data_7213 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7213 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Investigation of J1cc in aqueous solution' 'Structure analysis' . 7213 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . mimotope 7213 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7213 _Entry.Title ; Backbone 1H Chemical Shift Assignments for J1cc ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-03 _Entry.Accession_date 2006-07-07 _Entry.Last_release_date 2007-01-09 _Entry.Original_release_date 2007-01-09 _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 Jennifer Sabo . K. . 7213 2 David Keizer . W. . 7213 3 Zhi-Ping Feng . . . 7213 4 Joanne Casey . L. . 7213 5 Kathy Parisi . . . 7213 6 Andrew Coley . M. . 7213 7 Michael Foley . . . 7213 8 Raymond Norton . S. . 7213 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7213 coupling_constants 1 7213 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 115 7213 'coupling constants' 9 7213 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 . . 2007-01-09 2006-07-03 original author . 7213 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7213 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17060469 _Citation.Full_citation . _Citation.Title ; Mimotopes of Apical Membrane Antigen 1: Structures of Phage-Derived Peptides Recognized by the Inhibitory Monoclonal Antibody 4G2dc1 and Design of a More Active Analogue ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Infect. Immun.' _Citation.Journal_name_full . _Citation.Journal_volume 75 _Citation.Journal_issue 1 _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 61 _Citation.Page_last 73 _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 Jennifer Sabo . K. . 7213 1 2 David Keizer . W. . 7213 1 3 Zhi-Ping Feng . . . 7213 1 4 Joanne Casey . L. . 7213 1 5 Kathy Parisi . . . 7213 1 6 Andrew Coley . M. . 7213 1 7 Michael Foley . . . 7213 1 8 Raymond Norton . S. . 7213 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7213 _Assembly.ID 1 _Assembly.Name J1cc _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 . _Assembly.Enzyme_commission_number . _Assembly.Details peptide _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7213 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 J1cc 1 $J1cc_peptide . . yes native no no . . . 7213 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 6 6 SG . 1 . 1 CYS 16 16 SG . . . . . . . . . . 7213 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'antigen mimic' 7213 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_J1cc_peptide _Entity.Sf_category entity _Entity.Sf_framecode J1cc_peptide _Entity.Entry_ID 7213 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name J1cc _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 IPSTACTDIAWVRLPCHY _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 'antigen mimic' 7213 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 . ILE . 7213 1 2 . PRO . 7213 1 3 . SER . 7213 1 4 . THR . 7213 1 5 . ALA . 7213 1 6 . CYS . 7213 1 7 . THR . 7213 1 8 . ASP . 