data_30132 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30132 _Entry.Title ; Solution structure of P2a-J2a/b-P2b of medaka telomerase RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-06 _Entry.Accession_date 2016-07-06 _Entry.Last_release_date 2016-08-22 _Entry.Original_release_date 2016-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Wang Y. . . . 30132 2 J. Feigon J. . . . 30132 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 30132 'Telomerase RNA TR Medaka P2ab' . 30132 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30132 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 30132 '15N chemical shifts' 37 30132 '1H chemical shifts' 272 30132 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-02-23 2016-07-06 update BMRB 'update entry citation' 30132 1 . . 2016-08-22 2016-07-06 original author 'original release' 30132 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KQE 'BMRB Entry Tracking System' 30132 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30132 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1607411113 _Citation.PubMed_ID 27531956 _Citation.Full_citation . _Citation.Title ; Structural conservation in the template/pseudoknot domain of vertebrate telomerase RNA from teleost fish to human ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 113 _Citation.Journal_issue 35 _Citation.Journal_ASTM PNASA6 _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0040 _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 E5125 _Citation.Page_last E5134 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Wang Y. . . . 30132 1 2 J. Yesselman J. D. . . 30132 1 3 Q. Zhang Q. . . . 30132 1 4 M. Kang M. . . . 30132 1 5 J. Feigon J. . . . 30132 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30132 _Assembly.ID 1 _Assembly.Name 'Telomerase RNA P2ab' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30132 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30132 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGUGUACUUAACGUUUGCU UCGGCAAACUACAUCC ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11464.795 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 30132 1 2 . G . 30132 1 3 . G . 30132 1 4 . U . 30132 1 5 . G . 30132 1 6 . U . 30132 1 7 . A . 30132 1 8 . C . 30132 1 9 . U . 30132 1 10 . U . 30132 1 11 . A . 30132 1 12 . A . 30132 1 13 . C . 30132 1 14 . G . 30132 1 15 . U . 30132 1 16 . U . 30132 1 17 . U . 30132 1 18 . G . 30132 1 19 . C . 30132 1 20 . U . 30132 1 21 . U . 30132 1 22 . C . 30132 1 23 . G . 30132 1 24 . G . 30132 1 25 . C . 30132 1 26 . A . 30132 1 27 . A . 30132 1 28 . A . 30132 1 29 . C . 30132 1 30 . U . 30132 1 31 . A . 30132 1 32 . C . 30132 1 33 . A . 30132 1 34 . U . 30132 1 35 . C . 30132 1 36 . C . 30132 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 30132 1 . G 2 2 30132 1 . G 3 3 30132 1 . U 4 4 30132 1 . G 5 5 30132 1 . U 6 6 30132 1 . A 7 7 30132 1 . C 8 8 30132 1 . U 9 9 30132 1 . U 10 10 30132 1 . A 11 11 30132 1 . A 12 12 30132 1 . C 13 13 30132 1 . G 14 14 30132 1 . U 15 15 30132 1 . U 16 16 30132 1 . U 17 17 30132 1 . G 18 18 30132 1 . C 19 19 30132 1 . U 20 20 30132 1 . U 21 21 30132 1 . C 22 22 30132 1 . G 23 23 30132 1 . G 24 24 30132 1 . C 25 25 30132 1 . A 26 26 30132 1 . A 27 27 30132 1 . A 28 28 30132 1 . C 29 29 30132 1 . U 30 30 30132 1 . A 31 31 30132 1 . C 32 32 30132 1 . A 33 33 30132 1 . U 34 34 30132 1 . C 35 35 30132 1 . C 36 36 30132 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 30132 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 8090 organism . 