data_18891 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18891 _Entry.Title ; Solution structure of the Tetrahymena telomerase RNA stem IV terminal loop ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-11 _Entry.Accession_date 2012-12-11 _Entry.Last_release_date 2013-01-24 _Entry.Original_release_date 2013-01-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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.Entry_ID 1 Darian Cash . D. . 18891 2 Rebecca Richards . J. . 18891 3 Haihong Wu . . . 18891 4 Lukas Trantirek . . . 18891 5 Catherine O'Connor . M . 18891 6 Juli Feigon . . . 18891 7 Kathleen Collins . . . 18891 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' . 18891 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID biomolecular . 18891 ciliate . 18891 genetic . 18891 holoenzyme . 18891 Models . 18891 Molecular . 18891 'nuclear magnetic resonance' . 18891 'nucleic acid' . 18891 protein . 18891 'protozoan proteins' . 18891 'reverse transcriptase' . 18891 RNA . 18891 secondary . 18891 structure . 18891 telomerase . 18891 template . 18891 tertiary . 18891 'tetrahymena thermophila' . 18891 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18891 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 141 18891 '15N chemical shifts' 19 18891 '1H chemical shifts' 181 18891 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 . . 2013-01-24 2012-12-11 original author . 18891 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18892 'Solution structure of the helix II template boundary element from Tetrahymena telomerase RNA' 18891 PDB 2M21 'BMRB Entry Tracking System' 18891 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18891 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16809815 _Citation.Full_citation . _Citation.Title 'Solution structure of the Tetrahymena telomerase RNA stem IV terminal loop' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 8 _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 1475 _Citation.Page_last 1485 _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 Rebecca Richards . J. . 18891 1 2 Haihong Wu . . . 18891 1 3 Lukas Trantirek . . . 18891 1 4 Catherine O'Connor . M . 18891 1 5 Kathleen Collins . . . 18891 1 6 Juli Feigon . . . 18891 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18891 _Assembly.ID 1 _Assembly.Name 'Tetrahymena telomerase RNA stem IV terminal loop' _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 stemIV_telo_RNA 1 $stemIV_telo_RNA A . yes native no no . . . 18891 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_stemIV_telo_RNA _Entity.Sf_category entity _Entity.Sf_framecode stemIV_telo_RNA _Entity.Entry_ID 18891 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name stemIV_telo_RNA _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 ; GGCGAUACACUAUUUAUCGC C ; _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 21 _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 6650.027 _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 . 18891 1 2 . G . 18891 1 3 . C . 18891 1 4 . G . 18891 1 5 . A . 18891 1 6 . U . 18891 1 7 . A . 18891 1 8 . C . 18891 1 9 . A . 18891 1 10 . C . 18891 1 11 . U . 18891 1 12 . A . 18891 1 13 . U . 18891 1 14 . U . 18891 1 15 . U . 18891 1 16 . A . 18891 1 17 . U . 18891 1 18 . C . 18891 1 19 . G . 18891 1 20 . C . 18891 1 21 . C . 18891 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 18891 1 . G 2 2 18891 1 . C 3 3 18891 1 . G 4 4 18891 1 . A 5 5 18891 1 . U 6 6 18891 1 . A 7 7 18891 1 . C 8 8 18891 1 . A 9 9 18891 1 . C 10 10 18891 1 . U 11 11 18891 1 . A 12 12 18891 1 . U 13 13 18891 1 . U 14 14 18891 1 . U 15 15 18891 1 . A 16 16 18891 1 . U 17 17 18891 1 . C 18 18 18891 1 . G 19 19 18891 1 . C 20 20 18891 1 . C 21 21 18891 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 18891 _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 $stemIV_telo_RNA . 