7213 1 9 . ILE . 7213 1 10 . ALA . 7213 1 11 . TRP . 7213 1 12 . VAL . 7213 1 13 . ARG . 7213 1 14 . LEU . 7213 1 15 . PRO . 7213 1 16 . CYS . 7213 1 17 . HIS . 7213 1 18 . TYR . 7213 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 . ILE 1 1 7213 1 . PRO 2 2 7213 1 . SER 3 3 7213 1 . THR 4 4 7213 1 . ALA 5 5 7213 1 . CYS 6 6 7213 1 . THR 7 7 7213 1 . ASP 8 8 7213 1 . ILE 9 9 7213 1 . ALA 10 10 7213 1 . TRP 11 11 7213 1 . VAL 12 12 7213 1 . ARG 13 13 7213 1 . LEU 14 14 7213 1 . PRO 15 15 7213 1 . CYS 16 16 7213 1 . HIS 17 17 7213 1 . TYR 18 18 7213 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 7213 _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 $J1cc_peptide . 10870 . no . 'Enterobacteria phage M13' . . Viruses . Inovirus 'Inovirus Enterobacteria phage' M13 . . . . . . . . . . . . . . . . . . . . 7213 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 7213 _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 $J1cc_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7213 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7213 _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 J1cc . . . 1 $J1cc_peptide . . 1 . . mM . . . . 7213 1 2 'sodium acetate' . . . . . . . 10 . . mM . . . . 7213 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 7213 _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 4.8 0.1 pH 7213 1 temperature 278 0.2 K 7213 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7213 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details ; data collection processing ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 7213 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7213 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details ; peak assignments. C. Bartels et. al., J. Biomol. NMR 1995, 6, 1-10. ; save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7213 _Software.ID 3 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details ; structure solution. T. Herrmann et. al., J. Mol. Biol. 2002, 319, 209-27. ; save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 7213 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details ; refinement. C.D. Schwieters et. al., J. Magn. Reson. 2003, 160, 65-73. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7213 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Bruker Biospin' _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7213 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Bruker Biospin' _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 7213 _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 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7213 1 2 '2D 1H-1H DQF-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7213 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7213 1 stop_ 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 7213 _NMR_spec_expt.ID 1 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 7213 _NMR_spec_expt.ID 2 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 7213 _NMR_spec_expt.ID 3 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 7213 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7213 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 7213 _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 $sample_1 isotropic 7213 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 ILE HA H 1 4.21 0.02 . 