data_6562 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6562 _Entry.Title ; A novel cGUUAg tetraloop structure with a conserved yYNMGg-type backbone conformation from cloverleaf 1 of bovine enterovirus 1 RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-18 _Entry.Accession_date 2005-03-21 _Entry.Last_release_date 2005-04-19 _Entry.Original_release_date 2005-04-19 _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 Yvonne Ihle . . . 6562 2 Oliver Ohlenschlager . . . 6562 3 Elke Duchardt . . . 6562 4 Ramadurai Ramachandran . . . 6562 5 Matthias Gorlach . . . 6562 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6562 coupling_constants 1 6562 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 197 6562 '15N chemical shifts' 93 6562 '31P chemical shifts' 16 6562 'coupling constants' 17 6562 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 . . 2005-04-19 2005-03-18 original author . 6562 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Z30 'BMRB Entry Tracking System' 6562 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6562 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15814817 _Citation.Full_citation . _Citation.Title ; A novel cGUUAg tetraloop structure with a conserved yYNMGg-type backbone conformation from cloverleaf 1 of bovine enterovirus 1 RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 6 _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 2003 _Citation.Page_last 2011 _Citation.Year 2005 _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 Yvonne Ihle . . . 6562 1 2 Oliver Ohlenschlager . . . 6562 1 3 Sabine Hafner . . . 6562 1 4 Elke Duchardt . . . 6562 1 5 Martin Zacharias . . . 6562 1 6 Simone Seitz . . . 6562 1 7 Roland Zell . . . 6562 1 8 Ramadurai Ramachandran . . . 6562 1 9 Matthias Gorlach . . . 6562 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'A-form helix' 6562 1 'cGUUAg RNA tetraloop' 6562 1 'cUNCGg-type backbone conformation' 6562 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BEVSLD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BEVSLD _Assembly.Entry_ID 6562 _Assembly.ID 1 _Assembly.Name 'D-loop from cloverleaf 1 of bovine enterovirus 1 RNA' _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 . _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 6562 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 BEVSLDap 1 $BEVSLDap . . . native . . . . . 6562 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 1Z30 . . . . . . 6562 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID BEVSLD abbreviation 6562 1 'D-loop from cloverleaf 1 of bovine enterovirus 1 RNA' system 6562 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BEVSLDap _Entity.Sf_category entity _Entity.Sf_framecode BEVSLDap _Entity.Entry_ID 6562 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'D-loop from cloverleaf 1 of bovine enterovirus 1 RNA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GGCGUUCGUUAGAACGUC _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BEVSLDap abbreviation 6562 1 'D-loop from cloverleaf 1 of bovine enterovirus 1 RNA' common 6562 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 . G . 6562 1 2 . G . 6562 1 3 . C . 6562 1 4 . G . 6562 1 5 . U . 6562 1 6 . U . 6562 1 7 . C . 6562 1 8 . G . 6562 1 9 . U . 6562 1 10 . U . 6562 1 11 . A . 6562 1 12 . G . 6562 1 13 . A . 6562 1 14 . A . 6562 1 15 . C . 6562 1 16 . G . 6562 1 17 . U . 6562 1 18 . C . 6562 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 . G 1 1 6562 1 . G 2 2 6562 1 . C 3 3 6562 1 . G 4 4 6562 1 . U 5 5 6562 1 . U 6 6 6562 1 . C 7 7 6562 1 . G 8 8 6562 1 . U 9 9 6562 1 . U 10 10 6562 1 . A 11 11 6562 1 . G 12 12 6562 1 . A 13 13 6562 1 . A 14 14 6562 1 . C 15 15 6562 1 . G 16 16 6562 1 . U 17 17 6562 1 . C 18 18 6562 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 6562 _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 $BEVSLDap . 12064 . . 'Enterovirus bovine enterovirus 1' 'bovine enterovirus 1' . . Viruses . Enterovirus 'bovine enterovirus 1' 'VG 527' . . . . . . . . . . . . . . . . . . . . 6562 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 6562 _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 $BEVSLDap . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6562 _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 'D-loop from cloverleaf 1 of bovine enterovirus 1 RNA' [U-15N] . . 1 $BEVSLDap . . 1.0 . . mM . . . . 6562 1 2 H2O . . . . . . . 90 . . % . . . . 6562 1 3 D2O . . . . . . . 10 . . % . . . . 6562 1 4 KH2PO4/K2HPO4 . . . . . . . 10 . . mM . . . . 6562 1 5 KCl . . . . . . . 40 . . mM . . . . 6562 1 6 EDTA . . . . . . . 0.2 . . mM . . . . 6562 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6562 _Sample.ID 2 _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 'D-loop from cloverleaf 1 of bovine enterovirus 1 RNA' '[U-13C; U-15N]' . . 1 $BEVSLDap . . 0.9 . . mM . . . . 6562 2 2 H2O . . . . . . . 90 . . % . . . . 6562 2 3 D2O . . . . . . . 10 . . % . . . . 6562 2 4 KH2PO4/K2HPO4 . . . . . . . 10 . . mM . . . . 6562 2 5 KCl . . . . . . . 40 . . mM . . . . 6562 2 6 EDTA . . . . . . . 0.2 . . mM . . . . 6562 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6562 _Sample.ID 3 _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 'D-loop from cloverleaf 1 of bovine enterovirus 1 RNA' '[U-13C; U-15N]' . . 1 $BEVSLDap . . 0.9 . . mM . . . . 6562 3 2 D2O . . . . . . . 99.99 . . % . . . . 6562 3 3 KH2PO4/K2HPO4 . . . . . . . 10 . . mM . . . . 6562 3 4 KCl . . . . . . . 40 . . mM . . . . 6562 3 5 EDTA . . . . . . . 0.2 . . mM . . . . 