data_11607 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11607 _Entry.Title ; Solution structure of a reverse transcriptase recognition site of a LINE RNA from zebrafish ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-03 _Entry.Accession_date 2016-03-17 _Entry.Last_release_date 2016-03-17 _Entry.Original_release_date 2016-03-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.ORCID _Entry_author.Entry_ID 1 Maina Otsu . . . . 11607 2 Nao Norose . . . . 11607 3 Nao Arai . . . . 11607 4 Ryo Terao . . . . 11607 5 Masaki Kajikawa . . . . 11607 6 Norihiro Okada . . . . 11607 7 Gota Kawai . . . . 11607 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11607 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LINE . 11607 RNA . 11607 retrotransposon . 11607 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11607 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 33 11607 '1H chemical shifts' 97 11607 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 . . 2017-02-06 . original BMRB . 11607 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RV0 'BMRB Entry Tracking System' 11607 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11607 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of a reverse transcriptase recognition site of a LINE RNA from zebrafish ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maina Otsu . . . . 11607 1 2 Nao Norose . . . . 11607 1 3 Nao Arai . . . . 11607 1 4 Ryo Terao . . . . 11607 1 5 Masaki Kajikawa . . . . 11607 1 6 Norihiro Okada . . . . 11607 1 7 Gota Kawai . . . . 11607 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11607 _Assembly.ID 1 _Assembly.Name 'Reverse transcriptase recognition site of transcript of a LINE from Denio Renio, LS-1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'RNA (34-MER)' 1 $RNA_(34-MER) A . yes native no no . . . 11607 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(34-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(34-MER) _Entity.Entry_ID 11607 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(34-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCGCUUUGACACAAUCUAC AUUGUAAAAGCGCC ; _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10859.578 _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 1 G . 11607 1 2 2 G . 11607 1 3 3 C . 11607 1 4 4 G . 11607 1 5 5 C . 11607 1 6 6 U . 11607 1 7 7 U . 11607 1 8 8 U . 11607 1 9 9 G . 11607 1 10 10 A . 11607 1 11 11 C . 11607 1 12 12 A . 11607 1 13 13 C . 11607 1 14 14 A . 11607 1 15 15 A . 11607 1 16 16 U . 11607 1 17 17 C . 11607 1 18 18 U . 11607 1 19 19 A . 11607 1 20 20 C . 11607 1 21 21 A . 11607 1 22 22 U . 11607 1 23 23 U . 11607 1 24 24 G . 11607 1 25 25 U . 11607 1 26 26 A . 11607 1 27 27 A . 11607 1 28 28 A . 11607 1 29 29 A . 11607 1 30 30 G . 11607 1 31 31 C . 11607 1 32 32 G . 11607 1 33 33 C . 11607 1 34 34 C . 11607 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 11607 1 . G 2 2 11607 1 . C 3 3 11607 1 . G 4 4 11607 1 . C 5 5 11607 1 . U 6 6 11607 1 . U 7 7 11607 1 . U 8 8 11607 1 . G 9 9 11607 1 . A 10 10 11607 1 . C 11 11 11607 1 . A 12 12 11607 1 . C 13 13 11607 1 . A 14 14 11607 1 . A 15 15 11607 1 . U 16 16 11607 1 . C 17 17 11607 1 . U 18 18 11607 1 . A 19 19 11607 1 . C 20 20 11607 1 . A 21 21 11607 1 . U 22 22 11607 1 . U 23 23 11607 1 . G 24 24 11607 1 . U 25 25 11607 1 . A 26 26 11607 1 . A 27 27 11607 1 . A 28 28 11607 1 . A 29 29 11607 1 . G 30 30 11607 1 . C 31 31 11607 1 . G 32 32 11607 1 . C 33 33 11607 1 . C 34 34 11607 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 11607 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(34-MER) . 