data_4634 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4634 _Entry.Title ; Structural analysis of multi-functional peptide motifs present in human bifunctional tRNA synthetase: Identification of RNA-binding residues and functional implications for tandem repeats ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-09 _Entry.Accession_date 2001-03-13 _Entry.Last_release_date 2001-05-07 _Entry.Original_release_date 2001-05-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 E.-J. Jeong . . . 4634 2 G.-S. Hwang . . . 4634 3 K. Kim . H. . 4634 4 M. Kim . J. . 4634 5 S. Kim . . . 4634 6 K.-S. Kim . . . 4634 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 1 4634 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 46 4634 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 1 . . 2001-05-07 2000-10-02 original author . 4634 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1FYJ 'BMRB Entry Tracking System' 4634 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4634 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11123902 _Citation.Full_citation . _Citation.Title ; Structural analysis of multi-functional peptide motifs present in human bifunctional tRNA synthetase: Identification of RNA-binding residues and functional implications for tandem repeats ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 39 _Citation.Journal_issue . _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 15775 _Citation.Page_last 15782 _Citation.Year 2000 _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 E.-J. Jeong . . . 4634 1 2 G.-S. Hwang . . . 4634 1 3 K. Kim . H. . 4634 1 4 M. Kim . J. . 4634 1 5 S. Kim . . . 4634 1 6 K.-S. Kim . . . 4634 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID helix-turn-helix 4634 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_tRNA_synthetase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_tRNA_synthetase _Assembly.Entry_ID 4634 _Assembly.ID 1 _Assembly.Name 'Multifunctional aminoacyl-tRNA synthetase(E.C.6.1.1.17)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 6.1.1.17 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4634 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 'Multifunctional aminoacyl-tRNA synthetase' 1 $tRNA_synthetase . . . native . . . . . 4634 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FYJ . . . . . . 4634 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Multifunctional aminoacyl-tRNA synthetase(E.C.6.1.1.17)' system 4634 1 'tRNA synthetase' abbreviation 4634 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tRNA_synthetase _Entity.Sf_category entity _Entity.Sf_framecode tRNA_synthetase _Entity.Entry_ID 4634 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Multifunctional aminoacyl-tRNA synthetase(E.C.6.1.1.17)' _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 ; DSLVLYNRVAVQGDVVRELK AKKAPKEDVDAAVKQLLSLK AEYKEKTGQEYKPGNPP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1FYJ . "Solution Structure Of Multi-Functional Peptide Motif-1 Present In Human Glutamyl-Prolyl Trna Synthetase (Eprs)" . . . . . 100.00 57 100.00 100.00 1.34e-30 . . . . 