data_5632 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5632 _Entry.Title ; Solution structure of the p2b hairpin from human telomerase RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-19 _Entry.Accession_date 2002-12-19 _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 C. Theimer . A. . 5632 2 L. Finger . D. . 5632 3 L. Trantirek . . . 5632 4 J. Feigon . . . 5632 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5632 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 201 5632 '15N chemical shifts' 25 5632 '1H chemical shifts' 262 5632 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 2002-12-19 original author . 5632 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1NA2 'BMRB Entry Tracking System' 5632 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5632 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22426914 _Citation.DOI . _Citation.PubMed_ID 12525685 _Citation.Full_citation . _Citation.Title ; Mutations Linked to Dyskeratosis congenita Cause Changes in the Structural Equilibrium in Telomerase RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 100 _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 449 _Citation.Page_last 454 _Citation.Year 2003 _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 C. Theimer . A. . 5632 1 2 L. Finger . D. . 5632 1 3 L. Trantirek . . . 5632 1 4 J. Feigon . . . 5632 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hairpin 5632 1 'narrow minor groove' 5632 1 NMR 5632 1 pentaloop 5632 1 RNA 5632 1 telomerase 5632 1 'U-C base pair' 5632 1 'U tracts' 5632 1 'U-U base pair' 5632 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hTR_RNA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hTR_RNA _Assembly.Entry_ID 5632 _Assembly.ID 1 _Assembly.Name 'telomerase RNA p2b hairpin' _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 5632 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 'telomerase RNA p2b hairpin' 1 $hTR_RNA . . . native . . . . . 5632 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 1NA2 . . . . . . 5632 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hTR RNA' abbreviation 5632 1 'telomerase RNA p2b hairpin' system 5632 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hTR_RNA _Entity.Sf_category entity _Entity.Sf_framecode hTR_RNA _Entity.Entry_ID 5632 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human telomerase RNA' _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 ; GGGCUGUUUUUCUCGCUGAC UUUCAGCCCC ; _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 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9900 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 'hTR RNA' abbreviation 5632 1 'human telomerase RNA' common 5632 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 93 G . 5632 1 2 94 G . 5632 1 3 95 G . 5632 1 4 96 C . 5632 1 5 97 U . 5632 1 6 98 G . 5632 1 7 99 U . 5632 1 8 100 U . 5632 1 9 101 U . 5632 1 10 102 U . 5632 1 11 103 U . 5632 1 12 104 C . 5632 1 13 105 U . 5632 1 14 106 C . 5632 1 15 107 G . 5632 1 16 108 C . 5632 1 17 109 U . 5632 1 18 110 G . 5632 1 19 111 A . 5632 1 20 112 C . 5632 1 21 113 U . 5632 1 22 114 U . 5632 1 23 115 U . 5632 1 24 116 C . 5632 1 25 117 A . 5632 1 26 118 G . 5632 1 27 119 C . 5632 1 28 120 C . 5632 1 29 121 C . 5632 1 30 122 C . 5632 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 5632 1 . G 2 2 5632 1 . G 3 3 5632 1 . C 4 4 5632 1 . U 5 5 5632 1 . G 6 6 5632 1 . U 7 7 5632 1 . U 8 8 5632 1 . U 9 9 5632 1 . U 10 10 5632 1 . U 11 11 5632 1 . C 12 12 5632 1 . U 13 13 5632 1 . C 14 14 5632 1 . G 15 15 5632 1 . C 16 16 5632 1 . U 17 17 5632 1 . G 18 18 5632 1 . A 19 19 5632 1 . C 20 20 5632 1 . U 21 21 5632 1 . U 22 22 5632 1 . U 23 23 5632 1 . C 24 24 5632 1 . A 25 25 5632 1 . G 26 26 5632 1 . C 27 27 5632 1 . C 28 28 5632 1 . C 29 29 5632 1 . C 30 30 5632 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 5632 _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 $hTR_RNA . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5632 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 5632 _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 $hTR_RNA . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5632 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5632 _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 'human telomerase RNA' . . . 1 $hTR_RNA . . 1 . . mM . . . . 5632 1 2 'Na phosphate' . . . . . . . 10 . . mM . . . . 5632 1 3 KCl . . . . . . . 200 . . mM . . . . 5632 1 4 NaN3 . . . . . . . 0.2 . . % . . . . 5632 1 5 EDTA . . . . . . . 50 . . uM . . . . 5632 1 6 H2O . . . . . . . 95 . . % . . . . 5632 1 7 D2O . . . . . . . 5 . . % . . . . 