7955 organism . 'Denio Renio' zebrafish . . Eukaryota Metazoa Denio Renio . . . . . . . . . . . . 'A part of transcript of a LINE, CR1-1_DR' 11607 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 11607 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(34-MER) . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . 'In vitro transcription with the T7 RNA polymerase' 11607 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ZfL2-1-34_D2O _Sample.Sf_category sample _Sample.Sf_framecode ZfL2-1-34_D2O _Sample.Entry_ID 11607 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'RNA (34-MER)' 'natural abundance' . . 1 $RNA_(34-MER) . RNA 0.3 . . mM . . . . 11607 1 2 'RNA (34-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(34-MER) . RNA 0.26 . . mM . . . . 11607 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11607 1 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11607 1 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 11607 1 stop_ save_ save_ZfL2-1-34_H2O _Sample.Sf_category sample _Sample.Sf_framecode ZfL2-1-34_H2O _Sample.Entry_ID 11607 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'RNA (34-MER)' '[U-13C; U-15N]-Ade' . . 1 $RNA_(34-MER) . RNA 0.18 . . mM . . . . 11607 2 2 'RNA (34-MER)' '[U-13C; U-15N]-Gua' . . 1 $RNA_(34-MER) . RNA 0.19 . . mM . . . . 11607 2 3 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11607 2 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11607 2 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 11607 2 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 11607 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11607 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM Phosphate sodium buffer, 50 mM NaCl' 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 11607 1 pH 6.5 . pH 11607 1 pressure 1 . atm 11607 1 temperature 288 . K 11607 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11607 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11607 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11607 1 processing 11607 1 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 11607 _Software.ID 2 _Software.Name CNSSOLVE _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11607 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11607 2 'structure solution' 11607 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11607 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11607 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 11607 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11607 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version 2.32 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11607 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'grid search' 11607 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11607 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11607 _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_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11607 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11607 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 11607 1 2 spectrometer_2 Bruker DRX . 