6562 3 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 6562 _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' 50 . mM 6562 1 pH 6.2 0.2 pH 6562 1 pressure 1 . atm 6562 1 temperature 298 1 K 6562 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6562 _Sample_condition_list.ID 2 _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' 50 . mM 6562 2 pH 6.2 0.2 pH 6562 2 pressure 1 . atm 6562 2 temperature 283 1 K 6562 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6562 _Software.ID 1 _Software.Name VNMR _Software.Version '6.1, rev. c' _Software.Details 'Varian Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6562 1 processing 6562 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6562 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.9 _Software.Details Bartels loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6562 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6562 _Software.ID 3 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details Herrmann loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6562 3 stop_ save_ save_FOUND _Software.Sf_category software _Software.Sf_framecode FOUND _Software.Entry_ID 6562 _Software.ID 4 _Software.Name FOUND _Software.Version 'implemented in CYANA-1.0.6' _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6562 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 6562 _Software.ID 5 _Software.Name OPAL _Software.Version 2.6 _Software.Details Luginbuhl loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6562 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6562 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6562 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 6562 _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 NMR_spectrometer_1 Varian INOVA . 750 . . . 6562 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6562 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 6562 _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,15N)-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 2 (1H,15N)-CPMG-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 3 (1H,1H)-H5(C5C4N)H . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 4 (1H,1H)-HCCNH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 5 '(1H,1H)-HCCH-TOCSY (A)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 6 (1H,1H)-HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 7 (1H,15N)-2bond-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 8 (1H,13C)-H(N)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 9 (1H,13C)-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 10 '3D (1H,1H,13C)-HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 11 '3D (1H,1H,13C)-HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 12 (1H,15N)-HCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 13 '3D (1H,1H,13C)-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 14 (1H,31P)-HCP-CCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 15 (1H,1H)-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 16 HNN-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 17 (1H,13C)-HCCH-E.COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6562 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name (1H,15N)-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 . _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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name (1H,15N)-CPMG-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_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name (1H,1H)-H5(C5C4N)H _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_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name (1H,1H)-HCCNH-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_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '(1H,1H)-HCCH-TOCSY (A)' _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_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name (1H,1H)-HCCH-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_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (1H,15N)-2bond-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 . _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_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (1H,13C)-H(N)CO _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_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name (1H,13C)-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 . _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_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D (1H,1H,13C)-HCCH-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_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D (1H,1H,13C)-HCCH-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_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name (1H,15N)-HCN _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_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D (1H,1H,13C)-NOESY-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 . _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_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name (1H,31P)-HCP-CCH-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_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name (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_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HNN-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_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 6562 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name (1H,13C)-HCCH-E.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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6562 _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 . . . . . . . . . 6562 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6562 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6562 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . . . . . . . 6562 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_chemical_shift_set_25C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_25C _Assigned_chem_shift_list.Entry_ID 6562 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 6562 1 . . 2 $sample_2 . 6562 1 . . 3 $sample_3 . 6562 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 G C5' C 13 65.412 0.400 . 1 . . . . . . . . 6562 1 2 . 1 1 1 1 G H5' H 1 4.268 0.020 . 2 . . . . . . . . 6562 1 3 . 1 1 1 1 G H5'' H 1 4.452 0.020 . 2 . . . . . . . . 6562 1 4 . 1 1 1 1 G C4' C 13 81.814 0.400 . 1 . . . . . . . . 6562 1 5 . 1 1 1 1 G H4' H 1 4.538 0.020 . 1 . . . . . . . . 6562 1 6 . 1 1 1 1 G C3' C 13 72.811 0.400 . 1 . . . . . . . . 6562 1 7 . 1 1 1 1 G H3' H 1 4.685 0.020 . 1 . . . . . . . . 6562 1 8 . 1 1 1 1 G C2' C 13 73.877 0.400 . 1 . . . . . . . . 6562 1 9 . 1 1 1 1 G H2' H 1 4.796 0.020 . 1 . . . . . . . . 6562 1 10 . 1 1 1 1 G C1' C 13 90.834 0.400 . 1 . . . . . . . . 6562 1 11 . 1 1 1 1 G H1' H 1 5.803 0.020 . 1 . . . . . . . . 6562 1 12 . 1 1 1 1 G N9 N 15 170.912 0.400 . 1 . . . . . . . . 6562 1 13 . 1 1 1 1 G N1 N 15 149.850 0.400 . 1 . . . . . . . . 6562 1 14 . 1 1 1 1 G H1 H 1 12.884 0.020 . 1 . . . . . . . . 6562 1 15 . 1 1 1 1 G N7 N 15 231.543 0.400 . 1 . . . . . . . . 6562 1 16 . 