data_5962 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5962 _Entry.Title ; Chemical shifts assignments of domain 5 of the ai5gamma group II intron ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-01 _Entry.Accession_date 2003-10-01 _Entry.Last_release_date 2004-03-07 _Entry.Original_release_date 2004-03-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Roland Sigel . 'K. O.' . 5962 2 Dipali Sashital . G. . 5962 3 Dana Abramowitz . L. . 5962 4 Arthur Palmer . G. III 5962 5 Samuel Butcher . E. . 5962 6 'Anna Marie' Pyle . . . 5962 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5962 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 97 5962 '15N chemical shifts' 41 5962 '1H chemical shifts' 272 5962 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 . . 2004-03-07 2003-10-01 original author . 5962 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1R2P 'BMRB Entry Tracking System' 5962 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5962 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14745440 _Citation.Full_citation . _Citation.Title ; Solution structure of domain 5 of a group II intron ribozyme reveals a new RNA motif ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _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 187 _Citation.Page_last 192 _Citation.Year 2004 _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 Roland Sigel . 'K. O.' . 5962 1 2 Dipali Sashital . G. . 5962 1 3 Dana Abramowitz . L. . 5962 1 4 Arthur Palmer . G. III 5962 1 5 Samuel Butcher . E. . 5962 1 6 'Anna Marie' Pyle . . . 5962 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID bulge 5962 1 hairpin 5962 1 magnesium 5962 1 'metal ion' 5962 1 RNA 5962 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_D5_of_ai5g _Assembly.Sf_category assembly _Assembly.Sf_framecode D5_of_ai5g _Assembly.Entry_ID 5962 _Assembly.ID 1 _Assembly.Name 'wildtype domain 5 of the ai5gamma group II intron' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5962 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'wildtype domain 5 hairpin' 1 $D5 . . . native . . . . . 5962 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1R2P . . . . . . 5962 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'D5 of ai5g' abbreviation 5962 1 'wildtype domain 5 of the ai5gamma group II intron' system 5962 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'catalytic domain of a self-splicing group II intron ribozyme' 5962 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_D5 _Entity.Sf_category entity _Entity.Sf_framecode D5 _Entity.Entry_ID 5962 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Domain 5' _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 ; GGAGCCGUAUGCGAUGAAAG UCGCACGUACGGUUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 12297 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; catalytic domain of the ai5g group II intron ribozyme, wildtype sequence contains catalytic AGC triad, as well as bulge with essential base & backbone functionalities, additional GC bp at helix end ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID D5 abbreviation 5962 1 'Domain 5' common 5962 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 . 5962 1 2 . G . 5962 1 3 . A . 5962 1 4 . G . 5962 1 5 . C . 5962 1 6 . C . 5962 1 7 . G . 5962 1 8 . U . 5962 1 9 . A . 5962 1 10 . U . 5962 1 11 . G . 5962 1 12 . C . 5962 1 13 . G . 5962 1 14 . A . 5962 1 15 . U . 5962 1 16 . G . 5962 1 17 . A . 5962 1 18 . A . 5962 1 19 . A . 5962 1 20 . G . 5962 1 21 . U . 5962 1 22 . C . 5962 1 23 . G . 5962 1 24 . C . 5962 1 25 . A . 5962 1 26 . C . 5962 1 27 . G . 5962 1 28 . U . 5962 1 29 . A . 5962 1 30 . C . 5962 1 31 . G . 5962 1 32 . G . 5962 1 33 . U . 5962 1 34 . U . 5962 1 35 . C . 5962 1 36 . C . 5962 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 5962 1 . G 2 2 5962 1 . A 3 3 5962 1 . G 4 4 5962 1 . C 5 5 5962 1 . C 6 6 5962 1 . G 7 7 5962 1 . U 8 8 5962 1 . A 9 9 5962 1 . U 10 10 5962 1 . G 11 11 5962 1 . C 12 12 5962 1 . G 13 13 5962 1 . A 14 14 5962 1 . U 15 15 5962 1 . G 16 16 5962 1 . A 17 17 5962 1 . A 18 18 5962 1 . A 19 19 5962 1 . G 20 20 5962 1 . U 21 21 5962 1 . C 22 22 5962 1 . G 23 23 5962 1 . C 24 24 5962 1 . A 25 25 5962 1 . C 26 26 5962 1 . G 27 27 5962 1 . U 28 28 5962 1 . A 29 29 5962 1 . C 30 30 5962 1 . G 31 31 5962 1 . G 32 32 5962 1 . U 33 33 5962 1 . U 34 34 5962 1 . C 35 35 5962 1 . C 36 36 5962 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 5962 _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 $D5 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . mitochondria . . . . . . cox1 . 