600 . . . 11607 1 3 spectrometer_3 Bruker Avance . 800 RIKEN . . 11607 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 11607 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $ZfL2-1-34_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11607 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $ZfL2-1-34_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11607 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $ZfL2-1-34_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11607 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $ZfL2-1-34_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11607 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $ZfL2-1-34_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11607 1 6 '2D 1H-13C TROSY' no . . . . . . . . . . 1 $ZfL2-1-34_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11607 1 7 '2D 1H-13C TROSY' no . . . . . . . . . . 1 $ZfL2-1-34_D2O anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11607 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11607 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 11607 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 11607 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11607 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _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 '2D 1H-1H NOESY' 1 $ZfL2-1-34_D2O isotropic 11607 1 3 '2D 1H-13C HSQC' 1 $ZfL2-1-34_D2O isotropic 11607 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 5.85 0.01 . 1 . . . A 1 G H1' . 11607 1 2 . 1 1 1 1 G H2' H 1 4.98 0.01 . 1 . . . A 1 G H2' . 11607 1 3 . 1 1 1 1 G H8 H 1 8.19 0.01 . 1 . . . A 1 G H8 . 11607 1 4 . 1 1 1 1 G C8 C 13 136.42 0.16 . 1 . . . A 1 G C8 . 11607 1 5 . 1 1 2 2 G H1' H 1 5.96 0.01 . 1 . . . A 2 G H1' . 11607 1 6 . 1 1 2 2 G H8 H 1 7.68 0.01 . 1 . . . A 2 G H8 . 11607 1 7 . 1 1 2 2 G C8 C 13 133.95 0.16 . 1 . . . A 2 G C8 . 11607 1 8 . 1 1 3 3 C H1' H 1 5.59 0.01 . 1 . . . A 3 C H1' . 11607 1 9 . 1 1 3 3 C H5 H 1 5.28 0.01 . 1 . . . A 3 C H5 . 11607 1 10 . 1 1 3 3 C H6 H 1 7.70 0.01 . 1 . . . A 3 C H6 . 11607 1 11 . 1 1 4 4 G H1' H 1 5.76 0.01 . 1 . . . A 4 G H1' . 11607 1 12 . 1 1 4 4 G H8 H 1 7.58 0.01 . 1 . . . A 4 G H8 . 11607 1 13 . 1 1 4 4 G C8 C 13 133.17 0.16 . 1 . . . A 4 G C8 . 11607 1 14 . 1 1 5 5 C H1' H 1 5.52 0.01 . 1 . . . A 5 C H1' . 11607 1 15 . 1 1 5 5 C H5 H 1 5.25 0.01 . 1 . . . A 5 C H5 . 11607 1 16 . 1 1 5 5 C H6 H 1 7.72 0.01 . 1 . . . A 5 C H6 . 11607 1 17 . 1 1 6 6 U H1' H 1 5.54 0.01 . 1 . . . A 6 U H1' . 11607 1 18 . 1 1 6 6 U H5 H 1 5.44 0.01 . 1 . . . A 6 U H5 . 11607 1 19 . 1 1 6 6 U H6 H 1 7.90 0.01 . 1 . . . A 6 U H6 . 11607 1 20 . 1 1 6 6 U C5 C 13 100.51 0.16 . 1 . . . A 6 U C5 . 11607 1 21 . 1 1 7 7 U H1' H 1 5.64 0.01 . 1 . . . A 7 U H1' . 11607 1 22 . 1 1 7 7 U H5 H 1 5.59 0.01 . 1 . . . A 7 U H5 . 11607 1 23 . 1 1 7 7 U H6 H 1 8.02 0.01 . 1 . . . A 7 U H6 . 11607 1 24 . 1 1 8 8 U H1' H 1 5.62 0.01 . 1 . . . A 8 U H1' . 11607 1 25 . 1 1 8 8 U H5 H 1 5.54 0.01 . 1 . . . A 8 U H5 . 11607 1 26 . 1 1 8 8 U H6 H 1 7.83 0.01 . 1 . . . A 8 U H6 . 11607 1 27 . 1 1 9 9 G H1' H 1 5.43 0.01 . 1 . . . A 9 G H1' . 11607 1 28 . 1 1 9 9 G H8 H 1 7.68 0.01 . 1 . . . A 9 G H8 . 11607 1 29 . 1 1 9 9 G C8 C 13 135.12 0.16 . 1 . . . A 9 G C8 . 