5911 organism . 'tetrahymena thermophila' 'tetrahymena thermophila' . . Eukaryota . tetrahymena thermophila . . . . . . . . . . . . . . . . . . . . . 18891 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 18891 _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 $stemIV_telo_RNA . 'enzymatic synthesis' n/a . . . . . . . . . . . . . . . . . . . . . . . . . 'in vitro transcription using T7 polymerase' . . 18891 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18891 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O or 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 stemIV_telo_RNA unlabeled . . 1 $stemIV_telo_RNA . . . 0.6 1.0 mM . . . . 18891 1 2 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 18891 1 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 18891 1 4 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 18891 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18891 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18891 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18891 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18891 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O or 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 stemIV_telo_RNA '13C,15N uniformly labelled' . . 1 $stemIV_telo_RNA . . . 0.6 1.0 mM . . . . 18891 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18891 2 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 18891 2 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 18891 2 5 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 18891 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18891 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18891 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 18891 _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' 20 . mM 18891 1 pH 6.3 . pH 18891 1 pressure 1 . atm 18891 1 temperature 298 . K 18891 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18891 _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' 20 . mM 18891 2 pH 6.3 . M 18891 2 pressure 1 . atm 18891 2 temperature 283 . K 18891 2 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18891 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18891 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18891 1 'structure solution' 18891 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18891 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18891 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18891 2 'peak picking' 18891 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18891 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18891 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18891 3 processing 18891 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18891 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18891 _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 18891 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18891 _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 . 800 . . . 18891 1 2 spectrometer_2 Bruker DRX . 600 . . . 18891 1 3 spectrometer_3 Bruker DRX . 500 . . . 18891 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 18891 _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 '11echo and watergate' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18891 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18891 1 3 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18891 1 4 '2D 15N-HMQC, 2D 15N-CPMG-NOESY, 2D JNN-HNN-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18891 1 5 '2D 13C-HSQCs' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18891 1 6 '2D HCCH COSY, 3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18891 1 7 '3D 1H,13C HMQCs' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18891 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 18891 _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 0.00 na indirect 0.251449530 . . . . . . . . . 