'ai5gamma group II intron' . . 5962 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 5962 _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 $D5 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'in vitro transcription from double stranded DNA template by T7 RNA polymerase' . . 5962 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5962 _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 'Domain 5' '[U-13C; U-15N]' . . 1 $D5 . . . 0.4 0.7 mM . . . . 5962 1 2 KCl . . . . . . . 100 . . mM . . . . 5962 1 3 Edta . . . . . . . 10 . . micM . . . . 5962 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5962 _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' 0.11 . mM 5962 1 pH 6.7 0.1 n/a 5962 1 pressure 1 . atm 5962 1 temperature 303 1 K 5962 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5962 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details BRUKER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5962 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5962 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details ; ref-33, Goddard, T.G. & Kneller, D.G. SPARKY 3, University of California, San Francisco ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5962 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5962 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5962 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5962 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5962 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 5962 1 2 NMR_spectrometer_2 Bruker DMX . 500 . . . 5962 1 3 NMR_spectrometer_3 Bruker DMX . 750 . . . 5962 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 5962 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H,1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5962 1 2 '3D-13C separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5962 1 3 '2D 1H-13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5962 1 4 '2D 1H-1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5962 1 5 '3D 1H-13C-1H HCCH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5962 1 6 '3D 1H-13C-1H HCCH COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5962 1 7 '2D 2JHN HNN-COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5962 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5962 _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 TSP methyl . . . . ppm 0.00 internal indirect 0.251449530 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 5962 1 H 1 TSP methyl . . . . ppm 0.00 internal indirect 1.0 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 5962 1 N 15 TSP methyl . . . . ppm 0.00 internal indirect 0.101329118 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 5962 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5962 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5962 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.81 0.005 . 1 . . . . . . . . 5962 1 2 . 1 1 1 1 G H2' H 1 4.928 0.005 . 1 . . . . . . . . 5962 1 3 . 1 1 1 1 G H3' H 1 4.542 0.005 . 1 . . . . . . . . 5962 1 4 . 1 1 1 1 G H4' H 1 4.536 0.005 . 1 . . . . . . . . 5962 1 5 . 1 1 1 1 G H8 H 1 8.186 0.005 . 1 . . . . . . . . 5962 1 6 . 1 1 1 1 G N1 N 15 146.7 0.05 . 1 . . . . . . . . 5962 1 7 . 1 1 1 1 G C8 C 13 139.1 0.05 . 1 . . . . . . . . 5962 1 8 . 1 1 1 1 G C1' C 13 89.41 0.05 . 1 . . . . . . . . 5962 1 9 . 1 1 1 1 G C2' C 13 77.45 0.05 . 1 . . . . . . . . 5962 1 10 . 1 1 1 1 G C3' C 13 75.9 0.05 . 1 . . . . . . . . 5962 1 11 . 1 1 1 1 G C4' C 13 85.49 0.05 . 1 . . . . . . . . 5962 1 12 . 1 1 1 1 G C5' C 13 67.87 0.05 . 1 . . . . . . . . 5962 1 13 . 1 1 2 2 G H1' H 1 5.896 0.005 . 1 . . . . . . . . 5962 1 14 . 1 1 2 2 G H2' H 1 4.644 0.005 . 1 . . . . . . . . 5962 1 15 . 1 1 2 2 G H3' H 1 4.667 0.005 . 1 . . . . . . . . 5962 1 16 . 