11607 1 30 . 1 1 10 10 A H2 H 1 7.49 0.01 . 1 . . . A 10 A H2 . 11607 1 31 . 1 1 10 10 A H8 H 1 7.77 0.01 . 1 . . . A 10 A H8 . 11607 1 32 . 1 1 10 10 A C2 C 13 151.61 0.16 . 1 . . . A 10 A C2 . 11607 1 33 . 1 1 10 10 A C8 C 13 137.44 0.16 . 1 . . . A 10 A C8 . 11607 1 34 . 1 1 11 11 C H1' H 1 6.05 0.01 . 1 . . . A 11 C H1' . 11607 1 35 . 1 1 11 11 C H5 H 1 5.81 0.01 . 1 . . . A 11 C H5 . 11607 1 36 . 1 1 11 11 C H6 H 1 7.82 0.01 . 1 . . . A 11 C H6 . 11607 1 37 . 1 1 12 12 A H1' H 1 5.90 0.01 . 1 . . . A 12 A H1' . 11607 1 38 . 1 1 12 12 A H2 H 1 7.33 0.01 . 1 . . . A 12 A H2 . 11607 1 39 . 1 1 12 12 A H8 H 1 8.39 0.01 . 1 . . . A 12 A H8 . 11607 1 40 . 1 1 12 12 A C2 C 13 150.45 0.16 . 1 . . . A 12 A C2 . 11607 1 41 . 1 1 12 12 A C8 C 13 138.05 0.16 . 1 . . . A 12 A C8 . 11607 1 42 . 1 1 13 13 C H1' H 1 5.41 0.01 . 1 . . . A 13 C H1' . 11607 1 43 . 1 1 13 13 C H5 H 1 5.23 0.01 . 1 . . . A 13 C H5 . 11607 1 44 . 1 1 13 13 C H6 H 1 7.58 0.01 . 1 . . . A 13 C H6 . 11607 1 45 . 1 1 14 14 A H1' H 1 5.87 0.01 . 1 . . . A 14 A H1' . 11607 1 46 . 1 1 14 14 A H2 H 1 6.75 0.01 . 1 . . . A 14 A H2 . 11607 1 47 . 1 1 14 14 A H8 H 1 7.95 0.01 . 1 . . . A 14 A H8 . 11607 1 48 . 1 1 14 14 A C2 C 13 149.33 0.16 . 1 . . . A 14 A C2 . 11607 1 49 . 1 1 14 14 A C8 C 13 136.71 0.16 . 1 . . . A 14 A C8 . 11607 1 50 . 1 1 15 15 A H1' H 1 5.91 0.01 . 1 . . . A 15 A H1' . 11607 1 51 . 1 1 15 15 A H2 H 1 7.79 0.01 . 1 . . . A 15 A H2 . 11607 1 52 . 1 1 15 15 A H8 H 1 7.76 0.01 . 1 . . . A 15 A H8 . 11607 1 53 . 1 1 15 15 A C2 C 13 151.16 0.16 . 1 . . . A 15 A C2 . 11607 1 54 . 1 1 15 15 A C8 C 13 136.25 0.16 . 1 . . . A 15 A C8 . 11607 1 55 . 1 1 16 16 U H1' H 1 5.56 0.01 . 1 . . . A 16 U H1' . 11607 1 56 . 1 1 16 16 U H5 H 1 5.03 0.01 . 1 . . . A 16 U H5 . 11607 1 57 . 1 1 16 16 U H6 H 1 7.34 0.01 . 1 . . . A 16 U H6 . 11607 1 58 . 1 1 17 17 C H1' H 1 5.69 0.01 . 1 . . . A 17 C H1' . 11607 1 59 . 1 1 17 17 C H2' H 1 4.24 0.01 . 1 . . . A 17 C H2' . 11607 1 60 . 1 1 17 17 C H3' H 1 4.48 0.01 . 1 . . . A 17 C H3' . 11607 1 61 . 1 1 17 17 C H5 H 1 5.91 0.01 . 1 . . . A 17 C H5 . 11607 1 62 . 1 1 17 17 C H6 H 1 7.76 0.01 . 1 . . . A 17 C H6 . 11607 1 63 . 1 1 17 17 C C6 C 13 140.09 0.16 . 1 . . . A 17 C C6 . 11607 1 64 . 1 1 18 18 U H1' H 1 5.65 0.01 . 1 . . . A 18 U H1' . 11607 1 65 . 1 1 18 18 U H5 H 1 5.77 0.01 . 1 . . . A 18 U H5 . 11607 1 66 . 1 1 18 18 U H6 H 1 7.66 0.01 . 1 . . . A 18 U H6 . 11607 1 67 . 1 1 18 18 U C5 C 13 102.59 0.16 . 1 . . . A 18 U C5 . 11607 1 68 . 1 1 18 18 U C6 C 13 140.58 0.16 . 1 . . . A 18 U C6 . 11607 1 69 . 1 1 19 19 A H1' H 1 5.63 0.01 . 1 . . . A 19 A H1' . 11607 1 70 . 1 1 19 19 A H2 H 1 7.95 0.01 . 1 . . . A 19 A H2 . 11607 1 71 . 1 1 19 19 A H8 H 1 8.00 0.01 . 1 . . . A 19 A H8 . 11607 1 72 . 1 1 19 19 A C2 C 13 152.19 0.16 . 1 . . . A 19 A C2 . 11607 1 73 . 1 1 19 19 A C8 C 13 138.52 0.16 . 1 . . . A 19 A C8 . 11607 1 74 . 1 1 20 20 C H1' H 1 5.94 0.01 . 1 . . . A 20 C H1' . 11607 1 75 . 1 1 20 20 C H5 H 1 5.88 0.01 . 1 . . . A 20 C H5 . 11607 1 76 . 1 1 20 20 C H6 H 1 7.81 0.01 . 1 . . . A 20 C H6 . 11607 1 77 . 1 1 21 21 A H1' H 1 5.79 0.01 . 1 . . . A 21 A H1' . 11607 1 78 . 1 1 21 21 A H2 H 1 7.87 0.01 . 1 . . . A 21 A H2 . 11607 1 79 . 1 1 21 21 A H8 H 1 8.30 0.01 . 1 . . . A 21 A H8 . 11607 1 80 . 1 1 21 21 A C2 C 13 151.11 0.16 . 1 . . . A 21 A C2 . 