18891 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18891 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18891 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 18891 _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 . _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 '11echo and watergate' . . . 18891 1 3 '2D NOESY' . . . 18891 1 5 '2D 13C-HSQCs' . . . 18891 1 6 '2D HCCH COSY, 3D HCCH-TOCSY' . . . 18891 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 12.088 . . 1 . . . A 1 G H1 . 18891 1 2 . 1 1 1 1 G H1' H 1 5.759 . . 1 . . . A 1 G H1' . 18891 1 3 . 1 1 1 1 G H2' H 1 4.880 . . 1 . . . A 1 G H2' . 18891 1 4 . 1 1 1 1 G H3' H 1 4.661 . . 1 . . . A 1 G H3' . 18891 1 5 . 1 1 1 1 G H4' H 1 4.501 . . 1 . . . A 1 G H4' . 18891 1 6 . 1 1 1 1 G H5' H 1 4.342 . . 2 . . . A 1 G H5' . 18891 1 7 . 1 1 1 1 G H5'' H 1 4.214 . . 2 . . . A 1 G H5'' . 18891 1 8 . 1 1 1 1 G H8 H 1 8.068 . . 1 . . . A 1 G H8 . 18891 1 9 . 1 1 1 1 G C1' C 13 89.367 . . 1 . . . A 1 G C1' . 18891 1 10 . 1 1 1 1 G C2' C 13 72.209 . . 1 . . . A 1 G C2' . 18891 1 11 . 1 1 1 1 G C3' C 13 71.226 . . 1 . . . A 1 G C3' . 18891 1 12 . 1 1 1 1 G C4' C 13 80.504 . . 1 . . . A 1 G C4' . 18891 1 13 . 1 1 1 1 G C5' C 13 63.782 . . 1 . . . A 1 G C5' . 18891 1 14 . 1 1 1 1 G C8 C 13 136.636 . . 1 . . . A 1 G C8 . 18891 1 15 . 1 1 1 1 G N1 N 15 146.23 . . 1 . . . A 1 G N1 . 18891 1 16 . 1 1 2 2 G H1 H 1 13.131 . . 1 . . . A 2 G H1 . 18891 1 17 . 1 1 2 2 G H1' H 1 5.854 . . 1 . . . A 2 G H1' . 18891 1 18 . 1 1 2 2 G H2' H 1 4.507 . . 1 . . . A 2 G H2' . 18891 1 19 . 1 1 2 2 G H3' H 1 4.537 . . 1 . . . A 2 G H3' . 18891 1 20 . 1 1 2 2 G H4' H 1 4.466 . . 1 . . . A 2 G H4' . 18891 1 21 . 1 1 2 2 G H5' H 1 4.480 . . 2 . . . A 2 G H5' . 18891 1 22 . 1 1 2 2 G H5'' H 1 4.163 . . 2 . . . A 2 G H5'' . 18891 1 23 . 1 1 2 2 G H8 H 1 7.560 . . 1 . . . A 2 G H8 . 18891 1 24 . 1 1 2 2 G C1' C 13 90.237 . . 1 . . . A 2 G C1' . 18891 1 25 . 1 1 2 2 G C2' C 13 72.618 . . 1 . . . A 2 G C2' . 18891 1 26 . 1 1 2 2 G C3' C 13 69.837 . . 1 . . . A 2 G C3' . 18891 1 27 . 1 1 2 2 G C4' C 13 79.579 . . 1 . . . A 2 G C4' . 18891 1 28 . 1 1 2 2 G C5' C 13 62.937 . . 1 . . . A 2 G C5' . 18891 1 29 . 1 1 2 2 G C8 C 13 136.970 . . 1 . . . A 2 G C8 . 18891 1 30 . 1 1 2 2 G N1 N 15 148.23 . . 1 . . . A 2 G N1 . 18891 1 31 . 1 1 3 3 C H1' H 1 5.500 . . 1 . . . A 3 C H1' . 18891 1 32 . 1 1 3 3 C H2' H 1 4.558 . . 1 . . . A 3 C H2' . 18891 1 33 . 1 1 3 3 C H3' H 1 4.436 . . 1 . . . A 3 C H3' . 18891 1 34 . 1 1 3 3 C H4' H 1 4.353 . . 1 . . . A 3 C H4' . 18891 1 35 . 1 1 3 3 C H5 H 1 5.189 . . 1 . . . A 3 C H5 . 18891 1 36 . 1 1 3 3 C H5' H 1 4.504 . . 2 . . . A 3 C H5' . 18891 1 37 . 1 1 3 3 C H5'' H 1 4.036 . . 2 . . . A 3 C H5'' . 18891 1 38 . 1 1 3 3 C H6 H 1 7.549 . . 1 . . . A 3 C H6 . 18891 1 39 . 1 1 3 3 C H41 H 1 6.526 . . 2 . . . A 3 C H41 . 18891 1 40 . 1 1 3 3 C H42 H 1 8.210 . . 2 . . . A 3 C H42 . 18891 1 41 . 1 1 3 3 C C1' C 13 90.889 . . 1 . . . A 3 C C1' . 18891 1 42 . 1 1 3 3 C C2' C 13 72.817 . . 1 . . . A 3 C C2' . 18891 1 43 . 1 1 3 3 C C3' C 13 69.630 . . 1 . . . A 3 C C3' . 18891 1 44 . 1 1 3 3 C C4' C 13 79.074 . . 1 . . . A 3 C C4' . 18891 1 45 . 1 1 3 3 C C5' C 13 61.837 . . 1 . . . A 3 C C5' . 18891 1 46 . 1 1 3 3 C N4 N 15 98.348 . . 1 . . . A 3 C N4 . 18891 1 47 . 1 1 4 4 G H1 H 1 11.880 . . 1 . . . A 4 G H1 . 18891 1 48 . 1 1 4 4 G H1' H 1 5.656 . . 1 . . . A 4 G H1' . 18891 1 49 . 1 1 4 4 G H2' H 1 4.593 . . 1 . . . A 4 G H2' . 18891 1 50 . 