60 A 11 ARG HA A 11 ARG HB2 1.0 1.8 3.5 65 60 A 11 ARG HA A 11 ARG HB3 1.0 1.8 3.5 66 61 A 11 ARG HB3 A 11 ARG HD2 1.0 1.8 3.5 67 61 A 11 ARG HD3 A 11 ARG HB2 1.0 1.8 3.5 68 61 A 11 ARG HB3 A 11 ARG HD3 1.0 1.8 3.5 69 61 A 11 ARG HB2 A 11 ARG HD2 1.0 1.8 3.5 70 62 A 11 ARG H A 11 ARG HB2 1.0 1.8 3.5 71 62 A 11 ARG H A 11 ARG HB3 1.0 1.8 3.5 72 63 A 11 ARG HE A 11 ARG HD2 1.0 1.8 3.5 73 63 A 11 ARG HD3 A 11 ARG HE 1.0 1.8 3.5 74 64 A 11 ARG HG3 A 11 ARG HB2 1.0 1.8 3.5 75 64 A 11 ARG HB3 A 11 ARG HG3 1.0 1.8 3.5 76 65 A 11 ARG HG3 A 11 ARG HD2 1.0 1.8 3.5 77 65 A 11 ARG HD3 A 11 ARG HG3 1.0 1.8 3.5 78 66 A 11 ARG HG2 A 11 ARG HB2 1.0 1.8 3.5 79 66 A 11 ARG HB3 A 11 ARG HG2 1.0 1.8 3.5 80 67 A 11 ARG HG2 A 11 ARG HD2 1.0 1.8 3.5 81 67 A 11 ARG HD3 A 11 ARG HG2 1.0 1.8 3.5 82 68 A 12 CYS H A 11 ARG H 1.0 1.8 3.5 83 69 A 12 CYS HB3 A 12 CYS H 1.0 1.8 3.5 84 70 A 12 CYS HB2 A 12 CYS H 1.0 1.8 3.5 85 71 A 3 ALA HA A 5 ASP H 1.0 1.8 5.5 86 72 A 4 SER HB3 A 3 ALA H 1.0 1.8 5.5 87 73 A 4 SER HB3 A 4 SER HA 1.0 1.8 5.5 88 74 A 4 SER HB3 A 5 ASP H 1.0 1.8 5.5 89 75 A 3 ALA H A 4 SER H 1.0 1.8 5.5 90 76 A 5 ASP H A 5 ASP HA 1.0 1.8 5.5 91 77 A 5 ASP HB3 A 4 SER H 1.0 1.8 5.5 92 78 A 5 ASP HB3 A 6 PRO HD3 1.0 1.8 5.5 93 79 A 5 ASP HB3 A 6 PRO HD2 1.0 1.8 5.5 94 80 A 5 ASP HB2 A 3 ALA H 1.0 1.8 5.5 95 81 A 5 ASP H A 6 PRO HA 1.0 1.8 5.5 96 82 A 6 PRO HA A 7 ARG H 1.0 1.8 5.5 97 83 A 6 PRO HB2 A 6 PRO HA 1.0 1.8 5.5 98 84 A 6 PRO HB2 A 6 PRO HD3 1.0 1.8 5.5 99 85 A 6 PRO HB2 A 6 PRO HD2 1.0 1.8 5.5 100 86 A 5 ASP H A 6 PRO HD3 1.0 1.8 5.5 101 87 A 5 ASP H A 6 PRO HD2 1.0 1.8 5.5 102 88 A 6 PRO HD2 A 7 ARG H 1.0 1.8 5.5 103 89 A 6 PRO HA A 6 PRO HG2 1.0 1.8 5.5 104 89 A 6 PRO HG3 A 6 PRO HA 1.0 1.8 5.5 105 90 A 7 ARG HA A 8 CYS H 1.0 1.8 5.5 106 91 A 7 ARG HB3 A 7 ARG HA 1.0 1.8 5.5 107 92 A 7 ARG HB3 A 8 CYS H 1.0 1.8 5.5 108 93 A 7 ARG HB2 A 7 ARG HE 1.0 1.8 5.5 109 94 A 7 ARG HB2 A 8 CYS H 1.0 1.8 5.5 110 