1 . . . . 1 ILE HA . 7213 1 2 . 1 1 1 1 ILE HB H 1 2.04 0.02 . 1 . . . . 1 ILE HB . 7213 1 3 . 1 1 1 1 ILE HG12 H 1 1.19 0.02 . 1 . . . . 1 ILE HG12 . 7213 1 4 . 1 1 1 1 ILE HG13 H 1 1.50 0.02 . 1 . . . . 1 ILE HG13 . 7213 1 5 . 1 1 1 1 ILE HG21 H 1 1.07 0.02 . 1 . . . . 1 ILE HG2 . 7213 1 6 . 1 1 1 1 ILE HG22 H 1 1.07 0.02 . 1 . . . . 1 ILE HG2 . 7213 1 7 . 1 1 1 1 ILE HG23 H 1 1.07 0.02 . 1 . . . . 1 ILE HG2 . 7213 1 8 . 1 1 1 1 ILE HD11 H 1 0.91 0.02 . 1 . . . . 1 ILE HD1 . 7213 1 9 . 1 1 1 1 ILE HD12 H 1 0.91 0.02 . 1 . . . . 1 ILE HD1 . 7213 1 10 . 1 1 1 1 ILE HD13 H 1 0.91 0.02 . 1 . . . . 1 ILE HD1 . 7213 1 11 . 1 1 2 2 PRO HA H 1 4.51 0.02 . 1 . . . . 2 PRO HA . 7213 1 12 . 1 1 2 2 PRO HB2 H 1 1.89 0.02 . 2 . . . . 2 PRO HB2 . 7213 1 13 . 1 1 2 2 PRO HB3 H 1 2.35 0.02 . 2 . . . . 2 PRO HB3 . 7213 1 14 . 1 1 2 2 PRO HG3 H 1 2.02 0.02 . 1 . . . . 2 PRO HG3 . 7213 1 15 . 1 1 2 2 PRO HD2 H 1 3.59 0.02 . 2 . . . . 2 PRO HD2 . 7213 1 16 . 1 1 2 2 PRO HD3 H 1 3.78 0.02 . 2 . . . . 2 PRO HD3 . 7213 1 17 . 1 1 3 3 SER H H 1 8.72 0.02 . 1 . . . . 3 SER H . 7213 1 18 . 1 1 3 3 SER HA H 1 4.51 0.02 . 1 . . . . 3 SER HA . 7213 1 19 . 1 1 3 3 SER HB2 H 1 3.86 0.02 . 2 . . . . 3 SER HB2 . 7213 1 20 . 1 1 3 3 SER HB3 H 1 3.94 0.02 . 2 . . . . 3 SER HB3 . 7213 1 21 . 1 1 4 4 THR H H 1 8.30 0.02 . 1 . . . . 4 THR H . 7213 1 22 . 1 1 4 4 THR HA H 1 4.35 0.02 . 1 . . . . 4 THR HA . 7213 1 23 . 1 1 4 4 THR HB H 1 4.27 0.02 . 1 . . . . 4 THR HB . 7213 1 24 . 1 1 4 4 THR HG21 H 1 1.18 0.02 . 1 . . . . 4 THR HG2 . 7213 1 25 . 1 1 4 4 THR HG22 H 1 1.18 0.02 . 1 . . . . 4 THR HG2 . 7213 1 26 . 1 1 4 4 THR HG23 H 1 1.18 0.02 . 1 . . . . 4 THR HG2 . 7213 1 27 . 1 1 5 5 ALA H H 1 8.37 0.02 . 1 . . . . 5 ALA H . 7213 1 28 . 1 1 5 5 ALA HA H 1 4.34 0.02 . 1 . . . . 5 ALA HA . 7213 1 29 . 1 1 5 5 ALA HB1 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 7213 1 30 . 1 1 5 5 ALA HB2 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 7213 1 31 . 1 1 5 5 ALA HB3 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 7213 1 32 . 1 1 6 6 CYS H H 1 8.51 0.02 . 1 . . . . 6 CYS H . 7213 1 33 . 1 1 6 6 CYS HA H 1 4.61 0.02 . 1 . . . . 6 CYS HA . 7213 1 34 . 1 1 6 6 CYS HB2 H 1 2.99 0.02 . 2 . . . . 6 CYS HB2 . 7213 1 35 . 1 1 6 6 CYS HB3 H 1 3.18 0.02 . 2 . . . . 6 CYS HB3 . 7213 1 36 . 1 1 7 7 THR H H 1 8.13 0.02 . 1 . . . . 7 THR H . 7213 1 37 . 1 1 7 7 THR HA H 1 4.35 0.02 . 1 . . . . 7 THR HA . 7213 1 38 . 1 1 7 7 THR HB H 1 4.26 0.02 . 1 . . . . 7 THR HB . 7213 1 39 . 1 1 7 7 THR HG21 H 1 1.18 0.02 . 1 . . . . 7 THR HG2 . 7213 1 40 . 1 1 7 7 THR HG22 H 1 1.18 0.02 . 1 . . . . 7 THR HG2 . 7213 1 41 . 1 1 7 7 THR HG23 H 1 1.18 0.02 . 1 . . . . 7 THR HG2 . 7213 1 42 . 1 1 8 8 ASP H H 1 8.31 0.02 . 1 . . . . 8 ASP H . 7213 1 43 . 