1 1 4 4 G H3' H 1 4.496 . . 1 . . . A 4 G H3' . 18891 1 51 . 1 1 4 4 G H4' H 1 4.434 . . 1 . . . A 4 G H4' . 18891 1 52 . 1 1 4 4 G H5' H 1 4.391 . . 2 . . . A 4 G H5' . 18891 1 53 . 1 1 4 4 G H5'' H 1 4.063 . . 2 . . . A 4 G H5'' . 18891 1 54 . 1 1 4 4 G H8 H 1 7.453 . . 1 . . . A 4 G H8 . 18891 1 55 . 1 1 4 4 G C1' C 13 90.229 . . 1 . . . A 4 G C1' . 18891 1 56 . 1 1 4 4 G C2' C 13 72.527 . . 1 . . . A 4 G C2' . 18891 1 57 . 1 1 4 4 G C3' C 13 70.446 . . 1 . . . A 4 G C3' . 18891 1 58 . 1 1 4 4 G C4' C 13 79.350 . . 1 . . . A 4 G C4' . 18891 1 59 . 1 1 4 4 G C5' C 13 63.575 . . 1 . . . A 4 G C5' . 18891 1 60 . 1 1 4 4 G C8 C 13 133.536 . . 1 . . . A 4 G C8 . 18891 1 61 . 1 1 4 4 G N1 N 15 146.09 . . 1 . . . A 4 G N1 . 18891 1 62 . 1 1 5 5 A H1' H 1 5.874 . . 1 . . . A 5 A H1' . 18891 1 63 . 1 1 5 5 A H2 H 1 7.447 . . 1 . . . A 5 A H2 . 18891 1 64 . 1 1 5 5 A H2' H 1 4.413 . . 1 . . . A 5 A H2' . 18891 1 65 . 1 1 5 5 A H3' H 1 4.537 . . 1 . . . A 5 A H3' . 18891 1 66 . 1 1 5 5 A H4' H 1 4.440 . . 1 . . . A 5 A H4' . 18891 1 67 . 1 1 5 5 A H5' H 1 4.527 . . 2 . . . A 5 A H5' . 18891 1 68 . 1 1 5 5 A H5'' H 1 4.064 . . 2 . . . A 5 A H5'' . 18891 1 69 . 1 1 5 5 A H8 H 1 7.753 . . 1 . . . A 5 A H8 . 18891 1 70 . 1 1 5 5 A C1' C 13 90.319 . . 1 . . . A 5 A C1' . 18891 1 71 . 1 1 5 5 A C2 C 13 151.079 . . 1 . . . A 5 A C2 . 18891 1 72 . 1 1 5 5 A C2' C 13 73.072 . . 1 . . . A 5 A C2' . 18891 1 73 . 1 1 5 5 A C3' C 13 69.783 . . 1 . . . A 5 A C3' . 18891 1 74 . 1 1 5 5 A C4' C 13 79.410 . . 1 . . . A 5 A C4' . 18891 1 75 . 1 1 5 5 A C5' C 13 62.162 . . 1 . . . A 5 A C5' . 18891 1 76 . 1 1 5 5 A C8 C 13 136.752 . . 1 . . . A 5 A C8 . 18891 1 77 . 1 1 5 5 A N1 N 15 212.467 . . 1 . . . A 5 A N1 . 18891 1 78 . 1 1 5 5 A N3 N 15 222.031 . . 1 . . . A 5 A N3 . 18891 1 79 . 1 1 5 5 A N6 N 15 83.899 . . 1 . . . A 5 A N6 . 18891 1 80 . 1 1 6 6 U H1' H 1 5.381 . . 1 . . . A 6 U H1' . 18891 1 81 . 1 1 6 6 U H2' H 1 4.272 . . 1 . . . A 6 U H2' . 18891 1 82 . 1 1 6 6 U H3 H 1 12.996 . . 1 . . . A 6 U H3 . 18891 1 83 . 1 1 6 6 U H3' H 1 4.422 . . 1 . . . A 6 U H3' . 18891 1 84 . 1 1 6 6 U H4' H 1 4.329 . . 1 . . . A 6 U H4' . 18891 1 85 . 1 1 6 6 U H5 H 1 5.001 . . 1 . . . A 6 U H5 . 18891 1 86 . 1 1 6 6 U H5' H 1 4.300 . . 2 . . . A 6 U H5' . 18891 1 87 . 1 1 6 6 U H5'' H 1 3.978 . . 2 . . . A 6 U H5'' . 18891 1 88 . 1 1 6 6 U H6 H 1 7.502 . . 1 . . . A 6 U H6 . 18891 1 89 . 1 1 6 6 U C1' C 13 90.229 . . 1 . . . A 6 U C1' . 18891 1 90 . 1 1 6 6 U C2' C 13 72.663 . . 1 . . . A 6 U C2' . 18891 1 91 . 1 1 6 6 U C3' C 13 69.421 . . 1 . . . A 6 U C3' . 18891 1 92 . 1 1 6 6 U C4' C 13 79.244 . . 1 . . . A 6 U C4' . 18891 1 93 . 1 1 6 6 U C5 C 13 100.262 . . 1 . . . A 6 U C5 . 18891 1 94 . 1 1 6 6 U C5' C 13 62.815 . . 1 . . . A 6 U C5' . 18891 1 95 . 1 1 6 6 U C6 C 13 138.213 . . 1 . . . A 6 U C6 . 18891 1 96 . 1 1 6 6 U N3 N 15 161.25 . . 1 . . . A 6 U N3 . 18891 1 97 . 1 1 7 7 A H1' H 1 5.903 . . 1 . . . A 7 A H1' . 18891 1 98 . 1 1 7 7 A H2 H 1 7.013 . . 1 . . . A 7 A H2 . 18891 1 99 . 1 1 7 7 A H2' H 1 4.362 . . 1 . . . A 7 A H2' . 18891 1 100 . 1 1 7 7 A H3' H 1 4.527 . . 1 . . . A 7 A H3' . 18891 1 101 . 1 1 7 7 A H4' H 1 4.435 . . 1 . . . A 7 A H4' . 18891 1 102 . 1 1 7 7 A H5' H 1 4.414 . . 2 . . . A 7 A H5' . 18891 1 103 . 1 1 7 7 A H5'' H 1 4.074 . . 2 . . . A 7 A H5'' . 18891 1 104 . 1 1 7 7 A H8 H 1 7.984 . . 1 . . . A 7 A H8 . 18891 1 105 . 1 1 7 7 A H61 H 1 6.220 . . 2 . . . A 7 A H61 . 18891 1 106 . 1 1 7 7 A H62 H 1 7.527 . . 2 . . . A 7 A H62 . 18891 1 107 . 1 1 7 7 A C1' C 13 89.128 . . 1 . . . A 7 A C1' . 18891 1 108 . 1 1 7 7 A C2 C 13 150.569 . . 1 . . . A 7 A C2 . 18891 1 109 . 1 1 7 7 A C2' C 13 73.380 . . 1 . . . A 7 A C2' . 18891 1 110 . 1 1 7 7 A C3' C 13 70.890 . . 1 . . . A 7 A C3' . 18891 1 111 . 