data_nef_c34017_5lfh 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 5LFH 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 4 DCY SG 1 8 CYS SG 1 1 ACE C 1 2 ARG N 1 3 ALA C 1 4 DCY N 1 4 DCY C 1 5 ARG 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 ACE start . . 2 A 2 ARG middle -H2 . 3 A 3 ALA middle -OXT . 4 A 4 DCY middle -H2,-OXT . 5 A 5 ARG middle -H2 . 6 A 6 PHE middle . . 7 A 7 PHE middle . . 8 A 8 CYS end -HG . 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 ACE H% H 1 2.115 0.000 A 2 ARG H H 1 8.140 0.000 A 2 ARG HA H 1 4.218 0.000 A 2 ARG HBx H 1 1.838 0.002 A 2 ARG HBy H 1 1.966 0.000 A 2 ARG HDx H 1 3.254 0.001 A 2 ARG HDy H 1 3.254 0.001 A 2 ARG HE H 1 7.139 0.000 A 2 ARG HGx H 1 1.739 0.000 A 2 ARG HGy H 1 1.739 0.000 A 3 ALA H H 1 8.449 0.000 A 3 ALA HA H 1 4.270 0.001 A 3 ALA HB% H 1 1.455 0.000 A 4 DCY H H 1 7.946 0.000 A 4 DCY HA H 1 4.408 0.001 A 4 DCY HBy H 1 3.270 0.001 A 4 DCY HBx H 1 3.170 0.000 A 5 ARG H H 1 8.130 0.000 A 5 ARG HA H 1 4.020 0.000 A 5 ARG HBx H 1 1.208 0.000 A 5 ARG HBy H 1 1.468 0.000 A 5 ARG HDx H 1 2.929 0.000 A 5 ARG HDy H 1 2.929 0.000 A 5 ARG HE H 1 6.968 0.000 A 5 ARG HGx H 1 1.054 0.000 A 5 ARG HGy H 1 1.054 0.000 A 6 PHE H H 1 7.987 0.000 A 6 PHE HA H 1 4.534 0.000 A 6 PHE HBx H 1 2.651 0.000 A 6 PHE HBy H 1 2.651 0.000 A 6 PHE HDx H 1 7.039 0.001 A 6 PHE HDy H 1 7.039 0.001 A 6 PHE HEx H 1 7.158 0.000 A 6 PHE HEy H 1 7.158 0.000 A 7 PHE H H 1 8.226 0.000 A 7 PHE HA H 1 4.518 0.000 A 7 PHE HBx H 1 3.046 0.000 A 7 PHE HBy H 1 3.348 0.002 A 7 PHE HDx H 1 7.320 0.001 A 7 PHE HDy H 1 7.320 0.001 A 7 PHE HEx H 1 7.248 0.000 A 7 PHE HEy H 1 7.248 0.000 A 8 CYS H H 1 7.920 0.000 A 8 CYS HA H 1 4.734 0.000 A 8 CYS HBx H 1 3.122 0.000 A 8 CYS HBy H 1 3.330 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 ARG H A 2 ARG HBx 1.0 . 3.24 2 2 A 2 ARG H A 2 ARG HBy 1.0 . 3.24 3 3 A 2 ARG H A 2 ARG HBy 1.0 . 2.72 4 3 A 2 ARG H A 2 ARG HBx 1.0 . 2.72 5 4 A 2 ARG H A 2 ARG HGx 1.0 . 4.86 6 4 A 2 ARG H A 2 ARG HGy 1.0 . 4.86 7 5 A 3 ALA H A 2 ARG H 1.0 . 3.24 8 6 A 2 ARG HA A 2 ARG HBx 1.0 . 3.05 9 7 A 2 ARG HA A 2 ARG HBy 1.0 . 3.05 10 8 A 2 ARG HA A 2 ARG HDx 1.0 . 5.73 11 8 A 2 ARG HA A 2 ARG HDy 1.0 . 5.73 12 9 A 2 ARG HA A 2 ARG HE 1.0 . 5.50 13 10 A 2 ARG HA A 3 ALA H 1.0 . 2.74 14 11 A 2 ARG HBx A 2 ARG HE 1.0 . 4.23 15 12 A 3 ALA H A 2 ARG HBx 1.0 . 3.52 16 13 A 6 PHE HBy A 2 ARG HBx 1.0 . 