data_7262 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7262 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 NN-BP-6 'Structure analysis' 'NMR structure of the N-terminal subdomain of IGFBP-6(1-45IGFBP-6)' 7262 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . IGFBP-6 7262 1 . 'Insulin like growth factors' 7262 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7262 _Entry.Title ; NMR assignments of the the N-terminal subdomain of IGFBP-6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-10 _Entry.Accession_date 2006-08-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Indu Chandrashekaran . R. . 7262 2 Shenggen Yao . . . 7262 3 Chunxiao Wang . C. . 7262 4 Paramjit Bansal . S. . 7262 5 Paul Alewood . F. . 7262 6 John Wallace . C. . 7262 7 Leon Bach . A. . 7262 8 Raymond Norton . S. . 7262 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . WEHI . 7262 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7262 coupling_constants 1 7262 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 37 7262 '15N chemical shifts' 35 7262 '1H chemical shifts' 199 7262 'coupling constants' 15 7262 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-03-20 2006-08-10 update author 'complete citation' 7262 1 . . 2007-03-06 2006-08-10 original author 'original release' 7262 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JM2 'BMRB Entry Tracking System' 7262 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7262 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17305365 _Citation.Full_citation . _Citation.Title ; The N-Terminal Subdomain of Insulin-like Growth Factor (IGF) Binding Protein 6. Structure and Interaction with IGFs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3065 _Citation.Page_last 3074 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Indu Chandrashekaran . R. . 7262 1 2 Shenggen Yao . . . 7262 1 3 Chunxiao Wang . C. . 7262 1 4 Paramjit Bansal . S. . 7262 1 5 Paul Alewood . F. . 7262 1 6 B. Forbes . E. . 7262 1 7 John Wallace . C. . 7262 1 8 Leon Bach . A. . 7262 1 9 Raymond Norton . S. . 7262 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IGFBP-6 7262 1 'Insulin like growth factors' 7262 1 'NMR assignments' 7262 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7262 _Assembly.ID 1 _Assembly.Name 1-45IGFBP-6 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 4365.7 _Assembly.Enzyme_commission_number . _Assembly.Details '1-45 of IGFBP-6 comprising the N-terminal subdomain of IGFBP-6' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7262 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 1-45IGFBP-6 1 $1-45IGFBP-6 . . yes native no no . . . 7262 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 5 5 SG . 1 . 1 CYS 8 8 SG . . . . . . . . . . 7262 1 2 disulfide single . 1 . 1 CYS 16 16 SG . 1 . 1 CYS 20 20 SG . . . . . . . . . . 7262 1 3 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . 7262 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Insulin like growth factor regulation' 7262 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID IGFBP-6 7262 1 'Insulin like growth factors' 7262 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_1-45IGFBP-6 _Entity.Sf_category entity _Entity.Sf_framecode 1-45IGFBP-6 _Entity.Entry_ID 7262 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NN-BP-6 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ALARCPGCGQGVQAGCPGGC VEEEDGGSPAEGCAEAEGCL RREGQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'IGF binding protein' 7262 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID NN-BP-6 . 