'Oryzias latipes' 'Japanese medaka' . . Eukaryota Metazoa Oryzias latipes . . . . . . . . . . . . . 30132 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 30132 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30132 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30132 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium phosphate, 100 mM potassium chloride, 1.0 mM [U-13C; U-15N] Telomerase RNA P2ab, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Telomerase RNA P2ab' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30132 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30132 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30132 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30132 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium phosphate, 100 mM potassium chloride, 1.0 mM Telomerase RNA P2ab, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Telomerase RNA P2ab' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 30132 2 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30132 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30132 2 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30132 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium phosphate, 100 mM potassium chloride, 1.0 mM Telomerase RNA P2ab, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Telomerase RNA P2ab' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 30132 3 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30132 3 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30132 3 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30132 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium phosphate, 100 mM potassium chloride, 1.0 mM [U-13C; U-15N] Telomerase RNA P2ab, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Telomerase RNA P2ab' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30132 4 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30132 4 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30132 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30132 _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' 100 . mM 30132 1 pH 6.4 . pH 30132 1 pressure 1 . atm 30132 1 temperature 283 . K 30132 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30132 _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' 100 . mM 30132 2 pH 6.4 . pH 30132 2 pressure 1 . atm 30132 2 temperature 298 . K 30132 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30132 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30132 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30132 1 'peak picking' 30132 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30132 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30132 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30132 2 processing 30132 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30132 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30132 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30132 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30132 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.42 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30132 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30132 4 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 30132 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30132 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30132 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30132 _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 . 