1 1 1 1 G C8 C 13 138.039 0.400 . 1 . . . . . . . . 6562 1 17 . 1 1 1 1 G H8 H 1 8.191 0.020 . 1 . . . . . . . . 6562 1 18 . 1 1 2 2 G P P 31 -0.599 0.000 . 1 . . . . . . . . 6562 1 19 . 1 1 2 2 G C5' C 13 64.094 0.400 . 1 . . . . . . . . 6562 1 20 . 1 1 2 2 G H5' H 1 4.204 0.020 . 2 . . . . . . . . 6562 1 21 . 1 1 2 2 G H5'' H 1 4.510 0.020 . 2 . . . . . . . . 6562 1 22 . 1 1 2 2 G C4' C 13 80.795 0.400 . 1 . . . . . . . . 6562 1 23 . 1 1 2 2 G H4' H 1 4.502 0.020 . 1 . . . . . . . . 6562 1 24 . 1 1 2 2 G C3' C 13 71.237 0.400 . 1 . . . . . . . . 6562 1 25 . 1 1 2 2 G H3' H 1 4.499 0.020 . 1 . . . . . . . . 6562 1 26 . 1 1 2 2 G C2' C 13 73.889 0.400 . 1 . . . . . . . . 6562 1 27 . 1 1 2 2 G H2' H 1 4.667 0.020 . 1 . . . . . . . . 6562 1 28 . 1 1 2 2 G C1' C 13 91.874 0.400 . 1 . . . . . . . . 6562 1 29 . 1 1 2 2 G H1' H 1 5.894 0.020 . 1 . . . . . . . . 6562 1 30 . 1 1 2 2 G N9 N 15 171.962 0.400 . 1 . . . . . . . . 6562 1 31 . 1 1 2 2 G N1 N 15 147.172 0.400 . 1 . . . . . . . . 6562 1 32 . 1 1 2 2 G H1 H 1 11.640 0.020 . 1 . . . . . . . . 6562 1 33 . 1 1 2 2 G N7 N 15 233.846 0.400 . 1 . . . . . . . . 6562 1 34 . 1 1 2 2 G C8 C 13 135.647 0.400 . 1 . . . . . . . . 6562 1 35 . 1 1 2 2 G H8 H 1 7.533 0.020 . 1 . . . . . . . . 6562 1 36 . 1 1 3 3 C P P 31 -1.054 0.000 . 1 . . . . . . . . 6562 1 37 . 1 1 3 3 C C5' C 13 62.755 0.400 . 1 . . . . . . . . 6562 1 38 . 1 1 3 3 C H5' H 1 4.080 0.020 . 2 . . . . . . . . 6562 1 39 . 1 1 3 3 C H5'' H 1 4.513 0.020 . 2 . . . . . . . . 6562 1 40 . 1 1 3 3 C C4' C 13 80.275 0.400 . 1 . . . . . . . . 6562 1 41 . 1 1 3 3 C H4' H 1 4.388 0.020 . 1 . . . . . . . . 6562 1 42 . 1 1 3 3 C C3' C 13 70.700 0.400 . 1 . . . . . . . . 6562 1 43 . 1 1 3 3 C H3' H 1 4.539 0.020 . 1 . . . . . . . . 6562 1 44 . 1 1 3 3 C C2' C 13 74.389 0.400 . 1 . . . . . . . . 6562 1 45 . 1 1 3 3 C H2' H 1 4.466 0.020 . 1 . . . . . . . . 6562 1 46 . 1 1 3 3 C C1' C 13 92.165 0.400 . 1 . . . . . . . . 6562 1 47 . 1 1 3 3 C H1' H 1 5.515 0.020 . 1 . . . . . . . . 6562 1 48 . 1 1 3 3 C N1 N 15 152.329 0.400 . 1 . . . . . . . . 6562 1 49 . 1 1 3 3 C N4 N 15 100.405 0.400 . 1 . . . . . . . . 6562 1 50 . 1 1 3 3 C H41 H 1 6.684 0.020 . 2 . . . . . . . . 6562 1 51 . 1 1 3 3 C H42 H 1 8.234 0.020 . 2 . . . . . . . . 6562 1 52 . 1 1 3 3 C C5 C 13 96.643 0.400 . 1 . . . . . . . . 6562 1 53 . 1 1 3 3 C H5 H 1 5.475 0.020 . 1 . . . . . . . . 6562 1 54 . 1 1 3 3 C C6 C 13 138.451 0.400 . 1 . . . . . . . . 6562 1 55 . 1 1 3 3 C H6 H 1 7.677 0.020 . 1 . . . . . . . . 6562 1 56 . 1 1 4 4 G P P 31 -0.498 0.000 . 1 . . . . . . . . 6562 1 57 . 1 1 4 4 G C5' C 13 64.590 0.400 . 1 . . . . . . . . 6562 1 58 . 1 1 4 4 G H5' H 1 4.072 0.020 . 2 . . . . . . . . 6562 1 59 . 1 1 4 4 G H5'' H 1 4.416 0.020 . 2 . . . . . . . . 6562 1 60 . 1 1 4 4 G C4' C 13 80.746 0.400 . 1 . . . . . . . . 6562 1 61 . 1 1 4 4 G H4' H 1 4.451 0.020 . 1 . . . . . . . . 6562 1 62 . 1 1 4 4 G C3' C 13 71.772 0.400 . 1 . . . . . . . . 6562 1 63 . 1 1 4 4 G H3' H 1 4.473 0.020 . 1 . . . . . . . . 6562 1 64 . 1 1 4 4 G C2' C 13 73.877 0.400 . 1 . . . . . . . . 6562 1 65 . 1 1 4 4 G H2' H 1 4.491 0.020 . 1 . . . . . . . . 6562 1 66 . 1 1 4 4 G C1' C 13 91.892 0.400 . 1 . . . . . . . . 6562 1 67 . 1 1 4 4 G H1' H 1 5.692 0.020 . 1 . . . . . . . . 6562 1 68 . 1 1 4 4 G N9 N 15 170.482 0.400 . 1 . . . . . . . . 6562 1 69 . 1 1 4 4 G N1 N 15 148.942 0.400 . 1 . . . . . . . . 6562 1 70 . 1 1 4 4 G H1 H 1 12.835 0.020 . 1 . . . . . . . . 6562 1 71 . 1 1 4 4 G N7 N 15 236.864 0.400 . 1 . . . . . . . . 6562 1 72 . 1 1 4 4 G C8 C 13 134.621 0.400 . 1 . . . . . . . . 6562 1 73 . 1 1 4 4 G H8 H 1 7.468 0.020 . 1 . . . . . . . . 6562 1 74 . 1 1 5 5 U P P 31 -1.424 0.000 . 1 . . . . . . . . 6562 1 75 . 1 1 5 5 U C5' C 13 63.011 0.400 . 1 . . . . . . . . 6562 1 76 . 1 1 5 5 U H5' H 1 4.059 0.020 . 2 . . . . . . . . 6562 1 77 . 1 1 5 5 U H5'' H 1 4.532 0.020 . 2 . . . . . . . . 6562 1 78 . 1 1 5 5 U C4' C 13 80.504 0.400 . 1 . . . . . . . . 6562 1 79 . 1 1 5 5 U H4' H 1 4.398 0.020 . 1 . . . . . . . . 6562 1 80 . 1 1 5 5 U C3' C 13 70.698 0.400 . 1 . . . . . . . . 6562 1 81 . 1 1 5 5 U H3' H 1 4.458 0.020 . 1 . . . . . . . . 6562 1 82 . 1 1 5 5 U C2' C 13 73.864 0.400 . 1 . . . . . . . . 6562 1 83 . 1 1 5 5 U H2' H 1 4.397 0.020 . 1 . . . . . . . . 6562 1 84 . 1 1 5 5 U C1' C 13 92.438 0.400 . 1 . . . . . . . . 6562 1 85 . 1 1 5 5 U H1' H 1 5.515 0.020 . 1 . . . . . . . . 6562 1 86 . 1 1 5 5 U N1 N 15 148.091 0.400 . 1 . . . . . . . . 6562 1 87 . 1 1 5 5 U N3 N 15 164.043 0.400 . 1 . . . . . . . . 6562 1 88 . 1 1 5 5 U H3 H 1 14.283 0.020 . 1 . . . . . . . . 6562 1 89 . 1 1 5 5 U C5 C 13 101.212 0.400 . 1 . . . . . . . . 6562 1 90 . 1 1 5 5 U H5 H 1 5.039 0.020 . 1 . . . . . . . . 6562 1 91 . 1 1 5 5 U C6 C 13 140.473 0.400 . 1 . . . . . . . . 6562 1 92 . 1 1 5 5 U H6 H 1 7.787 0.020 . 1 . . . . . . . . 6562 1 93 . 1 1 6 6 U P P 31 -1.117 0.000 . 1 . . . . . . . . 6562 1 94 . 1 1 6 6 U C5' C 13 63.160 0.400 . 1 . . . . . . . . 6562 1 95 . 1 1 6 6 U H5' H 1 4.066 0.020 . 2 . . . . . . . . 6562 1 96 . 1 1 6 6 U H5'' H 1 4.512 0.020 . 2 . . . . . . . . 6562 1 97 . 1 1 6 6 U C4' C 13 80.623 0.400 . 1 . . . . . . . . 6562 1 98 . 1 1 6 6 U H4' H 1 4.389 0.020 . 1 . . . . . . . . 6562 1 99 . 1 1 6 6 U C3' C 13 70.902 0.400 . 1 . . . . . . . . 6562 1 100 . 1 1 6 6 U H3' H 1 4.465 0.020 . 1 . . . . . . . . 6562 1 101 . 1 1 6 6 U C2' C 13 74.067 0.400 . 1 . . . . . . . . 6562 1 102 . 1 1 6 6 U H2' H 1 4.370 0.020 . 1 . . . . . . . . 6562 1 103 . 1 1 6 6 U C1' C 13 92.155 0.400 . 1 . . . . . . . . 6562 1 104 . 1 1 6 6 U H1' H 1 5.614 0.020 . 1 . . . . . . . . 6562 1 105 . 1 1 6 6 U N1 N 15 148.718 0.400 . 1 . . . . . . . . 6562 1 106 . 1 1 6 6 U N3 N 15 164.119 0.400 . 1 . . . . . . . . 6562 1 107 . 1 1 6 6 U H3 H 1 13.645 0.020 . 1 . . . . . . . . 6562 1 108 . 1 1 6 6 U C5 C 13 101.938 0.400 . 1 . . . . . . . . 6562 1 109 . 1 1 6 6 U H5 H 1 5.523 0.020 . 1 . . . . . . . . 6562 1 110 . 1 1 6 6 U C6 C 13 141.051 0.400 . 1 . . . . . . . . 6562 1 111 . 1 1 6 6 U H6 H 1 7.951 0.020 . 1 . . . . . . . . 6562 1 112 . 1 1 7 7 C P P 31 -0.794 0.000 . 1 . . . . . . . . 6562 1 113 . 1 1 7 7 C C5' C 13 63.829 0.400 . 1 . . . . . . . . 6562 1 114 . 1 1 7 7 C H5' H 1 4.052 0.020 . 2 . . . . . . . . 6562 1 115 . 1 1 7 7 C H5'' H 1 4.424 0.020 . 2 . . . . . . . . 6562 1 116 . 1 1 7 7 C C4' C 13 80.517 0.400 . 