7262 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID IGFBP-6 7262 1 'Insulin like growth factors' 7262 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 7262 1 2 . LEU . 7262 1 3 . ALA . 7262 1 4 . ARG . 7262 1 5 . CYS . 7262 1 6 . PRO . 7262 1 7 . GLY . 7262 1 8 . CYS . 7262 1 9 . GLY . 7262 1 10 . GLN . 7262 1 11 . GLY . 7262 1 12 . VAL . 7262 1 13 . GLN . 7262 1 14 . ALA . 7262 1 15 . GLY . 7262 1 16 . CYS . 7262 1 17 . PRO . 7262 1 18 . GLY . 7262 1 19 . GLY . 7262 1 20 . CYS . 7262 1 21 . VAL . 7262 1 22 . GLU . 7262 1 23 . GLU . 7262 1 24 . GLU . 7262 1 25 . ASP . 7262 1 26 . GLY . 7262 1 27 . GLY . 7262 1 28 . SER . 7262 1 29 . PRO . 7262 1 30 . ALA . 7262 1 31 . GLU . 7262 1 32 . GLY . 7262 1 33 . CYS . 7262 1 34 . ALA . 7262 1 35 . GLU . 7262 1 36 . ALA . 7262 1 37 . GLU . 7262 1 38 . GLY . 7262 1 39 . CYS . 7262 1 40 . LEU . 7262 1 41 . ARG . 7262 1 42 . ARG . 7262 1 43 . GLU . 7262 1 44 . GLY . 7262 1 45 . GLN . 7262 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 7262 1 . LEU 2 2 7262 1 . ALA 3 3 7262 1 . ARG 4 4 7262 1 . CYS 5 5 7262 1 . PRO 6 6 7262 1 . GLY 7 7 7262 1 . CYS 8 8 7262 1 . GLY 9 9 7262 1 . GLN 10 10 7262 1 . GLY 11 11 7262 1 . VAL 12 12 7262 1 . GLN 13 13 7262 1 . ALA 14 14 7262 1 . GLY 15 15 7262 1 . CYS 16 16 7262 1 . PRO 17 17 7262 1 . GLY 18 18 7262 1 . GLY 19 19 7262 1 . CYS 20 20 7262 1 . VAL 21 21 7262 1 . GLU 22 22 7262 1 . GLU 23 23 7262 1 . GLU 24 24 7262 1 . ASP 25 25 7262 1 . GLY 26 26 7262 1 . GLY 27 27 7262 1 . SER 28 28 7262 1 . PRO 29 29 7262 1 . ALA 30 30 7262 1 . GLU 31 31 7262 1 . GLY 32 32 7262 1 . CYS 33 33 7262 1 . ALA 34 34 7262 1 . GLU 35 35 7262 1 . ALA 36 36 7262 1 . GLU 37 37 7262 1 . GLY 38 38 7262 1 . CYS 39 39 7262 1 . LEU 40 40 7262 1 . ARG 41 41 7262 1 . ARG 42 42 7262 1 . GLU 43 43 7262 1 . GLY 44 44 7262 1 . GLN 45 45 7262 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7262 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $1-45IGFBP-6 . 9606 organism no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7262 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7262 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $1-45IGFBP-6 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7262 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7262 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NN-BP-6 . . . 1 $1-45IGFBP-6 . protein 1.1 . . mM . . . . 7262 1 2 'Sodium acetate' . . . . . . buffer 10 . . mM . . . . 7262 1 3 'Sodium azide' . . . . . . . 0.02 . . % . . . . 7262 1 4 D2O . . . . . . . 5 . . % . . . . 7262 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7262 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 0.002 mM 7262 1 pH 4.3 0.1 pH 7262 1 temperature 288 0.2 K 7262 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7262 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details 'Data collection and processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7262 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7262 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3 _Software.Details 'Peak assignment' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7262 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7262 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7262 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1 3 '2D 1H-1H DQF-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1 5 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1 stop_ save_ save_1H-13C_HMQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C_HMQC _NMR_spec_expt.Entry_ID 7262 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-13C HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H-1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-1H_NOESY _NMR_spec_expt.Entry_ID 7262 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H-1H_DQF-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-1H_DQF-COSY _NMR_spec_expt.Entry_ID 7262 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H-1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-1H_TOCSY _NMR_spec_expt.Entry_ID 7262 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7262 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7262 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7262 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7262 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7262 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7262 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-13C HMQC' 1 $sample_1 isotropic 7262 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 7262 1 3 '2D 1H-1H DQF-COSY' 1 $sample_1 isotropic 7262 1 4 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 7262 1 5 '1H15N HSQC' 1 $sample_1 isotropic 7262 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7262 1 2 $software_2 . . 7262 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.09 0.02 . 1 . . . . 1 ALA HA . 7262 1 2 . 1 1 1 1 ALA HB1 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1 3 . 1 1 1 1 ALA HB2 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1 4 . 1 1 1 1 ALA HB3 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1 5 . 1 1 1 1 ALA CA C 13 51.3 0.5 . 1 . . . . 1 ALA CA . 7262 1 6 . 1 1 1 1 ALA CB C 13 19 0.5 . 1 . . . . 1 ALA CB . 7262 1 7 . 1 1 2 2 LEU H H 1 8.59 0.02 . 1 . . . . 2 LEU H . 7262 1 8 . 1 1 2 2 LEU HA H 1 4.33 0.02 . 1 . . . . 2 LEU HA . 7262 1 9 . 1 1 2 2 LEU HB2 H 1 1.6 0.02 . 2 . . . . 2 LEU HB2 . 7262 1 10 . 1 1 2 2 LEU HD11 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1 11 . 1 1 2 2 LEU HD12 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1 12 . 1 1 2 2 LEU HD13 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1 13 . 1 1 2 2 LEU N N 15 124.4 0.5 . 1 . . . . 2 LEU N . 7262 1 14 . 1 1 3 3 ALA H H 1 8.54 0.02 . 1 . . . . 3 ALA H . 7262 1 15 . 1 1 3 3 ALA HA H 1 4.35 0.02 . 1 . . . . 3 ALA HA . 7262 1 16 . 1 1 3 3 ALA HB1 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1 17 . 1 1 3 3 ALA HB2 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1 18 . 1 1 3 3 ALA HB3 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1 19 . 1 1 3 3 ALA CA C 13 52.3 0.5 . 1 . . . . 3 ALA CA . 7262 1 20 . 1 1 3 3 ALA N N 15 124.2 0.5 . 1 . . . . 3 ALA N . 7262 1 21 . 1 1 4 4 ARG H H 1 8.5 0.02 . 1 . . . . 4 ARG H . 7262 1 22 . 1 1 4 4 ARG HA H 1 4.33 0.02 . 1 . . . . 4 ARG HA . 7262 1 23 . 1 1 4 4 ARG HB2 H 1 1.84 0.02 . 2 . . . . 4 ARG HB2 . 7262 1 24 . 1 1 4 4 ARG HB3 H 1 1.76 0.02 . 2 . . . . 4 ARG HB3 . 7262 1 25 . 1 1 4 4 ARG HG2 H 1 1.64 0.02 . 2 . . . . 4 ARG HG2 . 7262 1 26 . 1 1 4 4 ARG HD2 H 1 3.193 0.02 . 2 . . . . 4 ARG HD2 . 7262 1 27 . 1 1 4 4 ARG N N 15 120.6 0.5 . 1 . . . . 4 ARG N . 7262 1 28 . 1 1 5 5 CYS H H 1 8.43 0.02 . 1 . . . . 5 CYS H . 7262 1 29 . 1 1 5 5 CYS HA H 1 4.89 0.02 . 1 . . . . 5 CYS HA . 7262 1 30 . 1 1 5 5 CYS HB2 H 1 3.2 0.02 . 2 . . . . 5 CYS HB2 . 7262 1 31 . 1 1 5 5 CYS HB3 H 1 3.38 0.02 . 2 . . . . 5 CYS HB3 . 7262 1 32 . 1 1 5 5 CYS N N 15 120.1 0.5 . 1 . . . . 5 CYS N . 7262 1 33 . 1 1 6 6 PRO HA H 1 4.42 0.02 . 1 . . . . 6 PRO HA . 7262 1 34 . 1 1 6 6 PRO HB2 H 1 2.16 0.02 . 2 . . . . 6 PRO HB2 . 7262 1 35 . 1 1 6 6 PRO HB3 H 1 2.31 0.02 . 2 . . . . 6 PRO HB3 . 7262 1 36 . 1 1 6 6 PRO HG2 H 1 2 0.02 . 