800 . . . 30132 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 30132 1 3 NMR_spectrometer_3 Bruker DMX . 500 . . . 30132 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 30132 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30132 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30132 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30132 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30132 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30132 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30132 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30132 1 8 '2D filtered/edited NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30132 1 9 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30132 1 10 JNN-COSY no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30132 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30132 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30132 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30132 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30132 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30132 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H NOESY' . . . 30132 1 8 '2D filtered/edited NOESY' . . . 30132 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30132 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 12.792 0.01 . 1 . . . A 1 G H1 . 30132 1 2 . 1 1 1 1 G H1' H 1 5.823 0.13 . 1 . . . A 1 G H1' . 30132 1 3 . 1 1 1 1 G H2' H 1 4.962 0.02 . 1 . . . A 1 G H2' . 30132 1 4 . 1 1 1 1 G H3' H 1 4.804 0.01 . 1 . . . A 1 G H3' . 30132 1 5 . 1 1 1 1 G H4' H 1 4.583 0.01 . 1 . . . A 1 G H4' . 30132 1 6 . 1 1 1 1 G H8 H 1 8.178 0.11 . 1 . . . A 1 G H8 . 30132 1 7 . 1 1 1 1 G H21 H 1 6.988 0.01 . 1 . . . A 1 G H21 . 30132 1 8 . 1 1 1 1 G H22 H 1 8.619 0.01 . 1 . . . A 1 G H22 . 30132 1 9 . 1 1 1 1 G C1' C 13 91.84 0.28 . 1 . . . A 1 G C1' . 30132 1 10 . 1 1 1 1 G C2' C 13 75.274 0.13 . 1 . . . A 1 G C2' . 30132 1 11 . 1 1 1 1 G C3' C 13 74.677 0.37 . 1 . . . A 1 G C3' . 30132 1 12 . 1 1 1 1 G C4' C 13 83.57 0.24 . 1 . . . A 1 G C4' . 30132 1 13 . 1 1 1 1 G C8 C 13 139.62 0.03 . 1 . . . A 1 G C8 . 30132 1 14 . 1 1 1 1 G N1 N 15 142.995 0.03 . 1 . . . A 1 G N1 . 30132 1 15 . 1 1 2 2 G H1 H 1 12.957 0.02 . 1 . . . A 2 G H1 . 30132 1 16 . 1 1 2 2 G H1' H 1 5.999 0.02 . 1 . . . A 2 G H1' . 30132 1 17 . 1 1 2 2 G H2' H 1 4.668 0.01 . 1 . . . A 2 G H2' . 30132 1 18 . 1 1 2 2 G H3' H 1 4.617 0.03 . 1 . . . A 2 G H3' . 30132 1 19 . 1 1 2 2 G H4' H 1 4.607 0.02 . 1 . . . A 2 G H4' . 30132 1 20 . 1 1 2 2 G H5' H 1 4.313 0.01 . 1 . . . A 2 G H5' . 30132 1 21 . 1 1 2 2 G H5'' H 1 4.545 0.01 . 1 . . . A 2 G H5'' . 30132 1 22 . 1 1 2 2 G H8 H 1 7.696 0.01 . 1 . . . A 2 G H8 . 30132 1 23 . 1 1 2 2 G C1' C 13 92.88 0.14 . 1 . . . A 2 G C1' . 30132 1 24 . 1 1 2 2 G C2' C 13 76.088 0.11 . 1 . . . A 2 G C2' . 30132 1 25 . 1 1 2 2 G C3' C 13 73.418 0.09 . 1 . . . A 2 G C3' . 30132 1 26 . 1 1 2 2 G C4' C 13 82.541 0.22 . 1 . . . A 2 G C4' . 30132 1 27 . 1 1 2 2 G C5' C 13 66.938 0.02 . 1 . . . A 2 G C5' . 30132 1 28 . 