11607 1 81 . 1 1 21 21 A C8 C 13 138.08 0.16 . 1 . . . A 21 A C8 . 11607 1 82 . 1 1 22 22 U H1' H 1 5.59 0.01 . 1 . . . A 22 U H1' . 11607 1 83 . 1 1 22 22 U H5 H 1 5.13 0.01 . 1 . . . A 22 U H5 . 11607 1 84 . 1 1 22 22 U H6 H 1 7.68 0.01 . 1 . . . A 22 U H6 . 11607 1 85 . 1 1 23 23 U H1' H 1 5.69 0.01 . 1 . . . A 23 U H1' . 11607 1 86 . 1 1 23 23 U H5 H 1 5.57 0.01 . 1 . . . A 23 U H5 . 11607 1 87 . 1 1 23 23 U H6 H 1 7.96 0.01 . 1 . . . A 23 U H6 . 11607 1 88 . 1 1 24 24 G H1' H 1 5.76 0.01 . 1 . . . A 24 G H1' . 11607 1 89 . 1 1 24 24 G H8 H 1 7.72 0.01 . 1 . . . A 24 G H8 . 11607 1 90 . 1 1 24 24 G C8 C 13 133.54 0.16 . 1 . . . A 24 G C8 . 11607 1 91 . 1 1 25 25 U H1' H 1 5.57 0.01 . 1 . . . A 25 U H1' . 11607 1 92 . 1 1 25 25 U H5 H 1 5.07 0.01 . 1 . . . A 25 U H5 . 11607 1 93 . 1 1 25 25 U H6 H 1 7.56 0.01 . 1 . . . A 25 U H6 . 11607 1 94 . 1 1 26 26 A H1' H 1 5.81 0.01 . 1 . . . A 26 A H1' . 11607 1 95 . 1 1 26 26 A H2 H 1 7.32 0.01 . 1 . . . A 26 A H2 . 11607 1 96 . 1 1 26 26 A H2' H 1 4.56 0.01 . 1 . . . A 26 A H2' . 11607 1 97 . 1 1 26 26 A H3' H 1 4.72 0.01 . 1 . . . A 26 A H3' . 11607 1 98 . 1 1 26 26 A H8 H 1 8.08 0.01 . 1 . . . A 26 A H8 . 11607 1 99 . 1 1 26 26 A C2 C 13 151.59 0.16 . 1 . . . A 26 A C2 . 11607 1 100 . 1 1 26 26 A C8 C 13 138.07 0.16 . 1 . . . A 26 A C8 . 11607 1 101 . 1 1 27 27 A H1' H 1 5.61 0.01 . 1 . . . A 27 A H1' . 11607 1 102 . 1 1 27 27 A H2 H 1 6.95 0.01 . 1 . . . A 27 A H2 . 11607 1 103 . 1 1 27 27 A H8 H 1 8.21 0.01 . 1 . . . A 27 A H8 . 11607 1 104 . 1 1 27 27 A C2 C 13 149.82 0.16 . 1 . . . A 27 A C2 . 11607 1 105 . 1 1 28 28 A H1' H 1 5.83 0.01 . 1 . . . A 28 A H1' . 11607 1 106 . 1 1 28 28 A H2 H 1 7.11 0.01 . 1 . . . A 28 A H2 . 11607 1 107 . 1 1 28 28 A H8 H 1 7.83 0.01 . 1 . . . A 28 A H8 . 11607 1 108 . 1 1 28 28 A C2 C 13 149.89 0.16 . 1 . . . A 28 A C2 . 11607 1 109 . 1 1 28 28 A C8 C 13 136.99 0.16 . 1 . . . A 28 A C8 . 11607 1 110 . 1 1 29 29 A H1' H 1 5.85 0.01 . 1 . . . A 29 A H1' . 11607 1 111 . 1 1 29 29 A H2 H 1 7.40 0.01 . 1 . . . A 29 A H2 . 11607 1 112 . 1 1 29 29 A H8 H 1 7.71 0.01 . 1 . . . A 29 A H8 . 11607 1 113 . 1 1 29 29 A C2 C 13 150.32 0.16 . 1 . . . A 29 A C2 . 11607 1 114 . 1 1 29 29 A C8 C 13 136.04 0.16 . 1 . . . A 29 A C8 . 11607 1 115 . 1 1 30 30 G H1' H 1 5.56 0.01 . 1 . . . A 30 G H1' . 11607 1 116 . 1 1 30 30 G H8 H 1 7.15 0.01 . 1 . . . A 30 G H8 . 11607 1 117 . 1 1 30 30 G C8 C 13 132.63 0.16 . 1 . . . A 30 G C8 . 11607 1 118 . 1 1 31 31 C H1' H 1 5.50 0.01 . 1 . . . A 31 C H1' . 11607 1 119 . 1 1 31 31 C H5 H 1 5.17 0.01 . 1 . . . A 31 C H5 . 11607 1 120 . 1 1 31 31 C H6 H 1 7.54 0.01 . 1 . . . A 31 C H6 . 11607 1 121 . 1 1 31 31 C C5 C 13 94.68 0.16 . 1 . . . A 31 C C5 . 11607 1 122 . 1 1 31 31 C C6 C 13 137.35 0.16 . 1 . . . A 31 C C6 . 11607 1 123 . 1 1 32 32 G H8 H 1 7.60 0.01 . 1 . . . A 32 G H8 . 11607 1 124 . 1 1 32 32 G C8 C 13 133.65 0.16 . 1 . . . A 32 G C8 . 11607 1 125 . 1 1 33 33 C H1' H 1 5.55 0.01 . 1 . . . A 33 C H1' . 11607 1 126 . 1 1 33 33 C H5 H 1 5.24 0.01 . 1 . . . A 33 C H5 . 11607 1 127 . 1 1 33 33 C H6 H 1 7.73 0.01 . 1 . . . A 33 C H6 . 11607 1 128 . 1 1 34 34 C H5 H 1 5.55 0.01 . 1 . . . A 34 C H5 . 11607 1 129 . 1 1 34 34 C H6 H 1 7.70 0.01 . 1 . . . A 34 C H6 . 11607 1 130 . 1 1 34 34 C C5 C 13 95.33 0.16 . 1 . . . A 34 C C5 . 11607 1 stop_ save_