1 . . . . . . . . 6562 1 117 . 1 1 7 7 C H4' H 1 4.343 0.020 . 1 . . . . . . . . 6562 1 118 . 1 1 7 7 C C3' C 13 71.241 0.400 . 1 . . . . . . . . 6562 1 119 . 1 1 7 7 C H3' H 1 4.286 0.020 . 1 . . . . . . . . 6562 1 120 . 1 1 7 7 C C2' C 13 74.153 0.400 . 1 . . . . . . . . 6562 1 121 . 1 1 7 7 C H2' H 1 4.480 0.020 . 1 . . . . . . . . 6562 1 122 . 1 1 7 7 C C1' C 13 92.456 0.400 . 1 . . . . . . . . 6562 1 123 . 1 1 7 7 C H1' H 1 5.464 0.020 . 1 . . . . . . . . 6562 1 124 . 1 1 7 7 C N1 N 15 152.474 0.400 . 1 . . . . . . . . 6562 1 125 . 1 1 7 7 C N4 N 15 99.100 0.400 . 1 . . . . . . . . 6562 1 126 . 1 1 7 7 C H41 H 1 6.636 0.020 . 2 . . . . . . . . 6562 1 127 . 1 1 7 7 C H42 H 1 8.046 0.020 . 2 . . . . . . . . 6562 1 128 . 1 1 7 7 C C5 C 13 96.321 0.400 . 1 . . . . . . . . 6562 1 129 . 1 1 7 7 C H5 H 1 5.463 0.020 . 1 . . . . . . . . 6562 1 130 . 1 1 7 7 C C6 C 13 139.505 0.400 . 1 . . . . . . . . 6562 1 131 . 1 1 7 7 C H6 H 1 7.603 0.020 . 1 . . . . . . . . 6562 1 132 . 1 1 8 8 G P P 31 -0.810 0.000 . 1 . . . . . . . . 6562 1 133 . 1 1 8 8 G C5' C 13 64.854 0.400 . 1 . . . . . . . . 6562 1 134 . 1 1 8 8 G H5' H 1 3.997 0.020 . 2 . . . . . . . . 6562 1 135 . 1 1 8 8 G H5'' H 1 4.286 0.020 . 2 . . . . . . . . 6562 1 136 . 1 1 8 8 G C4' C 13 81.581 0.400 . 1 . . . . . . . . 6562 1 137 . 1 1 8 8 G H4' H 1 4.334 0.020 . 1 . . . . . . . . 6562 1 138 . 1 1 8 8 G C3' C 13 73.591 0.400 . 1 . . . . . . . . 6562 1 139 . 1 1 8 8 G H3' H 1 4.378 0.020 . 1 . . . . . . . . 6562 1 140 . 1 1 8 8 G C2' C 13 74.389 0.400 . 1 . . . . . . . . 6562 1 141 . 1 1 8 8 G H2' H 1 4.263 0.020 . 1 . . . . . . . . 6562 1 142 . 1 1 8 8 G C1' C 13 90.589 0.400 . 1 . . . . . . . . 6562 1 143 . 1 1 8 8 G H1' H 1 5.474 0.020 . 1 . . . . . . . . 6562 1 144 . 1 1 8 8 G N9 N 15 170.623 0.400 . 1 . . . . . . . . 6562 1 145 . 1 1 8 8 G N1 N 15 147.792 0.400 . 1 . . . . . . . . 6562 1 146 . 1 1 8 8 G H1 H 1 10.463 0.020 . 1 . . . . . . . . 6562 1 147 . 1 1 8 8 G N7 N 15 238.023 0.400 . 1 . . . . . . . . 6562 1 148 . 1 1 8 8 G C8 C 13 135.637 0.400 . 1 . . . . . . . . 6562 1 149 . 1 1 8 8 G H8 H 1 7.598 0.020 . 1 . . . . . . . . 6562 1 150 . 1 1 9 9 U P P 31 -0.933 0.000 . 1 . . . . . . . . 6562 1 151 . 1 1 9 9 U C5' C 13 65.915 0.400 . 1 . . . . . . . . 6562 1 152 . 1 1 9 9 U H5' H 1 3.846 0.020 . 2 . . . . . . . . 6562 1 153 . 1 1 9 9 U H5'' H 1 4.015 0.020 . 2 . . . . . . . . 6562 1 154 . 1 1 9 9 U C4' C 13 83.672 0.400 . 1 . . . . . . . . 6562 1 155 . 1 1 9 9 U H4' H 1 3.909 0.020 . 1 . . . . . . . . 6562 1 156 . 1 1 9 9 U C3' C 13 75.990 0.400 . 1 . . . . . . . . 6562 1 157 . 1 1 9 9 U H3' H 1 4.227 0.020 . 1 . . . . . . . . 6562 1 158 . 1 1 9 9 U C2' C 13 74.153 0.400 . 1 . . . . . . . . 6562 1 159 . 1 1 9 9 U H2' H 1 4.106 0.020 . 1 . . . . . . . . 6562 1 160 . 1 1 9 9 U C1' C 13 88.462 0.400 . 1 . . . . . . . . 6562 1 161 . 1 1 9 9 U H1' H 1 5.540 0.020 . 1 . . . . . . . . 6562 1 162 . 1 1 9 9 U N1 N 15 144.725 0.400 . 1 . . . . . . . . 6562 1 163 . 1 1 9 9 U C5 C 13 103.360 0.400 . 1 . . . . . . . . 6562 1 164 . 1 1 9 9 U H5 H 1 5.449 0.020 . 1 . . . . . . . . 6562 1 165 . 1 1 9 9 U C6 C 13 141.635 0.400 . 1 . . . . . . . . 6562 1 166 . 1 1 9 9 U H6 H 1 7.556 0.020 . 1 . . . . . . . . 6562 1 167 . 1 1 10 10 U P P 31 -0.815 0.000 . 1 . . . . . . . . 6562 1 168 . 1 1 10 10 U C5' C 13 66.206 0.400 . 1 . . . . . . . . 6562 1 169 . 1 1 10 10 U H5' H 1 3.361 0.020 . 2 . . . . . . . . 6562 1 170 . 1 1 10 10 U H5'' H 1 3.682 0.020 . 2 . . . . . . . . 6562 1 171 . 1 1 10 10 U C4' C 13 83.414 0.400 . 1 . . . . . . . . 6562 1 172 . 1 1 10 10 U H4' H 1 4.042 0.020 . 1 . . . . . . . . 6562 1 173 . 1 1 10 10 U C3' C 13 76.282 0.400 . 1 . . . . . . . . 6562 1 174 . 1 1 10 10 U H3' H 1 4.427 0.020 . 1 . . . . . . . . 6562 1 175 . 1 1 10 10 U C2' C 13 74.686 0.400 . 1 . . . . . . . . 6562 1 176 . 1 1 10 10 U H2' H 1 4.105 0.020 . 1 . . . . . . . . 6562 1 177 . 1 1 10 10 U C1' C 13 88.452 0.400 . 1 . . . . . . . . 6562 1 178 . 1 1 10 10 U H1' H 1 5.666 0.020 . 1 . . . . . . . . 6562 1 179 . 1 1 10 10 U N1 N 15 145.115 0.400 . 1 . . . . . . . . 6562 1 180 . 1 1 10 10 U C5 C 13 103.743 0.400 . 1 . . . . . . . . 6562 1 181 . 1 1 10 10 U H5 H 1 5.628 0.020 . 1 . . . . . . . . 6562 1 182 . 1 1 10 10 U C6 C 13 142.093 0.400 . 1 . . . . . . . . 6562 1 183 . 1 1 10 10 U H6 H 1 7.489 0.020 . 1 . . . . . . . . 6562 1 184 . 1 1 11 11 A P P 31 -0.959 0.000 . 1 . . . . . . . . 6562 1 185 . 1 1 11 11 A C5' C 13 67.004 0.400 . 1 . . . . . . . . 6562 1 186 . 1 1 11 11 A H5' H 1 4.216 0.020 . 2 . . . . . . . . 6562 1 187 . 1 1 11 11 A H5'' H 1 4.319 0.020 . 2 . . . . . . . . 6562 1 188 . 1 1 11 11 A C4' C 13 82.883 0.400 . 1 . . . . . . . . 6562 1 189 . 1 1 11 11 A H4' H 1 4.523 0.020 . 1 . . . . . . . . 6562 1 190 . 1 1 11 11 A C3' C 13 75.722 0.400 . 1 . . . . . . . . 6562 1 191 . 1 1 11 11 A H3' H 1 5.216 0.020 . 1 . . . . . . . . 6562 1 192 . 1 1 11 11 A C2' C 13 75.459 0.400 . 1 . . . . . . . . 6562 1 193 . 1 1 11 11 A H2' H 1 4.765 0.020 . 1 . . . . . . . . 6562 1 194 . 1 1 11 11 A C1' C 13 90.055 0.400 . 1 . . . . . . . . 6562 1 195 . 1 1 11 11 A H1' H 1 6.068 0.020 . 1 . . . . . . . . 6562 1 196 . 1 1 11 11 A N9 N 15 171.641 0.400 . 1 . . . . . . . . 6562 1 197 . 1 1 11 11 A N3 N 15 222.011 0.400 . 1 . . . . . . . . 6562 1 198 . 1 1 11 11 A C2 C 13 153.743 0.400 . 1 . . . . . . . . 6562 1 199 . 1 1 11 11 A H2 H 1 8.017 0.020 . 1 . . . . . . . . 6562 1 200 . 1 1 11 11 A N1 N 15 225.752 0.400 . 1 . . . . . . . . 6562 1 201 . 1 1 11 11 A N7 N 15 231.241 0.400 . 1 . . . . . . . . 6562 1 202 . 1 1 11 11 A C8 C 13 141.494 0.400 . 1 . . . . . . . . 6562 1 203 . 1 1 11 11 A H8 H 1 8.223 0.020 . 1 . . . . . . . . 6562 1 204 . 1 1 12 12 G C5' C 13 68.066 0.400 . 1 . . . . . . . . 6562 1 205 . 1 1 12 12 G H5' H 1 4.295 0.020 . 2 . . . . . . . . 6562 1 206 . 1 1 12 12 G H5'' H 1 4.357 0.020 . 2 . . . . . . . . 6562 1 207 . 1 1 12 12 G C4' C 13 81.831 0.400 . 1 . . . . . . . . 6562 1 208 . 1 1 12 12 G H4' H 1 4.453 0.020 . 1 . . . . . . . . 6562 1 209 . 1 1 12 12 G C3' C 13 73.356 0.400 . 1 . . . . . . . . 6562 1 210 . 1 1 12 12 G H3' H 1 4.369 0.020 . 1 . . . . . . . . 6562 1 211 . 1 1 12 12 G C2' C 13 73.628 0.400 . 1 . . . . . . . . 6562 1 212 . 1 1 12 12 G H2' H 1 4.556 0.020 . 1 . . . . . . . . 6562 1 213 . 1 1 12 12 G C1' C 13 90.575 0.400 . 1 . . . . . . . . 6562 1 214 . 1 1 12 12 G H1' H 1 4.984 0.020 . 