5632 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5632 _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 'human telomerase RNA' '[U-100% 13C; U-100% 15N]' . . 1 $hTR_RNA . . 1 . . mM . . . . 5632 2 2 'Na phosphate' . . . . . . . 10 . . mM . . . . 5632 2 3 KCl . . . . . . . 200 . . mM . . . . 5632 2 4 NaN3 . . . . . . . 0.2 . . % . . . . 5632 2 5 EDTA . . . . . . . 50 . . uM . . . . 5632 2 6 H2O . . . . . . . 95 . . % . . . . 5632 2 7 D2O . . . . . . . 100 . . % . . . . 5632 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5632 _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 'human telomerase RNA' '[U-100% 13C; U-100% 15N]' . . 1 $hTR_RNA . . 1 . . mM . . . . 5632 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5632 _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' 200 . mM 5632 1 pH 6.3 0.2 n/a 5632 1 pressure 1 . atm 5632 1 temperature 278 1 K 5632 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 5632 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 5632 2 pH 6.3 0.2 n/a 5632 2 pressure 1 . atm 5632 2 temperature 293 1 K 5632 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5632 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5632 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 5632 _Software.ID 2 _Software.Name AURELIA _Software.Version 3.108 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5632 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5632 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5632 3 'structure solution' 5632 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5632 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5632 _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 Bruker DRX . 500 . . . 5632 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 5632 _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 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5632 1 2 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5632 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5632 1 4 '3D 13C NOESY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5632 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5632 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5632 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5632 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5632 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 13C NOESY-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5632 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5632 1 H 1 H20 protons . . . . ppm . internal direct 1.0 internal . . . . . . . . 5632 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5632 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5632 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 . 5632 1 . . 2 $sample_2 . 5632 1 . . 3 $sample_3 . 5632 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.758 . . 1 . . . . . . . . 5632 1 2 . 1 1 1 1 G H8 H 1 8.196 . . 1 . . . . . . . . 5632 1 3 . 1 1 1 1 G C8 C 13 136.444 . . 1 . . . . . . . . 5632 1 4 . 1 1 1 1 G N1 N 15 147.050 . . 1 . . . . . . . . 5632 1 5 . 1 1 1 1 G H1' H 1 5.927 . . 1 . . . . . . . . 5632 1 6 . 1 1 1 1 G H2' H 1 4.908 . . 1 . . . . . . . . 5632 1 7 . 1 1 1 1 G H3' H 1 4.621 . . 1 . . . . . . . . 5632 1 8 . 1 1 1 1 G H4' H 1 4.607 . . 1 . . . . . . . . 5632 1 9 . 1 1 1 1 G H5' H 1 4.527 . . 2 . . . . . . . . 5632 1 10 . 1 1 1 1 G H5'' H 1 4.306 . . 2 . . . . . . . . 5632 1 11 . 1 1 1 1 G C1' C 13 90.236 . . 1 . . . . . . . . 5632 1 12 . 1 1 1 1 G C2' C 13 72.577 . . 1 . . . . . . . . 5632 1 13 . 1 1 1 1 G C3' C 13 70.123 . . 1 . . . . . . . . 5632 1 14 . 1 1 1 1 G C4' C 13 80.565 . . 1 . . . . . . . . 5632 1 15 . 1 1 1 1 G C5' C 13 64.279 . . 1 . . . . . . . . 5632 1 16 . 1 1 2 2 G H1 H 1 12.744 . . 1 . . . . . . . . 5632 1 17 . 1 1 2 2 G H8 H 1 7.541 . . 1 . . . . . . . . 5632 1 18 . 1 1 2 2 G C8 C 13 134.229 . . 1 . . . . . . . . 5632 1 19 . 1 1 2 2 G N1 N 15 147.364 . . 1 . . . . . . . . 5632 1 20 . 1 1 2 2 G H1' H 1 5.936 . . 1 . . . . . . . . 5632 1 21 . 1 1 2 2 G H2' H 1 4.741 . . 1 . . . . . . . . 5632 1 22 . 1 1 2 2 G H3' H 1 4.706 . . 1 . . . . . . . . 5632 1 23 . 1 1 2 2 G H4' H 1 4.552 . . 1 . . . . . . . . 5632 1 24 . 1 1 2 2 G H5' H 1 4.556 . . 2 . . . . . . . . 5632 1 25 . 1 1 2 2 G H5'' H 1 4.209 . . 2 . . . . . . . . 5632 1 26 . 1 1 2 2 G C1' C 13 90.313 . . 1 . . . . . . . . 5632 1 27 . 1 1 2 2 G C2' C 13 73.082 . . 1 . . . . . . . . 5632 1 28 . 1 1 2 2 G C3' C 13 71.422 . . 1 . . . . . . . . 5632 1 29 . 1 1 2 2 G C4' C 13 79.603 . . 1 . . . . . . . . 5632 1 30 . 1 1 2 2 G C5' C 13 62.684 . . 1 . . . . . . . . 5632 1 31 . 1 1 3 3 G H1 H 1 13.225 . . 1 . . . . . . . . 5632 1 32 . 