1 1 2 2 G H4' H 1 4.55 0.005 . 1 . . . . . . . . 5962 1 17 . 1 1 2 2 G H5'' H 1 4.231 0.005 . 1 . . . . . . . . 5962 1 18 . 1 1 2 2 G H1 H 1 12.5 0.005 . 1 . . . . . . . . 5962 1 19 . 1 1 2 2 G H8 H 1 7.564 0.005 . 1 . . . . . . . . 5962 1 20 . 1 1 2 2 G H21 H 1 7.933 0.005 . 1 . . . . . . . . 5962 1 21 . 1 1 2 2 G H22 H 1 5.827 0.005 . 1 . . . . . . . . 5962 1 22 . 1 1 2 2 G N1 N 15 146.5 0.05 . 1 . . . . . . . . 5962 1 23 . 1 1 2 2 G C8 C 13 137 0.05 . 1 . . . . . . . . 5962 1 24 . 1 1 3 3 A H1' H 1 6.033 0.005 . 1 . . . . . . . . 5962 1 25 . 1 1 3 3 A H2' H 1 4.628 0.005 . 1 . . . . . . . . 5962 1 26 . 1 1 3 3 A H3' H 1 4.66 0.005 . 1 . . . . . . . . 5962 1 27 . 1 1 3 3 A H4' H 1 4.526 0.005 . 1 . . . . . . . . 5962 1 28 . 1 1 3 3 A H5' H 1 4.509 0.005 . 1 . . . . . . . . 5962 1 29 . 1 1 3 3 A H2 H 1 7.362 0.005 . 1 . . . . . . . . 5962 1 30 . 1 1 3 3 A H8 H 1 7.858 0.005 . 1 . . . . . . . . 5962 1 31 . 1 1 3 3 A H61 H 1 7.924 0.005 . 1 . . . . . . . . 5962 1 32 . 1 1 3 3 A H62 H 1 6.604 0.005 . 1 . . . . . . . . 5962 1 33 . 1 1 3 3 A N1 N 15 221.5 0.05 . 1 . . . . . . . . 5962 1 34 . 1 1 3 3 A N3 N 15 213.2 0.05 . 1 . . . . . . . . 5962 1 35 . 1 1 3 3 A C2 C 13 153 0.05 . 1 . . . . . . . . 5962 1 36 . 1 1 3 3 A C8 C 13 137.8 0.05 . 1 . . . . . . . . 5962 1 37 . 1 1 3 3 A C2' C 13 76.12 0.05 . 1 . . . . . . . . 5962 1 38 . 1 1 3 3 A C3' C 13 73.3 0.05 . 1 . . . . . . . . 5962 1 39 . 1 1 3 3 A C4' C 13 82.39 0.05 . 1 . . . . . . . . 5962 1 40 . 1 1 3 3 A C5' C 13 65.8 0.05 . 1 . . . . . . . . 5962 1 41 . 1 1 4 4 G H1' H 1 5.655 0.005 . 1 . . . . . . . . 5962 1 42 . 1 1 4 4 G H2' H 1 4.565 0.005 . 1 . . . . . . . . 5962 1 43 . 1 1 4 4 G H3' H 1 4.206 0.005 . 1 . . . . . . . . 5962 1 44 . 1 1 4 4 G H4' H 1 4.474 0.005 . 1 . . . . . . . . 5962 1 45 . 1 1 4 4 G H5' H 1 4.367 0.005 . 1 . . . . . . . . 5962 1 46 . 1 1 4 4 G H5'' H 1 4.012 0.005 . 1 . . . . . . . . 5962 1 47 . 1 1 4 4 G H1 H 1 11.72 0.005 . 1 . . . . . . . . 5962 1 48 . 1 1 4 4 G H8 H 1 7.038 0.005 . 1 . . . . . . . . 5962 1 49 . 1 1 4 4 G N1 N 15 145.1 0.05 . 1 . . . . . . . . 5962 1 50 . 1 1 4 4 G C8 C 13 136.3 0.05 . 1 . . . . . . . . 5962 1 51 . 1 1 5 5 C H1' H 1 5.515 0.005 . 1 . . . . . . . . 5962 1 52 . 1 1 5 5 C H2' H 1 4.313 0.005 . 1 . . . . . . . . 5962 1 53 . 1 1 5 5 C H3' H 1 4.45 0.005 . 1 . . . . . . . . 5962 1 54 . 1 1 5 5 C H5 H 1 5.263 0.005 . 1 . . . . . . . . 5962 1 55 . 1 1 5 5 C H6 H 1 7.664 0.005 . 1 . . . . . . . . 5962 1 56 . 1 1 5 5 C H41 H 1 8.431 0.005 . 1 . . . . . . . . 5962 1 57 . 1 1 5 5 C H42 H 1 7.039 0.005 . 1 . . . . . . . . 5962 1 58 . 1 1 5 5 C N3 N 15 197.4 0.05 . 1 . . . . . . . . 5962 1 59 . 1 1 5 5 C C5 C 13 97.12 0.05 . 1 . . . . . . . . 5962 1 60 . 1 1 5 5 C C6 C 13 141.6 0.05 . 1 . . . . . . . . 5962 1 61 . 1 1 6 6 C H1' H 1 5.509 0.005 . 1 . . . . . . . . 5962 1 62 . 1 1 6 6 C H2' H 1 4.6 0.005 . 1 . . . . . . . . 5962 1 63 . 1 1 6 6 C H3' H 1 4.411 0.005 . 1 . . . . . . . . 5962 1 64 . 1 1 6 6 C H5 H 1 5.48 0.005 . 1 . . . . . . . . 5962 1 65 . 1 1 6 6 C H6 H 1 7.687 0.005 . 1 . . . . . . . . 5962 1 66 . 1 1 6 6 C H41 H 1 8.37 0.005 . 1 . . . . . . . . 5962 1 67 . 1 1 6 6 C H42 H 1 6.833 0.005 . 1 . . . . . . . . 5962 1 68 . 1 1 6 6 C N3 N 15 196.1 0.05 . 1 . . . . . . . . 5962 1 69 . 1 1 6 6 C C5 C 13 97.76 0.05 . 1 . . . . . . . . 5962 1 70 . 1 1 6 6 C C6 C 13 140.9 0.05 . 1 . . . . . . . . 5962 1 71 . 1 1 7 7 G H1' H 1 5.694 0.005 . 1 . . . . . . . . 5962 1 72 . 1 1 7 7 G H2' H 1 4.477 0.005 . 1 . . . . . . . . 5962 1 73 . 1 1 7 7 G H3' H 1 4.503 0.005 . 1 . . . . . . . . 5962 1 74 . 1 1 7 7 G H5'' H 1 4.087 0.005 . 1 . . . . . . . . 5962 1 75 . 1 1 7 7 G H1 H 1 12.81 0.005 . 1 . . . . . . . . 5962 1 76 . 1 1 7 7 G H8 H 1 7.536 0.005 . 1 . . . . . . . . 5962 1 77 . 1 1 7 7 G H22 H 1 5.946 0.005 . 1 . . . . . . . . 5962 1 78 . 1 1 7 7 G N1 N 15 147 0.05 . 1 . . . . . . . . 5962 1 79 . 1 1 7 7 G C8 C 13 136.2 0.05 . 1 . . . . . . . . 5962 1 80 . 1 1 8 8 U H1' H 1 5.533 0.005 . 1 . . . . . . . . 5962 1 81 . 1 1 8 8 U H2' H 1 4.545 0.005 . 1 . . . . . . . . 5962 1 82 . 1 1 8 8 U H3' H 1 4.576 0.005 . 1 . . . . . . . . 5962 1 83 . 1 1 8 8 U H4' H 1 4.431 0.005 . 1 . . . . . . . . 5962 1 84 . 1 1 8 8 U H5'' H 1 4.079 0.005 . 