data_15080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15080 _Entry.Title ; U2 snRNA stem I from S. cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-15 _Entry.Accession_date 2006-12-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Dipali Sashital . G. . 15080 2 Vincenzo Venditti . . . 15080 3 Cortney Angers . G. . 15080 4 Gabriel Cornilescu . . . 15080 5 Samuel Butcher . E. . 15080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 133 15080 '1H chemical shifts' 177 15080 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 2 . . 2008-07-17 2006-12-15 update BMRB 'complete entry citation' 15080 1 . . 2007-02-02 2006-12-15 original author 'original release' 15080 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15081 'Chemical shifts of human U2 Stem I' 15080 PDB 2O32 'BMRB Entry Tracking System' 15080 PDB 2O33 'BMRB Entry Tracking System' 15080 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17242306 _Citation.Full_citation . _Citation.Title ; Structure and thermodynamics of a conserved U2 snRNA domain from yeast and human ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full RNA _Citation.Journal_volume 13 _Citation.Journal_issue 3 _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 328 _Citation.Page_last 338 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dipali Sashital . G. . 15080 1 2 Vincenzo Venditti . . . 15080 1 3 Cortney Angers . G. . 15080 1 4 Gabriel Cornilescu . . . 15080 1 5 Samuel Butcher . E. . 15080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15080 _Assembly.ID 1 _Assembly.Name 'Yeast U2 stem I' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Yeast U2 stem I' 1 $Yeast_U2_Stem_I A . yes native no no . . . 15080 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 2O33 . . 'solution NMR' . structure . 15080 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID splicing 15080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yeast_U2_Stem_I _Entity.Sf_category entity _Entity.Sf_framecode Yeast_U2_Stem_I _Entity.Entry_ID 15080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Yeast_U2_Stem_I _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 ; GGUUUGCCUUUUGGCUUACC ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID splicing 15080 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 15080 1 2 . G . 15080 1 3 . U . 15080 1 4 . U . 15080 1 5 . U . 15080 1 6 . G . 15080 1 7 . C . 15080 1 8 . C . 15080 1 9 . U . 15080 1 10 . U . 15080 1 11 . U . 15080 1 12 . U . 15080 1 13 . G . 15080 1 14 . G . 15080 1 15 . C . 15080 1 16 . U . 15080 1 17 . U . 15080 1 18 . A . 15080 1 19 . C . 15080 1 20 . C . 15080 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 15080 1 . G 2 2 15080 1 . U 3 3 15080 1 . U 4 4 15080 1 . U 5 5 15080 1 . G 6 6 15080 1 . C 7 7 15080 1 . C 8 8 15080 1 . U 9 9 15080 1 . U 10 10 15080 1 . U 11 11 15080 1 . U 12 12 15080 1 . G 13 13 15080 1 . G 14 14 15080 1 . C 15 15 15080 1 . U 16 16 15080 1 . U 17 17 15080 1 . A 18 18 15080 1 . C 19 19 15080 1 . C 20 20 15080 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 15080 _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 $Yeast_U2_Stem_I . 4932 organism . 'Saccharomyces cerevisiae' Yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 15080 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 15080 _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 $Yeast_U2_Stem_I . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'In vitro transcription using T7 polymerase' . . 15080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15080 _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 'Yeast U2 Stem I' 'natural abundance' . . 