1 1 3 3 G H8 H 1 7.250 . . 1 . . . . . . . . 5632 1 33 . 1 1 3 3 G C8 C 13 133.550 . . 1 . . . . . . . . 5632 1 34 . 1 1 3 3 G N1 N 15 148.333 . . 1 . . . . . . . . 5632 1 35 . 1 1 3 3 G H1' H 1 5.816 . . 1 . . . . . . . . 5632 1 36 . 1 1 3 3 G H2' H 1 4.592 . . 1 . . . . . . . . 5632 1 37 . 1 1 3 3 G H3' H 1 4.457 . . 1 . . . . . . . . 5632 1 38 . 1 1 3 3 G H4' H 1 4.531 . . 1 . . . . . . . . 5632 1 39 . 1 1 3 3 G H5' H 1 4.505 . . 2 . . . . . . . . 5632 1 40 . 1 1 3 3 G H5'' H 1 4.094 . . 2 . . . . . . . . 5632 1 41 . 1 1 3 3 G C1' C 13 90.477 . . 1 . . . . . . . . 5632 1 42 . 1 1 3 3 G C2' C 13 72.723 . . 1 . . . . . . . . 5632 1 43 . 1 1 3 3 G C3' C 13 70.380 . . 1 . . . . . . . . 5632 1 44 . 1 1 3 3 G C4' C 13 79.584 . . 1 . . . . . . . . 5632 1 45 . 1 1 3 3 G C5' C 13 63.028 . . 1 . . . . . . . . 5632 1 46 . 1 1 4 4 C H41 H 1 8.648 . . 2 . . . . . . . . 5632 1 47 . 1 1 4 4 C H42 H 1 6.968 . . 2 . . . . . . . . 5632 1 48 . 1 1 4 4 C H5 H 1 5.233 . . 1 . . . . . . . . 5632 1 49 . 1 1 4 4 C H6 H 1 7.686 . . 1 . . . . . . . . 5632 1 50 . 1 1 4 4 C C5 C 13 95.700 . . 1 . . . . . . . . 5632 1 51 . 1 1 4 4 C C6 C 13 138.632 . . 1 . . . . . . . . 5632 1 52 . 1 1 4 4 C N4 N 15 98.496 . . 1 . . . . . . . . 5632 1 53 . 1 1 4 4 C H1' H 1 5.562 . . 1 . . . . . . . . 5632 1 54 . 1 1 4 4 C H2' H 1 4.349 . . 1 . . . . . . . . 5632 1 55 . 1 1 4 4 C H3' H 1 4.598 . . 1 . . . . . . . . 5632 1 56 . 1 1 4 4 C H4' H 1 4.321 . . 1 . . . . . . . . 5632 1 57 . 1 1 4 4 C H5' H 1 4.564 . . 2 . . . . . . . . 5632 1 58 . 1 1 4 4 C H5'' H 1 4.115 . . 2 . . . . . . . . 5632 1 59 . 1 1 4 4 C C1' C 13 91.333 . . 1 . . . . . . . . 5632 1 60 . 1 1 4 4 C C2' C 13 73.326 . . 1 . . . . . . . . 5632 1 61 . 1 1 4 4 C C3' C 13 69.818 . . 1 . . . . . . . . 5632 1 62 . 1 1 4 4 C C4' C 13 80.401 . . 1 . . . . . . . . 5632 1 63 . 1 1 4 4 C C5' C 13 61.841 . . 1 . . . . . . . . 5632 1 64 . 1 1 5 5 U H3 H 1 13.249 . . 1 . . . . . . . . 5632 1 65 . 1 1 5 5 U H5 H 1 5.462 . . 1 . . . . . . . . 5632 1 66 . 1 1 5 5 U H6 H 1 7.901 . . 1 . . . . . . . . 5632 1 67 . 1 1 5 5 U C2 C 13 150.04 . . 1 . . . . . . . . 5632 1 68 . 1 1 5 5 U C4 C 13 166.98 . . 1 . . . . . . . . 5632 1 69 . 1 1 5 5 U C5 C 13 101.373 . . 1 . . . . . . . . 5632 1 70 . 1 1 5 5 U C6 C 13 139.213 . . 1 . . . . . . . . 5632 1 71 . 1 1 5 5 U N3 N 15 160.936 . . 1 . . . . . . . . 5632 1 72 . 1 1 5 5 U H1' H 1 5.601 . . 1 . . . . . . . . 5632 1 73 . 1 1 5 5 U H2' H 1 4.743 . . 1 . . . . . . . . 5632 1 74 . 1 1 5 5 U H3' H 1 4.605 . . 1 . . . . . . . . 5632 1 75 . 1 1 5 5 U H4' H 1 4.454 . . 1 . . . . . . . . 5632 1 76 . 1 1 5 5 U H5' H 1 4.436 . . 2 . . . . . . . . 5632 1 77 . 1 1 5 5 U H5'' H 1 4.105 . . 2 . . . . . . . . 5632 1 78 . 1 1 5 5 U C1' C 13 90.862 . . 1 . . . . . . . . 5632 1 79 . 1 1 5 5 U C2' C 13 72.944 . . 1 . . . . . . . . 5632 1 80 . 1 1 5 5 U C3' C 13 69.845 . . 1 . . . . . . . . 5632 1 81 . 1 1 5 5 U C4' C 13 79.562 . . 1 . . . . . . . . 5632 1 82 . 1 1 5 5 U C5' C 13 63.105 . . 1 . . . . . . . . 5632 1 83 . 1 1 6 6 G H1 H 1 12.832 . . 1 . . . . . . . . 5632 1 84 . 1 1 6 6 G H21 H 1 8.276 . . 2 . . . . . . . . 5632 1 85 . 1 1 6 6 G H22 H 1 5.923 . . 2 . . . . . . . . 5632 1 86 . 1 1 6 6 G H8 H 1 7.631 . . 1 . . . . . . . . 5632 1 87 . 1 1 6 6 G C8 C 13 133.439 . . 1 . . . . . . . . 5632 1 88 . 1 1 6 6 G N1 N 15 146.896 . . 1 . . . . . . . . 5632 1 89 . 1 1 6 6 G N2 N 15 74.535 . . 1 . . . . . . . . 5632 1 90 . 1 1 6 6 G H1' H 1 5.810 . . 1 . . . . . . . . 5632 1 91 . 1 1 6 6 G H2' H 1 4.456 . . 1 . . . . . . . . 5632 1 92 . 1 1 6 6 G H3' H 1 4.319 . . 1 . . . . . . . . 5632 1 93 . 1 1 6 6 G H4' H 1 4.399 . . 1 . . . . . . . . 5632 1 94 . 1 1 6 6 G H5' H 1 4.474 . . 2 . . . . . . . . 5632 1 95 . 1 1 6 6 G H5'' H 1 4.160 . . 2 . . . . . . . . 5632 1 96 . 1 1 6 6 G C1' C 13 90.469 . . 1 . . . . . . . . 5632 1 97 . 1 1 6 6 G C2' C 13 70.380 . . 1 . . . . . . . . 5632 1 98 . 1 1 6 6 G C3' C 13 70.438 . . 1 . . . . . . . . 5632 1 99 . 1 1 6 6 G C4' C 13 79.746 . . 1 . . . . . . . . 5632 1 100 . 1 1 6 6 G C5' C 13 63.578 . . 1 . . . . . . . . 5632 1 101 . 1 1 7 7 U H3 H 1 11.363 . . 1 . . . . . . . . 5632 1 102 . 1 1 7 7 U H5 H 1 5.364 . . 1 . . . . . . . . 5632 1 103 . 1 1 7 7 U H6 H 1 7.603 . . 1 . . . . . . . . 5632 1 104 . 1 1 7 7 U C2 C 13 151.57 . . 1 . . . . . . . . 5632 1 105 . 1 1 7 7 U C4 C 13 164.02 . . 1 . . . . . . . . 5632 1 106 . 1 1 7 7 U C5 C 13 101.445 . . 1 . . . . . . . . 5632 1 107 . 1 1 7 7 U C6 C 13 137.996 . . 1 . . . . . . . . 5632 1 108 . 1 1 7 7 U N3 N 15 158.118 . . 1 . . . . . . . . 5632 1 109 . 1 1 7 7 U H1' H 1 5.372 . . 1 . . . . . . . . 5632 1 110 . 1 1 7 7 U H2' H 1 4.201 . . 1 . . . . . . . . 5632 1 111 . 