2 . . . . 6 PRO HG2 . 7262 1 37 . 1 1 6 6 PRO HD2 H 1 3.71 0.02 . 2 . . . . 6 PRO HD2 . 7262 1 38 . 1 1 6 6 PRO HD3 H 1 3.84 0.02 . 2 . . . . 6 PRO HD3 . 7262 1 39 . 1 1 6 6 PRO CA C 13 64.3 0.5 . 1 . . . . 6 PRO CA . 7262 1 40 . 1 1 7 7 GLY H H 1 8.87 0.02 . 1 . . . . 7 GLY H . 7262 1 41 . 1 1 7 7 GLY HA2 H 1 3.99 0.02 . 2 . . . . 7 GLY HA2 . 7262 1 42 . 1 1 7 7 GLY HA3 H 1 3.92 0.02 . 2 . . . . 7 GLY HA3 . 7262 1 43 . 1 1 7 7 GLY CA C 13 45.1 0.5 . 1 . . . . 7 GLY CA . 7262 1 44 . 1 1 7 7 GLY N N 15 110.7 0.5 . 1 . . . . 7 GLY N . 7262 1 45 . 1 1 8 8 CYS H H 1 7.93 0.02 . 1 . . . . 8 CYS H . 7262 1 46 . 1 1 8 8 CYS HA H 1 4.46 0.02 . 1 . . . . 8 CYS HA . 7262 1 47 . 1 1 8 8 CYS HB2 H 1 3.2 0.02 . 2 . . . . 8 CYS HB2 . 7262 1 48 . 1 1 8 8 CYS HB3 H 1 3.42 0.02 . 2 . . . . 8 CYS HB3 . 7262 1 49 . 1 1 8 8 CYS CA C 13 58.3 0.5 . 1 . . . . 8 CYS CA . 7262 1 50 . 1 1 8 8 CYS CB C 13 38.3 0.5 . 1 . . . . 8 CYS CB . 7262 1 51 . 1 1 8 8 CYS N N 15 119.2 0.5 . 1 . . . . 8 CYS N . 7262 1 52 . 1 1 9 9 GLY H H 1 8.66 0.02 . 1 . . . . 9 GLY H . 7262 1 53 . 1 1 9 9 GLY HA2 H 1 3.97 0.02 . 2 . . . . 9 GLY HA2 . 7262 1 54 . 1 1 9 9 GLY N N 15 109.8 0.5 . 1 . . . . 9 GLY N . 7262 1 55 . 1 1 10 10 GLN H H 1 8.38 0.02 . 1 . . . . 10 GLN H . 7262 1 56 . 1 1 10 10 GLN HA H 1 4.34 0.02 . 1 . . . . 10 GLN HA . 7262 1 57 . 1 1 10 10 GLN HB2 H 1 2.15 0.02 . 2 . . . . 10 GLN HB2 . 7262 1 58 . 1 1 10 10 GLN HB3 H 1 1.98 0.02 . 2 . . . . 10 GLN HB3 . 7262 1 59 . 1 1 10 10 GLN HG2 H 1 2.36 0.02 . 2 . . . . 10 GLN HG2 . 7262 1 60 . 1 1 10 10 GLN HE21 H 1 7.56 0.02 . 2 . . . . 10 GLN HE21 . 7262 1 61 . 1 1 11 11 GLY H H 1 8.56 0.02 . 1 . . . . 11 GLY H . 7262 1 62 . 1 1 11 11 GLY HA2 H 1 3.98 0.02 . 2 . . . . 11 GLY HA2 . 7262 1 63 . 1 1 11 11 GLY N N 15 110.2 0.5 . 1 . . . . 11 GLY N . 7262 1 64 . 1 1 12 12 VAL H H 1 8.13 0.02 . 1 . . . . 12 VAL H . 7262 1 65 . 1 1 12 12 VAL HA H 1 4.11 0.02 . 1 . . . . 12 VAL HA . 7262 1 66 . 1 1 12 12 VAL HB H 1 2.08 0.02 . 1 . . . . 12 VAL HB . 7262 1 67 . 1 1 12 12 VAL HG11 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1 68 . 1 1 12 12 VAL HG12 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1 69 . 1 1 12 12 VAL HG13 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1 70 . 1 1 12 12 VAL CA C 13 62.3 0.5 . 1 . . . . 12 VAL CA . 7262 1 71 . 1 1 12 12 VAL CB C 13 32.5 0.5 . 1 . . . . 12 VAL CB . 7262 1 72 . 1 1 12 12 VAL N N 15 119.6 0.5 . 1 . . . . 12 VAL N . 7262 1 73 . 1 1 13 13 GLN H H 1 8.55 0.02 . 1 . . . . 13 GLN H . 7262 1 74 . 1 1 13 13 GLN HA H 1 4.35 0.02 . 1 . . . . 13 GLN HA . 7262 1 75 . 1 1 13 13 GLN HB2 H 1 2.11 0.02 . 2 . . . . 13 GLN HB2 . 7262 1 76 . 1 1 13 13 GLN HB3 H 1 1.98 0.02 . 2 . . . . 13 GLN HB3 . 7262 1 77 . 1 1 13 13 GLN HG2 H 1 2.38 0.02 . 2 . . . . 13 GLN HG2 . 7262 1 78 . 1 1 13 13 GLN CA C 13 54.8 0.5 . 1 . . . . 13 GLN CA . 7262 1 79 . 1 1 13 13 GLN CB C 13 28.9 0.5 . 1 . . . . 13 GLN CB . 7262 1 80 . 1 1 13 13 GLN N N 15 121.9 0.5 . 1 . . . . 13 GLN N . 7262 1 81 . 1 1 14 14 ALA H H 1 8.4 0.02 . 1 . . . . 14 ALA H . 7262 1 82 . 1 1 14 14 ALA HA H 1 4.34 0.02 . 1 . . . . 14 ALA HA . 7262 1 83 . 1 1 14 14 ALA HB1 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1 84 . 1 1 14 14 ALA HB2 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1 85 . 1 1 14 14 ALA HB3 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1 86 . 1 1 14 14 ALA CA C 13 52 0.5 . 1 . . . . 14 ALA CA . 7262 1 87 . 1 1 14 14 ALA N N 15 125.6 0.5 . 1 . . . . 14 ALA N . 7262 1 88 . 1 1 15 15 GLY H H 1 8.45 0.02 . 1 . . . . 15 GLY H . 7262 1 89 . 1 1 15 15 GLY HA2 H 1 3.97 0.02 . 2 . . . . 15 GLY HA2 . 