1 . . . . . . . . 6562 1 215 . 1 1 12 12 G N9 N 15 170.465 0.400 . 1 . . . . . . . . 6562 1 216 . 1 1 12 12 G N1 N 15 148.481 0.400 . 1 . . . . . . . . 6562 1 217 . 1 1 12 12 G H1 H 1 12.126 0.020 . 1 . . . . . . . . 6562 1 218 . 1 1 12 12 G N7 N 15 235.149 0.400 . 1 . . . . . . . . 6562 1 219 . 1 1 12 12 G C8 C 13 136.328 0.400 . 1 . . . . . . . . 6562 1 220 . 1 1 12 12 G H8 H 1 7.777 0.020 . 1 . . . . . . . . 6562 1 221 . 1 1 13 13 A P P 31 -0.664 0.000 . 1 . . . . . . . . 6562 1 222 . 1 1 13 13 A C5' C 13 64.314 0.400 . 1 . . . . . . . . 6562 1 223 . 1 1 13 13 A H5' H 1 4.143 0.020 . 2 . . . . . . . . 6562 1 224 . 1 1 13 13 A H5'' H 1 4.480 0.020 . 2 . . . . . . . . 6562 1 225 . 1 1 13 13 A C4' C 13 80.776 0.400 . 1 . . . . . . . . 6562 1 226 . 1 1 13 13 A H4' H 1 4.468 0.020 . 1 . . . . . . . . 6562 1 227 . 1 1 13 13 A C3' C 13 71.731 0.400 . 1 . . . . . . . . 6562 1 228 . 1 1 13 13 A H3' H 1 4.609 0.020 . 1 . . . . . . . . 6562 1 229 . 1 1 13 13 A C2' C 13 74.139 0.400 . 1 . . . . . . . . 6562 1 230 . 1 1 13 13 A H2' H 1 4.530 0.020 . 1 . . . . . . . . 6562 1 231 . 1 1 13 13 A C1' C 13 91.644 0.400 . 1 . . . . . . . . 6562 1 232 . 1 1 13 13 A H1' H 1 5.857 0.020 . 1 . . . . . . . . 6562 1 233 . 1 1 13 13 A N9 N 15 172.016 0.400 . 1 . . . . . . . . 6562 1 234 . 1 1 13 13 A N3 N 15 213.755 0.400 . 1 . . . . . . . . 6562 1 235 . 1 1 13 13 A C2 C 13 151.457 0.400 . 1 . . . . . . . . 6562 1 236 . 1 1 13 13 A H2 H 1 7.100 0.020 . 1 . . . . . . . . 6562 1 237 . 1 1 13 13 A N1 N 15 222.721 0.400 . 1 . . . . . . . . 6562 1 238 . 1 1 13 13 A N7 N 15 230.753 0.400 . 1 . . . . . . . . 6562 1 239 . 1 1 13 13 A C8 C 13 138.219 0.400 . 1 . . . . . . . . 6562 1 240 . 1 1 13 13 A H8 H 1 7.753 0.020 . 1 . . . . . . . . 6562 1 241 . 1 1 14 14 A P P 31 -1.010 0.000 . 1 . . . . . . . . 6562 1 242 . 1 1 14 14 A C5' C 13 63.522 0.400 . 1 . . . . . . . . 6562 1 243 . 1 1 14 14 A H5' H 1 4.076 0.020 . 2 . . . . . . . . 6562 1 244 . 1 1 14 14 A H5'' H 1 4.546 0.020 . 2 . . . . . . . . 6562 1 245 . 1 1 14 14 A C4' C 13 80.493 0.400 . 1 . . . . . . . . 6562 1 246 . 1 1 14 14 A H4' H 1 4.437 0.020 . 1 . . . . . . . . 6562 1 247 . 1 1 14 14 A C3' C 13 70.990 0.400 . 1 . . . . . . . . 6562 1 248 . 1 1 14 14 A H3' H 1 4.548 0.020 . 1 . . . . . . . . 6562 1 249 . 1 1 14 14 A C2' C 13 74.377 0.400 . 1 . . . . . . . . 6562 1 250 . 1 1 14 14 A H2' H 1 4.398 0.020 . 1 . . . . . . . . 6562 1 251 . 1 1 14 14 A C1' C 13 91.115 0.400 . 1 . . . . . . . . 6562 1 252 . 1 1 14 14 A H1' H 1 5.861 0.020 . 1 . . . . . . . . 6562 1 253 . 1 1 14 14 A N9 N 15 172.829 0.400 . 1 . . . . . . . . 6562 1 254 . 1 1 14 14 A N3 N 15 213.064 0.400 . 1 . . . . . . . . 6562 1 255 . 1 1 14 14 A C2 C 13 152.403 0.400 . 1 . . . . . . . . 6562 1 256 . 1 1 14 14 A H2 H 1 7.688 0.020 . 1 . . . . . . . . 6562 1 257 . 1 1 14 14 A N1 N 15 223.473 0.400 . 1 . . . . . . . . 6562 1 258 . 1 1 14 14 A N7 N 15 231.321 0.400 . 1 . . . . . . . . 6562 1 259 . 1 1 14 14 A C8 C 13 137.594 0.400 . 1 . . . . . . . . 6562 1 260 . 1 1 14 14 A H8 H 1 7.835 0.020 . 1 . . . . . . . . 6562 1 261 . 1 1 15 15 C P P 31 -0.937 0.000 . 1 . . . . . . . . 6562 1 262 . 1 1 15 15 C C5' C 13 63.291 0.400 . 1 . . . . . . . . 6562 1 263 . 1 1 15 15 C H5' H 1 3.987 0.020 . 2 . . . . . . . . 6562 1 264 . 1 1 15 15 C H5'' H 1 4.423 0.020 . 2 . . . . . . . . 6562 1 265 . 1 1 15 15 C C4' C 13 80.243 0.400 . 1 . . . . . . . . 6562 1 266 . 1 1 15 15 C H4' H 1 4.325 0.020 . 1 . . . . . . . . 6562 1 267 . 1 1 15 15 C C3' C 13 70.980 0.400 . 1 . . . . . . . . 6562 1 268 . 1 1 15 15 C H3' H 1 4.327 0.020 . 1 . . . . . . . . 6562 1 269 . 1 1 15 15 C C2' C 13 74.130 0.400 . 1 . . . . . . . . 6562 1 270 . 1 1 15 15 C H2' H 1 4.382 0.020 . 1 . . . . . . . . 6562 1 271 . 1 1 15 15 C C1' C 13 91.913 0.400 . 1 . . . . . . . . 6562 1 272 . 1 1 15 15 C H1' H 1 5.303 0.020 . 1 . . . . . . . . 6562 1 273 . 1 1 15 15 C N1 N 15 151.698 0.400 . 1 . . . . . . . . 6562 1 274 . 1 1 15 15 C N4 N 15 99.635 0.400 . 1 . . . . . . . . 6562 1 275 . 1 1 15 15 C H41 H 1 6.690 0.020 . 2 . . . . . . . . 6562 1 276 . 1 1 15 15 C H42 H 1 8.137 0.020 . 2 . . . . . . . . 6562 1 277 . 1 1 15 15 C C5 C 13 96.190 0.400 . 1 . . . . . . . . 6562 1 278 . 1 1 15 15 C H5 H 1 5.133 0.020 . 1 . . . . . . . . 6562 1 279 . 1 1 15 15 C C6 C 13 138.524 0.400 . 1 . . . . . . . . 6562 1 280 . 1 1 15 15 C H6 H 1 7.367 0.020 . 1 . . . . . . . . 6562 1 281 . 1 1 16 16 G P P 31 -0.630 0.000 . 1 . . . . . . . . 6562 1 282 . 1 1 16 16 G C5' C 13 64.076 0.400 . 1 . . . . . . . . 6562 1 283 . 1 1 16 16 G H5' H 1 4.010 0.020 . 2 . . . . . . . . 6562 1 284 . 1 1 16 16 G H5'' H 1 4.413 0.020 . 2 . . . . . . . . 6562 1 285 . 1 1 16 16 G C4' C 13 80.762 0.400 . 1 . . . . . . . . 6562 1 286 . 1 1 16 16 G H4' H 1 4.389 0.020 . 1 . . . . . . . . 6562 1 287 . 1 1 16 16 G C3' C 13 71.496 0.400 . 1 . . . . . . . . 6562 1 288 . 1 1 16 16 G H3' H 1 4.327 0.020 . 1 . . . . . . . . 6562 1 289 . 1 1 16 16 G C2' C 13 73.855 0.400 . 1 . . . . . . . . 6562 1 290 . 1 1 16 16 G H2' H 1 4.614 0.020 . 1 . . . . . . . . 6562 1 291 . 1 1 16 16 G C1' C 13 91.893 0.400 . 1 . . . . . . . . 6562 1 292 . 1 1 16 16 G H1' H 1 5.646 0.020 . 1 . . . . . . . . 6562 1 293 . 1 1 16 16 G N9 N 15 171.040 0.400 . 1 . . . . . . . . 6562 1 294 . 1 1 16 16 G N1 N 15 149.577 0.400 . 1 . . . . . . . . 6562 1 295 . 1 1 16 16 G H1 H 1 13.122 0.020 . 1 . . . . . . . . 6562 1 296 . 1 1 16 16 G N7 N 15 238.055 0.400 . 1 . . . . . . . . 6562 1 297 . 1 1 16 16 G C8 C 13 134.417 0.400 . 1 . . . . . . . . 6562 1 298 . 1 1 16 16 G H8 H 1 7.377 0.020 . 1 . . . . . . . . 6562 1 299 . 1 1 17 17 U P P 31 -1.354 0.000 . 1 . . . . . . . . 6562 1 300 . 1 1 17 17 U C5' C 13 62.738 0.400 . 1 . . . . . . . . 6562 1 301 . 1 1 17 17 U H5' H 1 3.999 0.020 . 2 . . . . . . . . 6562 1 302 . 1 1 17 17 U H5'' H 1 4.458 0.020 . 2 . . . . . . . . 6562 1 303 . 1 1 17 17 U C4' C 13 81.287 0.400 . 1 . . . . . . . . 6562 1 304 . 1 1 17 17 U H4' H 1 4.330 0.020 . 1 . . . . . . . . 6562 1 305 . 1 1 17 17 U C3' C 13 70.702 0.400 . 1 . . . . . . . . 6562 1 306 . 1 1 17 17 U H3' H 1 4.457 0.020 . 1 . . . . . . . . 6562 1 307 . 1 1 17 17 U C2' C 13 74.398 0.400 . 1 . . . . . . . . 6562 1 308 . 1 1 17 17 U H2' H 1 4.018 0.020 . 1 . . . . . . . . 6562 1 309 . 1 1 17 17 U C1' C 13 92.961 0.400 . 1 . . . . . . . . 6562 1 310 . 1 1 17 17 U H1' H 1 5.472 0.020 . 