1 1 8 8 ASP HA H 1 4.62 0.02 . 1 . . . . 8 ASP HA . 7213 1 44 . 1 1 8 8 ASP HB2 H 1 2.69 0.02 . 2 . . . . 8 ASP HB2 . 7213 1 45 . 1 1 8 8 ASP HB3 H 1 2.74 0.02 . 2 . . . . 8 ASP HB3 . 7213 1 46 . 1 1 9 9 ILE H H 1 8.19 0.02 . 1 . . . . 9 ILE H . 7213 1 47 . 1 1 9 9 ILE HA H 1 4.05 0.02 . 1 . . . . 9 ILE HA . 7213 1 48 . 1 1 9 9 ILE HB H 1 1.82 0.02 . 1 . . . . 9 ILE HB . 7213 1 49 . 1 1 9 9 ILE HG12 H 1 1.18 0.02 . 1 . . . . 9 ILE HG12 . 7213 1 50 . 1 1 9 9 ILE HG13 H 1 1.41 0.02 . 1 . . . . 9 ILE HG13 . 7213 1 51 . 1 1 9 9 ILE HG21 H 1 0.79 0.02 . 1 . . . . 9 ILE HG2 . 7213 1 52 . 1 1 9 9 ILE HG22 H 1 0.79 0.02 . 1 . . . . 9 ILE HG2 . 7213 1 53 . 1 1 9 9 ILE HG23 H 1 0.79 0.02 . 1 . . . . 9 ILE HG2 . 7213 1 54 . 1 1 9 9 ILE HD11 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 7213 1 55 . 1 1 9 9 ILE HD12 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 7213 1 56 . 1 1 9 9 ILE HD13 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 7213 1 57 . 1 1 10 10 ALA H H 1 8.44 0.02 . 1 . . . . 10 ALA H . 7213 1 58 . 1 1 10 10 ALA HA H 1 4.10 0.02 . 1 . . . . 10 ALA HA . 7213 1 59 . 1 1 10 10 ALA HB1 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 7213 1 60 . 1 1 10 10 ALA HB2 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 7213 1 61 . 1 1 10 10 ALA HB3 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 7213 1 62 . 1 1 11 11 TRP H H 1 7.82 0.02 . 1 . . . . 11 TRP H . 7213 1 63 . 1 1 11 11 TRP HA H 1 4.67 0.02 . 1 . . . . 11 TRP HA . 7213 1 64 . 1 1 11 11 TRP HB2 H 1 3.33 0.02 . 2 . . . . 11 TRP HB2 . 7213 1 65 . 1 1 11 11 TRP HB3 H 1 3.45 0.02 . 2 . . . . 11 TRP HB3 . 7213 1 66 . 1 1 11 11 TRP HD1 H 1 7.24 0.02 . 1 . . . . 11 TRP HD1 . 7213 1 67 . 1 1 11 11 TRP HE1 H 1 10.20 0.02 . 1 . . . . 11 TRP HE1 . 7213 1 68 . 1 1 11 11 TRP HE3 H 1 7.58 0.02 . 1 . . . . 11 TRP HE3 . 7213 1 69 . 1 1 11 11 TRP HZ2 H 1 7.48 0.02 . 1 . . . . 11 TRP HZ2 . 7213 1 70 . 1 1 11 11 TRP HZ3 H 1 7.13 0.02 . 1 . . . . 11 TRP HZ3 . 7213 1 71 . 1 1 11 11 TRP HH2 H 1 7.22 0.02 . 1 . . . . 11 TRP HH2 . 7213 1 72 . 1 1 12 12 VAL H H 1 7.57 0.02 . 1 . . . . 12 VAL H . 7213 1 73 . 1 1 12 12 VAL HA H 1 3.88 0.02 . 1 . . . . 12 VAL HA . 7213 1 74 . 1 1 12 12 VAL HB H 1 2.02 0.02 . 1 . . . . 12 VAL HB . 7213 1 75 . 1 1 12 12 VAL HG11 H 1 0.81 0.02 . 1 . . . . 12 VAL HG1 . 7213 1 76 . 1 1 12 12 VAL HG12 H 1 0.81 0.02 . 1 . . . . 12 VAL HG1 . 7213 1 77 . 1 1 12 12 VAL HG13 H 1 0.81 0.02 . 1 . . . . 12 VAL HG1 . 7213 1 78 . 1 1 12 12 VAL HG21 H 1 0.88 0.02 . 1 . . . . 12 VAL HG2 . 7213 1 79 . 1 1 12 12 VAL HG22 H 1 0.88 0.02 . 1 . . . . 12 VAL HG2 . 7213 1 80 . 1 1 12 12 VAL HG23 H 1 0.88 0.02 . 1 . . . . 12 VAL HG2 . 7213 1 81 . 1 1 13 13 ARG H H 1 8.31 0.02 . 1 . . . . 13 ARG H . 7213 1 82 . 1 1 13 13 ARG HA H 1 4.26 0.02 . 1 . . . . 13 ARG HA . 7213 1 83 . 1 1 13 13 ARG HB2 H 1 1.75 0.02 . 2 . . . . 13 ARG HB2 . 7213 1 84 . 1 1 13 13 ARG HB3 H 1 1.89 0.02 . 2 . . . . 13 ARG HB3 . 7213 1 85 . 1 1 13 13 ARG HG3 H 1 1.63 0.02 . 2 . . . . 13 ARG HG3 . 7213 1 86 . 1 1 13 13 ARG HD3 H 1 3.17 0.02 . 1 . . . . 13 ARG HD3 . 7213 1 87 . 