1 $Yeast_U2_Stem_I . . 0.5 . . mM . . . . 15080 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15080 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15080 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15080 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15080 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Yeast U2 Stem I' 'natural abundance' . . 1 $Yeast_U2_Stem_I . . 0.5 . . mM . . . . 15080 2 2 D2O 'natural abundance' . . . . . . 99.99 . . % . . . . 15080 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15080 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15080 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Yeast U2 Stem I' '[U-100% 13C; U-100% 15N]' . . 1 $Yeast_U2_Stem_I . . 0.4 . . mM . . . . 15080 3 2 D2O 'natural abundance' . . . . . . 99.99 . . % . . . . 15080 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15080 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15080 _Sample.ID 4 _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 'Yeast U2 Stem I' '[U-100% 13C; U-100% 15N]' . . 1 $Yeast_U2_Stem_I . . 0.4 . . mM . . . . 15080 4 2 D2O 'natural abundance' . . . . . . 99.99 . . % . . . . 15080 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15080 4 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15080 4 5 'Pf1 phage' 'natural abundance' . . . . . . 17 . . w/v . . . . 15080 4 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 15080 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15080 1 pH 7 . pH 15080 1 pressure 1 . bar 15080 1 temperature 283 . K 15080 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 15080 _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 pH 7.0 . pH 15080 2 temperature 303 . K 15080 2 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15080 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15080 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15080 1 processing 15080 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15080 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15080 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15080 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15080 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15080 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15080 3 'data analysis' 15080 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15080 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15080 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15080 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15080 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15080 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15080 5 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 15080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15080 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15080 _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 DMX . 750 . . . 15080 1 2 spectrometer_2 Varian INOVA . 900 . . . 15080 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 15080 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15080 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 1 6 '2D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 1 7 '2D J-modulated CT HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 1 8 '2D hd-ECOSY-TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 1 9 '2D J-modulated CT HSQC' no . . . . . . . . . . 4 $sample_4 anisotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 1 10 '2D hd-ECOSY-TROSY' no . . . . . . . . . . 