7262 1 90 . 1 1 15 15 GLY N N 15 107.7 0.5 . 1 . . . . 15 GLY N . 7262 1 91 . 1 1 16 16 CYS H H 1 8.2 0.02 . 1 . . . . 16 CYS H . 7262 1 92 . 1 1 16 16 CYS HA H 1 4.9 0.02 . 1 . . . . 16 CYS HA . 7262 1 93 . 1 1 16 16 CYS HB2 H 1 3.26 0.02 . 2 . . . . 16 CYS HB2 . 7262 1 94 . 1 1 16 16 CYS HB3 H 1 2.85 0.02 . 2 . . . . 16 CYS HB3 . 7262 1 95 . 1 1 16 16 CYS N N 15 118.2 0.5 . 1 . . . . 16 CYS N . 7262 1 96 . 1 1 17 17 PRO HA H 1 4.4 0.02 . 1 . . . . 17 PRO HA . 7262 1 97 . 1 1 17 17 PRO HB2 H 1 2.1 0.02 . 2 . . . . 17 PRO HB2 . 7262 1 98 . 1 1 17 17 PRO HB3 H 1 2.25 0.02 . 2 . . . . 17 PRO HB3 . 7262 1 99 . 1 1 17 17 PRO HG2 H 1 1.99 0.02 . 2 . . . . 17 PRO HG2 . 7262 1 100 . 1 1 17 17 PRO HD2 H 1 3.67 0.02 . 2 . . . . 17 PRO HD2 . 7262 1 101 . 1 1 17 17 PRO HD3 H 1 3.76 0.02 . 2 . . . . 17 PRO HD3 . 7262 1 102 . 1 1 17 17 PRO CA C 13 64.1 0.5 . 1 . . . . 17 PRO CA . 7262 1 103 . 1 1 18 18 GLY H H 1 8.79 0.02 . 1 . . . . 18 GLY H . 7262 1 104 . 1 1 18 18 GLY HA2 H 1 4.06 0.02 . 2 . . . . 18 GLY HA2 . 7262 1 105 . 1 1 18 18 GLY HA3 H 1 3.89 0.02 . 2 . . . . 18 GLY HA3 . 7262 1 106 . 1 1 18 18 GLY CA C 13 45.1 0.5 . 1 . . . . 18 GLY CA . 7262 1 107 . 1 1 18 18 GLY N N 15 112.1 0.5 . 1 . . . . 18 GLY N . 7262 1 108 . 1 1 19 19 GLY H H 1 8.08 0.02 . 1 . . . . 19 GLY H . 7262 1 109 . 1 1 19 19 GLY HA2 H 1 3.79 0.02 . 2 . . . . 19 GLY HA2 . 7262 1 110 . 1 1 19 19 GLY HA3 H 1 4.38 0.02 . 2 . . . . 19 GLY HA3 . 7262 1 111 . 1 1 19 19 GLY CA C 13 43.4 0.5 . 1 . . . . 19 GLY CA . 7262 1 112 . 1 1 19 19 GLY N N 15 109.6 0.5 . 1 . . . . 19 GLY N . 7262 1 113 . 1 1 20 20 CYS H H 1 8.75 0.02 . 1 . . . . 20 CYS H . 7262 1 114 . 1 1 20 20 CYS HA H 1 4.65 0.02 . 1 . . . . 20 CYS HA . 7262 1 115 . 1 1 20 20 CYS HB2 H 1 2.98 0.02 . 2 . . . . 20 CYS HB2 . 7262 1 116 . 1 1 20 20 CYS HB3 H 1 3.36 0.02 . 2 . . . . 20 CYS HB3 . 7262 1 117 . 1 1 20 20 CYS CA C 13 55.1 0.5 . 1 . . . . 20 CYS CA . 7262 1 118 . 1 1 20 20 CYS CB C 13 41.7 0.5 . 1 . . . . 20 CYS CB . 7262 1 119 . 1 1 20 20 CYS N N 15 120.7 0.5 . 1 . . . . 20 CYS N . 7262 1 120 . 1 1 21 21 VAL H H 1 8.4 0.02 . 1 . . . . 21 VAL H . 7262 1 121 . 1 1 21 21 VAL HA H 1 4.1 0.02 . 1 . . . . 21 VAL HA . 7262 1 122 . 1 1 21 21 VAL HB H 1 2.05 0.02 . 1 . . . . 21 VAL HB . 7262 1 123 . 1 1 21 21 VAL HG11 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1 124 . 1 1 21 21 VAL HG12 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1 125 . 1 1 21 21 VAL HG13 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1 126 . 1 1 21 21 VAL N N 15 121.3 0.5 . 1 . . . . 21 VAL N . 7262 1 127 . 1 1 22 22 GLU H H 1 8.58 0.02 . 1 . . . . 22 GLU H . 7262 1 128 . 1 1 22 22 GLU HA H 1 4.33 0.02 . 1 . . . . 22 GLU HA . 7262 1 129 . 1 1 22 22 GLU HB2 H 1 1.96 0.02 . 2 . . . . 22 GLU HB2 . 7262 1 130 . 1 1 22 22 GLU HB3 H 1 2.06 0.02 . 2 . . . . 22 GLU HB3 . 7262 1 131 . 1 1 22 22 GLU HG2 H 1 2.39 0.02 . 2 . . . . 22 GLU HG2 . 7262 1 132 . 1 1 23 23 GLU H H 1 8.46 0.02 . 1 . . . . 23 GLU H . 7262 1 133 . 1 1 23 23 GLU HA H 1 4.34 0.02 . 1 . . . . 23 GLU HA . 7262 1 134 . 1 1 23 23 GLU HB2 H 1 1.97 0.02 . 2 . . . . 23 GLU HB2 . 7262 1 135 . 1 1 23 23 GLU HB3 H 1 2.08 0.02 . 2 . . . . 23 GLU HB3 . 7262 1 136 . 1 1 23 23 GLU HG2 H 1 2.4 0.02 . 2 . . . . 23 GLU HG2 . 7262 1 137 . 1 1 23 23 GLU N N 15 122 0.5 . 1 . . . . 23 GLU N . 7262 1 138 . 1 1 24 24 GLU H H 1 8.54 0.02 . 1 . . . . 24 GLU H . 7262 1 139 . 1 1 24 24 GLU HA H 1 4.36 0.02 . 1 . . . . 24 GLU HA . 7262 1 140 . 1 1 24 24 GLU HB2 H 1 1.98 0.02 . 2 . . . . 24 GLU HB2 . 7262 1 141 . 1 1 24 24 GLU HB3 H 1 2.1 0.02 . 2 . . . . 24 GLU HB3 . 7262 1 142 . 