1 1 13 13 ARG HE H 1 7.27 0.02 . 1 . . . . 13 ARG HE . 7213 1 88 . 1 1 14 14 LEU H H 1 8.06 0.02 . 1 . . . . 14 LEU H . 7213 1 89 . 1 1 14 14 LEU HA H 1 4.72 0.02 . 1 . . . . 14 LEU HA . 7213 1 90 . 1 1 14 14 LEU HB3 H 1 1.67 0.02 . 1 . . . . 14 LEU HB3 . 7213 1 91 . 1 1 14 14 LEU HG H 1 1.61 0.02 . 1 . . . . 14 LEU HG . 7213 1 92 . 1 1 14 14 LEU HD11 H 1 0.89 0.02 . 1 . . . . 14 LEU HD1 . 7213 1 93 . 1 1 14 14 LEU HD12 H 1 0.89 0.02 . 1 . . . . 14 LEU HD1 . 7213 1 94 . 1 1 14 14 LEU HD13 H 1 0.89 0.02 . 1 . . . . 14 LEU HD1 . 7213 1 95 . 1 1 15 15 PRO HA H 1 4.35 0.02 . 1 . . . . 15 PRO HA . 7213 1 96 . 1 1 15 15 PRO HB2 H 1 1.81 0.02 . 2 . . . . 15 PRO HB2 . 7213 1 97 . 1 1 15 15 PRO HB3 H 1 2.25 0.02 . 2 . . . . 15 PRO HB3 . 7213 1 98 . 1 1 15 15 PRO HG3 H 1 1.98 0.02 . 1 . . . . 15 PRO HG3 . 7213 1 99 . 1 1 15 15 PRO HD2 H 1 3.63 0.02 . 2 . . . . 15 PRO HD2 . 7213 1 100 . 1 1 15 15 PRO HD3 H 1 3.78 0.02 . 2 . . . . 15 PRO HD3 . 7213 1 101 . 1 1 16 16 CYS H H 1 8.46 0.02 . 1 . . . . 16 CYS H . 7213 1 102 . 1 1 16 16 CYS HA H 1 4.46 0.02 . 1 . . . . 16 CYS HA . 7213 1 103 . 1 1 16 16 CYS HB2 H 1 2.97 0.02 . 2 . . . . 16 CYS HB2 . 7213 1 104 . 1 1 16 16 CYS HB3 H 1 3.03 0.02 . 2 . . . . 16 CYS HB3 . 7213 1 105 . 1 1 17 17 HIS H H 1 8.54 0.02 . 1 . . . . 17 HIS H . 7213 1 106 . 1 1 17 17 HIS HA H 1 4.61 0.02 . 1 . . . . 17 HIS HA . 7213 1 107 . 1 1 17 17 HIS HB3 H 1 3.14 0.02 . 1 . . . . 17 HIS HB3 . 7213 1 108 . 1 1 17 17 HIS HD2 H 1 7.11 0.02 . 1 . . . . 17 HIS HD2 . 7213 1 109 . 1 1 17 17 HIS HE1 H 1 8.52 0.02 . 1 . . . . 17 HIS HE1 . 7213 1 110 . 1 1 18 18 TYR H H 1 8.2 0.02 . 1 . . . . 18 TYR H . 7213 1 111 . 1 1 18 18 TYR HA H 1 4.48 0.02 . 1 . . . . 18 TYR HA . 7213 1 112 . 1 1 18 18 TYR HB2 H 1 2.88 0.02 . 2 . . . . 18 TYR HB2 . 7213 1 113 . 1 1 18 18 TYR HB3 H 1 3.05 0.02 . 2 . . . . 18 TYR HB3 . 7213 1 114 . 1 1 18 18 TYR HD1 H 1 7.12 0.02 . 1 . . . . 18 TYR HD1 . 7213 1 115 . 1 1 18 18 TYR HE1 H 1 6.81 0.02 . 1 . . . . 18 TYR HE1 . 7213 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 7213 _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 . . 1 $sample_1 isotropic 7213 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 3 3 SER H . . . . 1 1 3 3 SER HA . . . 6.1 . . 0.1 . . . . . . . . . . . 7213 1 2 3JHNHA . 1 1 4 4 THR H . . . . 1 1 4 4 THR HA . . . 7.5 . . 0.1 . . . . . . . . . . . 7213 1 3 3JHNHA . 1 1 6 6 CYS H . . . . 1 1 6 6 CYS HA . . . 6.2 . . 0.1 . . . . . . . . . . . 7213 1 4 3JHNHA . 1 1 8 8 ASP H . . . . 1 1 8 8 ASP HA . . . 5.8 . . 0.1 . . . . . . . . . . . 7213 1 5 3JHNHA . 1 1 9 9 ILE H . . . . 1 1 9 9 ILE HA . . . 5.6 . . 0.1 . . . . . . . . . . . 7213 1 6 3JHNHA . 1 1 11 11 TRP H . . . . 1 1 11 11 TRP HA . . . 7.3 . . 0.1 . . . . . . . . . . . 7213 1 7 3JHNHA . 1 1 16 16 CYS H . . . . 1 1 16 16 CYS HA . . . 9.6 . . 0.1 . . . . . . . . . . . 7213 1 8 3JHNHA . 1 1 17 17 HIS H . . . . 1 1 17 17 HIS HA . . . 6.4 . . 0.1 . . . . . . . . . . . 7213 1 9 3JHNHA . 1 1 18 18 TYR H . . . . 1 1 18 18 TYR HA . . . 7.6 . . 0.1 . . . . . . . . . . . 7213 1 stop_ save_