4 $sample_4 anisotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15080 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 15080 _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 external indirect 0.251449530 . . . . . . . . . 15080 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . . . . . 15080 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 15080 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 '2D 1H-1H NOESY' . . . 15080 1 2 '2D 1H-1H NOESY' . . . 15080 1 4 '2D 1H-1H COSY' . . . 15080 1 5 '3D HCCH-TOCSY' . . . 15080 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 C1' C 13 91.505 0.573 . 1 . . . . 1 G C1' . 15080 1 2 . 1 1 1 1 G C2' C 13 75.323 0.082 . 1 . . . . 1 G C2' . 15080 1 3 . 1 1 1 1 G C3' C 13 75.482 0.720 . 1 . . . . 1 G C3' . 15080 1 4 . 1 1 1 1 G C4' C 13 83.805 0.096 . 1 . . . . 1 G C4' . 15080 1 5 . 1 1 1 1 G C8 C 13 139.230 0.000 . 1 . . . . 1 G C8 . 15080 1 6 . 1 1 1 1 G H1 H 1 12.956 0.000 . 1 . . . . 1 G H1 . 15080 1 7 . 1 1 1 1 G H1' H 1 5.806 0.009 . 1 . . . . 1 G H1' . 15080 1 8 . 1 1 1 1 G H2' H 1 4.895 0.018 . 1 . . . . 1 G H2' . 15080 1 9 . 1 1 1 1 G H3' H 1 4.733 0.010 . 1 . . . . 1 G H3' . 15080 1 10 . 1 1 1 1 G H4' H 1 4.509 0.005 . 1 . . . . 1 G H4' . 15080 1 11 . 1 1 1 1 G H5' H 1 4.278 0.002 . 1 . . . . 1 G H5' . 15080 1 12 . 1 1 1 1 G H5'' H 1 4.120 0.000 . 1 . . . . 1 G H5'' . 15080 1 13 . 1 1 1 1 G H8 H 1 8.165 0.004 . 1 . . . . 1 G H8 . 15080 1 14 . 1 1 2 2 G C1' C 13 92.991 0.079 . 1 . . . . 2 G C1' . 15080 1 15 . 1 1 2 2 G C2' C 13 75.919 0.100 . 1 . . . . 2 G C2' . 15080 1 16 . 1 1 2 2 G C3' C 13 73.157 0.285 . 1 . . . . 2 G C3' . 15080 1 17 . 1 1 2 2 G C4' C 13 82.572 0.089 . 1 . . . . 2 G C4' . 15080 1 18 . 1 1 2 2 G C8 C 13 137.190 0.000 . 1 . . . . 2 G C8 . 15080 1 19 . 1 1 2 2 G H1 H 1 13.522 0.002 . 1 . . . . 2 G H1 . 15080 1 20 . 1 1 2 2 G H1' H 1 5.944 0.003 . 1 . . . . 2 G H1' . 15080 1 21 . 1 1 2 2 G H2' H 1 4.577 0.010 . 1 . . . . 2 G H2' . 15080 1 22 . 1 1 2 2 G H21 H 1 8.795 0.000 . 1 . . . . 2 G H21 . 15080 1 23 . 1 1 2 2 G H22 H 1 6.243 0.000 . 1 . . . . 2 G H22 . 15080 1 24 . 1 1 2 2 G H3' H 1 4.531 0.015 . 1 . . . . 2 G H3' . 15080 1 25 . 1 1 2 2 G H4' H 1 4.532 0.020 . 1 . . . . 2 G H4' . 15080 1 26 . 1 1 2 2 G H5'' H 1 4.216 0.002 . 1 . . . . 2 G H5'' . 15080 1 27 . 1 1 2 2 G H8 H 1 7.630 0.012 . 1 . . . . 2 G H8 . 15080 1 28 . 1 1 3 3 U C1' C 13 94.114 0.000 . 1 . . . . 3 U C1' . 15080 1 29 . 1 1 3 3 U C2' C 13 75.860 0.061 . 1 . . . . 3 U C2' . 15080 1 30 . 1 1 3 3 U C3' C 13 72.867 0.184 . 1 . . . . 3 U C3' . 15080 1 31 . 1 1 3 3 U C4' C 13 82.440 0.084 . 1 . . . . 3 U C4' . 15080 1 32 . 1 1 3 3 U C5 C 13 103.945 0.000 . 1 . . . . 3 U C5 . 15080 1 33 . 1 1 3 3 U C5' C 13 65.593 0.036 . 1 . . . . 3 U C5' . 15080 1 34 . 1 1 3 3 U C6 C 13 141.083 0.000 . 1 . . . . 3 U C6 . 15080 1 35 . 1 1 3 3 U H1' H 1 5.582 0.009 . 1 . . . . 3 U H1' . 15080 1 36 . 1 1 3 3 U H2' H 1 4.553 0.006 . 1 . . . . 3 U H2' . 15080 1 37 . 1 1 3 3 U H3 H 1 14.684 0.017 . 1 . . . . 3 U H3 . 15080 1 38 . 1 1 3 3 U H3' H 1 4.261 0.011 . 1 . . . . 3 U H3' . 15080 1 39 . 1 1 3 3 U H4' H 1 4.477 0.005 . 1 . . . . 3 U H4' . 15080 1 40 . 1 1 3 3 U H5 H 1 5.252 0.014 . 1 . . . . 3 U H5 . 15080 1 41 . 1 1 3 3 U H5' H 1 4.459 0.003 . 1 . . . . 3 U H5' . 15080 1 42 . 1 1 3 3 U H5'' H 1 4.069 0.007 . 1 . . . . 3 U H5'' . 15080 1 43 . 1 1 3 3 U H6 H 1 7.507 0.014 . 1 . . . . 3 U H6 . 15080 1 44 . 1 1 4 4 U C1' C 13 94.817 0.072 . 1 . . . . 4 U C1' . 15080 1 45 . 1 1 4 4 U C2 C 13 149.808 0.000 . 1 . . . . 4 U C2 . 15080 1 46 . 1 1 4 4 U C2' C 13 75.761 0.087 . 1 . . . . 4 U C2' . 15080 1 47 . 1 1 4 4 U C3' C 13 72.385 0.205 . 