1 1 7 7 A C4' C 13 80.086 . . 1 . . . A 7 A C4' . 18891 1 112 . 1 1 7 7 A C5' C 13 63.013 . . 1 . . . A 7 A C5' . 18891 1 113 . 1 1 7 7 A C8 C 13 136.915 . . 1 . . . A 7 A C8 . 18891 1 114 . 1 1 7 7 A N1 N 15 213.217 . . 1 . . . A 7 A N1 . 18891 1 115 . 1 1 7 7 A N3 N 15 222.204 . . 1 . . . A 7 A N3 . 18891 1 116 . 1 1 7 7 A N6 N 15 83.088 . . 1 . . . A 7 A N6 . 18891 1 117 . 1 1 8 8 C H1' H 1 5.374 . . 1 . . . A 8 C H1' . 18891 1 118 . 1 1 8 8 C H2' H 1 4.184 . . 1 . . . A 8 C H2' . 18891 1 119 . 1 1 8 8 C H3' H 1 4.314 . . 1 . . . A 8 C H3' . 18891 1 120 . 1 1 8 8 C H4' H 1 4.270 . . 1 . . . A 8 C H4' . 18891 1 121 . 1 1 8 8 C H5 H 1 5.158 . . 1 . . . A 8 C H5 . 18891 1 122 . 1 1 8 8 C H5' H 1 4.475 . . 2 . . . A 8 C H5' . 18891 1 123 . 1 1 8 8 C H5'' H 1 3.990 . . 2 . . . A 8 C H5'' . 18891 1 124 . 1 1 8 8 C H6 H 1 7.259 . . 1 . . . A 8 C H6 . 18891 1 125 . 1 1 8 8 C C1' C 13 90.412 . . 1 . . . A 8 C C1' . 18891 1 126 . 1 1 8 8 C C2' C 13 72.984 . . 1 . . . A 8 C C2' . 18891 1 127 . 1 1 8 8 C C3' C 13 70.808 . . 1 . . . A 8 C C3' . 18891 1 128 . 1 1 8 8 C C4' C 13 80.012 . . 1 . . . A 8 C C4' . 18891 1 129 . 1 1 8 8 C C5 C 13 94.703 . . 1 . . . A 8 C C5 . 18891 1 130 . 1 1 8 8 C C5' C 13 61.783 . . 1 . . . A 8 C C5' . 18891 1 131 . 1 1 8 8 C C6 C 13 138.448 . . 1 . . . A 8 C C6 . 18891 1 132 . 1 1 9 9 A H1' H 1 5.885 . . 1 . . . A 9 A H1' . 18891 1 133 . 1 1 9 9 A H2 H 1 7.762 . . 1 . . . A 9 A H2 . 18891 1 134 . 1 1 9 9 A H2' H 1 4.396 . . 1 . . . A 9 A H2' . 18891 1 135 . 1 1 9 9 A H3' H 1 4.500 . . 1 . . . A 9 A H3' . 18891 1 136 . 1 1 9 9 A H4' H 1 4.359 . . 1 . . . A 9 A H4' . 18891 1 137 . 1 1 9 9 A H5' H 1 4.286 . . 2 . . . A 9 A H5' . 18891 1 138 . 1 1 9 9 A H5'' H 1 4.030 . . 2 . . . A 9 A H5'' . 18891 1 139 . 1 1 9 9 A H8 H 1 7.931 . . 1 . . . A 9 A H8 . 18891 1 140 . 1 1 9 9 A C1' C 13 89.345 . . 1 . . . A 9 A C1' . 18891 1 141 . 1 1 9 9 A C2 C 13 152.084 . . 1 . . . A 9 A C2 . 18891 1 142 . 1 1 9 9 A C2' C 13 73.263 . . 1 . . . A 9 A C2' . 18891 1 143 . 1 1 9 9 A C3' C 13 71.037 . . 1 . . . A 9 A C3' . 18891 1 144 . 1 1 9 9 A C4' C 13 80.461 . . 1 . . . A 9 A C4' . 18891 1 145 . 1 1 9 9 A C5' C 13 63.087 . . 1 . . . A 9 A C5' . 18891 1 146 . 1 1 9 9 A C8 C 13 137.471 . . 1 . . . A 9 A C8 . 18891 1 147 . 1 1 10 10 C H1' H 1 5.428 . . 1 . . . A 10 C H1' . 18891 1 148 . 1 1 10 10 C H2' H 1 3.980 . . 1 . . . A 10 C H2' . 18891 1 149 . 1 1 10 10 C H3' H 1 4.358 . . 1 . . . A 10 C H3' . 18891 1 150 . 1 1 10 10 C H4' H 1 3.977 . . 1 . . . A 10 C H4' . 18891 1 151 . 1 1 10 10 C H5 H 1 5.428 . . 1 . . . A 10 C H5 . 18891 1 152 . 1 1 10 10 C H5' H 1 4.141 . . 2 . . . A 10 C H5' . 18891 1 153 . 1 1 10 10 C H5'' H 1 3.916 . . 2 . . . A 10 C H5'' . 18891 1 154 . 1 1 10 10 C H6 H 1 7.336 . . 1 . . . A 10 C H6 . 18891 1 155 . 1 1 10 10 C C1' C 13 88.587 . . 1 . . . A 10 C C1' . 18891 1 156 . 1 1 10 10 C C2' C 13 73.278 . . 1 . . . A 10 C C2' . 18891 1 157 . 1 1 10 10 C C3' C 13 73.171 . . 1 . . . A 10 C C3' . 18891 1 158 . 1 1 10 10 C C4' C 13 81.413 . . 1 . . . A 10 C C4' . 18891 1 159 . 1 1 10 10 C C5 C 13 94.408 . . 1 . . . A 10 C C5 . 18891 1 160 . 1 1 10 10 C C5' C 13 63.857 . . 1 . . . A 10 C C5' . 18891 1 161 . 1 1 10 10 C C6 C 13 139.629 . . 1 . . . A 10 C C6 . 18891 1 162 . 1 1 11 11 U H1' H 1 5.698 . . 1 . . . A 11 U H1' . 18891 1 163 . 1 1 11 11 U H2' H 1 4.131 . . 1 . . . A 11 U H2' . 18891 1 164 . 1 1 11 11 U H3' H 1 4.393 . . 1 . . . A 11 U H3' . 18891 1 165 . 1 1 11 11 U H4' H 1 4.131 . . 1 . . . A 11 U H4' . 18891 1 166 . 1 1 11 11 U H5 H 1 5.702 . . 1 . . . A 11 U H5 . 18891 1 167 . 1 1 11 11 U H5' H 1 3.824 . . 2 . . . A 11 U H5' . 18891 1 168 . 1 1 11 11 U H5'' H 1 3.780 . . 2 . . . A 11 U H5'' . 18891 1 169 . 1 1 11 11 U H6 H 1 7.571 . . 1 . . . A 11 U H6 . 18891 1 170 . 