1 1 24 24 GLU HG2 H 1 2.4 0.02 . 2 . . . . 24 GLU HG2 . 7262 1 143 . 1 1 24 24 GLU N N 15 126.1 0.5 . 1 . . . . 24 GLU N . 7262 1 144 . 1 1 25 25 ASP H H 1 8.54 0.02 . 1 . . . . 25 ASP H . 7262 1 145 . 1 1 25 25 ASP HA H 1 4.67 0.02 . 1 . . . . 25 ASP HA . 7262 1 146 . 1 1 25 25 ASP HB2 H 1 2.8 0.02 . 2 . . . . 25 ASP HB2 . 7262 1 147 . 1 1 25 25 ASP CA C 13 53.5 0.5 . 1 . . . . 25 ASP CA . 7262 1 148 . 1 1 25 25 ASP CB C 13 39.6 0.5 . 1 . . . . 25 ASP CB . 7262 1 149 . 1 1 25 25 ASP N N 15 121 0.5 . 1 . . . . 25 ASP N . 7262 1 150 . 1 1 26 26 GLY H H 1 8.46 0.02 . 1 . . . . 26 GLY H . 7262 1 151 . 1 1 26 26 GLY HA2 H 1 3.97 0.02 . 2 . . . . 26 GLY HA2 . 7262 1 152 . 1 1 26 26 GLY CA C 13 45 0.5 . 1 . . . . 26 GLY CA . 7262 1 153 . 1 1 27 27 GLY H H 1 8.29 0.02 . 1 . . . . 27 GLY H . 7262 1 154 . 1 1 27 27 GLY HA2 H 1 3.98 0.02 . 2 . . . . 27 GLY HA2 . 7262 1 155 . 1 1 27 27 GLY N N 15 108.5 0.5 . 1 . . . . 27 GLY N . 7262 1 156 . 1 1 28 28 SER H H 1 8.24 0.02 . 1 . . . . 28 SER H . 7262 1 157 . 1 1 28 28 SER HA H 1 4.8 0.02 . 1 . . . . 28 SER HA . 7262 1 158 . 1 1 28 28 SER HB2 H 1 3.85 0.02 . 2 . . . . 28 SER HB2 . 7262 1 159 . 1 1 28 28 SER CA C 13 56.2 0.5 . 1 . . . . 28 SER CA . 7262 1 160 . 1 1 28 28 SER CB C 13 63.2 0.5 . 1 . . . . 28 SER CB . 7262 1 161 . 1 1 28 28 SER N N 15 116.7 0.5 . 1 . . . . 28 SER N . 7262 1 162 . 1 1 29 29 PRO HA H 1 4.43 0.02 . 1 . . . . 29 PRO HA . 7262 1 163 . 1 1 29 29 PRO HB2 H 1 2.29 0.02 . 2 . . . . 29 PRO HB2 . 7262 1 164 . 1 1 29 29 PRO HG2 H 1 1.95 0.02 . 2 . . . . 29 PRO HG2 . 7262 1 165 . 1 1 29 29 PRO HD2 H 1 3.71 0.02 . 2 . . . . 29 PRO HD2 . 7262 1 166 . 1 1 29 29 PRO CA C 13 63.3 0.5 . 1 . . . . 29 PRO CA . 7262 1 167 . 1 1 29 29 PRO CB C 13 34 0.5 . 1 . . . . 29 PRO CB . 7262 1 168 . 1 1 30 30 ALA H H 1 8.41 0.02 . 1 . . . . 30 ALA H . 7262 1 169 . 1 1 30 30 ALA HA H 1 4.28 0.02 . 1 . . . . 30 ALA HA . 7262 1 170 . 1 1 30 30 ALA HB1 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1 171 . 1 1 30 30 ALA HB2 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1 172 . 1 1 30 30 ALA HB3 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1 173 . 1 1 30 30 ALA CA C 13 52.4 0.5 . 1 . . . . 30 ALA CA . 7262 1 174 . 1 1 30 30 ALA CB C 13 18.9 0.5 . 1 . . . . 30 ALA CB . 7262 1 175 . 1 1 30 30 ALA N N 15 124.1 0.5 . 1 . . . . 30 ALA N . 7262 1 176 . 1 1 31 31 GLU H H 1 8.32 0.02 . 1 . . . . 31 GLU H . 7262 1 177 . 1 1 31 31 GLU HA H 1 4.33 0.02 . 1 . . . . 31 GLU HA . 7262 1 178 . 1 1 31 31 GLU HB2 H 1 1.99 0.02 . 2 . . . . 31 GLU HB2 . 7262 1 179 . 1 1 31 31 GLU HB3 H 1 2.12 0.02 . 2 . . . . 31 GLU HB3 . 7262 1 180 . 1 1 31 31 GLU HG2 H 1 2.41 0.02 . 2 . . . . 31 GLU HG2 . 7262 1 181 . 1 1 32 32 GLY H H 1 8.45 0.02 . 1 . . . . 32 GLY H . 7262 1 182 . 1 1 32 32 GLY HA2 H 1 3.96 0.02 . 2 . . . . 32 GLY HA2 . 7262 1 183 . 1 1 33 33 CYS H H 1 8.32 0.02 . 1 . . . . 33 CYS H . 7262 1 184 . 1 1 33 33 CYS HA H 1 4.65 0.02 . 1 . . . . 33 CYS HA . 7262 1 185 . 1 1 33 33 CYS HB2 H 1 3.12 0.02 . 2 . . . . 33 CYS HB2 . 7262 1 186 . 1 1 33 33 CYS CA C 13 55.3 0.5 . 1 . . . . 33 CYS CA . 7262 1 187 . 1 1 33 33 CYS CB C 13 41.5 0.5 . 1 . . . . 33 CYS CB . 7262 1 188 . 1 1 33 33 CYS N N 15 118.7 0.5 . 1 . . . . 33 CYS N . 7262 1 189 . 1 1 34 34 ALA H H 1 8.77 0.02 . 1 . . . . 34 ALA H . 7262 1 190 . 1 1 34 34 ALA HA H 1 4.39 0.02 . 1 . . . . 34 ALA HA . 7262 1 191 . 1 1 34 34 ALA HB1 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1 192 . 1 1 34 34 ALA HB2 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1 193 . 1 1 34 34 ALA HB3 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1 194 . 