1 . . . . 4 U C3' . 15080 1 48 . 1 1 4 4 U C4 C 13 165.818 0.000 . 1 . . . . 4 U C4 . 15080 1 49 . 1 1 4 4 U C4' C 13 82.978 0.063 . 1 . . . . 4 U C4' . 15080 1 50 . 1 1 4 4 U C5 C 13 105.270 0.000 . 1 . . . . 4 U C5 . 15080 1 51 . 1 1 4 4 U C5' C 13 64.848 0.027 . 1 . . . . 4 U C5' . 15080 1 52 . 1 1 4 4 U C6 C 13 141.253 0.000 . 1 . . . . 4 U C6 . 15080 1 53 . 1 1 4 4 U H1' H 1 5.213 0.007 . 1 . . . . 4 U H1' . 15080 1 54 . 1 1 4 4 U H2' H 1 4.023 0.009 . 1 . . . . 4 U H2' . 15080 1 55 . 1 1 4 4 U H3 H 1 10.343 0.047 . 1 . . . . 4 U H3 . 15080 1 56 . 1 1 4 4 U H3' H 1 4.430 0.004 . 1 . . . . 4 U H3' . 15080 1 57 . 1 1 4 4 U H4' H 1 4.432 0.003 . 1 . . . . 4 U H4' . 15080 1 58 . 1 1 4 4 U H5 H 1 5.715 0.023 . 1 . . . . 4 U H5 . 15080 1 59 . 1 1 4 4 U H5' H 1 4.428 0.006 . 1 . . . . 4 U H5' . 15080 1 60 . 1 1 4 4 U H5'' H 1 4.066 0.004 . 1 . . . . 4 U H5'' . 15080 1 61 . 1 1 4 4 U H6 H 1 7.767 0.017 . 1 . . . . 4 U H6 . 15080 1 62 . 1 1 5 5 U C1' C 13 94.083 0.092 . 1 . . . . 5 U C1' . 15080 1 63 . 1 1 5 5 U C2 C 13 151.806 0.000 . 1 . . . . 5 U C2 . 15080 1 64 . 1 1 5 5 U C2' C 13 75.477 0.108 . 1 . . . . 5 U C2' . 15080 1 65 . 1 1 5 5 U C3' C 13 72.378 0.240 . 1 . . . . 5 U C3' . 15080 1 66 . 1 1 5 5 U C4 C 13 164.801 0.000 . 1 . . . . 5 U C4 . 15080 1 67 . 1 1 5 5 U C4' C 13 82.670 0.060 . 1 . . . . 5 U C4' . 15080 1 68 . 1 1 5 5 U C5 C 13 104.201 0.000 . 1 . . . . 5 U C5 . 15080 1 69 . 1 1 5 5 U C5' C 13 64.775 0.041 . 1 . . . . 5 U C5' . 15080 1 70 . 1 1 5 5 U C6 C 13 142.693 0.000 . 1 . . . . 5 U C6 . 15080 1 71 . 1 1 5 5 U H1' H 1 5.283 0.008 . 1 . . . . 5 U H1' . 15080 1 72 . 1 1 5 5 U H2' H 1 4.348 0.005 . 1 . . . . 5 U H2' . 15080 1 73 . 1 1 5 5 U H3 H 1 11.262 0.038 . 1 . . . . 5 U H3 . 15080 1 74 . 1 1 5 5 U H3' H 1 4.513 0.006 . 1 . . . . 5 U H3' . 15080 1 75 . 1 1 5 5 U H4' H 1 4.297 0.005 . 1 . . . . 5 U H4' . 15080 1 76 . 1 1 5 5 U H5 H 1 5.593 0.008 . 1 . . . . 5 U H5 . 15080 1 77 . 1 1 5 5 U H5' H 1 4.527 0.005 . 1 . . . . 5 U H5' . 15080 1 78 . 1 1 5 5 U H5'' H 1 4.065 0.003 . 1 . . . . 5 U H5'' . 15080 1 79 . 1 1 5 5 U H6 H 1 7.785 0.023 . 1 . . . . 5 U H6 . 15080 1 80 . 1 1 6 6 G C1' C 13 91.269 0.136 . 1 . . . . 6 G C1' . 15080 1 81 . 1 1 6 6 G C2' C 13 75.779 0.160 . 1 . . . . 6 G C2' . 15080 1 82 . 1 1 6 6 G C3' C 13 74.446 0.175 . 1 . . . . 6 G C3' . 15080 1 83 . 1 1 6 6 G C4' C 13 82.726 0.057 . 1 . . . . 6 G C4' . 15080 1 84 . 1 1 6 6 G C8 C 13 136.902 0.000 . 1 . . . . 6 G C8 . 15080 1 85 . 1 1 6 6 G H1 H 1 13.340 0.015 . 1 . . . . 6 G H1 . 15080 1 86 . 1 1 6 6 G H1' H 1 5.702 0.003 . 1 . . . . 6 G H1' . 15080 1 87 . 1 1 6 6 G H2' H 1 4.540 0.005 . 1 . . . . 6 G H2' . 15080 1 88 . 1 1 6 6 G H21 H 1 9.188 0.014 . 1 . . . . 6 G H21 . 15080 1 89 . 1 1 6 6 G H22 H 1 6.483 0.002 . 1 . . . . 6 G H22 . 15080 1 90 . 1 1 6 6 G H3' H 1 4.570 0.005 . 1 . . . . 6 G H3' . 15080 1 91 . 1 1 6 6 G H4' H 1 4.436 0.009 . 1 . . . . 6 G H4' . 15080 1 92 . 1 1 6 6 G H8 H 1 7.771 0.017 . 1 . . . . 6 G H8 . 15080 1 93 . 1 1 7 7 C C1' C 13 94.272 0.113 . 1 . . . . 7 C C1' . 15080 1 94 . 1 1 7 7 C C2' C 13 75.669 0.050 . 1 . . . . 7 C C2' . 15080 1 95 . 1 1 7 7 C C3' C 13 73.097 0.274 . 1 . . . . 7 C C3' . 15080 1 96 . 1 1 7 7 C C4' C 13 82.580 0.121 . 1 . . . . 7 C C4' . 15080 1 97 . 1 1 7 7 C C5 C 13 97.822 0.000 . 1 . . . . 7 C C5 . 15080 1 98 . 1 1 7 7 C C6 C 13 141.810 0.000 . 1 . . . . 7 C C6 . 15080 1 99 . 1 1 7 7 C H1' H 1 5.567 0.011 . 1 . . . . 7 C H1' . 15080 1 100 . 1 1 7 7 C H2' H 1 4.480 0.004 . 1 . . . . 7 C H2' . 15080 1 101 . 1 1 7 7 C H3' H 1 4.300 0.004 . 1 . . . . 7 C H3' . 15080 1 102 . 1 1 7 7 C H4' H 1 4.428 0.007 . 