data_10014 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10014 _Entry.Title ; Assignments of a GAAG tetraloop in helix 6 of SRP RNA from Pyrococcus furiosus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-02 _Entry.Accession_date 2005-12-02 _Entry.Last_release_date 2006-11-21 _Entry.Original_release_date 2006-11-21 _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 Kiyoshi Okada . . . 10014 2 Mari Takahashi . . . 10014 3 Taiichi Sakamoto . . . 10014 4 Kouji Nakamura . . . 10014 5 Akio Kanai . . . 10014 6 Gota Kawai . . . 10014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 64 10014 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 . . 2006-11-21 2005-12-02 original author . 10014 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2F87 'BMRB Entry Tracking System' 10014 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10014 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16838833 _Citation.Full_citation . _Citation.Title ; Solution structure of a GAAG tetraloop in helix 6 of SRP RNA from Pyrococcus furiosus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleos. Nucleot. Nucl.' _Citation.Journal_name_full 'Nucleosides, Nucleotides & Nucleic Acids' _Citation.Journal_volume 25 _Citation.Journal_issue 4-6 _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 383 _Citation.Page_last 395 _Citation.Year 2006 _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 Kiyoshi Okada . . . 10014 1 2 Mari Takahashi . . . 10014 1 3 Taiichi Sakamoto . . . 10014 1 4 Gota Kawai . . . 10014 1 5 Kouji Nakamura . . . 10014 1 6 Akio Kanai . . . 10014 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GNRR motif' 10014 1 SRP 10014 1 tetraloop 10014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10014 _Assembly.ID 1 _Assembly.Name 'helix6 in SRP RNA' _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 '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 'RNA single strand' 10014 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 'helix6 in SRP RNA' 1 $SRP_RNA_fragment . . yes native no no . . . 10014 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 yes PDB 2F87 . . NMR . 'Structure solution from this entry' . 10014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SRP_RNA_fragment _Entity.Sf_category entity _Entity.Sf_framecode SRP_RNA_fragment _Entity.Entry_ID 10014 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name pfHE6-12 _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 GGCUGAAGGGCC _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 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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_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 . 10014 1 2 . G . 10014 1 3 . C . 10014 1 4 . U . 10014 1 5 . G . 10014 1 6 . A . 10014 1 7 . A . 10014 1 8 . G . 10014 1 9 . G . 10014 1 10 . G . 10014 1 11 . C . 10014 1 12 . C . 10014 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 10014 1 . G 2 2 10014 1 . C 3 3 10014 1 . U 4 4 10014 1 . G 5 5 10014 1 . A 6 6 10014 1 . A 7 7 10014 1 . G 8 8 10014 1 . G 9 9 10014 1 . G 10 10 10014 1 . C 11 11 10014 1 . C 12 12 10014 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 10014 _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 $SRP_RNA_fragment . 186497 . no . 'Pyrococcus furiosus' . . Archaea Euryarchaeota Pyrococcus 'Pyrococcus furiosus' DSM3638 . . . . . . . . . . . no . . . . . . . . 