1 1 7 7 U H3' H 1 4.430 . . 1 . . . . . . . . 5632 1 112 . 1 1 7 7 U H4' H 1 4.412 . . 1 . . . . . . . . 5632 1 113 . 1 1 7 7 U H5' H 1 4.470 . . 2 . . . . . . . . 5632 1 114 . 1 1 7 7 U H5'' H 1 4.075 . . 2 . . . . . . . . 5632 1 115 . 1 1 7 7 U C1' C 13 91.169 . . 1 . . . . . . . . 5632 1 116 . 1 1 7 7 U C2' C 13 72.987 . . 1 . . . . . . . . 5632 1 117 . 1 1 7 7 U C3' C 13 69.154 . . 1 . . . . . . . . 5632 1 118 . 1 1 7 7 U C4' C 13 79.966 . . 1 . . . . . . . . 5632 1 119 . 1 1 7 7 U C5' C 13 60.938 . . 1 . . . . . . . . 5632 1 120 . 1 1 8 8 U H3 H 1 11.477 . . 1 . . . . . . . . 5632 1 121 . 1 1 8 8 U H5 H 1 5.694 . . 1 . . . . . . . . 5632 1 122 . 1 1 8 8 U H6 H 1 7.958 . . 1 . . . . . . . . 5632 1 123 . 1 1 8 8 U C2 C 13 150.96 . . 1 . . . . . . . . 5632 1 124 . 1 1 8 8 U C4 C 13 165.35 . . 1 . . . . . . . . 5632 1 125 . 1 1 8 8 U C6 C 13 140.422 . . 1 . . . . . . . . 5632 1 126 . 1 1 8 8 U N3 N 15 157.038 . . 1 . . . . . . . . 5632 1 127 . 1 1 8 8 U H1' H 1 5.507 . . 1 . . . . . . . . 5632 1 128 . 1 1 8 8 U H2' H 1 4.314 . . 1 . . . . . . . . 5632 1 129 . 1 1 8 8 U H3' H 1 4.485 . . 1 . . . . . . . . 5632 1 130 . 1 1 8 8 U H4' H 1 4.410 . . 1 . . . . . . . . 5632 1 131 . 1 1 8 8 U H5' H 1 4.515 . . 2 . . . . . . . . 5632 1 132 . 1 1 8 8 U H5'' H 1 4.080 . . 2 . . . . . . . . 5632 1 133 . 1 1 8 8 U C1' C 13 90.723 . . 1 . . . . . . . . 5632 1 134 . 1 1 8 8 U C2' C 13 73.176 . . 1 . . . . . . . . 5632 1 135 . 1 1 8 8 U C3' C 13 69.806 . . 1 . . . . . . . . 5632 1 136 . 1 1 8 8 U C4' C 13 79.877 . . 1 . . . . . . . . 5632 1 137 . 1 1 8 8 U C5' C 13 61.671 . . 1 . . . . . . . . 5632 1 138 . 1 1 9 9 U H3 H 1 11.712 . . 1 . . . . . . . . 5632 1 139 . 1 1 9 9 U H5 H 1 5.619 . . 1 . . . . . . . . 5632 1 140 . 1 1 9 9 U H6 H 1 7.860 . . 1 . . . . . . . . 5632 1 141 . 1 1 9 9 U C2 C 13 150.48 . . 1 . . . . . . . . 5632 1 142 . 1 1 9 9 U C4 C 13 166.37 . . 1 . . . . . . . . 5632 1 143 . 1 1 9 9 U C6 C 13 140.994 . . 1 . . . . . . . . 5632 1 144 . 1 1 9 9 U N3 N 15 157.332 . . 1 . . . . . . . . 5632 1 145 . 1 1 9 9 U H1' H 1 5.640 . . 1 . . . . . . . . 5632 1 146 . 1 1 9 9 U H2' H 1 4.352 . . 1 . . . . . . . . 5632 1 147 . 1 1 9 9 U H3' H 1 4.429 . . 1 . . . . . . . . 5632 1 148 . 1 1 9 9 U H4' H 1 4.399 . . 1 . . . . . . . . 5632 1 149 . 1 1 9 9 U H5' H 1 4.601 . . 2 . . . . . . . . 5632 1 150 . 1 1 9 9 U H5'' H 1 4.123 . . 2 . . . . . . . . 5632 1 151 . 1 1 9 9 U C1' C 13 91.858 . . 1 . . . . . . . . 5632 1 152 . 1 1 9 9 U C2' C 13 73.151 . . 1 . . . . . . . . 5632 1 153 . 1 1 9 9 U C3' C 13 69.702 . . 1 . . . . . . . . 5632 1 154 . 1 1 9 9 U C4' C 13 79.670 . . 1 . . . . . . . . 5632 1 155 . 1 1 9 9 U C5' C 13 61.629 . . 1 . . . . . . . . 5632 1 156 . 1 1 10 10 U H5 H 1 5.644 . . 1 . . . . . . . . 5632 1 157 . 1 1 10 10 U H6 H 1 8.028 . . 1 . . . . . . . . 5632 1 158 . 1 1 10 10 U C6 C 13 139.917 . . 1 . . . . . . . . 5632 1 159 . 1 1 10 10 U H1' H 1 5.828 . . 1 . . . . . . . . 5632 1 160 . 1 1 10 10 U H2' H 1 4.188 . . 1 . . . . . . . . 5632 1 161 . 1 1 10 10 U H3' H 1 4.638 . . 1 . . . . . . . . 5632 1 162 . 1 1 10 10 U H4' H 1 4.392 . . 1 . . . . . . . . 5632 1 163 . 1 1 10 10 U C1' C 13 91.298 . . 1 . . . . . . . . 5632 1 164 . 1 1 10 10 U C2' C 13 72.890 . . 1 . . . . . . . . 5632 1 165 . 1 1 10 10 U C3' C 13 69.640 . . 1 . . . . . . . . 5632 1 166 . 1 1 10 10 U C4' C 13 79.751 . . 1 . . . . . . . . 5632 1 167 . 1 1 11 11 U H3 H 1 14.755 . . 1 . . . . . . . . 5632 1 168 . 1 1 11 11 U H5 H 1 5.730 . . 1 . . . . . . . . 5632 1 169 . 1 1 11 11 U H6 H 1 8.125 . . 1 . . . . . . . . 5632 1 170 . 1 1 11 11 U C6 C 13 140.635 . . 1 . . . . . . . . 5632 1 171 . 1 1 11 11 U N3 N 15 163.457 . . 1 . . . . . . . . 5632 1 172 . 1 1 11 11 U H1' H 1 5.844 . . 1 . . . . . . . . 5632 1 173 . 1 1 11 11 U H2' H 1 4.609 . . 1 . . . . . . . . 5632 1 174 . 1 1 11 11 U H3' H 1 4.627 . . 1 . . . . . . . . 5632 1 175 . 1 1 11 11 U H4' H 1 4.440 . . 1 . . . . . . . . 5632 1 176 . 1 1 11 11 U H5' H 1 4.505 . . 2 . . . . . . . . 5632 1 177 . 1 1 11 11 U H5'' H 1 4.141 . . 2 . . . . . . . . 5632 1 178 . 1 1 11 11 U C1' C 13 89.959 . . 1 . . . . . . . . 5632 1 179 . 1 1 11 11 U C2' C 13 72.835 . . 1 . . . . . . . . 5632 1 180 . 1 1 11 11 U C3' C 13 70.492 . . 1 . . . . . . . . 5632 1 181 . 1 1 11 11 U C4' C 13 79.696 . . 1 . . . . . . . . 5632 1 182 . 1 1 11 11 U C5' C 13 62.070 . . 1 . . . . . . . . 5632 1 183 . 1 1 12 12 C H41 H 1 8.343 . . 2 . . . . . . . . 5632 1 184 . 1 1 12 12 C H42 H 1 6.985 . . 2 . . . . . . . . 5632 1 185 . 1 1 12 12 C H5 H 1 5.659 . . 1 . . . . . . . . 5632 1 186 . 1 1 12 12 C H6 H 1 7.717 . . 1 . . . . . . . . 5632 1 187 . 1 1 12 12 C C5 C 13 95.781 . . 1 . . . . . . . . 