1 . . . . 7 C H4' . 15080 1 103 . 1 1 7 7 C H41 H 1 8.790 0.017 . 1 . . . . 7 C H41 . 15080 1 104 . 1 1 7 7 C H42 H 1 6.957 0.003 . 1 . . . . 7 C H42 . 15080 1 105 . 1 1 7 7 C H5 H 1 5.254 0.013 . 1 . . . . 7 C H5 . 15080 1 106 . 1 1 7 7 C H5'' H 1 4.129 0.001 . 1 . . . . 7 C H5'' . 15080 1 107 . 1 1 7 7 C H6 H 1 7.549 0.015 . 1 . . . . 7 C H6 . 15080 1 108 . 1 1 8 8 C C1' C 13 94.672 0.068 . 1 . . . . 8 C C1' . 15080 1 109 . 1 1 8 8 C C2' C 13 75.869 0.062 . 1 . . . . 8 C C2' . 15080 1 110 . 1 1 8 8 C C3' C 13 72.739 0.101 . 1 . . . . 8 C C3' . 15080 1 111 . 1 1 8 8 C C4' C 13 82.352 0.099 . 1 . . . . 8 C C4' . 15080 1 112 . 1 1 8 8 C C5 C 13 98.467 0.000 . 1 . . . . 8 C C5 . 15080 1 113 . 1 1 8 8 C C6 C 13 141.380 0.000 . 1 . . . . 8 C C6 . 15080 1 114 . 1 1 8 8 C H1' H 1 5.570 0.009 . 1 . . . . 8 C H1' . 15080 1 115 . 1 1 8 8 C H2' H 1 4.558 0.003 . 1 . . . . 8 C H2' . 15080 1 116 . 1 1 8 8 C H3' H 1 4.253 0.007 . 1 . . . . 8 C H3' . 15080 1 117 . 1 1 8 8 C H4' H 1 4.385 0.006 . 1 . . . . 8 C H4' . 15080 1 118 . 1 1 8 8 C H41 H 1 8.419 0.021 . 1 . . . . 8 C H41 . 15080 1 119 . 1 1 8 8 C H42 H 1 6.961 0.025 . 1 . . . . 8 C H42 . 15080 1 120 . 1 1 8 8 C H5 H 1 5.483 0.022 . 1 . . . . 8 C H5 . 15080 1 121 . 1 1 8 8 C H5' H 1 4.442 0.003 . 1 . . . . 8 C H5' . 15080 1 122 . 1 1 8 8 C H5'' H 1 4.040 0.002 . 1 . . . . 8 C H5'' . 15080 1 123 . 1 1 8 8 C H6 H 1 7.619 0.016 . 1 . . . . 8 C H6 . 15080 1 124 . 1 1 9 9 U C1' C 13 94.059 0.157 . 1 . . . . 9 U C1' . 15080 1 125 . 1 1 9 9 U C2' C 13 76.037 0.114 . 1 . . . . 9 U C2' . 15080 1 126 . 1 1 9 9 U C3' C 13 73.857 0.212 . 1 . . . . 9 U C3' . 15080 1 127 . 1 1 9 9 U C4' C 13 83.534 0.137 . 1 . . . . 9 U C4' . 15080 1 128 . 1 1 9 9 U C5 C 13 105.181 0.000 . 1 . . . . 9 U C5 . 15080 1 129 . 1 1 9 9 U C5' C 13 65.901 0.071 . 1 . . . . 9 U C5' . 15080 1 130 . 1 1 9 9 U C6 C 13 141.706 0.000 . 1 . . . . 9 U C6 . 15080 1 131 . 1 1 9 9 U H1' H 1 5.551 0.005 . 1 . . . . 9 U H1' . 15080 1 132 . 1 1 9 9 U H2' H 1 4.076 0.013 . 1 . . . . 9 U H2' . 15080 1 133 . 1 1 9 9 U H3' H 1 4.370 0.005 . 1 . . . . 9 U H3' . 15080 1 134 . 1 1 9 9 U H4' H 1 4.339 0.008 . 1 . . . . 9 U H4' . 15080 1 135 . 1 1 9 9 U H5 H 1 5.648 0.002 . 1 . . . . 9 U H5 . 15080 1 136 . 1 1 9 9 U H5' H 1 4.311 0.005 . 1 . . . . 9 U H5' . 15080 1 137 . 1 1 9 9 U H5'' H 1 4.012 0.004 . 1 . . . . 9 U H5'' . 15080 1 138 . 1 1 9 9 U H6 H 1 7.731 0.020 . 1 . . . . 9 U H6 . 15080 1 139 . 1 1 10 10 U C1' C 13 90.706 0.292 . 1 . . . . 10 U C1' . 15080 1 140 . 1 1 10 10 U C2' C 13 75.769 0.115 . 1 . . . . 10 U C2' . 15080 1 141 . 1 1 10 10 U C3' C 13 78.578 0.109 . 1 . . . . 10 U C3' . 15080 1 142 . 1 1 10 10 U C4' C 13 85.504 0.111 . 1 . . . . 10 U C4' . 15080 1 143 . 1 1 10 10 U C5 C 13 105.715 0.000 . 1 . . . . 10 U C5 . 15080 1 144 . 1 1 10 10 U C5' C 13 67.997 0.184 . 1 . . . . 10 U C5' . 15080 1 145 . 1 1 10 10 U C6 C 13 143.756 0.000 . 1 . . . . 10 U C6 . 15080 1 146 . 1 1 10 10 U H1' H 1 5.763 0.004 . 1 . . . . 10 U H1' . 15080 1 147 . 1 1 10 10 U H2' H 1 4.244 0.005 . 1 . . . . 10 U H2' . 15080 1 148 . 1 1 10 10 U H3' H 1 4.455 0.003 . 1 . . . . 10 U H3' . 15080 1 149 . 1 1 10 10 U H4' H 1 4.415 0.004 . 1 . . . . 10 U H4' . 15080 1 150 . 1 1 10 10 U H5 H 1 5.697 0.005 . 1 . . . . 10 U H5 . 15080 1 151 . 1 1 10 10 U H5' H 1 4.083 0.007 . 1 . . . . 10 U H5' . 15080 1 152 . 1 1 10 10 U H5'' H 1 3.927 0.008 . 1 . . . . 10 U H5'' . 15080 1 153 . 1 1 10 10 U H6 H 1 7.731 0.018 . 1 . . . . 10 U H6 . 15080 1 154 . 1 1 11 11 U C1' C 13 90.146 0.833 . 1 . . . . 11 U C1' . 15080 1 155 . 1 1 11 11 U C2' C 13 75.982 0.140 . 1 . . . . 11 U C2' . 