10014 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 10014 _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 $SRP_RNA_fragment . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_he6_1 _Sample.Sf_category sample _Sample.Sf_framecode he6_1 _Sample.Entry_ID 10014 _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 pfHE6-12 . . . 1 $SRP_RNA_fragment . . 2.0 . . mM 0.1 . . . 10014 1 2 'sodium chloride' . . . . . . . 50 . . mM 0.1 . . . 10014 1 3 'phosphate buffer Na' . . . . . . . 20 . . mM 0.1 . . . 10014 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10014 _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 6.5 0.1 pH 10014 1 temperature 283 0.1 K 10014 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10014 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10014 _Software.ID 2 _Software.Name FELIX _Software.Version 97.0 _Software.Details . save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10014 _Software.ID 3 _Software.Name DISCOVER _Software.Version 97.0 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10014 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 10014 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10014 _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 NOESY no . . . . . . . . . . 1 $he6_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10014 1 2 TOCSY no . . . . . . . . . . 1 $he6_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10014 1 3 '1H-13C HSQC' no . . . . . . . . . . 1 $he6_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10014 1 4 DQF-COSY no . . . . . . . . . . 1 $he6_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10014 1 stop_ save_ save_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY _NMR_spec_expt.Entry_ID 10014 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY _NMR_spec_expt.Entry_ID 10014 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_1H-13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C_HSQC _NMR_spec_expt.Entry_ID 10014 _NMR_spec_expt.ID 3 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_DQF-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode DQF-COSY _NMR_spec_expt.Entry_ID 10014 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10014 _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 . . . . . . . . . 10014 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_pfhe6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode pfhe6 _Assigned_chem_shift_list.Entry_ID 10014 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _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 NOESY 1 $he6_1 isotropic 10014 1 2 TOCSY 1 $he6_1 isotropic 10014 1 3 '1H-13C HSQC' 1 $he6_1 isotropic 10014 1 4 DQF-COSY 1 $he6_1 isotropic 10014 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 H1 H 1 12.41 0.02 . 1 . . . . 1 GUA H1 . 10014 1 2 . 1 1 1 1 G H8 H 1 7.79 0.02 . 1 . . . . 1 GUA H8 . 10014 1 3 . 1 1 1 1 G H1' H 1 5.67 0.02 . 1 . . . . 1 GUA H1' . 10014 1 4 . 1 1 1 1 G H2' H 1 4.86 0.02 . 1 . . . . 1 GUA H2' . 10014 1 5 . 1 1 1 1 G H3' H 1 4.57 0.02 . 1 . . . . 1 GUA H3' . 10014 1 6 . 1 1 1 1 G H4' H 1 4.27 0.02 . 1 . . . . 1 GUA H4' . 10014 1 7 . 1 1 2 2 G H1 H 1 13.34 0.02 . 1 . . . . 2 GUA H1 . 10014 1 8 . 1 1 2 2 G H8 H 1 7.41 0.02 . 1 . . . . 2 GUA H8 . 10014 1 9 . 1 1 2 2 G H1' H 1 5.97 0.02 . 1 . . . . 2 GUA H1' . 10014 1 10 . 1 1 2 2 G H2' H 1 4.64 0.02 . 1 . . . . 2 GUA H2' . 10014 1 11 . 1 1 2 2 G H3' H 1 4.74 0.02 . 1 . . . . 2 GUA H3' . 10014 1 12 . 1 1 3 3 C H5 H 1 5.29 0.02 . 