1 1 34 34 ALA CA C 13 52.6 0.5 . 1 . . . . 34 ALA CA . 7262 1 195 . 1 1 34 34 ALA CB C 13 18.7 0.5 . 1 . . . . 34 ALA CB . 7262 1 196 . 1 1 34 34 ALA N N 15 127.9 0.5 . 1 . . . . 34 ALA N . 7262 1 197 . 1 1 35 35 GLU H H 1 8.05 0.02 . 1 . . . . 35 GLU H . 7262 1 198 . 1 1 35 35 GLU HA H 1 4.32 0.02 . 1 . . . . 35 GLU HA . 7262 1 199 . 1 1 35 35 GLU HB2 H 1 2.01 0.02 . 2 . . . . 35 GLU HB2 . 7262 1 200 . 1 1 35 35 GLU HB3 H 1 2.17 0.02 . 2 . . . . 35 GLU HB3 . 7262 1 201 . 1 1 35 35 GLU HG2 H 1 2.42 0.02 . 2 . . . . 35 GLU HG2 . 7262 1 202 . 1 1 35 35 GLU N N 15 119 0.5 . 1 . . . . 35 GLU N . 7262 1 203 . 1 1 36 36 ALA H H 1 8.61 0.02 . 1 . . . . 36 ALA H . 7262 1 204 . 1 1 36 36 ALA HA H 1 4.17 0.02 . 1 . . . . 36 ALA HA . 7262 1 205 . 1 1 36 36 ALA HB1 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1 206 . 1 1 36 36 ALA HB2 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1 207 . 1 1 36 36 ALA HB3 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1 208 . 1 1 36 36 ALA CA C 13 53.8 0.5 . 1 . . . . 36 ALA CA . 7262 1 209 . 1 1 36 36 ALA CB C 13 18.4 0.5 . 1 . . . . 36 ALA CB . 7262 1 210 . 1 1 36 36 ALA N N 15 124.5 0.5 . 1 . . . . 36 ALA N . 7262 1 211 . 1 1 37 37 GLU H H 1 8.28 0.02 . 1 . . . . 37 GLU H . 7262 1 212 . 1 1 37 37 GLU HA H 1 4.33 0.02 . 1 . . . . 37 GLU HA . 7262 1 213 . 1 1 37 37 GLU HB2 H 1 2.07 0.02 . 2 . . . . 37 GLU HB2 . 7262 1 214 . 1 1 37 37 GLU HB3 H 1 2.188 0.02 . 2 . . . . 37 GLU HB3 . 7262 1 215 . 1 1 37 37 GLU HG2 H 1 2.41 0.02 . 2 . . . . 37 GLU HG2 . 7262 1 216 . 1 1 37 37 GLU N N 15 116.2 0.5 . 1 . . . . 37 GLU N . 7262 1 217 . 1 1 38 38 GLY H H 1 8.18 0.02 . 1 . . . . 38 GLY H . 7262 1 218 . 1 1 38 38 GLY HA2 H 1 4.14 0.02 . 2 . . . . 38 GLY HA2 . 7262 1 219 . 1 1 38 38 GLY HA3 H 1 3.83 0.02 . 2 . . . . 38 GLY HA3 . 7262 1 220 . 1 1 38 38 GLY CA C 13 45.1 0.5 . 1 . . . . 38 GLY CA . 7262 1 221 . 1 1 38 38 GLY N N 15 108.4 0.5 . 1 . . . . 38 GLY N . 7262 1 222 . 1 1 39 39 CYS H H 1 8.17 0.02 . 1 . . . . 39 CYS H . 7262 1 223 . 1 1 39 39 CYS HA H 1 4.62 0.02 . 1 . . . . 39 CYS HA . 7262 1 224 . 1 1 39 39 CYS HB2 H 1 3.19 0.02 . 2 . . . . 39 CYS HB2 . 7262 1 225 . 1 1 39 39 CYS HB3 H 1 3.12 0.02 . 2 . . . . 39 CYS HB3 . 7262 1 226 . 1 1 39 39 CYS CA C 13 56.2 0.5 . 1 . . . . 39 CYS CA . 7262 1 227 . 1 1 39 39 CYS CB C 13 41.4 0.5 . 1 . . . . 39 CYS CB . 7262 1 228 . 1 1 39 39 CYS N N 15 117.8 0.5 . 1 . . . . 39 CYS N . 7262 1 229 . 1 1 40 40 LEU H H 1 8.37 0.02 . 1 . . . . 40 LEU H . 7262 1 230 . 1 1 40 40 LEU HA H 1 4.34 0.02 . 1 . . . . 40 LEU HA . 7262 1 231 . 1 1 40 40 LEU HB2 H 1 1.63 0.02 . 2 . . . . 40 LEU HB2 . 7262 1 232 . 1 1 40 40 LEU HD11 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1 233 . 1 1 40 40 LEU HD12 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1 234 . 1 1 40 40 LEU HD13 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1 235 . 1 1 40 40 LEU HD21 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1 236 . 1 1 40 40 LEU HD22 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1 237 . 1 1 40 40 LEU HD23 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1 238 . 1 1 40 40 LEU N N 15 124.3 0.5 . 1 . . . . 40 LEU N . 7262 1 239 . 1 1 41 41 ARG H H 1 8.36 0.02 . 1 . . . . 41 ARG H . 7262 1 240 . 1 1 41 41 ARG HA H 1 4.35 0.02 . 1 . . . . 41 ARG HA . 7262 1 241 . 1 1 41 41 ARG HB2 H 1 1.82 0.02 . 2 . . . . 41 ARG HB2 . 7262 1 242 . 1 1 41 41 ARG HB3 H 1 1.75 0.02 . 2 . . . . 41 ARG HB3 . 7262 1 243 . 1 1 41 41 ARG HG2 H 1 1.63 0.02 . 2 . . . . 41 ARG HG2 . 7262 1 244 . 1 1 41 41 ARG HD2 H 1 3.19 0.02 . 2 . . . . 41 ARG HD2 . 7262 1 245 . 1 1 41 41 ARG HE H 1 7.28 0.02 . 