1 1 11 11 U C1' C 13 87.059 . . 1 . . . A 11 U C1' . 18891 1 171 . 1 1 11 11 U C2' C 13 72.827 . . 1 . . . A 11 U C2' . 18891 1 172 . 1 1 11 11 U C3' C 13 74.632 . . 1 . . . A 11 U C3' . 18891 1 173 . 1 1 11 11 U C4' C 13 81.906 . . 1 . . . A 11 U C4' . 18891 1 174 . 1 1 11 11 U C5 C 13 102.670 . . 1 . . . A 11 U C5 . 18891 1 175 . 1 1 11 11 U C5' C 13 64.832 . . 1 . . . A 11 U C5' . 18891 1 176 . 1 1 11 11 U C6 C 13 140.715 . . 1 . . . A 11 U C6 . 18891 1 177 . 1 1 12 12 A H1' H 1 5.875 . . 1 . . . A 12 A H1' . 18891 1 178 . 1 1 12 12 A H2 H 1 7.885 . . 1 . . . A 12 A H2 . 18891 1 179 . 1 1 12 12 A H2' H 1 4.758 . . 1 . . . A 12 A H2' . 18891 1 180 . 1 1 12 12 A H3' H 1 4.776 . . 1 . . . A 12 A H3' . 18891 1 181 . 1 1 12 12 A H4' H 1 4.392 . . 1 . . . A 12 A H4' . 18891 1 182 . 1 1 12 12 A H5' H 1 4.169 . . 2 . . . A 12 A H5' . 18891 1 183 . 1 1 12 12 A H5'' H 1 4.031 . . 2 . . . A 12 A H5'' . 18891 1 184 . 1 1 12 12 A H8 H 1 8.214 . . 1 . . . A 12 A H8 . 18891 1 185 . 1 1 12 12 A C1' C 13 88.015 . . 1 . . . A 12 A C1' . 18891 1 186 . 1 1 12 12 A C2 C 13 152.197 . . 1 . . . A 12 A C2 . 18891 1 187 . 1 1 12 12 A C2' C 13 72.968 . . 1 . . . A 12 A C2' . 18891 1 188 . 1 1 12 12 A C3' C 13 73.064 . . 1 . . . A 12 A C3' . 18891 1 189 . 1 1 12 12 A C4' C 13 81.805 . . 1 . . . A 12 A C4' . 18891 1 190 . 1 1 12 12 A C5' C 13 64.799 . . 1 . . . A 12 A C5' . 18891 1 191 . 1 1 12 12 A C8 C 13 139.412 . . 1 . . . A 12 A C8 . 18891 1 192 . 1 1 13 13 U H1' H 1 5.862 . . 1 . . . A 13 U H1' . 18891 1 193 . 1 1 13 13 U H2' H 1 4.325 . . 1 . . . A 13 U H2' . 18891 1 194 . 1 1 13 13 U H3' H 1 4.619 . . 1 . . . A 13 U H3' . 18891 1 195 . 1 1 13 13 U H4' H 1 4.439 . . 1 . . . A 13 U H4' . 18891 1 196 . 1 1 13 13 U H5 H 1 5.667 . . 1 . . . A 13 U H5 . 18891 1 197 . 1 1 13 13 U H5' H 1 4.251 . . 2 . . . A 13 U H5' . 18891 1 198 . 1 1 13 13 U H5'' H 1 4.156 . . 2 . . . A 13 U H5'' . 18891 1 199 . 1 1 13 13 U H6 H 1 7.717 . . 1 . . . A 13 U H6 . 18891 1 200 . 1 1 13 13 U C1' C 13 87.894 . . 1 . . . A 13 U C1' . 18891 1 201 . 1 1 13 13 U C2' C 13 72.899 . . 1 . . . A 13 U C2' . 18891 1 202 . 1 1 13 13 U C3' C 13 74.086 . . 1 . . . A 13 U C3' . 18891 1 203 . 1 1 13 13 U C4' C 13 82.371 . . 1 . . . A 13 U C4' . 18891 1 204 . 1 1 13 13 U C5 C 13 102.471 . . 1 . . . A 13 U C5 . 18891 1 205 . 1 1 13 13 U C5' C 13 64.987 . . 1 . . . A 13 U C5' . 18891 1 206 . 1 1 13 13 U C6 C 13 140.403 . . 1 . . . A 13 U C6 . 18891 1 207 . 1 1 14 14 U H1' H 1 5.560 . . 1 . . . A 14 U H1' . 18891 1 208 . 1 1 14 14 U H2' H 1 4.235 . . 1 . . . A 14 U H2' . 18891 1 209 . 1 1 14 14 U H3' H 1 4.370 . . 1 . . . A 14 U H3' . 18891 1 210 . 1 1 14 14 U H4' H 1 4.295 . . 1 . . . A 14 U H4' . 18891 1 211 . 1 1 14 14 U H5 H 1 5.716 . . 1 . . . A 14 U H5 . 18891 1 212 . 1 1 14 14 U H5' H 1 4.194 . . 2 . . . A 14 U H5' . 18891 1 213 . 1 1 14 14 U H5'' H 1 4.081 . . 2 . . . A 14 U H5'' . 18891 1 214 . 1 1 14 14 U H6 H 1 7.715 . . 1 . . . A 14 U H6 . 18891 1 215 . 1 1 14 14 U C1' C 13 90.499 . . 1 . . . A 14 U C1' . 18891 1 216 . 1 1 14 14 U C2' C 13 72.673 . . 1 . . . A 14 U C2' . 18891 1 217 . 1 1 14 14 U C3' C 13 71.986 . . 1 . . . A 14 U C3' . 18891 1 218 . 1 1 14 14 U C4' C 13 80.889 . . 1 . . . A 14 U C4' . 18891 1 219 . 1 1 14 14 U C5 C 13 101.658 . . 1 . . . A 14 U C5 . 18891 1 220 . 1 1 14 14 U C5' C 13 64.589 . . 1 . . . A 14 U C5' . 18891 1 221 . 1 1 14 14 U C6 C 13 140.660 . . 1 . . . A 14 U C6 . 18891 1 222 . 1 1 15 15 U H1' H 1 5.651 . . 1 . . . A 15 U H1' . 18891 1 223 . 1 1 15 15 U H2' H 1 4.607 . . 1 . . . A 15 U H2' . 18891 1 224 . 1 1 15 15 U H3 H 1 13.295 . . 1 . . . A 15 U H3 . 18891 1 225 . 1 1 15 15 U H3' H 1 4.615 . . 1 . . . A 15 U H3' . 18891 1 226 . 1 1 15 15 U H4' H 1 4.397 . . 1 . . . A 15 U H4' . 18891 1 227 . 1 1 15 15 U H5 H 1 5.702 . . 