15080 1 156 . 1 1 11 11 U C3' C 13 77.768 0.057 . 1 . . . . 11 U C3' . 15080 1 157 . 1 1 11 11 U C4' C 13 84.873 0.039 . 1 . . . . 11 U C4' . 15080 1 158 . 1 1 11 11 U C5 C 13 105.927 0.000 . 1 . . . . 11 U C5 . 15080 1 159 . 1 1 11 11 U C5' C 13 68.835 0.056 . 1 . . . . 11 U C5' . 15080 1 160 . 1 1 11 11 U C6 C 13 143.995 0.000 . 1 . . . . 11 U C6 . 15080 1 161 . 1 1 11 11 U H1' H 1 5.756 0.006 . 1 . . . . 11 U H1' . 15080 1 162 . 1 1 11 11 U H2' H 1 4.293 0.006 . 1 . . . . 11 U H2' . 15080 1 163 . 1 1 11 11 U H3' H 1 4.563 0.004 . 1 . . . . 11 U H3' . 15080 1 164 . 1 1 11 11 U H4' H 1 4.296 0.007 . 1 . . . . 11 U H4' . 15080 1 165 . 1 1 11 11 U H5 H 1 5.721 0.002 . 1 . . . . 11 U H5 . 15080 1 166 . 1 1 11 11 U H5' H 1 4.002 0.001 . 1 . . . . 11 U H5' . 15080 1 167 . 1 1 11 11 U H5'' H 1 3.944 0.004 . 1 . . . . 11 U H5'' . 15080 1 168 . 1 1 11 11 U H6 H 1 7.585 0.017 . 1 . . . . 11 U H6 . 15080 1 169 . 1 1 12 12 U C1' C 13 90.559 0.049 . 1 . . . . 12 U C1' . 15080 1 170 . 1 1 12 12 U C2' C 13 74.937 0.144 . 1 . . . . 12 U C2' . 15080 1 171 . 1 1 12 12 U C3' C 13 76.920 0.089 . 1 . . . . 12 U C3' . 15080 1 172 . 1 1 12 12 U C4' C 13 85.359 0.122 . 1 . . . . 12 U C4' . 15080 1 173 . 1 1 12 12 U C5 C 13 105.177 0.527 . 1 . . . . 12 U C5 . 15080 1 174 . 1 1 12 12 U C5' C 13 68.982 0.071 . 1 . . . . 12 U C5' . 15080 1 175 . 1 1 12 12 U C6 C 13 144.324 0.000 . 1 . . . . 12 U C6 . 15080 1 176 . 1 1 12 12 U H1' H 1 5.878 0.003 . 1 . . . . 12 U H1' . 15080 1 177 . 1 1 12 12 U H2' H 1 4.517 0.006 . 1 . . . . 12 U H2' . 15080 1 178 . 1 1 12 12 U H3' H 1 4.637 0.004 . 1 . . . . 12 U H3' . 15080 1 179 . 1 1 12 12 U H4' H 1 4.500 0.007 . 1 . . . . 12 U H4' . 15080 1 180 . 1 1 12 12 U H5 H 1 5.873 0.008 . 1 . . . . 12 U H5 . 15080 1 181 . 1 1 12 12 U H5' H 1 4.145 0.005 . 1 . . . . 12 U H5' . 15080 1 182 . 1 1 12 12 U H5'' H 1 4.076 0.005 . 1 . . . . 12 U H5'' . 15080 1 183 . 1 1 12 12 U H6 H 1 7.874 0.018 . 1 . . . . 12 U H6 . 15080 1 184 . 1 1 13 13 G C1' C 13 92.529 0.057 . 1 . . . . 13 G C1' . 15080 1 185 . 1 1 13 13 G C2' C 13 75.481 0.139 . 1 . . . . 13 G C2' . 15080 1 186 . 1 1 13 13 G C3' C 13 74.926 0.181 . 1 . . . . 13 G C3' . 15080 1 187 . 1 1 13 13 G C4' C 13 83.483 0.099 . 1 . . . . 13 G C4' . 15080 1 188 . 1 1 13 13 G C8 C 13 137.748 0.000 . 1 . . . . 13 G C8 . 15080 1 189 . 1 1 13 13 G H1 H 1 12.810 0.001 . 1 . . . . 13 G H1 . 15080 1 190 . 1 1 13 13 G H1' H 1 5.715 0.004 . 1 . . . . 13 G H1' . 15080 1 191 . 1 1 13 13 G H2' H 1 4.698 0.004 . 1 . . . . 13 G H2' . 15080 1 192 . 1 1 13 13 G H21 H 1 8.596 0.000 . 1 . . . . 13 G H21 . 15080 1 193 . 1 1 13 13 G H22 H 1 6.285 0.000 . 1 . . . . 13 G H22 . 15080 1 194 . 1 1 13 13 G H3' H 1 4.478 0.009 . 1 . . . . 13 G H3' . 15080 1 195 . 1 1 13 13 G H4' H 1 4.585 0.005 . 1 . . . . 13 G H4' . 15080 1 196 . 1 1 13 13 G H5' H 1 4.332 0.003 . 1 . . . . 13 G H5' . 15080 1 197 . 1 1 13 13 G H5'' H 1 4.148 0.003 . 1 . . . . 13 G H5'' . 15080 1 198 . 1 1 13 13 G H8 H 1 7.873 0.016 . 1 . . . . 13 G H8 . 15080 1 199 . 1 1 14 14 G C1' C 13 93.021 0.134 . 1 . . . . 14 G C1' . 15080 1 200 . 1 1 14 14 G C2' C 13 75.823 0.084 . 1 . . . . 14 G C2' . 15080 1 201 . 1 1 14 14 G C3' C 13 73.211 0.251 . 1 . . . . 14 G C3' . 15080 1 202 . 1 1 14 14 G C4' C 13 82.435 0.178 . 1 . . . . 14 G C4' . 15080 1 203 . 1 1 14 14 G C8 C 13 136.735 0.000 . 1 . . . . 14 G C8 . 15080 1 204 . 1 1 14 14 G H1 H 1 13.250 0.011 . 1 . . . . 14 G H1 . 15080 1 205 . 1 1 14 14 G H1' H 1 5.855 0.002 . 1 . . . . 14 G H1' . 15080 1 206 . 1 1 14 14 G H2' H 1 4.543 0.016 . 1 . . . . 14 G H2' . 15080 1 207 . 1 1 14 14 G H3' H 1 4.485 0.006 . 