1 . . . . 3 CYT H5 . 10014 1 13 . 1 1 3 3 C H6 H 1 7.53 0.02 . 1 . . . . 3 CYT H6 . 10014 1 14 . 1 1 3 3 C H1' H 1 5.66 0.02 . 1 . . . . 3 CYT H1' . 10014 1 15 . 1 1 3 3 C H2' H 1 4.66 0.02 . 1 . . . . 3 CYT H2' . 10014 1 16 . 1 1 3 3 C H3' H 1 4.55 0.02 . 1 . . . . 3 CYT H3' . 10014 1 17 . 1 1 4 4 U H3 H 1 11.69 0.02 . 1 . . . . 4 URI H3 . 10014 1 18 . 1 1 4 4 U H5 H 1 5.81 0.02 . 1 . . . . 4 URI H5 . 10014 1 19 . 1 1 4 4 U H6 H 1 7.72 0.02 . 1 . . . . 4 URI H6 . 10014 1 20 . 1 1 4 4 U H1' H 1 5.76 0.02 . 1 . . . . 4 URI H1' . 10014 1 21 . 1 1 4 4 U H2' H 1 4.40 0.02 . 1 . . . . 4 URI H2' . 10014 1 22 . 1 1 4 4 U H3' H 1 4.51 0.02 . 1 . . . . 4 URI H3' . 10014 1 23 . 1 1 5 5 G H1 H 1 9.99 0.02 . 1 . . . . 5 GUA H1 . 10014 1 24 . 1 1 5 5 G H21 H 1 6.17 0.02 . 2 . . . . 5 GUA H21 . 10014 1 25 . 1 1 5 5 G H22 H 1 6.17 0.02 . 2 . . . . 5 GUA H22 . 10014 1 26 . 1 1 5 5 G H8 H 1 7.63 0.02 . 1 . . . . 5 GUA H8 . 10014 1 27 . 1 1 5 5 G H1' H 1 5.89 0.02 . 1 . . . . 5 GUA H1' . 10014 1 28 . 1 1 5 5 G H2' H 1 4.69 0.02 . 1 . . . . 5 GUA H2' . 10014 1 29 . 1 1 5 5 G H3' H 1 4.86 0.02 . 1 . . . . 5 GUA H3' . 10014 1 30 . 1 1 6 6 A H2 H 1 7.75 0.02 . 1 . . . . 6 ADE H2 . 10014 1 31 . 1 1 6 6 A H8 H 1 8.23 0.02 . 1 . . . . 6 ADE H8 . 10014 1 32 . 1 1 6 6 A H1' H 1 5.79 0.02 . 1 . . . . 6 ADE H1' . 10014 1 33 . 1 1 6 6 A H2' H 1 4.69 0.02 . 1 . . . . 6 ADE H2' . 10014 1 34 . 1 1 6 6 A H3' H 1 4.79 0.02 . 1 . . . . 6 ADE H3' . 10014 1 35 . 1 1 6 6 A H5' H 1 4.06 0.02 . 2 . . . . 6 ADE H5' . 10014 1 36 . 1 1 6 6 A H5'' H 1 4.06 0.02 . 2 . . . . 6 ADE H5'' . 10014 1 37 . 1 1 7 7 A H8 H 1 7.95 0.02 . 1 . . . . 7 ADE H8 . 10014 1 38 . 1 1 7 7 A H1' H 1 5.83 0.02 . 1 . . . . 7 ADE H1' . 10014 1 39 . 1 1 7 7 A H2' H 1 4.54 0.02 . 1 . . . . 7 ADE H2' . 10014 1 40 . 1 1 7 7 A H3' H 1 4.85 0.02 . 1 . . . . 7 ADE H3' . 10014 1 41 . 1 1 7 7 A H5' H 1 4.06 0.02 . 2 . . . . 7 ADE H5' . 10014 1 42 . 1 1 7 7 A H5'' H 1 4.06 0.02 . 2 . . . . 7 ADE H5'' . 10014 1 43 . 1 1 8 8 G H8 H 1 7.49 0.02 . 1 . . . . 8 GUA H8 . 10014 1 44 . 1 1 8 8 G H1' H 1 6.14 0.02 . 1 . . . . 8 GUA H1' . 10014 1 45 . 1 1 8 8 G H2' H 1 4.63 0.02 . 1 . . . . 8 GUA H2' . 10014 1 46 . 1 1 8 8 G H3' H 1 4.97 0.02 . 1 . . . . 8 GUA H3' . 10014 1 47 . 1 1 9 9 G H1 H 1 10.63 0.02 . 1 . . . . 9 GUA H1 . 10014 1 48 . 1 1 9 9 G H8 H 1 7.94 0.02 . 1 . . . . 9 GUA H8 . 10014 1 49 . 1 1 9 9 G H2' H 1 4.40 0.02 . 1 . . . . 9 GUA H2' . 10014 1 50 . 1 1 9 9 G H3' H 1 4.47 0.02 . 1 . . . . 9 GUA H3' . 10014 1 51 . 1 1 10 10 G H1 H 1 13.40 0.02 . 1 . . . . 10 GUA H1 . 10014 1 52 . 1 1 10 10 G H8 H 1 7.35 0.02 . 1 . . . . 10 GUA H8 . 10014 1 53 . 1 1 10 10 G H1' H 1 5.90 0.02 . 1 . . . . 10 GUA H1' . 10014 1 54 . 1 1 10 10 G H2' H 1 4.61 0.02 . 1 . . . . 10 GUA H2' . 10014 1 55 . 1 1 11 11 C H5 H 1 5.39 0.02 . 1 . . . . 11 CYT H5 . 10014 1 56 . 1 1 11 11 C H6 H 1 7.61 0.02 . 1 . . . . 11 CYT H6 . 10014 1 57 . 1 1 11 11 C H1' H 1 5.67 0.02 . 1 . . . . 11 CYT H1' . 10014 1 58 . 1 1 11 11 C H2' H 1 4.45 0.02 . 1 . . . . 11 CYT H2' . 10014 1 59 . 1 1 11 11 C H3' H 1 4.57 0.02 . 1 . . . . 11 CYT H3' . 10014 1 60 . 1 1 12 12 C H5 H 1 5.71 0.02 . 1 . . . . 12 CYT H5 . 10014 1 61 . 1 1 12 12 C H6 H 1 7.62 0.02 . 1 . . . . 12 CYT H6 . 10014 1 62 . 1 1 12 12 C H1' H 1 5.83 0.02 . 1 . . . . 12 CYT H1' . 10014 1 63 . 1 1 12 12 C H2' H 1 4.22 0.02 . 1 . . . . 12 CYT H2' . 10014 1 64 . 1 1 12 12 C H3' H 1 4.17 0.02 . 1 . . . . 12 CYT H3' . 10014 1 stop_ save_