1 . . . A 15 U H5 . 18891 1 228 . 1 1 15 15 U H5' H 1 4.370 . . 2 . . . A 15 U H5' . 18891 1 229 . 1 1 15 15 U H5'' H 1 4.097 . . 2 . . . A 15 U H5'' . 18891 1 230 . 1 1 15 15 U H6 H 1 7.913 . . 1 . . . A 15 U H6 . 18891 1 231 . 1 1 15 15 U C1' C 13 89.668 . . 1 . . . A 15 U C1' . 18891 1 232 . 1 1 15 15 U C2' C 13 72.353 . . 1 . . . A 15 U C2' . 18891 1 233 . 1 1 15 15 U C3' C 13 71.100 . . 1 . . . A 15 U C3' . 18891 1 234 . 1 1 15 15 U C4' C 13 80.131 . . 1 . . . A 15 U C4' . 18891 1 235 . 1 1 15 15 U C5 C 13 101.397 . . 1 . . . A 15 U C5 . 18891 1 236 . 1 1 15 15 U C5' C 13 62.966 . . 1 . . . A 15 U C5' . 18891 1 237 . 1 1 15 15 U C6 C 13 140.023 . . 1 . . . A 15 U C6 . 18891 1 238 . 1 1 15 15 U N1 N 15 161.93 . . 1 . . . A 15 U N1 . 18891 1 239 . 1 1 16 16 A H1' H 1 5.965 . . 1 . . . A 16 A H1' . 18891 1 240 . 1 1 16 16 A H2 H 1 7.124 . . 1 . . . A 16 A H2 . 18891 1 241 . 1 1 16 16 A H2' H 1 4.448 . . 1 . . . A 16 A H2' . 18891 1 242 . 1 1 16 16 A H3' H 1 4.547 . . 1 . . . A 16 A H3' . 18891 1 243 . 1 1 16 16 A H4' H 1 4.504 . . 1 . . . A 16 A H4' . 18891 1 244 . 1 1 16 16 A H5' H 1 4.446 . . 2 . . . A 16 A H5' . 18891 1 245 . 1 1 16 16 A H5'' H 1 4.228 . . 2 . . . A 16 A H5'' . 18891 1 246 . 1 1 16 16 A H8 H 1 8.244 . . 1 . . . A 16 A H8 . 18891 1 247 . 1 1 16 16 A C1' C 13 90.234 . . 1 . . . A 16 A C1' . 18891 1 248 . 1 1 16 16 A C2 C 13 150.469 . . 1 . . . A 16 A C2 . 18891 1 249 . 1 1 16 16 A C2' C 13 72.722 . . 1 . . . A 16 A C2' . 18891 1 250 . 1 1 16 16 A C3' C 13 70.539 . . 1 . . . A 16 A C3' . 18891 1 251 . 1 1 16 16 A C4' C 13 79.788 . . 1 . . . A 16 A C4' . 18891 1 252 . 1 1 16 16 A C5' C 13 63.681 . . 1 . . . A 16 A C5' . 18891 1 253 . 1 1 16 16 A C8 C 13 137.707 . . 1 . . . A 16 A C8 . 18891 1 254 . 1 1 16 16 A N1 N 15 212.794 . . 1 . . . A 16 A N1 . 18891 1 255 . 1 1 16 16 A N3 N 15 222.146 . . 1 . . . A 16 A N3 . 18891 1 256 . 1 1 16 16 A N6 N 15 83.920 . . 1 . . . A 16 A N6 . 18891 1 257 . 1 1 17 17 U H1' H 1 5.399 . . 1 . . . A 17 U H1' . 18891 1 258 . 1 1 17 17 U H2' H 1 4.278 . . 1 . . . A 17 U H2' . 18891 1 259 . 1 1 17 17 U H3 H 1 13.890 . . 1 . . . A 17 U H3 . 18891 1 260 . 1 1 17 17 U H3' H 1 4.353 . . 1 . . . A 17 U H3' . 18891 1 261 . 1 1 17 17 U H4' H 1 4.336 . . 1 . . . A 17 U H4' . 18891 1 262 . 1 1 17 17 U H5 H 1 4.960 . . 1 . . . A 17 U H5 . 18891 1 263 . 1 1 17 17 U H5' H 1 4.476 . . 2 . . . A 17 U H5' . 18891 1 264 . 1 1 17 17 U H5'' H 1 4.013 . . 2 . . . A 17 U H5'' . 18891 1 265 . 1 1 17 17 U H6 H 1 7.583 . . 1 . . . A 17 U H6 . 18891 1 266 . 1 1 17 17 U C1' C 13 90.506 . . 1 . . . A 17 U C1' . 18891 1 267 . 1 1 17 17 U C2' C 13 72.659 . . 1 . . . A 17 U C2' . 18891 1 268 . 1 1 17 17 U C3' C 13 69.407 . . 1 . . . A 17 U C3' . 18891 1 269 . 1 1 17 17 U C4' C 13 79.246 . . 1 . . . A 17 U C4' . 18891 1 270 . 1 1 17 17 U C5 C 13 99.787 . . 1 . . . A 17 U C5 . 18891 1 271 . 1 1 17 17 U C5' C 13 61.763 . . 1 . . . A 17 U C5' . 18891 1 272 . 1 1 17 17 U C6 C 13 138.884 . . 1 . . . A 17 U C6 . 18891 1 273 . 1 1 18 18 C H1' H 1 5.490 . . 1 . . . A 18 C H1' . 18891 1 274 . 1 1 18 18 C H2' H 1 4.413 . . 1 . . . A 18 C H2' . 18891 1 275 . 1 1 18 18 C H3' H 1 4.436 . . 1 . . . A 18 C H3' . 18891 1 276 . 1 1 18 18 C H4' H 1 4.353 . . 1 . . . A 18 C H4' . 18891 1 277 . 1 1 18 18 C H5 H 1 5.514 . . 1 . . . A 18 C H5 . 18891 1 278 . 1 1 18 18 C H5' H 1 4.420 . . 2 . . . A 18 C H5' . 18891 1 279 . 1 1 18 18 C H5'' H 1 4.019 . . 2 . . . A 18 C H5'' . 18891 1 280 . 1 1 18 18 C H6 H 1 7.699 . . 1 . . . A 18 C H6 . 18891 1 281 . 1 1 18 18 C H41 H 1 6.591 . . 2 . . . A 18 C H41 . 18891 1 282 . 1 1 18 18 C H42 H 1 8.121 . . 2 . . . A 18 C H42 . 18891 1 283 . 1 1 18 18 C C1' C 13 90.889 . . 1 . . . A 18 C C1' . 18891 1 284 . 1 1 18 18 C C2' C 13 72.702 . . 1 . . . A 18 C C2' . 