1 1 2 2 G C8 C 13 137.596 0.03 . 1 . . . A 2 G C8 . 30132 1 29 . 1 1 2 2 G N1 N 15 142.932 0.08 . 1 . . . A 2 G N1 . 30132 1 30 . 1 1 3 3 G H1 H 1 11.567 0.02 . 1 . . . A 3 G H1 . 30132 1 31 . 1 1 3 3 G H1' H 1 5.856 0.01 . 1 . . . A 3 G H1' . 30132 1 32 . 1 1 3 3 G H2' H 1 4.714 0.02 . 1 . . . A 3 G H2' . 30132 1 33 . 1 1 3 3 G H3' H 1 4.361 0.01 . 1 . . . A 3 G H3' . 30132 1 34 . 1 1 3 3 G H4' H 1 4.551 0.01 . 1 . . . A 3 G H4' . 30132 1 35 . 1 1 3 3 G H5' H 1 4.518 0.05 . 1 . . . A 3 G H5' . 30132 1 36 . 1 1 3 3 G H5'' H 1 4.127 0.05 . 1 . . . A 3 G H5'' . 30132 1 37 . 1 1 3 3 G H8 H 1 7.246 0.01 . 1 . . . A 3 G H8 . 30132 1 38 . 1 1 3 3 G H21 H 1 6.482 0.04 . 1 . . . A 3 G H21 . 30132 1 39 . 1 1 3 3 G C1' C 13 93.774 0.04 . 1 . . . A 3 G C1' . 30132 1 40 . 1 1 3 3 G C2' C 13 75.716 0.03 . 1 . . . A 3 G C2' . 30132 1 41 . 1 1 3 3 G C3' C 13 73.402 0.03 . 1 . . . A 3 G C3' . 30132 1 42 . 1 1 3 3 G C4' C 13 84.057 0.03 . 1 . . . A 3 G C4' . 30132 1 43 . 1 1 3 3 G C8 C 13 137.357 0.03 . 1 . . . A 3 G C8 . 30132 1 44 . 1 1 3 3 G N1 N 15 139.612 0.04 . 1 . . . A 3 G N1 . 30132 1 45 . 1 1 4 4 U H1' H 1 5.561 0.01 . 1 . . . A 4 U H1' . 30132 1 46 . 1 1 4 4 U H2' H 1 4.584 0.02 . 1 . . . A 4 U H2' . 30132 1 47 . 1 1 4 4 U H3 H 1 13.696 0.02 . 1 . . . A 4 U H3 . 30132 1 48 . 1 1 4 4 U H3' H 1 4.613 0.03 . 1 . . . A 4 U H3' . 30132 1 49 . 1 1 4 4 U H4' H 1 4.475 0.01 . 1 . . . A 4 U H4' . 30132 1 50 . 1 1 4 4 U H5 H 1 5.337 0.01 . 1 . . . A 4 U H5 . 30132 1 51 . 1 1 4 4 U H5' H 1 4.429 0.17 . 1 . . . A 4 U H5' . 30132 1 52 . 1 1 4 4 U H6 H 1 7.667 0.01 . 1 . . . A 4 U H6 . 30132 1 53 . 1 1 4 4 U C1' C 13 94.011 0.03 . 1 . . . A 4 U C1' . 30132 1 54 . 1 1 4 4 U C2' C 13 72.53 0.11 . 1 . . . A 4 U C2' . 30132 1 55 . 1 1 4 4 U C3' C 13 75.746 0.01 . 1 . . . A 4 U C3' . 30132 1 56 . 1 1 4 4 U C4' C 13 82.456 0.01 . 1 . . . A 4 U C4' . 30132 1 57 . 1 1 4 4 U C5 C 13 104.095 0.01 . 1 . . . A 4 U C5 . 30132 1 58 . 1 1 4 4 U C6 C 13 140.865 0.05 . 1 . . . A 4 U C6 . 30132 1 59 . 1 1 4 4 U N3 N 15 157.239 0.1 . 1 . . . A 4 U N3 . 30132 1 60 . 1 1 5 5 G H1 H 1 12.568 0.01 . 1 . . . A 5 G H1 . 30132 1 61 . 1 1 5 5 G H1' H 1 5.808 0.01 . 1 . . . A 5 G H1' . 30132 1 62 . 1 1 5 5 G H2' H 1 4.584 0.02 . 1 . . . A 5 G H2' . 30132 1 63 . 1 1 5 5 G H3' H 1 4.529 0.01 . 1 . . . A 5 G H3' . 30132 1 64 . 1 1 5 5 G H4' H 1 4.522 0.01 . 1 . . . A 5 G H4' . 30132 1 65 . 1 1 5 5 G H8 H 1 7.715 0.01 . 1 . . . A 5 G H8 . 30132 1 66 . 1 1 5 5 G H21 H 1 6.136 0.01 . 1 . . . A 5 G H21 . 30132 1 67 . 1 1 5 5 G H22 H 1 8.069 0.01 . 1 . . . A 5 G H22 . 30132 1 68 . 1 1 5 5 G C1' C 13 93.123 0.24 . 1 . . . A 5 G C1' . 30132 1 69 . 1 1 5 5 G C2' C 13 73.044 0.21 . 1 . . . A 5 G C2' . 30132 1 70 . 1 1 5 5 G C3' C 13 75.694 0.21 . 1 . . . A 5 G C3' . 30132 1 71 . 1 1 5 5 G C4' C 13 82.291 0.18 . 1 . . . A 5 G C4' . 30132 1 72 . 1 1 5 5 G C8 C 13 136.783 0.02 . 1 . . . A 5 G C8 . 30132 1 73 . 1 1 5 5 G N1 N 15 142.089 0.04 . 1 . . . A 5 G N1 . 30132 1 74 . 1 1 6 6 U H1' H 1 5.508 0.01 . 1 . . . A 6 U H1' . 30132 1 75 . 1 1 6 6 U H2' H 1 4.504 0.01 . 1 . . . A 6 U H2' . 30132 1 76 . 1 1 6 6 U H3 H 1 13.527 0.01 . 1 . . . A 6 U H3 . 30132 1 77 . 1 1 6 6 U H3' H 1 4.532 0.01 . 1 . . . A 6 U H3' . 30132 1 78 . 1 1 6 6 U H4' H 1 4.459 0.01 . 1 . . . A 6 U H4' . 30132 1 79 . 1 1 6 6 U H5 H 1 5.169 0.01 . 1 . . . A 6 U H5 . 30132 1 80 . 1 1 6 6 U H5' H 1 4.123 0.05 . 