1 . . . . 41 ARG HE . 7262 1 246 . 1 1 41 41 ARG N N 15 122.5 0.5 . 1 . . . . 41 ARG N . 7262 1 247 . 1 1 42 42 ARG H H 1 8.47 0.02 . 1 . . . . 42 ARG H . 7262 1 248 . 1 1 42 42 ARG HA H 1 4.34 0.02 . 1 . . . . 42 ARG HA . 7262 1 249 . 1 1 42 42 ARG HB2 H 1 1.83 0.02 . 2 . . . . 42 ARG HB2 . 7262 1 250 . 1 1 42 42 ARG HB3 H 1 1.74 0.02 . 2 . . . . 42 ARG HB3 . 7262 1 251 . 1 1 42 42 ARG HG2 H 1 1.64 0.02 . 2 . . . . 42 ARG HG2 . 7262 1 252 . 1 1 42 42 ARG HD2 H 1 3.19 0.02 . 2 . . . . 42 ARG HD2 . 7262 1 253 . 1 1 42 42 ARG HE H 1 7.24 0.02 . 1 . . . . 42 ARG HE . 7262 1 254 . 1 1 42 42 ARG N N 15 123.3 0.5 . 1 . . . . 42 ARG N . 7262 1 255 . 1 1 43 43 GLU H H 1 8.57 0.02 . 1 . . . . 43 GLU H . 7262 1 256 . 1 1 43 43 GLU HA H 1 4.33 0.02 . 1 . . . . 43 GLU HA . 7262 1 257 . 1 1 43 43 GLU HB2 H 1 1.99 0.02 . 2 . . . . 43 GLU HB2 . 7262 1 258 . 1 1 43 43 GLU HB3 H 1 2.09 0.02 . 2 . . . . 43 GLU HB3 . 7262 1 259 . 1 1 43 43 GLU HG2 H 1 2.39 0.02 . 2 . . . . 43 GLU HG2 . 7262 1 260 . 1 1 44 44 GLY H H 1 8.59 0.02 . 1 . . . . 44 GLY H . 7262 1 261 . 1 1 44 44 GLY HA2 H 1 4.01 0.02 . 2 . . . . 44 GLY HA2 . 7262 1 262 . 1 1 44 44 GLY HA3 H 1 3.9 0.02 . 2 . . . . 44 GLY HA3 . 7262 1 263 . 1 1 44 44 GLY N N 15 111.1 0.5 . 1 . . . . 44 GLY N . 7262 1 264 . 1 1 45 45 GLN H H 1 7.95 0.02 . 1 . . . . 45 GLN H . 7262 1 265 . 1 1 45 45 GLN HA H 1 4.21 0.02 . 1 . . . . 45 GLN HA . 7262 1 266 . 1 1 45 45 GLN HB2 H 1 2.14 0.02 . 2 . . . . 45 GLN HB2 . 7262 1 267 . 1 1 45 45 GLN HB3 H 1 1.94 0.02 . 2 . . . . 45 GLN HB3 . 7262 1 268 . 1 1 45 45 GLN HG2 H 1 2.28 0.02 . 2 . . . . 45 GLN HG2 . 7262 1 269 . 1 1 45 45 GLN CA C 13 56.7 0.5 . 1 . . . . 45 GLN CA . 7262 1 270 . 1 1 45 45 GLN CB C 13 30.1 0.5 . 1 . . . . 45 GLN CB . 7262 1 271 . 1 1 45 45 GLN N N 15 124.4 0.5 . 1 . . . . 45 GLN N . 7262 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 7262 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 3 '2D 1H-1H DQF-COSY' 1 $sample_1 isotropic 7262 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 1 $software_1 . . 7262 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 5 5 CYS H H 1 . . 1 1 5 5 CYS HA H 1 . 9.8 . . 0.1 . . . . . . . . . . . 7262 1 2 3JHNHA . 1 1 8 8 CYS H H 1 . . 1 1 8 8 CYS HA H 1 . 8.1 . . 0.1 . . . . . . . . . . . 7262 1 3 3JHNHA . 1 1 12 12 VAL H H 1 . . 1 1 12 12 VAL HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 7262 1 4 3JHNHA . 1 1 16 16 CYS H H 1 . . 1 1 16 16 CYS HA H 1 . 10.0 . . 0.1 . . . . . . . . . . . 7262 1 5 3JHNHA . 1 1 20 20 CYS H H 1 . . 1 1 20 20 CYS HA H 1 . 9.35 . . 0.1 . . . . . . . . . . . 7262 1 6 3JHNHA . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL HA H 1 . 9.5 . . 0.1 . . . . . . . . . . . 7262 1 7 3JHNHA . 1 1 25 25 ASP H H 1 . . 1 1 25 25 ASP HA H 1 . 9.2 . . 0.1 . . . . . . . . . . . 7262 1 8 3JHNHA . 1 1 28 28 SER H H 1 . . 1 1 28 28 SER HA H 1 . 9.2 . . 0.1 . . . . . . . . . . . 7262 1 9 3JHNHA . 1 1 33 33 CYS H H 1 . . 1 1 33 33 CYS HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 7262 1 10 3JHNHA . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 7262 1 11 3JHNHA . 1 1 35 35 GLU H H 1 . . 1 1 35 35 GLU HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 7262 1 12 3JHNHA . 1 1 36 36 ALA H H 1 . . 1 1 36 36 ALA HA H 1 . 10.0 . . 0.1 . . . . . . . . . . . 7262 1 13 3JHNHA . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 7262 1 14 3JHNHA . 1 1 39 39 CYS H H 1 . . 1 1 39 39 CYS HA H 1 . 8.5 . . 0.1 . . . . . . . . . . . 7262 1 15 3JHNHA . 1 1 45 45 GLN H H 1 . . 1 1 45 45 GLN HA H 1 . 8.6 . . 0.1 . . . . . . . . . . . 7262 1 stop_ save_