18891 1 285 . 1 1 18 18 C C3' C 13 69.630 . . 1 . . . A 18 C C3' . 18891 1 286 . 1 1 18 18 C C4' C 13 79.031 . . 1 . . . A 18 C C4' . 18891 1 287 . 1 1 18 18 C C5 C 13 95.215 . . 1 . . . A 18 C C5 . 18891 1 288 . 1 1 18 18 C C5' C 13 62.341 . . 1 . . . A 18 C C5' . 18891 1 289 . 1 1 18 18 C C6 C 13 138.432 . . 1 . . . A 18 C C6 . 18891 1 290 . 1 1 18 18 C N4 N 15 97.728 . . 1 . . . A 18 C N4 . 18891 1 291 . 1 1 19 19 G H1 H 1 12.584 . . 1 . . . A 19 G H1 . 18891 1 292 . 1 1 19 19 G H1' H 1 5.597 . . 1 . . . A 19 G H1' . 18891 1 293 . 1 1 19 19 G H2' H 1 4.442 . . 1 . . . A 19 G H2' . 18891 1 294 . 1 1 19 19 G H3' H 1 4.468 . . 1 . . . A 19 G H3' . 18891 1 295 . 1 1 19 19 G H4' H 1 4.376 . . 1 . . . A 19 G H4' . 18891 1 296 . 1 1 19 19 G H5' H 1 4.421 . . 2 . . . A 19 G H5' . 18891 1 297 . 1 1 19 19 G H5'' H 1 4.022 . . 2 . . . A 19 G H5'' . 18891 1 298 . 1 1 19 19 G H8 H 1 7.508 . . 1 . . . A 19 G H8 . 18891 1 299 . 1 1 19 19 G C1' C 13 90.177 . . 1 . . . A 19 G C1' . 18891 1 300 . 1 1 19 19 G C2' C 13 72.460 . . 1 . . . A 19 G C2' . 18891 1 301 . 1 1 19 19 G C3' C 13 69.919 . . 1 . . . A 19 G C3' . 18891 1 302 . 1 1 19 19 G C4' C 13 79.345 . . 1 . . . A 19 G C4' . 18891 1 303 . 1 1 19 19 G C5' C 13 62.734 . . 1 . . . A 19 G C5' . 18891 1 304 . 1 1 19 19 G C8 C 13 133.414 . . 1 . . . A 19 G C8 . 18891 1 305 . 1 1 19 19 G N1 N 15 147.47 . . 1 . . . A 19 G N1 . 18891 1 306 . 1 1 20 20 C H1' H 1 5.460 . . 1 . . . A 20 C H1' . 18891 1 307 . 1 1 20 20 C H2' H 1 4.189 . . 1 . . . A 20 C H2' . 18891 1 308 . 1 1 20 20 C H3' H 1 4.372 . . 1 . . . A 20 C H3' . 18891 1 309 . 1 1 20 20 C H4' H 1 4.311 . . 1 . . . A 20 C H4' . 18891 1 310 . 1 1 20 20 C H5 H 1 5.122 . . 1 . . . A 20 C H5 . 18891 1 311 . 1 1 20 20 C H5' H 1 4.472 . . 2 . . . A 20 C H5' . 18891 1 312 . 1 1 20 20 C H5'' H 1 3.965 . . 2 . . . A 20 C H5'' . 18891 1 313 . 1 1 20 20 C H6 H 1 7.623 . . 1 . . . A 20 C H6 . 18891 1 314 . 1 1 20 20 C H41 H 1 6.686 . . 2 . . . A 20 C H41 . 18891 1 315 . 1 1 20 20 C H42 H 1 8.334 . . 2 . . . A 20 C H42 . 18891 1 316 . 1 1 20 20 C C1' C 13 91.331 . . 1 . . . A 20 C C1' . 18891 1 317 . 1 1 20 20 C C2' C 13 72.875 . . 1 . . . A 20 C C2' . 18891 1 318 . 1 1 20 20 C C3' C 13 69.055 . . 1 . . . A 20 C C3' . 18891 1 319 . 1 1 20 20 C C4' C 13 79.166 . . 1 . . . A 20 C C4' . 18891 1 320 . 1 1 20 20 C C5 C 13 94.071 . . 1 . . . A 20 C C5 . 18891 1 321 . 1 1 20 20 C C5' C 13 61.546 . . 1 . . . A 20 C C5' . 18891 1 322 . 1 1 20 20 C C6 C 13 138.406 . . 1 . . . A 20 C C6 . 18891 1 323 . 1 1 20 20 C N4 N 15 99.108 . . 1 . . . A 20 C N4 . 18891 1 324 . 1 1 21 21 C H1' H 1 5.691 . . 1 . . . A 21 C H1' . 18891 1 325 . 1 1 21 21 C H2' H 1 3.941 . . 1 . . . A 21 C H2' . 18891 1 326 . 1 1 21 21 C H3' H 1 4.096 . . 1 . . . A 21 C H3' . 18891 1 327 . 1 1 21 21 C H4' H 1 4.085 . . 1 . . . A 21 C H4' . 18891 1 328 . 1 1 21 21 C H5 H 1 5.445 . . 1 . . . A 21 C H5 . 18891 1 329 . 1 1 21 21 C H5' H 1 4.401 . . 2 . . . A 21 C H5' . 18891 1 330 . 1 1 21 21 C H5'' H 1 3.946 . . 2 . . . A 21 C H5'' . 18891 1 331 . 1 1 21 21 C H6 H 1 7.602 . . 1 . . . A 21 C H6 . 18891 1 332 . 1 1 21 21 C H41 H 1 6.838 . . 2 . . . A 21 C H41 . 18891 1 333 . 1 1 21 21 C H42 H 1 8.216 . . 2 . . . A 21 C H42 . 18891 1 334 . 1 1 21 21 C C1' C 13 90.207 . . 1 . . . A 21 C C1' . 18891 1 335 . 1 1 21 21 C C2' C 13 74.801 . . 1 . . . A 21 C C2' . 18891 1 336 . 1 1 21 21 C C3' C 13 66.737 . . 1 . . . A 21 C C3' . 18891 1 337 . 1 1 21 21 C C4' C 13 80.655 . . 1 . . . A 21 C C4' . 18891 1 338 . 1 1 21 21 C C5 C 13 95.290 . . 1 . . . A 21 C C5 . 18891 1 339 . 1 1 21 21 C C5' C 13 62.287 . . 1 . . . A 21 C C5' . 18891 1 340 . 1 1 21 21 C C6 C 13 138.884 . . 1 . . . A 21 C C6 . 18891 1 341 . 1 1 21 21 C N4 N 15 97.517 . . 1 . . . A 21 C N4 . 18891 1 stop_ save_