1 . . . . 14 G H3' . 15080 1 208 . 1 1 14 14 G H4' H 1 4.484 0.004 . 1 . . . . 14 G H4' . 15080 1 209 . 1 1 14 14 G H5' H 1 4.441 0.002 . 1 . . . . 14 G H5' . 15080 1 210 . 1 1 14 14 G H5'' H 1 4.155 0.002 . 1 . . . . 14 G H5'' . 15080 1 211 . 1 1 14 14 G H8 H 1 7.464 0.011 . 1 . . . . 14 G H8 . 15080 1 212 . 1 1 15 15 C C1' C 13 94.208 0.093 . 1 . . . . 15 C C1' . 15080 1 213 . 1 1 15 15 C C2' C 13 75.855 0.052 . 1 . . . . 15 C C2' . 15080 1 214 . 1 1 15 15 C C3' C 13 72.569 0.225 . 1 . . . . 15 C C3' . 15080 1 215 . 1 1 15 15 C C4' C 13 82.209 0.082 . 1 . . . . 15 C C4' . 15080 1 216 . 1 1 15 15 C C5 C 13 98.000 0.000 . 1 . . . . 15 C C5 . 15080 1 217 . 1 1 15 15 C C6 C 13 140.723 0.000 . 1 . . . . 15 C C6 . 15080 1 218 . 1 1 15 15 C H1' H 1 5.532 0.010 . 1 . . . . 15 C H1' . 15080 1 219 . 1 1 15 15 C H2' H 1 4.539 0.005 . 1 . . . . 15 C H2' . 15080 1 220 . 1 1 15 15 C H3' H 1 4.191 0.006 . 1 . . . . 15 C H3' . 15080 1 221 . 1 1 15 15 C H4' H 1 4.438 0.005 . 1 . . . . 15 C H4' . 15080 1 222 . 1 1 15 15 C H41 H 1 8.362 0.021 . 1 . . . . 15 C H41 . 15080 1 223 . 1 1 15 15 C H42 H 1 6.989 0.020 . 1 . . . . 15 C H42 . 15080 1 224 . 1 1 15 15 C H5 H 1 5.301 0.021 . 1 . . . . 15 C H5 . 15080 1 225 . 1 1 15 15 C H5'' H 1 4.047 0.002 . 1 . . . . 15 C H5'' . 15080 1 226 . 1 1 15 15 C H6 H 1 7.432 0.009 . 1 . . . . 15 C H6 . 15080 1 227 . 1 1 16 16 U C1' C 13 94.532 0.105 . 1 . . . . 16 U C1' . 15080 1 228 . 1 1 16 16 U C2 C 13 149.898 0.000 . 1 . . . . 16 U C2 . 15080 1 229 . 1 1 16 16 U C2' C 13 75.977 0.119 . 1 . . . . 16 U C2' . 15080 1 230 . 1 1 16 16 U C3' C 13 72.394 0.215 . 1 . . . . 16 U C3' . 15080 1 231 . 1 1 16 16 U C4 C 13 165.551 0.000 . 1 . . . . 16 U C4 . 15080 1 232 . 1 1 16 16 U C4' C 13 82.845 0.076 . 1 . . . . 16 U C4' . 15080 1 233 . 1 1 16 16 U C5 C 13 105.192 0.000 . 1 . . . . 16 U C5 . 15080 1 234 . 1 1 16 16 U C5' C 13 64.799 0.062 . 1 . . . . 16 U C5' . 15080 1 235 . 1 1 16 16 U C6 C 13 141.318 0.000 . 1 . . . . 16 U C6 . 15080 1 236 . 1 1 16 16 U H1' H 1 5.642 0.012 . 1 . . . . 16 U H1' . 15080 1 237 . 1 1 16 16 U H2' H 1 4.088 0.012 . 1 . . . . 16 U H2' . 15080 1 238 . 1 1 16 16 U H3 H 1 10.376 0.045 . 1 . . . . 16 U H3 . 15080 1 239 . 1 1 16 16 U H3' H 1 4.483 0.003 . 1 . . . . 16 U H3' . 15080 1 240 . 1 1 16 16 U H4' H 1 4.403 0.005 . 1 . . . . 16 U H4' . 15080 1 241 . 1 1 16 16 U H5 H 1 5.656 0.020 . 1 . . . . 16 U H5 . 15080 1 242 . 1 1 16 16 U H5' H 1 4.435 0.003 . 1 . . . . 16 U H5' . 15080 1 243 . 1 1 16 16 U H5'' H 1 4.058 0.003 . 1 . . . . 16 U H5'' . 15080 1 244 . 1 1 16 16 U H6 H 1 7.809 0.041 . 1 . . . . 16 U H6 . 15080 1 245 . 1 1 17 17 U C1' C 13 94.091 0.089 . 1 . . . . 17 U C1' . 15080 1 246 . 1 1 17 17 U C2 C 13 151.552 0.000 . 1 . . . . 17 U C2 . 15080 1 247 . 1 1 17 17 U C2' C 13 75.484 0.111 . 1 . . . . 17 U C2' . 15080 1 248 . 1 1 17 17 U C3' C 13 72.168 0.232 . 1 . . . . 17 U C3' . 15080 1 249 . 1 1 17 17 U C4 C 13 164.627 0.000 . 1 . . . . 17 U C4 . 15080 1 250 . 1 1 17 17 U C4' C 13 82.710 0.060 . 1 . . . . 17 U C4' . 15080 1 251 . 1 1 17 17 U C5 C 13 104.101 0.000 . 1 . . . . 17 U C5 . 15080 1 252 . 1 1 17 17 U C5' C 13 64.741 0.059 . 1 . . . . 17 U C5' . 15080 1 253 . 1 1 17 17 U C6 C 13 142.876 0.000 . 1 . . . . 17 U C6 . 15080 1 254 . 1 1 17 17 U H1' H 1 5.309 0.005 . 1 . . . . 17 U H1' . 15080 1 255 . 1 1 17 17 U H2' H 1 4.429 0.006 . 1 . . . . 17 U H2' . 15080 1 256 . 1 1 17 17 U H3 H 1 11.084 0.041 . 1 . . . . 17 U H3 . 15080 1 257 . 1 1 17 17 U H3' H 1 4.571 0.004 . 1 . . . . 17 U H3' . 15080 1 258 . 1 1 17 17 U H4' H 1 4.351 0.004 . 1 . . . . 17 U H4' . 15080 1 259 . 