1 . . . . . . . . 5962 1 85 . 1 1 8 8 U H3 H 1 13.55 0.005 . 1 . . . . . . . . 5962 1 86 . 1 1 8 8 U H5 H 1 5.103 0.005 . 1 . . . . . . . . 5962 1 87 . 1 1 8 8 U H6 H 1 7.726 0.005 . 1 . . . . . . . . 5962 1 88 . 1 1 8 8 U N3 N 15 159.7 0.05 . 1 . . . . . . . . 5962 1 89 . 1 1 8 8 U C5 C 13 102.8 0.05 . 1 . . . . . . . . 5962 1 90 . 1 1 8 8 U C6 C 13 141.5 0.05 . 1 . . . . . . . . 5962 1 91 . 1 1 9 9 A H1' H 1 6.01 0.005 . 1 . . . . . . . . 5962 1 92 . 1 1 9 9 A H2' H 1 4.509 0.005 . 1 . . . . . . . . 5962 1 93 . 1 1 9 9 A H3' H 1 4.568 0.005 . 1 . . . . . . . . 5962 1 94 . 1 1 9 9 A H4' H 1 4.524 0.005 . 1 . . . . . . . . 5962 1 95 . 1 1 9 9 A H5' H 1 4.446 0.005 . 1 . . . . . . . . 5962 1 96 . 1 1 9 9 A H5'' H 1 4.155 0.005 . 1 . . . . . . . . 5962 1 97 . 1 1 9 9 A H2 H 1 7.274 0.005 . 1 . . . . . . . . 5962 1 98 . 1 1 9 9 A H8 H 1 8.046 0.005 . 1 . . . . . . . . 5962 1 99 . 1 1 9 9 A H62 H 1 6.484 0.005 . 1 . . . . . . . . 5962 1 100 . 1 1 9 9 A N1 N 15 223 0.05 . 1 . . . . . . . . 5962 1 101 . 1 1 9 9 A N3 N 15 213.7 0.05 . 1 . . . . . . . . 5962 1 102 . 1 1 9 9 A C2 C 13 153.8 0.05 . 1 . . . . . . . . 5962 1 103 . 1 1 9 9 A C8 C 13 139.8 0.05 . 1 . . . . . . . . 5962 1 104 . 1 1 9 9 A C1' C 13 92.71 0.05 . 1 . . . . . . . . 5962 1 105 . 1 1 9 9 A C2' C 13 75.83 0.05 . 1 . . . . . . . . 5962 1 106 . 1 1 9 9 A C3' C 13 73.17 0.05 . 1 . . . . . . . . 5962 1 107 . 1 1 9 9 A C4' C 13 82.55 0.05 . 1 . . . . . . . . 5962 1 108 . 1 1 9 9 A C5' C 13 65.61 0.05 . 1 . . . . . . . . 5962 1 109 . 1 1 10 10 U H1' H 1 5.52 0.005 . 1 . . . . . . . . 5962 1 110 . 1 1 10 10 U H2' H 1 4.247 0.005 . 1 . . . . . . . . 5962 1 111 . 1 1 10 10 U H3' H 1 4.577 0.005 . 1 . . . . . . . . 5962 1 112 . 1 1 10 10 U H5'' H 1 4.091 0.005 . 1 . . . . . . . . 5962 1 113 . 1 1 10 10 U H5 H 1 5.386 0.005 . 1 . . . . . . . . 5962 1 114 . 1 1 10 10 U H6 H 1 7.519 0.005 . 1 . . . . . . . . 5962 1 115 . 1 1 10 10 U C5 C 13 104.1 0.05 . 1 . . . . . . . . 5962 1 116 . 1 1 10 10 U C6 C 13 141.3 0.05 . 1 . . . . . . . . 5962 1 117 . 1 1 11 11 G H1' H 1 5.71 0.005 . 1 . . . . . . . . 5962 1 118 . 1 1 11 11 G H2' H 1 4.6 0.005 . 1 . . . . . . . . 5962 1 119 . 1 1 11 11 G H3' H 1 4.454 0.005 . 1 . . . . . . . . 5962 1 120 . 1 1 11 11 G H1 H 1 12.52 0.005 . 1 . . . . . . . . 5962 1 121 . 1 1 11 11 G H8 H 1 7.848 0.005 . 1 . . . . . . . . 5962 1 122 . 1 1 11 11 G N1 N 15 147.5 0.05 . 1 . . . . . . . . 5962 1 123 . 1 1 11 11 G C8 C 13 139 0.05 . 1 . . . . . . . . 5962 1 124 . 1 1 12 12 C H1' H 1 5.479 0.005 . 1 . . . . . . . . 5962 1 125 . 1 1 12 12 C H2' H 1 4.561 0.005 . 1 . . . . . . . . 5962 1 126 . 1 1 12 12 C H3' H 1 4.472 0.005 . 1 . . . . . . . . 5962 1 127 . 1 1 12 12 C H5' H 1 4.415 0.005 . 1 . . . . . . . . 5962 1 128 . 1 1 12 12 C H5'' H 1 4.106 0.005 . 1 . . . . . . . . 5962 1 129 . 1 1 12 12 C H5 H 1 5.182 0.005 . 1 . . . . . . . . 5962 1 130 . 1 1 12 12 C H6 H 1 7.627 0.005 . 1 . . . . . . . . 5962 1 131 . 1 1 12 12 C H41 H 1 8.336 0.005 . 1 . . . . . . . . 5962 1 132 . 1 1 12 12 C H42 H 1 6.669 0.005 . 1 . . . . . . . . 5962 1 133 . 1 1 12 12 C N3 N 15 196.6 0.05 . 1 . . . . . . . . 5962 1 134 . 1 1 12 12 C C5 C 13 97.19 0.05 . 1 . . . . . . . . 5962 1 135 . 1 1 12 12 C C6 C 13 140.9 0.05 . 1 . . . . . . . . 5962 1 136 . 1 1 13 13 G H1' H 1 5.665 0.005 . 1 . . . . . . . . 5962 1 137 . 1 1 13 13 G H2' H 1 4.59 0.005 . 1 . . . . . . . . 5962 1 138 . 1 1 13 13 G H3' H 1 4.105 0.005 . 1 . . . . . . . . 5962 1 139 . 1 1 13 13 G H5' H 1 4.408 0.005 . 1 . . . . . . . . 5962 1 140 . 1 1 13 13 G H5'' H 1 4.134 0.005 . 1 . . . . . . . . 5962 1 141 . 1 1 13 13 G H1 H 1 12 0.005 . 1 . . . . . . . . 5962 1 142 . 1 1 13 13 G H8 H 1 7.469 0.005 . 1 . . . . . . . . 5962 1 143 . 1 1 13 13 G H21 H 1 7.591 0.005 . 1 . . . . . . . . 5962 1 144 . 1 1 13 13 G H22 H 1 5.75 0.005 . 1 . . . . . . . . 5962 1 145 . 1 1 13 13 G N1 N 15 145.9 0.05 . 1 . . . . . . . . 5962 1 146 . 1 1 13 13 G C8 C 13 136.2 0.05 . 1 . . . . . . . . 5962 1 147 . 1 1 14 14 A H1' H 1 5.918 0.005 . 1 . . . . . . . . 5962 1 148 . 1 1 14 14 A H2' H 1 4.493 0.005 . 1 . . . . . . . . 5962 1 149 . 1 1 14 14 A H3' H 1 4.511 0.005 . 1 . . . . . . . . 5962 1 150 . 1 1 14 14 A H4' H 1 4.474 0.005 . 1 . . . . . . . . 