5632 1 188 . 1 1 12 12 C C6 C 13 139.432 . . 1 . . . . . . . . 5632 1 189 . 1 1 12 12 C N4 N 15 97.390 . . 1 . . . . . . . . 5632 1 190 . 1 1 12 12 C H1' H 1 5.669 . . 1 . . . . . . . . 5632 1 191 . 1 1 12 12 C H2' H 1 4.502 . . 1 . . . . . . . . 5632 1 192 . 1 1 12 12 C H3' H 1 4.216 . . 1 . . . . . . . . 5632 1 193 . 1 1 12 12 C H4' H 1 4.502 . . 1 . . . . . . . . 5632 1 194 . 1 1 12 12 C H5' H 1 4.443 . . 2 . . . . . . . . 5632 1 195 . 1 1 12 12 C H5'' H 1 4.110 . . 2 . . . . . . . . 5632 1 196 . 1 1 12 12 C C1' C 13 91.699 . . 1 . . . . . . . . 5632 1 197 . 1 1 12 12 C C2' C 13 73.248 . . 1 . . . . . . . . 5632 1 198 . 1 1 12 12 C C3' C 13 70.679 . . 1 . . . . . . . . 5632 1 199 . 1 1 12 12 C C4' C 13 80.049 . . 1 . . . . . . . . 5632 1 200 . 1 1 12 12 C C5' C 13 62.151 . . 1 . . . . . . . . 5632 1 201 . 1 1 13 13 U H5 H 1 5.629 . . 1 . . . . . . . . 5632 1 202 . 1 1 13 13 U H6 H 1 7.732 . . 1 . . . . . . . . 5632 1 203 . 1 1 13 13 U H1' H 1 5.605 . . 1 . . . . . . . . 5632 1 204 . 1 1 13 13 U H2' H 1 4.413 . . 1 . . . . . . . . 5632 1 205 . 1 1 13 13 U H3' H 1 4.437 . . 1 . . . . . . . . 5632 1 206 . 1 1 13 13 U H4' H 1 4.333 . . 1 . . . . . . . . 5632 1 207 . 1 1 13 13 U H5' H 1 4.431 . . 2 . . . . . . . . 5632 1 208 . 1 1 13 13 U H5'' H 1 4.116 . . 2 . . . . . . . . 5632 1 209 . 1 1 13 13 U C1' C 13 91.118 . . 1 . . . . . . . . 5632 1 210 . 1 1 13 13 U C2' C 13 72.869 . . 1 . . . . . . . . 5632 1 211 . 1 1 13 13 U C3' C 13 70.099 . . 1 . . . . . . . . 5632 1 212 . 1 1 13 13 U C4' C 13 80.362 . . 1 . . . . . . . . 5632 1 213 . 1 1 13 13 U C5' C 13 61.901 . . 1 . . . . . . . . 5632 1 214 . 1 1 14 14 C H5 H 1 5.743 . . 1 . . . . . . . . 5632 1 215 . 1 1 14 14 C H6 H 1 7.803 . . 1 . . . . . . . . 5632 1 216 . 1 1 14 14 C C5 C 13 96.053 . . 1 . . . . . . . . 5632 1 217 . 1 1 14 14 C C6 C 13 140.210 . . 1 . . . . . . . . 5632 1 218 . 1 1 14 14 C H1' H 1 5.491 . . 1 . . . . . . . . 5632 1 219 . 1 1 14 14 C H2' H 1 4.270 . . 1 . . . . . . . . 5632 1 220 . 1 1 14 14 C H3' H 1 4.421 . . 1 . . . . . . . . 5632 1 221 . 1 1 14 14 C H4' H 1 4.154 . . 1 . . . . . . . . 5632 1 222 . 1 1 14 14 C H5' H 1 4.199 . . 2 . . . . . . . . 5632 1 223 . 1 1 14 14 C H5'' H 1 3.977 . . 2 . . . . . . . . 5632 1 224 . 1 1 14 14 C C1' C 13 90.127 . . 1 . . . . . . . . 5632 1 225 . 1 1 14 14 C C2' C 13 73.281 . . 1 . . . . . . . . 5632 1 226 . 1 1 14 14 C C3' C 13 71.664 . . 1 . . . . . . . . 5632 1 227 . 1 1 14 14 C C4' C 13 80.477 . . 1 . . . . . . . . 5632 1 228 . 1 1 14 14 C C5' C 13 62.739 . . 1 . . . . . . . . 5632 1 229 . 1 1 15 15 G H21 H 1 6.351 . . 2 . . . . . . . . 5632 1 230 . 1 1 15 15 G H22 H 1 5.937 . . 2 . . . . . . . . 5632 1 231 . 1 1 15 15 G H8 H 1 7.872 . . 1 . . . . . . . . 5632 1 232 . 1 1 15 15 G C8 C 13 137.088 . . 1 . . . . . . . . 5632 1 233 . 1 1 15 15 G N2 N 15 72.361 . . 1 . . . . . . . . 5632 1 234 . 1 1 15 15 G H1' H 1 5.683 . . 1 . . . . . . . . 5632 1 235 . 1 1 15 15 G H2' H 1 3.925 . . 1 . . . . . . . . 5632 1 236 . 1 1 15 15 G H3' H 1 4.146 . . 1 . . . . . . . . 5632 1 237 . 1 1 15 15 G H4' H 1 4.050 . . 1 . . . . . . . . 5632 1 238 . 1 1 15 15 G H5' H 1 4.379 . . 2 . . . . . . . . 5632 1 239 . 1 1 15 15 G H5'' H 1 4.029 . . 2 . . . . . . . . 5632 1 240 . 1 1 15 15 G C1' C 13 90.338 . . 1 . . . . . . . . 5632 1 241 . 1 1 15 15 G C2' C 13 74.996 . . 1 . . . . . . . . 5632 1 242 . 1 1 15 15 G C3' C 13 67.257 . . 1 . . . . . . . . 5632 1 243 . 1 1 15 15 G C4' C 13 81.160 . . 1 . . . . . . . . 5632 1 244 . 1 1 15 15 G C5' C 13 62.387 . . 1 . . . . . . . . 5632 1 245 . 1 1 16 16 C H5 H 1 5.675 . . 1 . . . . . . . . 5632 1 246 . 1 1 16 16 C H6 H 1 7.708 . . 1 . . . . . . . . 5632 1 247 . 1 1 16 16 C C5 C 13 95.671 . . 1 . . . . . . . . 5632 1 248 . 1 1 16 16 C C6 C 13 140.764 . . 1 . . . . . . . . 5632 1 249 . 1 1 16 16 C H1' H 1 5.962 . . 1 . . . . . . . . 5632 1 250 . 1 1 16 16 C H2' H 1 4.362 . . 1 . . . . . . . . 5632 1 251 . 1 1 16 16 C H3' H 1 4.657 . . 1 . . . . . . . . 5632 1 252 . 1 1 16 16 C H4' H 1 4.418 . . 1 . . . . . . . . 5632 1 253 . 1 1 16 16 C H5' H 1 4.292 . . 2 . . . . . . . . 5632 1 254 . 1 1 16 16 C H5'' H 1 4.132 . . 2 . . . . . . . . 5632 1 255 . 1 1 16 16 C C1' C 13 88.852 . . 1 . . . . . . . . 5632 1 256 . 1 1 16 16 C C2' C 13 73.616 . . 1 . . . . . . . . 5632 1 257 . 1 1 16 16 C C3' C 13 74.229 . . 1 . . . . . . . . 5632 1 258 . 1 1 16 16 C C4' C 13 82.095 . . 1 . . . . . . . . 5632 1 259 . 1 1 16 16 C C5' C 13 64.579 . . 1 . . . . . . . . 5632 1 260 . 1 1 17 17 U H5 H 1 5.869 . . 1 . . . . . . . . 5632 1 261 . 1 1 17 17 U H6 H 1 7.861 . . 1 . . . . . . . . 5632 1 262 . 1 1 17 17 U C5 C 13 102.640 . . 1 . . . . . . . . 5632 1 263 . 