95 A 7 ARG HD3 A 7 ARG HE 1.0 1.8 5.5 111 96 A 7 ARG H A 7 ARG HD3 1.0 1.8 5.5 112 97 A 7 ARG HD2 A 7 ARG HE 1.0 1.8 5.5 113 98 A 7 ARG H A 7 ARG HD2 1.0 1.8 5.5 114 99 A 7 ARG H A 7 ARG HE 1.0 1.8 5.5 115 100 A 8 CYS HA A 10 TRP HD1 1.0 1.8 5.5 116 101 A 7 ARG H A 8 CYS HB3 1.0 1.8 5.5 117 102 A 8 CYS HB3 A 9 ALA HA 1.0 1.8 5.5 118 103 A 8 CYS HA A 12 CYS H 1.0 1.8 5.5 119 104 A 9 ALA H A 9 ALA HA 1.0 1.8 5.5 120 105 A 9 ALA HA A 10 TRP H 1.0 1.8 5.5 121 106 A 9 ALA HA A 12 CYS H 1.0 1.8 5.5 122 107 A 5 ASP H A 9 ALA HA 1.0 1.8 5.5 123 108 A 6 PRO HA A 9 ALA HA 1.0 1.8 5.5 124 109 A 6 PRO HD2 A 9 ALA HA 1.0 1.8 5.5 125 110 A 9 ALA HA A 10 TRP HD1 1.0 1.8 5.5 126 111 A 9 ALA HA A 10 TRP H 1.0 1.8 5.5 127 112 A 10 TRP HA A 10 TRP HD1 1.0 1.8 5.5 128 113 A 10 TRP HA A 10 TRP HE3 1.0 1.8 5.5 129 114 A 10 TRP HA A 11 ARG H 1.0 1.8 5.5 130 115 A 10 TRP HB3 A 11 ARG H 1.0 1.8 5.5 131 116 A 10 TRP H A 10 TRP HB2 1.0 1.8 5.5 132 117 A 10 TRP HB2 A 11 ARG H 1.0 1.8 5.5 133 118 A 10 TRP H A 10 TRP HD1 1.0 1.8 5.5 134 119 A 12 CYS H A 10 TRP HE3 1.0 1.8 5.5 135 120 A 10 TRP HZ2 A 10 TRP HZ3 1.0 1.8 5.5 136 121 A 10 TRP HE3 A 11 ARG HA 1.0 1.8 5.5 137 122 A 11 ARG H A 11 ARG HA 1.0 1.8 5.5 138 123 A 10 TRP HE3 A 11 ARG HB2 1.0 1.8 5.5 139 123 A 10 TRP HE3 A 11 ARG HB3 1.0 1.8 5.5 140 124 A 11 ARG HE A 11 ARG HB2 1.0 1.8 5.5 141 124 A 11 ARG HB3 A 11 ARG HE 1.0 1.8 5.5 142 125 A 12 CYS H A 11 ARG HB2 1.0 1.8 5.5 143 125 A 12 CYS H A 11 ARG HB3 1.0 1.8 5.5 144 126 A 11 ARG HA A 11 ARG HD2 1.0 1.8 5.5 145 126 A 11 ARG HA A 11 ARG HD3 1.0 1.8 5.5 146 127 A 11 ARG HA A 11 ARG HG3 1.0 1.8 5.5 147 128 A 11 ARG HE A 11 ARG HG3 1.0 1.8 5.5 148 129 A 11 ARG HA A 11 ARG HG2 1.0 1.8 5.5 149 130 A 11 ARG HE A 11 ARG HG2 1.0 1.8 5.5 150 131 A 12 CYS H A 12 CYS HA 1.0 1.8 5.5 151 132 A 3 ALA HA A 12 CYS HB3 1.0 1.8 5.5 152 133 A 12 CYS HB3 A 12 CYS HA 1.0 1.8 5.5 153 134 A 12 CYS HB2 A 12 CYS HA 1.0 1.8 5.5 stop_ save_