1 . . . . . . . . 6562 1 311 . 1 1 17 17 U N1 N 15 147.265 0.400 . 1 . . . . . . . . 6562 1 312 . 1 1 17 17 U N3 N 15 160.449 0.400 . 1 . . . . . . . . 6562 1 313 . 1 1 17 17 U H3 H 1 12.226 0.020 . 1 . . . . . . . . 6562 1 314 . 1 1 17 17 U C5 C 13 102.341 0.400 . 1 . . . . . . . . 6562 1 315 . 1 1 17 17 U H5 H 1 5.360 0.020 . 1 . . . . . . . . 6562 1 316 . 1 1 17 17 U C6 C 13 139.301 0.400 . 1 . . . . . . . . 6562 1 317 . 1 1 17 17 U H6 H 1 7.719 0.020 . 1 . . . . . . . . 6562 1 318 . 1 1 18 18 C P P 31 -1.272 0.000 . 1 . . . . . . . . 6562 1 319 . 1 1 18 18 C C5' C 13 64.336 0.400 . 1 . . . . . . . . 6562 1 320 . 1 1 18 18 C H5' H 1 4.048 0.020 . 2 . . . . . . . . 6562 1 321 . 1 1 18 18 C H5'' H 1 4.521 0.020 . 2 . . . . . . . . 6562 1 322 . 1 1 18 18 C C4' C 13 83.944 0.400 . 1 . . . . . . . . 6562 1 323 . 1 1 18 18 C H4' H 1 4.325 0.020 . 1 . . . . . . . . 6562 1 324 . 1 1 18 18 C C3' C 13 76.527 0.400 . 1 . . . . . . . . 6562 1 325 . 1 1 18 18 C H3' H 1 4.957 0.020 . 1 . . . . . . . . 6562 1 326 . 1 1 18 18 C C2' C 13 83.433 0.400 . 1 . . . . . . . . 6562 1 327 . 1 1 18 18 C H2' H 1 4.622 0.020 . 1 . . . . . . . . 6562 1 328 . 1 1 18 18 C C1' C 13 90.058 0.400 . 1 . . . . . . . . 6562 1 329 . 1 1 18 18 C H1' H 1 6.150 0.020 . 1 . . . . . . . . 6562 1 330 . 1 1 18 18 C N1 N 15 152.594 0.400 . 1 . . . . . . . . 6562 1 331 . 1 1 18 18 C N4 N 15 100.418 0.400 . 1 . . . . . . . . 6562 1 332 . 1 1 18 18 C H41 H 1 6.946 0.020 . 2 . . . . . . . . 6562 1 333 . 1 1 18 18 C H42 H 1 8.555 0.020 . 2 . . . . . . . . 6562 1 334 . 1 1 18 18 C C5 C 13 97.440 0.400 . 1 . . . . . . . . 6562 1 335 . 1 1 18 18 C H5 H 1 5.628 0.020 . 1 . . . . . . . . 6562 1 336 . 1 1 18 18 C C6 C 13 141.625 0.400 . 1 . . . . . . . . 6562 1 337 . 1 1 18 18 C H6 H 1 7.514 0.020 . 1 . . . . . . . . 6562 1 stop_ save_ save_chemical_shift_set_10C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_10C _Assigned_chem_shift_list.Entry_ID 6562 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 6562 2 . . 2 $sample_2 . 6562 2 . . 3 $sample_3 . 6562 2 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 G C2' C 13 73.459 0.400 . 1 . . . . . . . . 6562 2 2 . 1 1 1 1 G H2' H 1 4.620 0.020 . 1 . . . . . . . . 6562 2 3 . 1 1 1 1 G C1' C 13 91.040 0.400 . 1 . . . . . . . . 6562 2 4 . 1 1 1 1 G H1' H 1 5.633 0.020 . 1 . . . . . . . . 6562 2 5 . 1 1 1 1 G N9 N 15 170.740 0.400 . 1 . . . . . . . . 6562 2 6 . 1 1 1 1 G C2 C 13 154.520 0.400 . 1 . . . . . . . . 6562 2 7 . 1 1 1 1 G N1 N 15 149.882 0.400 . 1 . . . . . . . . 6562 2 8 . 1 1 1 1 G H1 H 1 12.822 0.020 . 1 . . . . . . . . 6562 2 9 . 1 1 1 1 G C6 C 13 161.165 0.400 . 1 . . . . . . . . 6562 2 10 . 1 1 1 1 G N7 N 15 231.172 0.400 . 1 . . . . . . . . 6562 2 11 . 1 1 1 1 G H8 H 1 8.030 0.020 . 1 . . . . . . . . 6562 2 12 . 1 1 2 2 G C2' C 13 73.639 0.400 . 1 . . . . . . . . 6562 2 13 . 1 1 2 2 G H2' H 1 4.488 0.020 . 1 . . . . . . . . 6562 2 14 . 1 1 2 2 G C1' C 13 91.331 0.400 . 1 . . . . . . . . 6562 2 15 . 1 1 2 2 G H1' H 1 5.735 0.020 . 1 . . . . . . . . 6562 2 16 . 1 1 2 2 G N9 N 15 171.842 0.400 . 1 . . . . . . . . 6562 2 17 . 1 1 2 2 G C2 C 13 154.298 0.400 . 1 . . . . . . . . 6562 2 18 . 1 1 2 2 G N2 N 15 74.598 0.400 . 1 . . . . . . . . 6562 2 19 . 1 1 2 2 G H21 H 1 6.107 0.020 . 2 . . . . . . . . 6562 2 20 . 1 1 2 2 G N1 N 15 147.107 0.400 . 1 . . . . . . . . 6562 2 21 . 1 1 2 2 G H1 H 1 11.587 0.020 . 1 . . . . . . . . 6562 2 22 . 1 1 2 2 G C6 C 13 159.808 0.400 . 1 . . . . . . . . 6562 2 23 . 1 1 2 2 G N7 N 15 233.497 0.400 . 1 . . . . . . . . 6562 2 24 . 1 1 2 2 G H8 H 1 7.360 0.020 . 1 . . . . . . . . 6562 2 25 . 1 1 3 3 C C5' C 13 62.389 0.400 . 1 . . . . . . . . 6562 2 26 . 1 1 3 3 C H5' H 1 3.911 0.020 . 2 . . . . . . . . 6562 2 27 . 1 1 3 3 C H5'' H 1 4.351 0.020 . 2 . . . . . . . . 6562 2 28 . 1 1 3 3 C C3' C 13 70.219 0.400 . 1 . . . . . . . . 6562 2 29 . 1 1 3 3 C H3' H 1 4.359 0.020 . 1 . . . . . . . . 6562 2 30 . 1 1 3 3 C C1' C 13 91.804 0.400 . 1 . . . . . . . . 6562 2 31 . 1 1 3 3 C H1' H 1 5.336 0.020 . 1 . . . . . . . . 6562 2 32 . 1 1 3 3 C N3 N 15 198.276 0.400 . 1 . . . . . . . . 6562 2 33 . 1 1 3 3 C N4 N 15 100.407 0.400 . 1 . . . . . . . . 6562 2 34 . 1 1 3 3 C H41 H 1 6.701 0.020 . 2 . . . . . . . . 6562 2 35 . 1 1 3 3 C H42 H 1 8.110 0.020 . 2 . . . . . . . . 6562 2 36 . 1 1 3 3 C C5 C 13 96.540 0.400 . 1 . . . . . . . . 6562 2 37 . 1 1 3 3 C H5 H 1 5.330 0.020 . 1 . . . . . . . . 6562 2 38 . 1 1 4 4 G C3' C 13 71.186 0.400 . 1 . . . . . . . . 6562 2 39 . 1 1 4 4 G H3' H 1 4.346 0.020 . 1 . . . . . . . . 6562 2 40 . 1 1 4 4 G C1' C 13 91.443 0.400 . 1 . . . . . . . . 6562 2 41 . 1 1 4 4 G H1' H 1 5.523 0.020 . 1 . . . . . . . . 6562 2 42 . 1 1 4 4 G N9 N 15 170.309 0.400 . 1 . . . . . . . . 6562 2 43 . 1 1 4 4 G C2 C 13 154.788 0.400 . 1 . . . . . . . . 6562 2 44 . 1 1 4 4 G N2 N 15 76.151 0.400 . 1 . . . . . . . . 6562 2 45 . 1 1 4 4 G H21 H 1 5.887 0.020 . 2 . . . . . . . . 6562 2 46 . 1 1 4 4 G H22 H 1 8.059 0.020 . 2 . . . . . . . . 6562 2 47 . 1 1 4 4 G N1 N 15 148.875 0.400 . 1 . . . . . . . . 6562 2 48 . 1 1 4 4 G H1 H 1 12.720 0.020 . 1 . . . . . . . . 6562 2 49 . 1 1 4 4 G C6 C 13 159.876 0.400 . 1 . . . . . . . . 6562 2 50 . 1 1 4 4 G N7 N 15 236.695 0.400 . 1 . . . . . . . . 6562 2 51 . 1 1 4 4 G H8 H 1 7.316 0.020 . 1 . . . . . . . . 6562 2 52 . 1 1 5 5 U C5' C 13 62.522 0.400 . 1 . . . . . . . . 6562 2 53 . 1 1 5 5 U H5' H 1 3.879 0.020 . 2 . . . . . . . . 6562 2 54 . 1 1 5 5 U H5'' H 1 4.380 0.020 . 2 . . . . . . . . 6562 2 55 . 1 1 5 5 U C1' C 13 92.115 0.400 . 1 . . . . . . . . 6562 2 56 . 1 1 5 5 U H1' H 1 5.340 0.020 . 1 . . . . . . . . 6562 2 57 . 1 1 5 5 U C2 C 13 151.293 0.400 . 1 . . . . . . . . 6562 2 58 . 1 1 5 5 U N3 N 15 164.039 0.400 . 1 . . . . . . . . 6562 2 59 . 1 1 5 5 U H3 H 1 14.199 0.020 . 1 . . . . . . . . 6562 2 60 . 1 1 5 5 U C4 C 13 167.273 0.400 . 1 . . . . . . . . 6562 2 61 . 1 1 5 5 U C5 C 13 100.744 0.400 . 1 . . . . . . . . 6562 2 62 . 1 1 5 5 U H5 H 1 4.869 0.020 . 1 . . . . . . . . 6562 2 63 . 1 1 6 6 U C5' C 13 62.736 0.400 . 1 . . . . . . . . 6562 2 64 . 1 1 6 6 U H5' H 1 3.883 0.020 . 2 . . . . . . . . 6562 2 65 . 1 1 6 6 U H5'' H 1 4.338 0.020 . 2 . . . . . . . . 6562 2 66 . 1 1 6 6 U C1' C 13 91.808 0.400 . 1 . . . . . . . . 6562 2 67 . 1 1 6 6 U H1' H 1 5.451 0.020 . 1 . . . . . . . . 6562 2 68 . 1 1 6 6 U C2 C 13 151.060 0.400 . 