4634 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Multifunctional aminoacyl-tRNA synthetase(E.C.6.1.1.17)' common 4634 1 'tRNA synthetase' abbreviation 4634 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 . ASP . 4634 1 2 . SER . 4634 1 3 . LEU . 4634 1 4 . VAL . 4634 1 5 . LEU . 4634 1 6 . TYR . 4634 1 7 . ASN . 4634 1 8 . ARG . 4634 1 9 . VAL . 4634 1 10 . ALA . 4634 1 11 . VAL . 4634 1 12 . GLN . 4634 1 13 . GLY . 4634 1 14 . ASP . 4634 1 15 . VAL . 4634 1 16 . VAL . 4634 1 17 . ARG . 4634 1 18 . GLU . 4634 1 19 . LEU . 4634 1 20 . LYS . 4634 1 21 . ALA . 4634 1 22 . LYS . 4634 1 23 . LYS . 4634 1 24 . ALA . 4634 1 25 . PRO . 4634 1 26 . LYS . 4634 1 27 . GLU . 4634 1 28 . ASP . 4634 1 29 . VAL . 4634 1 30 . ASP . 4634 1 31 . ALA . 4634 1 32 . ALA . 4634 1 33 . VAL . 4634 1 34 . LYS . 4634 1 35 . GLN . 4634 1 36 . LEU . 4634 1 37 . LEU . 4634 1 38 . SER . 4634 1 39 . LEU . 4634 1 40 . LYS . 4634 1 41 . ALA . 4634 1 42 . GLU . 4634 1 43 . TYR . 4634 1 44 . LYS . 4634 1 45 . GLU . 4634 1 46 . LYS . 4634 1 47 . THR . 4634 1 48 . GLY . 4634 1 49 . GLN . 4634 1 50 . GLU . 4634 1 51 . TYR . 4634 1 52 . LYS . 4634 1 53 . PRO . 4634 1 54 . GLY . 4634 1 55 . ASN . 4634 1 56 . PRO . 4634 1 57 . PRO . 4634 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 . ASP 1 1 4634 1 . SER 2 2 4634 1 . LEU 3 3 4634 1 . VAL 4 4 4634 1 . LEU 5 5 4634 1 . TYR 6 6 4634 1 . ASN 7 7 4634 1 . ARG 8 8 4634 1 . VAL 9 9 4634 1 . ALA 10 10 4634 1 . VAL 11 11 4634 1 . GLN 12 12 4634 1 . GLY 13 13 4634 1 . ASP 14 14 4634 1 . VAL 15 15 4634 1 . VAL 16 16 4634 1 . ARG 17 17 4634 1 . GLU 18 18 4634 1 . LEU 19 19 4634 1 . LYS 20 20 4634 1 . ALA 21 21 4634 1 . LYS 22 22 4634 1 . LYS 23 23 4634 1 . ALA 24 24 4634 1 . PRO 25 25 4634 1 . LYS 26 26 4634 1 . GLU 27 27 4634 1 . ASP 28 28 4634 1 . VAL 29 29 4634 1 . ASP 30 30 4634 1 . ALA 31 31 4634 1 . ALA 32 32 4634 1 . VAL 33 33 4634 1 . LYS 34 34 4634 1 . GLN 35 35 4634 1 . LEU 36 36 4634 1 . LEU 37 37 4634 1 . SER 38 38 4634 1 . LEU 39 39 4634 1 . LYS 40 40 4634 1 . ALA 41 41 4634 1 . GLU 42 42 4634 1 . TYR 43 43 4634 1 . LYS 44 44 4634 1 . GLU 45 45 4634 1 . LYS 46 46 4634 1 . THR 47 47 4634 1 . GLY 48 48 4634 1 . GLN 49 49 4634 1 . GLU 50 50 4634 1 . TYR 51 51 4634 1 . LYS 52 52 4634 1 . PRO 53 53 4634 1 . GLY 54 54 4634 1 . ASN 55 55 4634 1 . PRO 56 56 4634 1 . PRO 57 57 4634 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 4634 _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 $tRNA_synthetase . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4634 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 4634 _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 $tRNA_synthetase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4634 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4634 _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 'Multifunctional aminoacyl-tRNA synthetase(E.C.6.1.1.17)' [U-15N] . . 1 $tRNA_synthetase . . 2 . . mM . . . . 4634 1 2 H2O . . . . . . . 90 . . % . . . . 4634 1 3 D2O . . . . . . . 10 . . % . . . . 