5962 1 151 . 1 1 14 14 A H5' H 1 4.444 0.005 . 1 . . . . . . . . 5962 1 152 . 1 1 14 14 A H5'' H 1 4.105 0.005 . 1 . . . . . . . . 5962 1 153 . 1 1 14 14 A H2 H 1 7.755 0.005 . 1 . . . . . . . . 5962 1 154 . 1 1 14 14 A H8 H 1 7.674 0.005 . 1 . . . . . . . . 5962 1 155 . 1 1 14 14 A H61 H 1 8.047 0.005 . 1 . . . . . . . . 5962 1 156 . 1 1 14 14 A H62 H 1 6.648 0.005 . 1 . . . . . . . . 5962 1 157 . 1 1 14 14 A N1 N 15 221.7 0.05 . 1 . . . . . . . . 5962 1 158 . 1 1 14 14 A N3 N 15 212.9 0.05 . 1 . . . . . . . . 5962 1 159 . 1 1 14 14 A C2 C 13 153.9 0.05 . 1 . . . . . . . . 5962 1 160 . 1 1 14 14 A C8 C 13 139.1 0.05 . 1 . . . . . . . . 5962 1 161 . 1 1 15 15 U H1' H 1 5.335 0.005 . 1 . . . . . . . . 5962 1 162 . 1 1 15 15 U H2' H 1 4.209 0.005 . 1 . . . . . . . . 5962 1 163 . 1 1 15 15 U H3' H 1 4.437 0.005 . 1 . . . . . . . . 5962 1 164 . 1 1 15 15 U H4' H 1 4.357 0.005 . 1 . . . . . . . . 5962 1 165 . 1 1 15 15 U H5' H 1 4.47 0.005 . 1 . . . . . . . . 5962 1 166 . 1 1 15 15 U H5'' H 1 4.047 0.005 . 1 . . . . . . . . 5962 1 167 . 1 1 15 15 U H3 H 1 11.35 0.005 . 1 . . . . . . . . 5962 1 168 . 1 1 15 15 U H5 H 1 5.3 0.005 . 1 . . . . . . . . 5962 1 169 . 1 1 15 15 U H6 H 1 7.4 0.005 . 1 . . . . . . . . 5962 1 170 . 1 1 15 15 U N3 N 15 154.5 0.05 . 1 . . . . . . . . 5962 1 171 . 1 1 15 15 U C5 C 13 104.2 0.05 . 1 . . . . . . . . 5962 1 172 . 1 1 15 15 U C6 C 13 139.1 0.05 . 1 . . . . . . . . 5962 1 173 . 1 1 15 15 U C1' C 13 93.12 0.05 . 1 . . . . . . . . 5962 1 174 . 1 1 15 15 U C2' C 13 75.72 0.05 . 1 . . . . . . . . 5962 1 175 . 1 1 15 15 U C3' C 13 72.11 0.05 . 1 . . . . . . . . 5962 1 176 . 1 1 15 15 U C4' C 13 82.11 0.05 . 1 . . . . . . . . 5962 1 177 . 1 1 15 15 U C5' C 13 64.02 0.05 . 1 . . . . . . . . 5962 1 178 . 1 1 16 16 G H1' H 1 5.632 0.005 . 1 . . . . . . . . 5962 1 179 . 1 1 16 16 G H2' H 1 4.489 0.005 . 1 . . . . . . . . 5962 1 180 . 1 1 16 16 G H3' H 1 4.7 0.005 . 1 . . . . . . . . 5962 1 181 . 1 1 16 16 G H1 H 1 10.7 0.005 . 1 . . . . . . . . 5962 1 182 . 1 1 16 16 G H8 H 1 7.634 0.005 . 1 . . . . . . . . 5962 1 183 . 1 1 16 16 G N1 N 15 145.6 0.05 . 1 . . . . . . . . 5962 1 184 . 1 1 16 16 G C8 C 13 137.1 0.05 . 1 . . . . . . . . 5962 1 185 . 1 1 17 17 A H1' H 1 5.65 0.005 . 1 . . . . . . . . 5962 1 186 . 1 1 17 17 A H2' H 1 4.678 0.005 . 1 . . . . . . . . 5962 1 187 . 1 1 17 17 A H3' H 1 4.461 0.005 . 1 . . . . . . . . 5962 1 188 . 1 1 17 17 A H4' H 1 4.147 0.005 . 1 . . . . . . . . 5962 1 189 . 1 1 17 17 A H5' H 1 4.177 0.005 . 1 . . . . . . . . 5962 1 190 . 1 1 17 17 A H5'' H 1 3.966 0.005 . 1 . . . . . . . . 5962 1 191 . 1 1 17 17 A H2 H 1 7.743 0.005 . 1 . . . . . . . . 5962 1 192 . 1 1 17 17 A H8 H 1 8.317 0.005 . 1 . . . . . . . . 5962 1 193 . 1 1 17 17 A N1 N 15 224.7 0.05 . 1 . . . . . . . . 5962 1 194 . 1 1 17 17 A N3 N 15 215.8 0.05 . 1 . . . . . . . . 5962 1 195 . 1 1 17 17 A C2 C 13 154.4 0.05 . 1 . . . . . . . . 5962 1 196 . 1 1 17 17 A C8 C 13 142.2 0.05 . 1 . . . . . . . . 5962 1 197 . 1 1 18 18 A H1' H 1 5.473 0.005 . 1 . . . . . . . . 5962 1 198 . 1 1 18 18 A H2' H 1 4.393 0.005 . 1 . . . . . . . . 5962 1 199 . 1 1 18 18 A H3' H 1 4.634 0.005 . 1 . . . . . . . . 5962 1 200 . 1 1 18 18 A H4' H 1 4.332 0.005 . 1 . . . . . . . . 5962 1 201 . 1 1 18 18 A H5'' H 1 3.938 0.005 . 1 . . . . . . . . 5962 1 202 . 1 1 18 18 A H2 H 1 7.697 0.005 . 1 . . . . . . . . 5962 1 203 . 1 1 18 18 A H8 H 1 7.959 0.005 . 1 . . . . . . . . 5962 1 204 . 1 1 18 18 A N1 N 15 226.4 0.05 . 1 . . . . . . . . 5962 1 205 . 1 1 18 18 A N3 N 15 214.8 0.05 . 1 . . . . . . . . 5962 1 206 . 1 1 18 18 A C2 C 13 154.5 0.05 . 1 . . . . . . . . 5962 1 207 . 1 1 18 18 A C8 C 13 140.7 0.05 . 1 . . . . . . . . 5962 1 208 . 1 1 19 19 A H1' H 1 5.994 0.005 . 1 . . . . . . . . 5962 1 209 . 1 1 19 19 A H2' H 1 4.618 0.005 . 1 . . . . . . . . 5962 1 210 . 1 1 19 19 A H3' H 1 4.962 0.005 . 1 . . . . . . . . 5962 1 211 . 1 1 19 19 A H4' H 1 4.467 0.005 . 1 . . . . . . . . 5962 1 212 . 1 1 19 19 A H5' H 1 4.541 0.005 . 1 . . . . . . . . 5962 1 213 . 1 1 19 19 A H5'' H 1 4.285 0.005 . 1 . . . . . . . . 5962 1 214 . 1 1 19 19 A H2 H 1 8.159 0.005 . 1 . . . . . . . . 5962 1 215 . 1 1 19 19 A H8 H 1 8.192 0.005 . 1 . . . . . . . . 