1 . . . . . . . . 6562 2 69 . 1 1 6 6 U N3 N 15 164.146 0.400 . 1 . . . . . . . . 6562 2 70 . 1 1 6 6 U H3 H 1 13.552 0.020 . 1 . . . . . . . . 6562 2 71 . 1 1 6 6 U C4 C 13 167.476 0.400 . 1 . . . . . . . . 6562 2 72 . 1 1 6 6 U C5 C 13 101.512 0.400 . 1 . . . . . . . . 6562 2 73 . 1 1 6 6 U H5 H 1 5.366 0.020 . 1 . . . . . . . . 6562 2 74 . 1 1 7 7 C C3' C 13 70.929 0.400 . 1 . . . . . . . . 6562 2 75 . 1 1 7 7 C H3' H 1 4.106 0.020 . 1 . . . . . . . . 6562 2 76 . 1 1 7 7 C C1' C 13 92.251 0.400 . 1 . . . . . . . . 6562 2 77 . 1 1 7 7 C H1' H 1 5.280 0.020 . 1 . . . . . . . . 6562 2 78 . 1 1 7 7 C N3 N 15 197.402 0.400 . 1 . . . . . . . . 6562 2 79 . 1 1 7 7 C N4 N 15 99.187 0.400 . 1 . . . . . . . . 6562 2 80 . 1 1 7 7 C H41 H 1 6.617 0.020 . 2 . . . . . . . . 6562 2 81 . 1 1 7 7 C H42 H 1 7.931 0.020 . 2 . . . . . . . . 6562 2 82 . 1 1 7 7 C C5 C 13 96.203 0.400 . 1 . . . . . . . . 6562 2 83 . 1 1 7 7 C H5 H 1 5.292 0.020 . 1 . . . . . . . . 6562 2 84 . 1 1 8 8 G C5' C 13 64.288 0.400 . 1 . . . . . . . . 6562 2 85 . 1 1 8 8 G H5' H 1 3.826 0.020 . 2 . . . . . . . . 6562 2 86 . 1 1 8 8 G H5'' H 1 4.129 0.020 . 2 . . . . . . . . 6562 2 87 . 1 1 8 8 G C4' C 13 81.135 0.400 . 1 . . . . . . . . 6562 2 88 . 1 1 8 8 G H4' H 1 4.158 0.020 . 1 . . . . . . . . 6562 2 89 . 1 1 8 8 G C2' C 13 74.009 0.400 . 1 . . . . . . . . 6562 2 90 . 1 1 8 8 G H2' H 1 4.049 0.020 . 1 . . . . . . . . 6562 2 91 . 1 1 8 8 G C1' C 13 90.525 0.400 . 1 . . . . . . . . 6562 2 92 . 1 1 8 8 G H1' H 1 5.301 0.020 . 1 . . . . . . . . 6562 2 93 . 1 1 8 8 G N9 N 15 170.482 0.400 . 1 . . . . . . . . 6562 2 94 . 1 1 8 8 G C2 C 13 154.555 0.400 . 1 . . . . . . . . 6562 2 95 . 1 1 8 8 G N1 N 15 147.812 0.400 . 1 . . . . . . . . 6562 2 96 . 1 1 8 8 G H1 H 1 10.438 0.020 . 1 . . . . . . . . 6562 2 97 . 1 1 8 8 G C6 C 13 159.265 0.400 . 1 . . . . . . . . 6562 2 98 . 1 1 8 8 G N7 N 15 237.827 0.400 . 1 . . . . . . . . 6562 2 99 . 1 1 8 8 G H8 H 1 7.451 0.020 . 1 . . . . . . . . 6562 2 100 . 1 1 9 9 U C5' C 13 65.418 0.400 . 1 . . . . . . . . 6562 2 101 . 1 1 9 9 U H5' H 1 3.671 0.020 . 2 . . . . . . . . 6562 2 102 . 1 1 9 9 U H5'' H 1 3.866 0.020 . 2 . . . . . . . . 6562 2 103 . 1 1 9 9 U C4' C 13 83.245 0.400 . 1 . . . . . . . . 6562 2 104 . 1 1 9 9 U H4' H 1 3.735 0.020 . 1 . . . . . . . . 6562 2 105 . 1 1 9 9 U C3' C 13 75.564 0.400 . 1 . . . . . . . . 6562 2 106 . 1 1 9 9 U H3' H 1 4.014 0.020 . 1 . . . . . . . . 6562 2 107 . 1 1 9 9 U C2' C 13 73.844 0.400 . 1 . . . . . . . . 6562 2 108 . 1 1 9 9 U H2' H 1 3.957 0.020 . 1 . . . . . . . . 6562 2 109 . 1 1 9 9 U C1' C 13 88.212 0.400 . 1 . . . . . . . . 6562 2 110 . 1 1 9 9 U H1' H 1 5.366 0.020 . 1 . . . . . . . . 6562 2 111 . 1 1 9 9 U C5 C 13 102.940 0.400 . 1 . . . . . . . . 6562 2 112 . 1 1 9 9 U H5 H 1 5.269 0.020 . 1 . . . . . . . . 6562 2 113 . 1 1 10 10 U C5' C 13 65.839 0.400 . 1 . . . . . . . . 6562 2 114 . 1 1 10 10 U H5' H 1 3.133 0.020 . 2 . . . . . . . . 6562 2 115 . 1 1 10 10 U H5'' H 1 3.492 0.020 . 2 . . . . . . . . 6562 2 116 . 1 1 10 10 U C4' C 13 82.987 0.400 . 1 . . . . . . . . 6562 2 117 . 1 1 10 10 U H4' H 1 3.852 0.020 . 1 . . . . . . . . 6562 2 118 . 1 1 10 10 U C3' C 13 76.105 0.400 . 1 . . . . . . . . 6562 2 119 . 1 1 10 10 U H3' H 1 4.242 0.020 . 1 . . . . . . . . 6562 2 120 . 1 1 10 10 U C2' C 13 74.579 0.400 . 1 . . . . . . . . 6562 2 121 . 1 1 10 10 U H2' H 1 3.928 0.020 . 1 . . . . . . . . 6562 2 122 . 1 1 10 10 U C1' C 13 88.073 0.400 . 1 . . . . . . . . 6562 2 123 . 1 1 10 10 U H1' H 1 5.493 0.020 . 1 . . . . . . . . 6562 2 124 . 1 1 10 10 U C5 C 13 103.290 0.400 . 1 . . . . . . . . 6562 2 125 . 1 1 10 10 U H5 H 1 5.439 0.020 . 1 . . . . . . . . 6562 2 126 . 1 1 11 11 A C5' C 13 66.685 0.400 . 1 . . . . . . . . 6562 2 127 . 1 1 11 11 A H5' H 1 4.056 0.020 . 2 . . . . . . . . 6562 2 128 . 1 1 11 11 A H5'' H 1 4.190 0.020 . 2 . . . . . . . . 6562 2 129 . 1 1 11 11 A C4' C 13 82.314 0.400 . 1 . . . . . . . . 6562 2 130 . 1 1 11 11 A H4' H 1 4.355 0.020 . 1 . . . . . . . . 6562 2 131 . 1 1 11 11 A N9 N 15 171.643 0.400 . 1 . . . . . . . . 6562 2 132 . 1 1 11 11 A N3 N 15 221.932 0.400 . 1 . . . . . . . . 6562 2 133 . 1 1 11 11 A H2 H 1 7.840 0.020 . 1 . . . . . . . . 6562 2 134 . 1 1 11 11 A N1 N 15 225.144 0.400 . 1 . . . . . . . . 6562 2 135 . 1 1 11 11 A N7 N 15 230.803 0.400 . 1 . . . . . . . . 6562 2 136 . 1 1 11 11 A H8 H 1 8.058 0.020 . 1 . . . . . . . . 6562 2 137 . 1 1 12 12 G C5' C 13 67.906 0.400 . 1 . . . . . . . . 6562 2 138 . 1 1 12 12 G H5' H 1 4.122 0.020 . 2 . . . . . . . . 6562 2 139 . 1 1 12 12 G H5'' H 1 4.198 0.020 . 2 . . . . . . . . 6562 2 140 . 1 1 12 12 G C4' C 13 81.428 0.400 . 1 . . . . . . . . 6562 2 141 . 1 1 12 12 G H4' H 1 4.267 0.020 . 1 . . . . . . . . 6562 2 142 . 1 1 12 12 G N9 N 15 170.220 0.400 . 1 . . . . . . . . 6562 2 143 . 1 1 12 12 G C2 C 13 154.287 0.400 . 1 . . . . . . . . 6562 2 144 . 1 1 12 12 G N2 N 15 76.561 0.400 . 1 . . . . . . . . 6562 2 145 . 1 1 12 12 G N1 N 15 148.365 0.400 . 1 . . . . . . . . 6562 2 146 . 1 1 12 12 G H1 H 1 12.012 0.020 . 1 . . . . . . . . 6562 2 147 . 1 1 12 12 G C6 C 13 159.910 0.400 . 1 . . . . . . . . 6562 2 148 . 1 1 12 12 G N7 N 15 234.859 0.400 . 1 . . . . . . . . 6562 2 149 . 1 1 12 12 G H8 H 1 7.593 0.020 . 1 . . . . . . . . 6562 2 150 . 1 1 13 13 A C3' C 13 71.022 0.400 . 1 . . . . . . . . 6562 2 151 . 1 1 13 13 A H3' H 1 4.473 0.020 . 1 . . . . . . . . 6562 2 152 . 1 1 13 13 A C1' C 13 91.331 0.400 . 1 . . . . . . . . 6562 2 153 . 1 1 13 13 A H1' H 1 5.685 0.020 . 1 . . . . . . . . 6562 2 154 . 1 1 13 13 A N9 N 15 171.902 0.400 . 1 . . . . . . . . 6562 2 155 . 1 1 13 13 A N3 N 15 213.128 0.400 . 1 . . . . . . . . 6562 2 156 . 1 1 13 13 A H2 H 1 6.917 0.020 . 1 . . . . . . . . 6562 2 157 . 1 1 13 13 A N1 N 15 222.389 0.400 . 1 . . . . . . . . 6562 2 158 . 1 1 13 13 A N6 N 15 85.176 0.400 . 1 . . . . . . . . 6562 2 159 . 1 1 13 13 A H61 H 1 6.402 0.020 . 2 . . . . . . . . 6562 2 160 . 1 1 13 13 A H62 H 1 7.712 0.020 . 2 . . . . . . . . 6562 2 161 . 1 1 13 13 A N7 N 15 230.611 0.400 . 1 . . . . . . . . 6562 2 162 . 1 1 13 13 A H8 H 1 7.588 0.020 . 1 . . . . . . . . 6562 2 163 . 1 1 14 14 A C5' C 13 62.878 0.400 . 1 . . . . . . . . 6562 2 164 . 1 1 14 14 A H5' H 1 3.905 0.020 . 2 . . . . . . . . 6562 2 165 . 1 1 14 14 A H5'' H 1 4.406 0.020 . 2 . . . . . . . . 6562 2 166 . 1 1 14 14 A C1' C 13 90.718 0.400 . 