6.38 17 13 A 2 ARG HBx A 6 PHE HBx 1.0 . 6.38 18 14 A 6 PHE HD% A 2 ARG HBx 1.0 . 7.62 19 15 A 2 ARG HE A 2 ARG HBy 1.0 . 4.23 20 16 A 3 ALA H A 2 ARG HBy 1.0 . 3.52 21 17 A 6 PHE HBy A 2 ARG HBy 1.0 . 6.38 22 17 A 2 ARG HBy A 6 PHE HBx 1.0 . 6.38 23 18 A 6 PHE HD% A 2 ARG HBy 1.0 . 7.62 24 19 A 2 ARG HE A 2 ARG HBy 1.0 . 3.69 25 19 A 2 ARG HBx A 2 ARG HE 1.0 . 3.69 26 20 A 3 ALA H A 2 ARG HBy 1.0 . 3.03 27 20 A 3 ALA H A 2 ARG HBx 1.0 . 3.03 28 21 A 3 ALA H A 2 ARG HGx 1.0 . 6.38 29 21 A 3 ALA H A 2 ARG HGy 1.0 . 6.38 30 22 A 6 PHE HD% A 2 ARG HGx 1.0 . 8.50 31 22 A 6 PHE HD% A 2 ARG HGy 1.0 . 8.50 32 23 A 3 ALA H A 2 ARG HDx 1.0 . 6.38 33 23 A 2 ARG HDy A 3 ALA H 1.0 . 6.38 34 24 A 3 ALA H A 3 ALA HA 1.0 . 2.80 35 25 A 3 ALA H A 3 ALA HB% 1.0 . 3.80 36 26 A 7 PHE HD% A 3 ALA HB% 1.0 . 8.65 37 27 A 3 ALA HB% A 7 PHE HE% 1.0 . 8.65 38 28 A 5 ARG H A 5 ARG HBx 1.0 . 3.08 39 29 A 5 ARG H A 5 ARG HBy 1.0 . 3.08 40 30 A 5 ARG H A 5 ARG HBy 1.0 . 2.63 41 30 A 5 ARG H A 5 ARG HBx 1.0 . 2.63 42 31 A 5 ARG H A 5 ARG HGx 1.0 . 6.38 43 31 A 5 ARG H A 5 ARG HGy 1.0 . 6.38 44 32 A 5 ARG H A 5 ARG HDx 1.0 . 6.38 45 32 A 5 ARG H A 5 ARG HDy 1.0 . 6.38 46 33 A 5 ARG H A 5 ARG HE 1.0 . 5.50 47 34 A 5 ARG H A 6 PHE H 1.0 . 2.96 48 35 A 6 PHE HD% A 5 ARG H 1.0 . 7.62 49 36 A 5 ARG HA A 5 ARG HDx 1.0 . 5.69 50 36 A 5 ARG HDy A 5 ARG HA 1.0 . 5.69 51 37 A 5 ARG HE A 5 ARG HA 1.0 . 5.50 52 38 A 6 PHE H A 5 ARG HA 1.0 . 3.08 53 39 A 5 ARG HA A 6 PHE HBx 1.0 . 6.00 54 39 A 6 PHE HBy A 5 ARG HA 1.0 . 6.00 55 40 A 6 PHE HD% A 5 ARG HA 1.0 . 7.62 56 41 A 5 ARG HA A 6 PHE HE% 1.0 . 7.62 57 42 A 5 ARG HA A 7 PHE H 1.0 . 5.50 58 43 A 5 ARG HBx A 6 PHE H 1.0 . 3.42 59 44 A 6 PHE HBy A 5 ARG HBx 1.0 . 6.38 60 44 A 5 ARG HBx A 6 PHE HBx 1.0 . 6.38 61 45 A 6 PHE HD% A 5 ARG HBx 1.0 . 7.50 62 46 A 5 ARG HBx A 6 PHE HE% 1.0 . 7.62 63 47 A 5 ARG HBx A 6 PHE HZ 1.0 . 5.50 64 48 A 6 PHE H A 5 ARG HBy 1.0 . 3.42 65 49 A 6 PHE HBy A 5 ARG HBy 1.0 . 6.38 66 49 A 5 ARG HBy A 6 PHE HBx 1.0 . 6.38 67 50 A 6 PHE HD% A 5 ARG HBy 1.0 . 7.50 68 51 A 6 PHE HE% A 5 ARG HBy 1.0 . 7.62 69 52 A 6 PHE HZ A 5 ARG HBy 1.0 . 5.50 70 53 A 5 ARG HE A 5 ARG HBy 1.0 . 3.90 71 53 A 5 ARG HBx A 5 ARG HE 1.0 . 3.90 72 54 A 6 PHE H A 5 ARG HGx 1.0 . 6.38 73 54 A 5 ARG HGy A 6 PHE H 1.0 . 6.38 74 55 A 5 ARG HGy A 6 PHE HBx 1.0 . 7.25 75 55 A 5 ARG HGx A 6 PHE HBx 1.0 . 7.25 76 55 A 6 PHE HBy A 5 ARG HGx 1.0 . 7.25 77 55 A 6 PHE HBy A 5 ARG HGy 1.0 . 