5962 1 216 . 1 1 19 19 A N1 N 15 226.2 0.05 . 1 . . . . . . . . 5962 1 217 . 1 1 19 19 A N3 N 15 215.9 0.05 . 1 . . . . . . . . 5962 1 218 . 1 1 19 19 A C2 C 13 155.5 0.05 . 1 . . . . . . . . 5962 1 219 . 1 1 19 19 A C8 C 13 141.1 0.05 . 1 . . . . . . . . 5962 1 220 . 1 1 19 19 A C1' C 13 91.47 0.05 . 1 . . . . . . . . 5962 1 221 . 1 1 19 19 A C2' C 13 76.43 0.05 . 1 . . . . . . . . 5962 1 222 . 1 1 19 19 A C3' C 13 73.94 0.05 . 1 . . . . . . . . 5962 1 223 . 1 1 19 19 A C4' C 13 82.69 0.05 . 1 . . . . . . . . 5962 1 224 . 1 1 19 19 A C5' C 13 65.75 0.05 . 1 . . . . . . . . 5962 1 225 . 1 1 20 20 G H1' H 1 4.04 0.005 . 1 . . . . . . . . 5962 1 226 . 1 1 20 20 G H2' H 1 4.369 0.005 . 1 . . . . . . . . 5962 1 227 . 1 1 20 20 G H3' H 1 4.457 0.005 . 1 . . . . . . . . 5962 1 228 . 1 1 20 20 G H4' H 1 4.283 0.005 . 1 . . . . . . . . 5962 1 229 . 1 1 20 20 G H5'' H 1 3.805 0.005 . 1 . . . . . . . . 5962 1 230 . 1 1 20 20 G H1 H 1 11.51 0.005 . 1 . . . . . . . . 5962 1 231 . 1 1 20 20 G H8 H 1 7.772 0.005 . 1 . . . . . . . . 5962 1 232 . 1 1 20 20 G N1 N 15 144.3 0.05 . 1 . . . . . . . . 5962 1 233 . 1 1 20 20 G C8 C 13 137.7 0.05 . 1 . . . . . . . . 5962 1 234 . 1 1 21 21 U H1' H 1 5.477 0.005 . 1 . . . . . . . . 5962 1 235 . 1 1 21 21 U H2' H 1 4.374 0.005 . 1 . . . . . . . . 5962 1 236 . 1 1 21 21 U H3 H 1 14.35 0.005 . 1 . . . . . . . . 5962 1 237 . 1 1 21 21 U H5 H 1 5.134 0.005 . 1 . . . . . . . . 5962 1 238 . 1 1 21 21 U H6 H 1 7.724 0.005 . 1 . . . . . . . . 5962 1 239 . 1 1 21 21 U N3 N 15 162.4 0.05 . 1 . . . . . . . . 5962 1 240 . 1 1 21 21 U C5 C 13 102.4 0.05 . 1 . . . . . . . . 5962 1 241 . 1 1 21 21 U C6 C 13 141.5 0.05 . 1 . . . . . . . . 5962 1 242 . 1 1 22 22 C H1' H 1 5.541 0.005 . 1 . . . . . . . . 5962 1 243 . 1 1 22 22 C H2' H 1 4.456 0.005 . 1 . . . . . . . . 5962 1 244 . 1 1 22 22 C H3' H 1 4.51 0.005 . 1 . . . . . . . . 5962 1 245 . 1 1 22 22 C H4' H 1 4.411 0.005 . 1 . . . . . . . . 5962 1 246 . 1 1 22 22 C H5'' H 1 4.071 0.005 . 1 . . . . . . . . 5962 1 247 . 1 1 22 22 C H5 H 1 5.588 0.005 . 1 . . . . . . . . 5962 1 248 . 1 1 22 22 C H6 H 1 7.823 0.005 . 1 . . . . . . . . 5962 1 249 . 1 1 22 22 C H41 H 1 8.306 0.005 . 1 . . . . . . . . 5962 1 250 . 1 1 22 22 C H42 H 1 6.908 0.005 . 1 . . . . . . . . 5962 1 251 . 1 1 22 22 C N3 N 15 196.9 0.05 . 1 . . . . . . . . 5962 1 252 . 1 1 22 22 C C5 C 13 97.54 0.05 . 1 . . . . . . . . 5962 1 253 . 1 1 22 22 C C6 C 13 141.2 0.05 . 1 . . . . . . . . 5962 1 254 . 1 1 23 23 G H1' H 1 5.617 0.005 . 1 . . . . . . . . 5962 1 255 . 1 1 23 23 G H2' H 1 4.462 0.005 . 1 . . . . . . . . 5962 1 256 . 1 1 23 23 G H3' H 1 4.424 0.005 . 1 . . . . . . . . 5962 1 257 . 1 1 23 23 G H4' H 1 4.534 0.005 . 1 . . . . . . . . 5962 1 258 . 1 1 23 23 G H5'' H 1 4.066 0.005 . 1 . . . . . . . . 5962 1 259 . 1 1 23 23 G H1 H 1 12.75 0.005 . 1 . . . . . . . . 5962 1 260 . 1 1 23 23 G H8 H 1 7.508 0.005 . 1 . . . . . . . . 5962 1 261 . 1 1 23 23 G H22 H 1 5.855 0.005 . 1 . . . . . . . . 5962 1 262 . 1 1 23 23 G N1 N 15 147.1 0.05 . 1 . . . . . . . . 5962 1 263 . 1 1 23 23 G C8 C 13 136.1 0.05 . 1 . . . . . . . . 5962 1 264 . 1 1 24 24 C H1' H 1 5.397 0.005 . 1 . . . . . . . . 5962 1 265 . 1 1 24 24 C H2' H 1 4.352 0.005 . 1 . . . . . . . . 5962 1 266 . 1 1 24 24 C H3' H 1 4.393 0.005 . 1 . . . . . . . . 5962 1 267 . 1 1 24 24 C H4' H 1 4.537 0.005 . 1 . . . . . . . . 5962 1 268 . 1 1 24 24 C H5'' H 1 4.069 0.005 . 1 . . . . . . . . 5962 1 269 . 1 1 24 24 C H5 H 1 5.127 0.005 . 1 . . . . . . . . 5962 1 270 . 1 1 24 24 C H6 H 1 7.45 0.005 . 1 . . . . . . . . 5962 1 271 . 1 1 24 24 C H41 H 1 8.152 0.005 . 1 . . . . . . . . 5962 1 272 . 1 1 24 24 C H42 H 1 6.874 0.005 . 1 . . . . . . . . 5962 1 273 . 1 1 24 24 C N3 N 15 196.1 0.05 . 1 . . . . . . . . 5962 1 274 . 1 1 24 24 C C5 C 13 97.12 0.05 . 1 . . . . . . . . 5962 1 275 . 1 1 24 24 C C6 C 13 140.3 0.05 . 1 . . . . . . . . 5962 1 276 . 1 1 25 25 A H1' H 1 5.839 0.005 . 1 . . . . . . . . 5962 1 277 . 1 1 25 25 A H2' H 1 4.183 0.005 . 1 . . . . . . . . 5962 1 278 . 1 1 25 25 A H3' H 1 4.533 0.005 . 1 . . . . . . . . 5962 1 279 . 1 1 25 25 A H4' H 1 4.405 0.005 . 1 . . . . . . . . 5962 1 280 . 1 1 25 25 A H5' H 1 4.449 0.005 . 1 . . . . . . . . 