1 1 17 17 U H5 H 1 5.674 0.008 . 1 . . . . 17 U H5 . 15080 1 260 . 1 1 17 17 U H5' H 1 4.557 0.007 . 1 . . . . 17 U H5' . 15080 1 261 . 1 1 17 17 U H5'' H 1 4.086 0.004 . 1 . . . . 17 U H5'' . 15080 1 262 . 1 1 17 17 U H6 H 1 7.880 0.014 . 1 . . . . 17 U H6 . 15080 1 263 . 1 1 18 18 A C1' C 13 92.224 0.113 . 1 . . . . 18 A C1' . 15080 1 264 . 1 1 18 18 A C2 C 13 153.849 0.000 . 1 . . . . 18 A C2 . 15080 1 265 . 1 1 18 18 A C2' C 13 75.952 0.052 . 1 . . . . 18 A C2' . 15080 1 266 . 1 1 18 18 A C3' C 13 73.795 0.210 . 1 . . . . 18 A C3' . 15080 1 267 . 1 1 18 18 A C4' C 13 82.672 0.064 . 1 . . . . 18 A C4' . 15080 1 268 . 1 1 18 18 A C5' C 13 65.898 0.013 . 1 . . . . 18 A C5' . 15080 1 269 . 1 1 18 18 A C8 C 13 140.078 0.000 . 1 . . . . 18 A C8 . 15080 1 270 . 1 1 18 18 A H1' H 1 6.023 0.010 . 1 . . . . 18 A H1' . 15080 1 271 . 1 1 18 18 A H2 H 1 8.059 0.053 . 1 . . . . 18 A H2 . 15080 1 272 . 1 1 18 18 A H2' H 1 4.602 0.009 . 1 . . . . 18 A H2' . 15080 1 273 . 1 1 18 18 A H3' H 1 4.636 0.005 . 1 . . . . 18 A H3' . 15080 1 274 . 1 1 18 18 A H4' H 1 4.487 0.014 . 1 . . . . 18 A H4' . 15080 1 275 . 1 1 18 18 A H5' H 1 4.429 0.007 . 1 . . . . 18 A H5' . 15080 1 276 . 1 1 18 18 A H5'' H 1 4.122 0.003 . 1 . . . . 18 A H5'' . 15080 1 277 . 1 1 18 18 A H61 H 1 7.591 0.016 . 1 . . . . 18 A H61 . 15080 1 278 . 1 1 18 18 A H62 H 1 6.774 0.003 . 1 . . . . 18 A H62 . 15080 1 279 . 1 1 18 18 A H8 H 1 8.134 0.015 . 1 . . . . 18 A H8 . 15080 1 280 . 1 1 19 19 C C1' C 13 94.959 0.088 . 1 . . . . 19 C C1' . 15080 1 281 . 1 1 19 19 C C2' C 13 75.835 0.072 . 1 . . . . 19 C C2' . 15080 1 282 . 1 1 19 19 C C3' C 13 73.146 0.199 . 1 . . . . 19 C C3' . 15080 1 283 . 1 1 19 19 C C4' C 13 82.615 0.064 . 1 . . . . 19 C C4' . 15080 1 284 . 1 1 19 19 C C5 C 13 97.900 0.000 . 1 . . . . 19 C C5 . 15080 1 285 . 1 1 19 19 C C6 C 13 141.524 0.000 . 1 . . . . 19 C C6 . 15080 1 286 . 1 1 19 19 C H1' H 1 5.461 0.003 . 1 . . . . 19 C H1' . 15080 1 287 . 1 1 19 19 C H2' H 1 4.270 0.022 . 1 . . . . 19 C H2' . 15080 1 288 . 1 1 19 19 C H3' H 1 4.231 0.003 . 1 . . . . 19 C H3' . 15080 1 289 . 1 1 19 19 C H4' H 1 4.396 0.026 . 1 . . . . 19 C H4' . 15080 1 290 . 1 1 19 19 C H41 H 1 8.612 0.016 . 1 . . . . 19 C H41 . 15080 1 291 . 1 1 19 19 C H42 H 1 7.085 0.020 . 1 . . . . 19 C H42 . 15080 1 292 . 1 1 19 19 C H5 H 1 5.206 0.013 . 1 . . . . 19 C H5 . 15080 1 293 . 1 1 19 19 C H5' H 1 4.439 0.020 . 1 . . . . 19 C H5' . 15080 1 294 . 1 1 19 19 C H5'' H 1 4.029 0.001 . 1 . . . . 19 C H5'' . 15080 1 295 . 1 1 19 19 C H6 H 1 7.332 0.014 . 1 . . . . 19 C H6 . 15080 1 296 . 1 1 20 20 C C1' C 13 93.028 0.121 . 1 . . . . 20 C C1' . 15080 1 297 . 1 1 20 20 C C2' C 13 77.751 0.108 . 1 . . . . 20 C C2' . 15080 1 298 . 1 1 20 20 C C3' C 13 69.968 0.213 . 1 . . . . 20 C C3' . 15080 1 299 . 1 1 20 20 C C4' C 13 83.874 0.087 . 1 . . . . 20 C C4' . 15080 1 300 . 1 1 20 20 C C5 C 13 98.701 0.000 . 1 . . . . 20 C C5 . 15080 1 301 . 1 1 20 20 C C6 C 13 142.175 0.000 . 1 . . . . 20 C C6 . 15080 1 302 . 1 1 20 20 C H1' H 1 5.800 0.006 . 1 . . . . 20 C H1' . 15080 1 303 . 1 1 20 20 C H2' H 1 4.019 0.009 . 1 . . . . 20 C H2' . 15080 1 304 . 1 1 20 20 C H3' H 1 4.174 0.005 . 1 . . . . 20 C H3' . 15080 1 305 . 1 1 20 20 C H4' H 1 4.169 0.006 . 1 . . . . 20 C H4' . 15080 1 306 . 1 1 20 20 C H41 H 1 8.398 0.023 . 1 . . . . 20 C H41 . 15080 1 307 . 1 1 20 20 C H42 H 1 7.066 0.017 . 1 . . . . 20 C H42 . 15080 1 308 . 1 1 20 20 C H5 H 1 5.515 0.018 . 1 . . . . 20 C H5 . 15080 1 309 . 1 1 20 20 C H5'' H 1 4.475 0.003 . 1 . . . . 20 C H5'' . 15080 1 310 . 1 1 20 20 C H6 H 1 7.703 0.022 . 1 . . . . 20 C H6 . 15080 1 stop_ save_