1 1 17 17 U C6 C 13 140.997 . . 1 . . . . . . . . 5632 1 264 . 1 1 17 17 U H1' H 1 5.795 . . 1 . . . . . . . . 5632 1 265 . 1 1 17 17 U H2' H 1 4.564 . . 1 . . . . . . . . 5632 1 266 . 1 1 17 17 U H3' H 1 4.526 . . 1 . . . . . . . . 5632 1 267 . 1 1 17 17 U H4' H 1 4.508 . . 1 . . . . . . . . 5632 1 268 . 1 1 17 17 U H5' H 1 4.306 . . 2 . . . . . . . . 5632 1 269 . 1 1 17 17 U H5'' H 1 4.217 . . 2 . . . . . . . . 5632 1 270 . 1 1 17 17 U C1' C 13 89.474 . . 1 . . . . . . . . 5632 1 271 . 1 1 17 17 U C2' C 13 72.979 . . 1 . . . . . . . . 5632 1 272 . 1 1 17 17 U C3' C 13 72.950 . . 1 . . . . . . . . 5632 1 273 . 1 1 17 17 U C4' C 13 81.781 . . 1 . . . . . . . . 5632 1 274 . 1 1 17 17 U C5' C 13 65.146 . . 1 . . . . . . . . 5632 1 275 . 1 1 18 18 G H1 H 1 12.372 . . 1 . . . . . . . . 5632 1 276 . 1 1 18 18 G H8 H 1 7.869 . . 1 . . . . . . . . 5632 1 277 . 1 1 18 18 G C8 C 13 137.035 . . 1 . . . . . . . . 5632 1 278 . 1 1 18 18 G N1 N 15 146.896 . . 1 . . . . . . . . 5632 1 279 . 1 1 18 18 G H1' H 1 5.724 . . 1 . . . . . . . . 5632 1 280 . 1 1 18 18 G H2' H 1 4.774 . . 1 . . . . . . . . 5632 1 281 . 1 1 18 18 G H3' H 1 4.553 . . 1 . . . . . . . . 5632 1 282 . 1 1 18 18 G H4' H 1 4.487 . . 1 . . . . . . . . 5632 1 283 . 1 1 18 18 G H5' H 1 4.558 . . 2 . . . . . . . . 5632 1 284 . 1 1 18 18 G H5'' H 1 4.132 . . 2 . . . . . . . . 5632 1 285 . 1 1 18 18 G C1' C 13 89.946 . . 1 . . . . . . . . 5632 1 286 . 1 1 18 18 G C2' C 13 72.898 . . 1 . . . . . . . . 5632 1 287 . 1 1 18 18 G C3' C 13 70.190 . . 1 . . . . . . . . 5632 1 288 . 1 1 18 18 G C4' C 13 79.366 . . 1 . . . . . . . . 5632 1 289 . 1 1 18 18 G C5' C 13 62.347 . . 1 . . . . . . . . 5632 1 290 . 1 1 19 19 A H2 H 1 7.919 . . 1 . . . . . . . . 5632 1 291 . 1 1 19 19 A H61 H 1 8.150 . . 2 . . . . . . . . 5632 1 292 . 1 1 19 19 A H62 H 1 6.788 . . 2 . . . . . . . . 5632 1 293 . 1 1 19 19 A H8 H 1 7.878 . . 1 . . . . . . . . 5632 1 294 . 1 1 19 19 A C2 C 13 151.242 . . 1 . . . . . . . . 5632 1 295 . 1 1 19 19 A C8 C 13 135.220 . . 1 . . . . . . . . 5632 1 296 . 1 1 19 19 A N6 N 15 83.401 . . 1 . . . . . . . . 5632 1 297 . 1 1 19 19 A H1' H 1 6.081 . . 1 . . . . . . . . 5632 1 298 . 1 1 19 19 A H2' H 1 4.674 . . 1 . . . . . . . . 5632 1 299 . 1 1 19 19 A H3' H 1 4.434 . . 1 . . . . . . . . 5632 1 300 . 1 1 19 19 A H4' H 1 4.587 . . 1 . . . . . . . . 5632 1 301 . 1 1 19 19 A H5' H 1 4.528 . . 2 . . . . . . . . 5632 1 302 . 1 1 19 19 A H5'' H 1 4.200 . . 2 . . . . . . . . 5632 1 303 . 1 1 19 19 A C1' C 13 90.630 . . 1 . . . . . . . . 5632 1 304 . 1 1 19 19 A C2' C 13 72.996 . . 1 . . . . . . . . 5632 1 305 . 1 1 19 19 A C3' C 13 70.396 . . 1 . . . . . . . . 5632 1 306 . 1 1 19 19 A C4' C 13 79.826 . . 1 . . . . . . . . 5632 1 307 . 1 1 19 19 A C5' C 13 63.553 . . 1 . . . . . . . . 5632 1 308 . 1 1 20 20 C H41 H 1 7.729 . . 2 . . . . . . . . 5632 1 309 . 1 1 20 20 C H42 H 1 6.402 . . 2 . . . . . . . . 5632 1 310 . 1 1 20 20 C H5 H 1 4.922 . . 1 . . . . . . . . 5632 1 311 . 1 1 20 20 C H6 H 1 6.991 . . 1 . . . . . . . . 5632 1 312 . 1 1 20 20 C C5 C 13 93.998 . . 1 . . . . . . . . 5632 1 313 . 1 1 20 20 C C6 C 13 137.551 . . 1 . . . . . . . . 5632 1 314 . 1 1 20 20 C N4 N 15 94.796 . . 1 . . . . . . . . 5632 1 315 . 1 1 20 20 C H1' H 1 5.327 . . 1 . . . . . . . . 5632 1 316 . 1 1 20 20 C H2' H 1 4.460 . . 1 . . . . . . . . 5632 1 317 . 1 1 20 20 C H3' H 1 4.156 . . 1 . . . . . . . . 5632 1 318 . 1 1 20 20 C H4' H 1 4.377 . . 1 . . . . . . . . 5632 1 319 . 1 1 20 20 C H5' H 1 4.475 . . 2 . . . . . . . . 5632 1 320 . 1 1 20 20 C H5'' H 1 4.027 . . 2 . . . . . . . . 5632 1 321 . 1 1 20 20 C C1' C 13 91.190 . . 1 . . . . . . . . 5632 1 322 . 1 1 20 20 C C2' C 13 72.755 . . 1 . . . . . . . . 5632 1 323 . 1 1 20 20 C C3' C 13 69.412 . . 1 . . . . . . . . 5632 1 324 . 1 1 20 20 C C4' C 13 79.146 . . 1 . . . . . . . . 5632 1 325 . 1 1 20 20 C C5' C 13 61.452 . . 1 . . . . . . . . 5632 1 326 . 1 1 21 21 U H3 H 1 11.156 . . 1 . . . . . . . . 5632 1 327 . 1 1 21 21 U H5 H 1 5.624 . . 1 . . . . . . . . 5632 1 328 . 1 1 21 21 U H6 H 1 7.873 . . 1 . . . . . . . . 5632 1 329 . 1 1 21 21 U C2 C 13 151.89 . . 1 . . . . . . . . 5632 1 330 . 1 1 21 21 U C4 C 13 164.38 . . 1 . . . . . . . . 5632 1 331 . 1 1 21 21 U C6 C 13 138.713 . . 1 . . . . . . . . 5632 1 332 . 1 1 21 21 U N3 N 15 157.061 . . 1 . . . . . . . . 5632 1 333 . 1 1 21 21 U H1' H 1 5.645 . . 1 . . . . . . . . 5632 1 334 . 1 1 21 21 U H2' H 1 4.496 . . 1 . . . . . . . . 5632 1 335 . 1 1 21 21 U H3' H 1 4.357 . . 1 . . . . . . . . 5632 1 336 . 1 1 21 21 U H4' H 1 4.143 . . 1 . . . . . . . . 5632 1 337 . 1 1 21 21 U H5' H 1 4.147 . . 2 . . . . . . . . 5632 1 338 . 1 1 21 21 U H5'' H 1 3.986 . . 