5962 1 281 . 1 1 25 25 A H5'' H 1 4.055 0.005 . 1 . . . . . . . . 5962 1 282 . 1 1 25 25 A H2 H 1 7.161 0.005 . 1 . . . . . . . . 5962 1 283 . 1 1 25 25 A H8 H 1 7.929 0.005 . 1 . . . . . . . . 5962 1 284 . 1 1 25 25 A N1 N 15 225.1 0.05 . 1 . . . . . . . . 5962 1 285 . 1 1 25 25 A N3 N 15 214.5 0.05 . 1 . . . . . . . . 5962 1 286 . 1 1 25 25 A C2 C 13 154 0.05 . 1 . . . . . . . . 5962 1 287 . 1 1 25 25 A C8 C 13 139.6 0.05 . 1 . . . . . . . . 5962 1 288 . 1 1 25 25 A C3' C 13 71.97 0.05 . 1 . . . . . . . . 5962 1 289 . 1 1 25 25 A C4' C 13 84.87 0.05 . 1 . . . . . . . . 5962 1 290 . 1 1 25 25 A C5' C 13 66.52 0.05 . 1 . . . . . . . . 5962 1 291 . 1 1 26 26 C H1' H 1 5.589 0.005 . 1 . . . . . . . . 5962 1 292 . 1 1 26 26 C H2' H 1 4.113 0.005 . 1 . . . . . . . . 5962 1 293 . 1 1 26 26 C H3' H 1 4.493 0.005 . 1 . . . . . . . . 5962 1 294 . 1 1 26 26 C H4' H 1 4.371 0.005 . 1 . . . . . . . . 5962 1 295 . 1 1 26 26 C H5' H 1 4.236 0.005 . 1 . . . . . . . . 5962 1 296 . 1 1 26 26 C H5'' H 1 4.042 0.005 . 1 . . . . . . . . 5962 1 297 . 1 1 26 26 C H5 H 1 5.408 0.005 . 1 . . . . . . . . 5962 1 298 . 1 1 26 26 C H6 H 1 7.434 0.005 . 1 . . . . . . . . 5962 1 299 . 1 1 26 26 C C5 C 13 97.41 0.05 . 1 . . . . . . . . 5962 1 300 . 1 1 26 26 C C6 C 13 141.8 0.05 . 1 . . . . . . . . 5962 1 301 . 1 1 27 27 G H1' H 1 5.63 0.005 . 1 . . . . . . . . 5962 1 302 . 1 1 27 27 G H2' H 1 4.703 0.005 . 1 . . . . . . . . 5962 1 303 . 1 1 27 27 G H3' H 1 4.68 0.005 . 1 . . . . . . . . 5962 1 304 . 1 1 27 27 G H4' H 1 4.555 0.005 . 1 . . . . . . . . 5962 1 305 . 1 1 27 27 G H8 H 1 7.849 0.005 . 1 . . . . . . . . 5962 1 306 . 1 1 27 27 G C8 C 13 139.5 0.05 . 1 . . . . . . . . 5962 1 307 . 1 1 27 27 G C1' C 13 86.12 0.05 . 1 . . . . . . . . 5962 1 308 . 1 1 27 27 G C2' C 13 75.08 0.05 . 1 . . . . . . . . 5962 1 309 . 1 1 27 27 G C3' C 13 75.02 0.05 . 1 . . . . . . . . 5962 1 310 . 1 1 27 27 G C4' C 13 83.44 0.05 . 1 . . . . . . . . 5962 1 311 . 1 1 27 27 G C5' C 13 67.71 0.05 . 1 . . . . . . . . 5962 1 312 . 1 1 28 28 U H1' H 1 5.659 0.005 . 1 . . . . . . . . 5962 1 313 . 1 1 28 28 U H2' H 1 4.508 0.005 . 1 . . . . . . . . 5962 1 314 . 1 1 28 28 U H3' H 1 4.607 0.005 . 1 . . . . . . . . 5962 1 315 . 1 1 28 28 U H4' H 1 4.623 0.005 . 1 . . . . . . . . 5962 1 316 . 1 1 28 28 U H5 H 1 5.563 0.005 . 1 . . . . . . . . 5962 1 317 . 1 1 28 28 U H6 H 1 7.847 0.005 . 1 . . . . . . . . 5962 1 318 . 1 1 28 28 U N3 N 15 161.7 0.05 . 1 . . . . . . . . 5962 1 319 . 1 1 28 28 U C5 C 13 104.2 0.05 . 1 . . . . . . . . 5962 1 320 . 1 1 28 28 U C6 C 13 142.2 0.05 . 1 . . . . . . . . 5962 1 321 . 1 1 29 29 A H1' H 1 6.022 0.005 . 1 . . . . . . . . 5962 1 322 . 1 1 29 29 A H2' H 1 4.564 0.005 . 1 . . . . . . . . 5962 1 323 . 1 1 29 29 A H3' H 1 4.709 0.005 . 1 . . . . . . . . 5962 1 324 . 1 1 29 29 A H4' H 1 4.547 0.005 . 1 . . . . . . . . 5962 1 325 . 1 1 29 29 A H5'' H 1 4.207 0.005 . 1 . . . . . . . . 5962 1 326 . 1 1 29 29 A H2 H 1 7.232 0.005 . 1 . . . . . . . . 5962 1 327 . 1 1 29 29 A H8 H 1 8.25 0.005 . 1 . . . . . . . . 5962 1 328 . 1 1 29 29 A H61 H 1 7.849 0.005 . 1 . . . . . . . . 5962 1 329 . 1 1 29 29 A N1 N 15 222.3 0.05 . 1 . . . . . . . . 5962 1 330 . 1 1 29 29 A N3 N 15 212.1 0.05 . 1 . . . . . . . . 5962 1 331 . 1 1 29 29 A C2 C 13 153.3 0.05 . 1 . . . . . . . . 5962 1 332 . 1 1 29 29 A C8 C 13 140.1 0.05 . 1 . . . . . . . . 5962 1 333 . 1 1 29 29 A C1' C 13 92.67 0.05 . 1 . . . . . . . . 5962 1 334 . 1 1 29 29 A C2' C 13 75.65 0.05 . 1 . . . . . . . . 5962 1 335 . 1 1 29 29 A C3' C 13 73.04 0.05 . 1 . . . . . . . . 5962 1 336 . 1 1 29 29 A C4' C 13 82.23 0.05 . 1 . . . . . . . . 5962 1 337 . 1 1 30 30 C H1' H 1 5.406 0.005 . 1 . . . . . . . . 5962 1 338 . 1 1 30 30 C H2' H 1 4.384 0.005 . 1 . . . . . . . . 5962 1 339 . 1 1 30 30 C H3' H 1 4.486 0.005 . 1 . . . . . . . . 5962 1 340 . 1 1 30 30 C H4' H 1 4.405 0.005 . 1 . . . . . . . . 5962 1 341 . 1 1 30 30 C H5' H 1 4.432 0.005 . 1 . . . . . . . . 5962 1 342 . 1 1 30 30 C H5'' H 1 4.049 0.005 . 1 . . . . . . . . 5962 1 343 . 1 1 30 30 C H5 H 1 5.181 0.005 . 1 . . . . . . . . 5962 1 344 . 1 1 30 30 C H6 H 1 7.467 0.005 . 1 . . . . . . . . 5962 1 345 . 1 1 30 30 C H41 H 1 8.166 0.005 . 1 . . . . . . . . 