1 . . . . . . . . 6562 2 167 . 1 1 14 14 A H1' H 1 5.715 0.020 . 1 . . . . . . . . 6562 2 168 . 1 1 14 14 A N9 N 15 172.767 0.400 . 1 . . . . . . . . 6562 2 169 . 1 1 14 14 A N3 N 15 212.400 0.400 . 1 . . . . . . . . 6562 2 170 . 1 1 14 14 A H2 H 1 7.510 0.020 . 1 . . . . . . . . 6562 2 171 . 1 1 14 14 A N1 N 15 223.230 0.400 . 1 . . . . . . . . 6562 2 172 . 1 1 14 14 A N6 N 15 87.301 0.400 . 1 . . . . . . . . 6562 2 173 . 1 1 14 14 A H61 H 1 6.478 0.020 . 2 . . . . . . . . 6562 2 174 . 1 1 14 14 A H62 H 1 7.960 0.020 . 2 . . . . . . . . 6562 2 175 . 1 1 14 14 A N7 N 15 231.225 0.400 . 1 . . . . . . . . 6562 2 176 . 1 1 14 14 A H8 H 1 7.686 0.020 . 1 . . . . . . . . 6562 2 177 . 1 1 15 15 C C5' C 13 62.790 0.400 . 1 . . . . . . . . 6562 2 178 . 1 1 15 15 C H5' H 1 3.822 0.020 . 2 . . . . . . . . 6562 2 179 . 1 1 15 15 C H5'' H 1 4.271 0.020 . 2 . . . . . . . . 6562 2 180 . 1 1 15 15 C C1' C 13 91.533 0.400 . 1 . . . . . . . . 6562 2 181 . 1 1 15 15 C H1' H 1 5.137 0.020 . 1 . . . . . . . . 6562 2 182 . 1 1 15 15 C N3 N 15 198.349 0.400 . 1 . . . . . . . . 6562 2 183 . 1 1 15 15 C N4 N 15 99.674 0.400 . 1 . . . . . . . . 6562 2 184 . 1 1 15 15 C H41 H 1 6.677 0.020 . 2 . . . . . . . . 6562 2 185 . 1 1 15 15 C H42 H 1 8.052 0.020 . 2 . . . . . . . . 6562 2 186 . 1 1 15 15 C C5 C 13 96.001 0.400 . 1 . . . . . . . . 6562 2 187 . 1 1 15 15 C H5 H 1 4.973 0.020 . 1 . . . . . . . . 6562 2 188 . 1 1 16 16 G C3' C 13 71.028 0.400 . 1 . . . . . . . . 6562 2 189 . 1 1 16 16 G H3' H 1 4.170 0.020 . 1 . . . . . . . . 6562 2 190 . 1 1 16 16 G C2' C 13 73.494 0.400 . 1 . . . . . . . . 6562 2 191 . 1 1 16 16 G H2' H 1 4.435 0.020 . 1 . . . . . . . . 6562 2 192 . 1 1 16 16 G C1' C 13 91.416 0.400 . 1 . . . . . . . . 6562 2 193 . 1 1 16 16 G H1' H 1 5.471 0.020 . 1 . . . . . . . . 6562 2 194 . 1 1 16 16 G N9 N 15 170.902 0.400 . 1 . . . . . . . . 6562 2 195 . 1 1 16 16 G C2 C 13 154.694 0.400 . 1 . . . . . . . . 6562 2 196 . 1 1 16 16 G N2 N 15 76.393 0.400 . 1 . . . . . . . . 6562 2 197 . 1 1 16 16 G N1 N 15 149.442 0.400 . 1 . . . . . . . . 6562 2 198 . 1 1 16 16 G H1 H 1 13.006 0.020 . 1 . . . . . . . . 6562 2 199 . 1 1 16 16 G C6 C 13 159.774 0.400 . 1 . . . . . . . . 6562 2 200 . 1 1 16 16 G N7 N 15 237.786 0.400 . 1 . . . . . . . . 6562 2 201 . 1 1 16 16 G H8 H 1 7.220 0.020 . 1 . . . . . . . . 6562 2 202 . 1 1 17 17 U C5' C 13 62.355 0.400 . 1 . . . . . . . . 6562 2 203 . 1 1 17 17 U H5' H 1 3.823 0.020 . 2 . . . . . . . . 6562 2 204 . 1 1 17 17 U H5'' H 1 4.297 0.020 . 2 . . . . . . . . 6562 2 205 . 1 1 17 17 U C4' C 13 80.850 0.400 . 1 . . . . . . . . 6562 2 206 . 1 1 17 17 U H4' H 1 4.154 0.020 . 1 . . . . . . . . 6562 2 207 . 1 1 17 17 U C2' C 13 74.034 0.400 . 1 . . . . . . . . 6562 2 208 . 1 1 17 17 U H2' H 1 3.856 0.020 . 1 . . . . . . . . 6562 2 209 . 1 1 17 17 U C1' C 13 92.697 0.400 . 1 . . . . . . . . 6562 2 210 . 1 1 17 17 U H1' H 1 5.274 0.020 . 1 . . . . . . . . 6562 2 211 . 1 1 17 17 U C2 C 13 153.133 0.400 . 1 . . . . . . . . 6562 2 212 . 1 1 17 17 U N3 N 15 160.429 0.400 . 1 . . . . . . . . 6562 2 213 . 1 1 17 17 U H3 H 1 12.183 0.020 . 1 . . . . . . . . 6562 2 214 . 1 1 17 17 U C4 C 13 164.728 0.400 . 1 . . . . . . . . 6562 2 215 . 1 1 17 17 U C5 C 13 102.023 0.400 . 1 . . . . . . . . 6562 2 216 . 1 1 17 17 U H5 H 1 5.193 0.020 . 1 . . . . . . . . 6562 2 217 . 1 1 18 18 C C5' C 13 63.938 0.400 . 1 . . . . . . . . 6562 2 218 . 1 1 18 18 C H5' H 1 3.875 0.020 . 2 . . . . . . . . 6562 2 219 . 1 1 18 18 C H5'' H 1 4.370 0.020 . 2 . . . . . . . . 6562 2 220 . 1 1 18 18 C C4' C 13 83.493 0.400 . 1 . . . . . . . . 6562 2 221 . 1 1 18 18 C H4' H 1 4.139 0.020 . 1 . . . . . . . . 6562 2 222 . 1 1 18 18 C C3' C 13 76.128 0.400 . 1 . . . . . . . . 6562 2 223 . 1 1 18 18 C H3' H 1 4.796 0.020 . 1 . . . . . . . . 6562 2 224 . 1 1 18 18 C C2' C 13 83.287 0.400 . 1 . . . . . . . . 6562 2 225 . 1 1 18 18 C H2' H 1 4.444 0.020 . 1 . . . . . . . . 6562 2 226 . 1 1 18 18 C N3 N 15 197.653 0.400 . 1 . . . . . . . . 6562 2 227 . 1 1 18 18 C N4 N 15 100.447 0.400 . 1 . . . . . . . . 6562 2 228 . 1 1 18 18 C H41 H 1 6.894 0.020 . 2 . . . . . . . . 6562 2 229 . 1 1 18 18 C H42 H 1 8.463 0.020 . 2 . . . . . . . . 6562 2 230 . 1 1 18 18 C C5 C 13 97.268 0.400 . 1 . . . . . . . . 6562 2 231 . 1 1 18 18 C H5 H 1 5.462 0.020 . 1 . . . . . . . . 6562 2 stop_ save_ ######################## # Coupling constants # ######################## save_3JH1H2_values _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JH1H2_values _Coupling_constant_list.Entry_ID 6562 _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 750 _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 $sample_3 . 6562 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 3JH1H2 . 1 1 1 1 G H1' . . . . 1 1 1 1 G H2' . . . 2.6 . . 1.0 . . . . . . . . . . . 6562 1 2 3JH1H2 . 1 1 2 2 G H1' . . . . 1 1 2 2 G H2' . . . 1.4 . . 1.0 . . . . . . . . . . . 6562 1 3 3JH1H2 . 1 1 3 3 C H1' . . . . 1 1 3 3 C H2' . . . 1.3 . . 1.0 . . . . . . . . . . . 6562 1 4 3JH1H2 . 1 1 4 4 G H1' . . . . 1 1 4 4 G H2' . . . 0.4 . . 1.0 . . . . . . . . . . . 6562 1 5 3JH1H2 . 1 1 5 5 U H1' . . . . 1 1 5 5 U H2' . . . 0.3 . . 1.0 . . . . . . . . . . . 6562 1 6 3JH1H2 . 1 1 6 6 U H1' . . . . 1 1 6 6 U H2' . . . 0.9 . . 1.0 . . . . . . . . . . . 6562 1 7 3JH1H2 . 1 1 7 7 C H1' . . . . 1 1 7 7 C H2' . . . 0.5 . . 1.0 . . . . . . . . . . . 6562 1 8 3JH1H2 . 1 1 8 8 G H1' . . . . 1 1 8 8 G H2' . . . 2.0 . . 1.0 . . . . . . . . . . . 6562 1 9 3JH1H2 . 1 1 9 9 U H1' . . . . 1 1 9 9 U H2' . . . 7.0 . . 1.0 . . . . . . . . . . . 6562 1 10 3JH1H2 . 1 1 10 10 U H1' . . . . 1 1 10 10 U H2' . . . 7.0 . . 1.0 . . . . . . . . . . . 6562 1 11 3JH1H2 . 1 1 11 11 A H1' . . . . 1 1 11 11 A H2' . . . 4.0 . . 1.0 . . . . . . . . . . . 6562 1 12 3JH1H2 . 1 1 13 13 A H1' . . . . 1 1 13 13 A H2' . . . 0.0 . . 1.0 . . . . . . . . . . . 6562 1 13 3JH1H2 . 1 1 14 14 A H1' . . . . 1 1 14 14 A H2' . . . 0.0 . . 1.0 . . . . . . . . . . . 6562 1 14 3JH1H2 . 1 1 15 15 C H1' . . . . 1 1 15 15 C H2' . . . 1.4 . . 1.0 . . . . . . . . . . . 6562 1 15 3JH1H2 . 1 1 16 16 G H1' . . . . 1 1 16 16 G H2' . . . 2.5 . . 1.0 . . . . . . . . . . . 6562 1 16 3JH1H2 . 1 1 17 17 U H1' . . . . 1 1 17 17 U H2' . . . 0.9 . . 1.0 . . . . . . . . . . . 6562 1 17 3JH1H2 . 1 1 18 18 C H1' . . . . 1 1 18 18 C H2' . . . 2.8 . . 1.0 . . . . . . . . . . . 6562 1 stop_ save_