2 . . . . . . . . 5632 1 339 . 1 1 21 21 U C1' C 13 90.927 . . 1 . . . . . . . . 5632 1 340 . 1 1 21 21 U C2' C 13 72.716 . . 1 . . . . . . . . 5632 1 341 . 1 1 21 21 U C3' C 13 70.174 . . 1 . . . . . . . . 5632 1 342 . 1 1 21 21 U C4' C 13 80.074 . . 1 . . . . . . . . 5632 1 343 . 1 1 21 21 U C5' C 13 64.419 . . 1 . . . . . . . . 5632 1 344 . 1 1 22 22 U H3 H 1 11.352 . . 1 . . . . . . . . 5632 1 345 . 1 1 22 22 U H5 H 1 5.722 . . 1 . . . . . . . . 5632 1 346 . 1 1 22 22 U H6 H 1 7.956 . . 1 . . . . . . . . 5632 1 347 . 1 1 22 22 U C2 C 13 151.51 . . 1 . . . . . . . . 5632 1 348 . 1 1 22 22 U C4 C 13 165.20 . . 1 . . . . . . . . 5632 1 349 . 1 1 22 22 U C6 C 13 140.424 . . 1 . . . . . . . . 5632 1 350 . 1 1 22 22 U N3 N 15 157.034 . . 1 . . . . . . . . 5632 1 351 . 1 1 22 22 U H1' H 1 5.560 . . 1 . . . . . . . . 5632 1 352 . 1 1 22 22 U H2' H 1 4.278 . . 1 . . . . . . . . 5632 1 353 . 1 1 22 22 U H3' H 1 4.435 . . 1 . . . . . . . . 5632 1 354 . 1 1 22 22 U H4' H 1 4.472 . . 1 . . . . . . . . 5632 1 355 . 1 1 22 22 U H5' H 1 4.463 . . 2 . . . . . . . . 5632 1 356 . 1 1 22 22 U H5'' H 1 4.089 . . 2 . . . . . . . . 5632 1 357 . 1 1 22 22 U C1' C 13 91.270 . . 1 . . . . . . . . 5632 1 358 . 1 1 22 22 U C2' C 13 73.077 . . 1 . . . . . . . . 5632 1 359 . 1 1 22 22 U C3' C 13 70.523 . . 1 . . . . . . . . 5632 1 360 . 1 1 22 22 U C4' C 13 80.073 . . 1 . . . . . . . . 5632 1 361 . 1 1 22 22 U C5' C 13 62.987 . . 1 . . . . . . . . 5632 1 362 . 1 1 23 23 U H3 H 1 10.655 . . 1 . . . . . . . . 5632 1 363 . 1 1 23 23 U H5 H 1 5.718 . . 1 . . . . . . . . 5632 1 364 . 1 1 23 23 U H6 H 1 7.947 . . 1 . . . . . . . . 5632 1 365 . 1 1 23 23 U C2 C 13 150.01 . . 1 . . . . . . . . 5632 1 366 . 1 1 23 23 U C4 C 13 166.50 . . 1 . . . . . . . . 5632 1 367 . 1 1 23 23 U C6 C 13 141.193 . . 1 . . . . . . . . 5632 1 368 . 1 1 23 23 U N3 N 15 156.356 . . 1 . . . . . . . . 5632 1 369 . 1 1 23 23 U H1' H 1 5.584 . . 1 . . . . . . . . 5632 1 370 . 1 1 23 23 U H2' H 1 4.407 . . 1 . . . . . . . . 5632 1 371 . 1 1 23 23 U H3' H 1 4.463 . . 1 . . . . . . . . 5632 1 372 . 1 1 23 23 U H4' H 1 4.417 . . 1 . . . . . . . . 5632 1 373 . 1 1 23 23 U H5' H 1 4.548 . . 2 . . . . . . . . 5632 1 374 . 1 1 23 23 U H5'' H 1 4.131 . . 2 . . . . . . . . 5632 1 375 . 1 1 23 23 U C1' C 13 91.643 . . 1 . . . . . . . . 5632 1 376 . 1 1 23 23 U C2' C 13 72.601 . . 1 . . . . . . . . 5632 1 377 . 1 1 23 23 U C3' C 13 69.764 . . 1 . . . . . . . . 5632 1 378 . 1 1 23 23 U C4' C 13 79.906 . . 1 . . . . . . . . 5632 1 379 . 1 1 23 23 U C5' C 13 61.952 . . 1 . . . . . . . . 5632 1 380 . 1 1 24 24 C H41 H 1 8.422 . . 2 . . . . . . . . 5632 1 381 . 1 1 24 24 C H42 H 1 7.367 . . 2 . . . . . . . . 5632 1 382 . 1 1 24 24 C H5 H 1 5.937 . . 1 . . . . . . . . 5632 1 383 . 1 1 24 24 C H6 H 1 8.105 . . 1 . . . . . . . . 5632 1 384 . 1 1 24 24 C C5 C 13 95.893 . . 1 . . . . . . . . 5632 1 385 . 1 1 24 24 C C6 C 13 139.727 . . 1 . . . . . . . . 5632 1 386 . 1 1 24 24 C N4 N 15 98.554 . . 1 . . . . . . . . 5632 1 387 . 1 1 24 24 C H1' H 1 5.690 . . 1 . . . . . . . . 5632 1 388 . 1 1 24 24 C H2' H 1 4.652 . . 1 . . . . . . . . 5632 1 389 . 1 1 24 24 C H3' H 1 4.607 . . 1 . . . . . . . . 5632 1 390 . 1 1 24 24 C H4' H 1 4.379 . . 1 . . . . . . . . 5632 1 391 . 1 1 24 24 C H5' H 1 4.158 . . 2 . . . . . . . . 5632 1 392 . 1 1 24 24 C H5'' H 1 4.006 . . 2 . . . . . . . . 5632 1 393 . 1 1 24 24 C C1' C 13 88.799 . . 1 . . . . . . . . 5632 1 394 . 1 1 24 24 C C2' C 13 72.509 . . 1 . . . . . . . . 5632 1 395 . 1 1 24 24 C C3' C 13 73.667 . . 1 . . . . . . . . 5632 1 396 . 1 1 24 24 C C4' C 13 82.176 . . 1 . . . . . . . . 5632 1 397 . 1 1 24 24 C C5' C 13 64.475 . . 1 . . . . . . . . 5632 1 398 . 1 1 25 25 A H2 H 1 7.138 . . 1 . . . . . . . . 5632 1 399 . 1 1 25 25 A H61 H 1 8.233 . . 2 . . . . . . . . 5632 1 400 . 1 1 25 25 A H62 H 1 7.170 . . 2 . . . . . . . . 5632 1 401 . 1 1 25 25 A H8 H 1 8.154 . . 1 . . . . . . . . 5632 1 402 . 1 1 25 25 A C2 C 13 150.428 . . 1 . . . . . . . . 5632 1 403 . 1 1 25 25 A C8 C 13 137.457 . . 1 . . . . . . . . 5632 1 404 . 1 1 25 25 A N6 N 15 82.401 . . 1 . . . . . . . . 5632 1 405 . 1 1 25 25 A H1' H 1 5.975 . . 1 . . . . . . . . 5632 1 406 . 1 1 25 25 A H2' H 1 4.714 . . 1 . . . . . . . . 5632 1 407 . 1 1 25 25 A H3' H 1 4.705 . . 1 . . . . . . . . 5632 1 408 . 1 1 25 25 A H4' H 1 4.592 . . 1 . . . . . . . . 5632 1 409 . 1 1 25 25 A H5' H 1 4.540 . . 2 . . . . . . . . 5632 1 410 . 1 1 25 25 A H5'' H 1 4.284 . . 2 . . . . . . . . 5632 1 411 . 1 1 25 25 A C1' C 13 90.356 . . 1 . . . . . . . . 5632 1 412 . 1 1 25 25 A C2' C 13 73.114 . . 1 . . . . . . . . 5632 1 413 . 1 1 25 25 A C3' C 13 70.771 . . 1 . . . . . . . . 