4634 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4634 _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 pH 5.0 . pH 4634 1 pressure 1 . atm 4634 1 temperature 303 . K 4634 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4634 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details Delaglio,F. loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4634 1 stop_ save_ save_pipp _Software.Sf_category software _Software.Sf_framecode pipp _Software.Entry_ID 4634 _Software.ID 2 _Software.Name PIPP _Software.Version 4.2.5 _Software.Details 'Garretr, D.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4634 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4634 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details 'Bunger, A.T.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4634 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4634 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4634 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian UNITY . 600 . . . 4634 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4634 _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 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4634 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4634 1 3 DQF-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4634 1 4 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4634 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_set_1 _Coupling_constant_list.Entry_ID 4634 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_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 . . 1 $sample_1 . 4634 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 2 2 SER H . . . . 1 1 2 2 SER HA . . . 4.71 . . 0.5 . . . . . . . . . . . 4634 1 2 3JHNHA . 1 1 3 3 LEU H . . . . 1 1 3 3 LEU HA . . . 4.83 . . 0.5 . . . . . . . . . . . 4634 1 3 3JHNHA . 1 1 4 4 VAL H . . . . 1 1 4 4 VAL HA . . . 2.73 . . 0.5 . . . . . . . . . . . 4634 1 4 3JHNHA . 1 1 5 5 LEU H . . . . 1 1 5 5 LEU HA . . . 3.51 . . 0.5 . . . . . . . . . . . 4634 1 5 3JHNHA . 1 1 6 6 TYR H . . . . 1 1 6 6 TYR HA . . . 2.97 . . 0.5 . . . . . . . . . . . 4634 1 6 3JHNHA . 1 1 7 7 ASN H . . . . 1 1 7 7 ASN HA . . . 3.65 . . 0.5 . . . . . . . . . . . 4634 1 7 3JHNHA . 1 1 8 8 ARG H . . . . 1 1 8 8 ARG HA . . . 4.18 . . 0.5 . . . . . . . . . . . 4634 1 8 3JHNHA . 1 1 9 9 VAL H . . . . 1 1 9 9 VAL HA . . . 4.70 . . 0.5 . . . . . . . . . . . 4634 1 9 3JHNHA . 1 1 10 10 ALA H . . . . 1 1 10 10 ALA HA . . . 2.78 . . 0.5 . . . . . . . . . . . 4634 1 10 3JHNHA . 1 1 11 11 VAL H . . . . 1 1 11 11 VAL HA . . . 4.23 . . 0.5 . . . . . . . . . . . 4634 1 11 3JHNHA . 1 1 12 12 GLN H . . . . 1 1 12 12 GLN HA . . . 4.25 . . 0.5 . . . . . . . . . . . 4634 1 12 3JHNHA . 1 1 14 14 ASP H . . . . 1 1 14 14 ASP HA . . . 4.68 . . 0.5 . . . . . . . . . . . 4634 1 13 3JHNHA . 1 1 15 15 VAL H . . . . 1 1 15 15 VAL HA . . . 4.17 . . 0.5 . . . . . . . . . . . 4634 1 14 3JHNHA . 1 1 16 16 VAL H . . . . 1 1 16 16 VAL HA . . . 3.56 . . 0.5 . . . . . . . . . . . 4634 1 15 3JHNHA . 1 1 17 17 ARG H . . . . 1 1 17 17 ARG HA . . . 3.48 . . 0.5 . . . . . . . . . . . 4634 1 16 3JHNHA . 1 1 18 18 GLU H . . . . 