5962 1 346 . 1 1 30 30 C H42 H 1 6.83 0.005 . 1 . . . . . . . . 5962 1 347 . 1 1 30 30 C N3 N 15 196.7 0.05 . 1 . . . . . . . . 5962 1 348 . 1 1 30 30 C C5 C 13 97.25 0.05 . 1 . . . . . . . . 5962 1 349 . 1 1 30 30 C C6 C 13 140.4 0.05 . 1 . . . . . . . . 5962 1 350 . 1 1 31 31 G H1' H 1 5.695 0.005 . 1 . . . . . . . . 5962 1 351 . 1 1 31 31 G H2' H 1 4.644 0.005 . 1 . . . . . . . . 5962 1 352 . 1 1 31 31 G H3' H 1 4.544 0.005 . 1 . . . . . . . . 5962 1 353 . 1 1 31 31 G H5' H 1 4.409 0.005 . 1 . . . . . . . . 5962 1 354 . 1 1 31 31 G H5'' H 1 4.097 0.005 . 1 . . . . . . . . 5962 1 355 . 1 1 31 31 G H1 H 1 12.47 0.005 . 1 . . . . . . . . 5962 1 356 . 1 1 31 31 G H8 H 1 7.487 0.005 . 1 . . . . . . . . 5962 1 357 . 1 1 31 31 G H21 H 1 8.04 0.005 . 1 . . . . . . . . 5962 1 358 . 1 1 31 31 G H22 H 1 5.889 0.005 . 1 . . . . . . . . 5962 1 359 . 1 1 31 31 G N1 N 15 146.5 0.05 . 1 . . . . . . . . 5962 1 360 . 1 1 31 31 G C8 C 13 136.1 0.05 . 1 . . . . . . . . 5962 1 361 . 1 1 32 32 G H1' H 1 5.723 0.005 . 1 . . . . . . . . 5962 1 362 . 1 1 32 32 G H2' H 1 4.638 0.005 . 1 . . . . . . . . 5962 1 363 . 1 1 32 32 G H3' H 1 4.374 0.005 . 1 . . . . . . . . 5962 1 364 . 1 1 32 32 G H4' H 1 4.456 0.005 . 1 . . . . . . . . 5962 1 365 . 1 1 32 32 G H5' H 1 4.492 0.005 . 1 . . . . . . . . 5962 1 366 . 1 1 32 32 G H5'' H 1 4.07 0.005 . 1 . . . . . . . . 5962 1 367 . 1 1 32 32 G H1 H 1 13.43 0.005 . 1 . . . . . . . . 5962 1 368 . 1 1 32 32 G H8 H 1 7.209 0.005 . 1 . . . . . . . . 5962 1 369 . 1 1 32 32 G H22 H 1 6.181 0.005 . 1 . . . . . . . . 5962 1 370 . 1 1 32 32 G N1 N 15 148.3 0.05 . 1 . . . . . . . . 5962 1 371 . 1 1 32 32 G C8 C 13 135.9 0.05 . 1 . . . . . . . . 5962 1 372 . 1 1 33 33 U H1' H 1 5.536 0.005 . 1 . . . . . . . . 5962 1 373 . 1 1 33 33 U H2' H 1 4.172 0.005 . 1 . . . . . . . . 5962 1 374 . 1 1 33 33 U H3' H 1 4.54 0.005 . 1 . . . . . . . . 5962 1 375 . 1 1 33 33 U H3 H 1 12.22 0.005 . 1 . . . . . . . . 5962 1 376 . 1 1 33 33 U H5 H 1 5.427 0.005 . 1 . . . . . . . . 5962 1 377 . 1 1 33 33 U H6 H 1 7.743 0.005 . 1 . . . . . . . . 5962 1 378 . 1 1 33 33 U N3 N 15 158.5 0.05 . 1 . . . . . . . . 5962 1 379 . 1 1 33 33 U C5 C 13 103.8 0.05 . 1 . . . . . . . . 5962 1 380 . 1 1 33 33 U C6 C 13 140.5 0.05 . 1 . . . . . . . . 5962 1 381 . 1 1 34 34 U H1' H 1 5.641 0.005 . 1 . . . . . . . . 5962 1 382 . 1 1 34 34 U H2' H 1 4.501 0.005 . 1 . . . . . . . . 5962 1 383 . 1 1 34 34 U H3' H 1 4.538 0.005 . 1 . . . . . . . . 5962 1 384 . 1 1 34 34 U H4' H 1 4.412 0.005 . 1 . . . . . . . . 5962 1 385 . 1 1 34 34 U H5'' H 1 4.091 0.005 . 1 . . . . . . . . 5962 1 386 . 1 1 34 34 U H3 H 1 14.47 0.005 . 1 . . . . . . . . 5962 1 387 . 1 1 34 34 U H5 H 1 5.617 0.005 . 1 . . . . . . . . 5962 1 388 . 1 1 34 34 U H6 H 1 8.088 0.005 . 1 . . . . . . . . 5962 1 389 . 1 1 34 34 U N3 N 15 162.8 0.05 . 1 . . . . . . . . 5962 1 390 . 1 1 34 34 U C5 C 13 103.6 0.05 . 1 . . . . . . . . 5962 1 391 . 1 1 34 34 U C6 C 13 143.2 0.05 . 1 . . . . . . . . 5962 1 392 . 1 1 35 35 C H1' H 1 5.571 0.005 . 1 . . . . . . . . 5962 1 393 . 1 1 35 35 C H2' H 1 4.206 0.005 . 1 . . . . . . . . 5962 1 394 . 1 1 35 35 C H3' H 1 4.425 0.005 . 1 . . . . . . . . 5962 1 395 . 1 1 35 35 C H4' H 1 4.447 0.005 . 1 . . . . . . . . 5962 1 396 . 1 1 35 35 C H5'' H 1 4.081 0.005 . 1 . . . . . . . . 5962 1 397 . 1 1 35 35 C H5 H 1 5.685 0.005 . 1 . . . . . . . . 5962 1 398 . 1 1 35 35 C H6 H 1 7.894 0.005 . 1 . . . . . . . . 5962 1 399 . 1 1 35 35 C H41 H 1 8.497 0.005 . 1 . . . . . . . . 5962 1 400 . 1 1 35 35 C H42 H 1 7.058 0.005 . 1 . . . . . . . . 5962 1 401 . 1 1 35 35 C N3 N 15 198 0.05 . 1 . . . . . . . . 5962 1 402 . 1 1 35 35 C C5 C 13 97.83 0.05 . 1 . . . . . . . . 5962 1 403 . 1 1 35 35 C C6 C 13 142 0.05 . 1 . . . . . . . . 5962 1 404 . 1 1 35 35 C C4' C 13 82.21 0.05 . 1 . . . . . . . . 5962 1 405 . 1 1 36 36 C H1' H 1 5.704 0.005 . 1 . . . . . . . . 5962 1 406 . 1 1 36 36 C H5 H 1 5.482 0.005 . 1 . . . . . . . . 5962 1 407 . 1 1 36 36 C H6 H 1 7.671 0.005 . 1 . . . . . . . . 5962 1 408 . 1 1 36 36 C N3 N 15 197.8 0.05 . 1 . . . . . . . . 5962 1 409 . 1 1 36 36 C C5 C 13 97.51 0.05 . 1 . . . . . . . . 5962 1 410 . 1 1 36 36 C C6 C 13 140.9 0.05 . 1 . . . . . . . . 5962 1 stop_ save_