5632 1 414 . 1 1 25 25 A C4' C 13 79.807 . . 1 . . . . . . . . 5632 1 415 . 1 1 25 25 A C5' C 13 63.910 . . 1 . . . . . . . . 5632 1 416 . 1 1 26 26 G H1 H 1 13.478 . . 1 . . . . . . . . 5632 1 417 . 1 1 26 26 G H8 H 1 7.463 . . 1 . . . . . . . . 5632 1 418 . 1 1 26 26 G C8 C 13 133.458 . . 1 . . . . . . . . 5632 1 419 . 1 1 26 26 G N1 N 15 147.853 . . 1 . . . . . . . . 5632 1 420 . 1 1 26 26 G H1' H 1 5.731 . . 1 . . . . . . . . 5632 1 421 . 1 1 26 26 G H2' H 1 4.424 . . 1 . . . . . . . . 5632 1 422 . 1 1 26 26 G H3' H 1 4.614 . . 1 . . . . . . . . 5632 1 423 . 1 1 26 26 G H4' H 1 4.536 . . 1 . . . . . . . . 5632 1 424 . 1 1 26 26 G H5' H 1 4.431 . . 2 . . . . . . . . 5632 1 425 . 1 1 26 26 G H5'' H 1 4.219 . . 2 . . . . . . . . 5632 1 426 . 1 1 26 26 G C1' C 13 89.792 . . 1 . . . . . . . . 5632 1 427 . 1 1 26 26 G C2' C 13 72.779 . . 1 . . . . . . . . 5632 1 428 . 1 1 26 26 G C3' C 13 71.608 . . 1 . . . . . . . . 5632 1 429 . 1 1 26 26 G C4' C 13 80.365 . . 1 . . . . . . . . 5632 1 430 . 1 1 26 26 G C5' C 13 64.412 . . 1 . . . . . . . . 5632 1 431 . 1 1 27 27 C H41 H 1 8.633 . . 2 . . . . . . . . 5632 1 432 . 1 1 27 27 C H42 H 1 6.892 . . 2 . . . . . . . . 5632 1 433 . 1 1 27 27 C H5 H 1 5.219 . . 1 . . . . . . . . 5632 1 434 . 1 1 27 27 C H6 H 1 7.709 . . 1 . . . . . . . . 5632 1 435 . 1 1 27 27 C C5 C 13 94.643 . . 1 . . . . . . . . 5632 1 436 . 1 1 27 27 C N4 N 15 99.030 . . 1 . . . . . . . . 5632 1 437 . 1 1 27 27 C H1' H 1 5.534 . . 1 . . . . . . . . 5632 1 438 . 1 1 27 27 C H2' H 1 4.343 . . 1 . . . . . . . . 5632 1 439 . 1 1 27 27 C H3' H 1 4.463 . . 1 . . . . . . . . 5632 1 440 . 1 1 27 27 C H4' H 1 4.431 . . 1 . . . . . . . . 5632 1 441 . 1 1 27 27 C H5' H 1 4.543 . . 2 . . . . . . . . 5632 1 442 . 1 1 27 27 C H5'' H 1 4.075 . . 2 . . . . . . . . 5632 1 443 . 1 1 27 27 C C1' C 13 91.195 . . 1 . . . . . . . . 5632 1 444 . 1 1 27 27 C C2' C 13 72.975 . . 1 . . . . . . . . 5632 1 445 . 1 1 27 27 C C3' C 13 69.445 . . 1 . . . . . . . . 5632 1 446 . 1 1 27 27 C C4' C 13 79.311 . . 1 . . . . . . . . 5632 1 447 . 1 1 27 27 C C5' C 13 61.571 . . 1 . . . . . . . . 5632 1 448 . 1 1 28 28 C H41 H 1 8.615 . . 2 . . . . . . . . 5632 1 449 . 1 1 28 28 C H42 H 1 6.882 . . 2 . . . . . . . . 5632 1 450 . 1 1 28 28 C H5 H 1 5.496 . . 1 . . . . . . . . 5632 1 451 . 1 1 28 28 C H6 H 1 7.822 . . 1 . . . . . . . . 5632 1 452 . 1 1 28 28 C C5 C 13 95.269 . . 1 . . . . . . . . 5632 1 453 . 1 1 28 28 C C6 C 13 138.896 . . 1 . . . . . . . . 5632 1 454 . 1 1 28 28 C N4 N 15 98.458 . . 1 . . . . . . . . 5632 1 455 . 1 1 28 28 C H1' H 1 5.542 . . 1 . . . . . . . . 5632 1 456 . 1 1 28 28 C H2' H 1 4.416 . . 1 . . . . . . . . 5632 1 457 . 1 1 28 28 C H3' H 1 4.442 . . 1 . . . . . . . . 5632 1 458 . 1 1 28 28 C C1' C 13 91.488 . . 1 . . . . . . . . 5632 1 459 . 1 1 28 28 C C2' C 13 72.855 . . 1 . . . . . . . . 5632 1 460 . 1 1 28 28 C C3' C 13 69.885 . . 1 . . . . . . . . 5632 1 461 . 1 1 29 29 C H41 H 1 8.421 . . 2 . . . . . . . . 5632 1 462 . 1 1 29 29 C H42 H 1 7.032 . . 2 . . . . . . . . 5632 1 463 . 1 1 29 29 C H5 H 1 5.482 . . 1 . . . . . . . . 5632 1 464 . 1 1 29 29 C H6 H 1 7.721 . . 1 . . . . . . . . 5632 1 465 . 1 1 29 29 C C5 C 13 95.265 . . 1 . . . . . . . . 5632 1 466 . 1 1 29 29 C N4 N 15 97.924 . . 1 . . . . . . . . 5632 1 467 . 1 1 29 29 C H1' H 1 5.570 . . 1 . . . . . . . . 5632 1 468 . 1 1 29 29 C H2' H 1 4.412 . . 1 . . . . . . . . 5632 1 469 . 1 1 29 29 C H3' H 1 4.738 . . 1 . . . . . . . . 5632 1 470 . 1 1 29 29 C H4' H 1 4.400 . . 1 . . . . . . . . 5632 1 471 . 1 1 29 29 C H5' H 1 4.425 . . 2 . . . . . . . . 5632 1 472 . 1 1 29 29 C H5'' H 1 4.103 . . 2 . . . . . . . . 5632 1 473 . 1 1 29 29 C C1' C 13 91.402 . . 1 . . . . . . . . 5632 1 474 . 1 1 29 29 C C2' C 13 72.739 . . 1 . . . . . . . . 5632 1 475 . 1 1 29 29 C C3' C 13 72.851 . . 1 . . . . . . . . 5632 1 476 . 1 1 29 29 C C4' C 13 79.525 . . 1 . . . . . . . . 5632 1 477 . 1 1 29 29 C C5' C 13 61.932 . . 1 . . . . . . . . 5632 1 478 . 1 1 30 30 C H5 H 1 5.644 . . 1 . . . . . . . . 5632 1 479 . 1 1 30 30 C H6 H 1 7.737 . . 1 . . . . . . . . 5632 1 480 . 1 1 30 30 C C5 C 13 95.341 . . 1 . . . . . . . . 5632 1 481 . 1 1 30 30 C H1' H 1 5.668 . . 1 . . . . . . . . 5632 1 482 . 1 1 30 30 C H2' H 1 4.648 . . 1 . . . . . . . . 5632 1 483 . 1 1 30 30 C H3' H 1 4.577 . . 1 . . . . . . . . 5632 1 484 . 1 1 30 30 C H4' H 1 4.143 . . 1 . . . . . . . . 5632 1 485 . 1 1 30 30 C C1' C 13 90.282 . . 1 . . . . . . . . 5632 1 486 . 1 1 30 30 C C2' C 13 74.184 . . 1 . . . . . . . . 5632 1 487 . 1 1 30 30 C C3' C 13 73.160 . . 1 . . . . . . . . 5632 1 488 . 1 1 30 30 C C4' C 13 81.165 . . 1 . . . . . . . . 5632 1 stop_ save_