1 1 18 18 GLU HA . . . 4.51 . . 0.5 . . . . . . . . . . . 4634 1 17 3JHNHA . 1 1 19 19 LEU H . . . . 1 1 19 19 LEU HA . . . 4.16 . . 0.5 . . . . . . . . . . . 4634 1 18 3JHNHA . 1 1 20 20 LYS H . . . . 1 1 20 20 LYS HA . . . 4.21 . . 0.5 . . . . . . . . . . . 4634 1 19 3JHNHA . 1 1 22 22 LYS H . . . . 1 1 22 22 LYS HA . . . 6.98 . . 0.5 . . . . . . . . . . . 4634 1 20 3JHNHA . 1 1 23 23 LYS H . . . . 1 1 23 23 LYS HA . . . 6.41 . . 0.5 . . . . . . . . . . . 4634 1 21 3JHNHA . 1 1 24 24 ALA H . . . . 1 1 24 24 ALA HA . . . 4.02 . . 0.5 . . . . . . . . . . . 4634 1 22 3JHNHA . 1 1 26 26 LYS H . . . . 1 1 26 26 LYS HA . . . 2.16 . . 0.5 . . . . . . . . . . . 4634 1 23 3JHNHA . 1 1 27 27 GLU H . . . . 1 1 27 27 GLU HA . . . 3.17 . . 0.5 . . . . . . . . . . . 4634 1 24 3JHNHA . 1 1 28 28 ASP H . . . . 1 1 28 28 ASP HA . . . 6.42 . . 0.5 . . . . . . . . . . . 4634 1 25 3JHNHA . 1 1 29 29 VAL H . . . . 1 1 29 29 VAL HA . . . 4.82 . . 0.5 . . . . . . . . . . . 4634 1 26 3JHNHA . 1 1 30 30 ASP H . . . . 1 1 30 30 ASP HA . . . 3.20 . . 0.5 . . . . . . . . . . . 4634 1 27 3JHNHA . 1 1 31 31 ALA H . . . . 1 1 31 31 ALA HA . . . 3.59 . . 0.5 . . . . . . . . . . . 4634 1 28 3JHNHA . 1 1 32 32 ALA H . . . . 1 1 32 32 ALA HA . . . 4.74 . . 0.5 . . . . . . . . . . . 4634 1 29 3JHNHA . 1 1 33 33 VAL H . . . . 1 1 33 33 VAL HA . . . 5.12 . . 0.5 . . . . . . . . . . . 4634 1 30 3JHNHA . 1 1 34 34 LYS H . . . . 1 1 34 34 LYS HA . . . 3.28 . . 0.5 . . . . . . . . . . . 4634 1 31 3JHNHA . 1 1 35 35 GLN H . . . . 1 1 35 35 GLN HA . . . 4.53 . . 0.5 . . . . . . . . . . . 4634 1 32 3JHNHA . 1 1 36 36 LEU H . . . . 1 1 36 36 LEU HA . . . 3.09 . . 0.5 . . . . . . . . . . . 4634 1 33 3JHNHA . 1 1 37 37 LEU H . . . . 1 1 37 37 LEU HA . . . 3.19 . . 0.5 . . . . . . . . . . . 4634 1 34 3JHNHA . 1 1 38 38 SER H . . . . 1 1 38 38 SER HA . . . 4.15 . . 0.5 . . . . . . . . . . . 4634 1 35 3JHNHA . 1 1 40 40 LYS H . . . . 1 1 40 40 LYS HA . . . 3.38 . . 0.5 . . . . . . . . . . . 4634 1 36 3JHNHA . 1 1 41 41 ALA H . . . . 1 1 41 41 ALA HA . . . 4.55 . . 0.5 . . . . . . . . . . . 4634 1 37 3JHNHA . 1 1 43 43 TYR H . . . . 1 1 43 43 TYR HA . . . 3.06 . . 0.5 . . . . . . . . . . . 4634 1 38 3JHNHA . 1 1 44 44 LYS H . . . . 1 1 44 44 LYS HA . . . 3.84 . . 0.5 . . . . . . . . . . . 4634 1 39 3JHNHA . 1 1 45 45 GLU H . . . . 1 1 45 45 GLU HA . . . 3.26 . . 0.5 . . . . . . . . . . . 4634 1 40 3JHNHA . 1 1 46 46 LYS H . . . . 1 1 46 46 LYS HA . . . 4.89 . . 0.5 . . . . . . . . . . . 4634 1 41 3JHNHA . 1 1 47 47 THR H . . . . 1 1 47 47 THR HA . . . 7.50 . . 0.5 . . . . . . . . . . . 4634 1 42 3JHNHA . 1 1 49 49 GLN H . . . . 1 1 49 49 GLN HA . . . 8.34 . . 0.5 . . . . . . . . . . . 4634 1 43 3JHNHA . 1 1 50 50 GLU H . . . . 1 1 50 50 GLU HA . . . 5.44 . . 0.5 . . . . . . . . . . . 4634 1 44 3JHNHA . 1 1 51 51 TYR H . . . . 1 1 51 51 TYR HA . . . 3.98 . . 0.5 . . . . . . . . . . . 4634 1 45 3JHNHA . 1 1 52 52 LYS H . . . . 1 1 52 52 LYS HA . . . 4.79 . . 0.5 . . . . . . . . . . . 4634 1 46 3JHNHA . 1 1 55 55 ASN H . . . . 1 1 55 55 ASN HA . . . 8.04 . . 0.5 . . . . . . . . . . . 4634 1 stop_ save_