7.25 78 56 A 6 PHE HD% A 5 ARG HGx 1.0 . 8.50 79 56 A 6 PHE HD% A 5 ARG HGy 1.0 . 8.50 80 57 A 6 PHE HE% A 5 ARG HGx 1.0 . 8.50 81 57 A 5 ARG HGy A 6 PHE HE% 1.0 . 8.50 82 58 A 6 PHE HZ A 5 ARG HGx 1.0 . 6.38 83 58 A 5 ARG HGy A 6 PHE HZ 1.0 . 6.38 84 59 A 6 PHE H A 5 ARG HDx 1.0 . 6.38 85 59 A 5 ARG HDy A 6 PHE H 1.0 . 6.38 86 60 A 5 ARG HDy A 6 PHE HBx 1.0 . 7.25 87 60 A 6 PHE HBy A 5 ARG HDx 1.0 . 7.25 88 60 A 6 PHE HBy A 5 ARG HDy 1.0 . 7.25 89 60 A 5 ARG HDx A 6 PHE HBx 1.0 . 7.25 90 61 A 6 PHE HD% A 5 ARG HDx 1.0 . 8.50 91 61 A 6 PHE HD% A 5 ARG HDy 1.0 . 8.50 92 62 A 6 PHE HE% A 5 ARG HDx 1.0 . 8.50 93 62 A 5 ARG HDy A 6 PHE HE% 1.0 . 8.50 94 63 A 6 PHE HZ A 5 ARG HDx 1.0 . 6.38 95 63 A 5 ARG HDy A 6 PHE HZ 1.0 . 6.38 96 64 A 6 PHE H A 6 PHE HBx 1.0 . 4.11 97 64 A 6 PHE HBy A 6 PHE H 1.0 . 4.11 98 65 A 6 PHE HD% A 6 PHE H 1.0 . 7.00 99 66 A 6 PHE H A 6 PHE HE% 1.0 . 7.62 100 67 A 6 PHE H A 7 PHE H 1.0 . 3.36 101 68 A 7 PHE HD% A 6 PHE H 1.0 . 7.62 102 69 A 7 PHE HE% A 6 PHE H 1.0 . 7.62 103 70 A 6 PHE HD% A 6 PHE HA 1.0 . 5.85 104 71 A 7 PHE HE% A 6 PHE HA 1.0 . 7.62 105 72 A 7 PHE H A 6 PHE HBx 1.0 . 4.36 106 72 A 6 PHE HBy A 7 PHE H 1.0 . 4.36 107 73 A 7 PHE HBx A 6 PHE HBx 1.0 . 6.38 108 73 A 6 PHE HBy A 7 PHE HBx 1.0 . 6.38 109 74 A 6 PHE HBy A 7 PHE HBy 1.0 . 6.38 110 74 A 6 PHE HBx A 7 PHE HBy 1.0 . 6.38 111 75 A 7 PHE HD% A 6 PHE HBx 1.0 . 8.28 112 75 A 6 PHE HBy A 7 PHE HD% 1.0 . 8.28 113 76 A 7 PHE HE% A 6 PHE HBx 1.0 . 8.50 114 76 A 6 PHE HBy A 7 PHE HE% 1.0 . 8.50 115 77 A 6 PHE HD% A 7 PHE H 1.0 . 7.62 116 78 A 6 PHE HD% A 7 PHE HBy 1.0 . 7.30 117 78 A 6 PHE HD% A 7 PHE HBx 1.0 . 7.30 118 79 A 7 PHE HBx A 7 PHE H 1.0 . 4.01 119 80 A 7 PHE H A 7 PHE HBy 1.0 . 4.01 120 81 A 7 PHE H A 7 PHE HBy 1.0 . 3.36 121 81 A 7 PHE HBx A 7 PHE H 1.0 . 3.36 122 82 A 7 PHE HD% A 7 PHE H 1.0 . 7.19 123 83 A 7 PHE HE% A 7 PHE H 1.0 . 7.62 124 84 A 7 PHE H A 8 CYS H 1.0 . 3.33 125 85 A 7 PHE HD% A 7 PHE HA 1.0 . 5.79 126 86 A 8 CYS H A 7 PHE HA 1.0 . 2.96 127 87 A 8 CYS H A 7 PHE HBy 1.0 . 4.00 128 87 A 7 PHE HBx A 8 CYS H 1.0 . 4.00 129 88 A 7 PHE HD% A 8 CYS H 1.0 . 7.62 130 89 A 7 PHE HE% A 8 CYS H 1.0 . 7.62 131 90 A 8 CYS HBx A 8 CYS H 1.0 . 3.33 132 91 A 8 CYS H A 8 CYS HBy 1.0 . 3.33 133 92 A 8 CYS H A 8 CYS HBy 1.0 . 2.87 134 92 A 8 CYS HBx A 8 CYS H 1.0 . 2.87 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 12000 folded 2 Hz 1H 12000 folded stop_ save_