1 . . . A 6 U H5' . 30132 1 81 . 1 1 6 6 U H6 H 1 7.64 0.01 . 1 . . . A 6 U H6 . 30132 1 82 . 1 1 6 6 U C1' C 13 93.845 0.04 . 1 . . . A 6 U C1' . 30132 1 83 . 1 1 6 6 U C2' C 13 72.947 0.02 . 1 . . . A 6 U C2' . 30132 1 84 . 1 1 6 6 U C3' C 13 75.85 0.01 . 1 . . . A 6 U C3' . 30132 1 85 . 1 1 6 6 U C4' C 13 82.723 0.05 . 1 . . . A 6 U C4' . 30132 1 86 . 1 1 6 6 U C5 C 13 103.61 0.03 . 1 . . . A 6 U C5 . 30132 1 87 . 1 1 6 6 U C6 C 13 141.508 0.03 . 1 . . . A 6 U C6 . 30132 1 88 . 1 1 6 6 U N3 N 15 156.554 0.08 . 1 . . . A 6 U N3 . 30132 1 89 . 1 1 7 7 A H1' H 1 5.763 0.31 . 1 . . . A 7 A H1' . 30132 1 90 . 1 1 7 7 A H2 H 1 7.065 0.04 . 1 . . . A 7 A H2 . 30132 1 91 . 1 1 7 7 A H2' H 1 4.399 0.01 . 1 . . . A 7 A H2' . 30132 1 92 . 1 1 7 7 A H3' H 1 4.483 0.01 . 1 . . . A 7 A H3' . 30132 1 93 . 1 1 7 7 A H4' H 1 4.528 0.09 . 1 . . . A 7 A H4' . 30132 1 94 . 1 1 7 7 A H5'' H 1 4.164 0.07 . 1 . . . A 7 A H5'' . 30132 1 95 . 1 1 7 7 A H8 H 1 7.98 0.01 . 1 . . . A 7 A H8 . 30132 1 96 . 1 1 7 7 A C1' C 13 93.078 0.05 . 1 . . . A 7 A C1' . 30132 1 97 . 1 1 7 7 A C2 C 13 154.041 0.08 . 1 . . . A 7 A C2 . 30132 1 98 . 1 1 7 7 A C2' C 13 76.218 0.04 . 1 . . . A 7 A C2' . 30132 1 99 . 1 1 7 7 A C3' C 13 73.779 0.02 . 1 . . . A 7 A C3' . 30132 1 100 . 1 1 7 7 A C4' C 13 83.321 0.08 . 1 . . . A 7 A C4' . 30132 1 101 . 1 1 7 7 A C8 C 13 140.035 0.1 . 1 . . . A 7 A C8 . 30132 1 102 . 1 1 7 7 A N1 N 15 219.222 0.03 . 1 . . . A 7 A N1 . 30132 1 103 . 1 1 7 7 A N3 N 15 209.376 0.08 . 1 . . . A 7 A N3 . 30132 1 104 . 1 1 8 8 C H1' H 1 5.311 0.04 . 1 . . . A 8 C H1' . 30132 1 105 . 1 1 8 8 C H2' H 1 3.984 0.01 . 1 . . . A 8 C H2' . 30132 1 106 . 1 1 8 8 C H3' H 1 4.305 0.03 . 1 . . . A 8 C H3' . 30132 1 107 . 1 1 8 8 C H4' H 1 4.154 0.01 . 1 . . . A 8 C H4' . 30132 1 108 . 1 1 8 8 C H5 H 1 5.353 0.02 . 1 . . . A 8 C H5 . 30132 1 109 . 1 1 8 8 C H5' H 1 3.975 0.01 . 1 . . . A 8 C H5' . 30132 1 110 . 1 1 8 8 C H5'' H 1 4.14 0.15 . 1 . . . A 8 C H5'' . 30132 1 111 . 1 1 8 8 C H6 H 1 7.348 0.02 . 1 . . . A 8 C H6 . 30132 1 112 . 1 1 8 8 C C1' C 13 93.134 0.08 . 1 . . . A 8 C C1' . 30132 1 113 . 1 1 8 8 C C2' C 13 76.258 0.03 . 1 . . . A 8 C C2' . 30132 1 114 . 1 1 8 8 C C3' C 13 74.215 0.03 . 1 . . . A 8 C C3' . 30132 1 115 . 1 1 8 8 C C4' C 13 83.39 0.05 . 1 . . . A 8 C C4' . 30132 1 116 . 1 1 8 8 C C5 C 13 97.819 0.1 . 1 . . . A 8 C C5 . 30132 1 117 . 1 1 8 8 C C6 C 13 141.944 0.1 . 1 . . . A 8 C C6 . 30132 1 118 . 1 1 9 9 U H1' H 1 5.719 0.03 . 1 . . . A 9 U H1' . 30132 1 119 . 1 1 9 9 U H2' H 1 4.481 0.01 . 1 . . . A 9 U H2' . 30132 1 120 . 1 1 9 9 U H3' H 1 4.579 0.01 . 1 . . . A 9 U H3' . 30132 1 121 . 1 1 9 9 U H4' H 1 4.545 0.01 . 1 . . . A 9 U H4' . 30132 1 122 . 1 1 9 9 U H5 H 1 5.578 0.04 . 1 . . . A 9 U H5 . 30132 1 123 . 1 1 9 9 U H5'' H 1 4.074 0.05 . 1 . . . A 9 U H5'' . 30132 1 124 . 1 1 9 9 U H6 H 1 7.587 0.02 . 1 . . . A 9 U H6 . 30132 1 125 . 1 1 9 9 U C1' C 13 94.195 0.02 . 1 . . . A 9 U C1' . 30132 1 126 . 1 1 9 9 U C2' C 13 77.015 0.03 . 1 . . . A 9 U C2' . 30132 1 127 . 1 1 9 9 U C3' C 13 73.136 0.02 . 1 . . . A 9 U C3' . 30132 1 128 . 1 1 9 9 U C4' C 13 82.631 0.01 . 1 . . . A 9 U C4' . 30132 1 129 . 1 1 9 9 U C5 C 13 105.431 0.07 . 1 . . . A 9 U C5 . 30132 1 130 . 1 1 9 9 U C6 C 13 143.442 0.08 . 1 . . . A 9 U C6 . 30132 1 131 . 1 1 10 10 U H1' H 1 5.699 0.01 . 1 . . . A 10 U H1' . 30132 1 132 . 1 1 10 10 U H2' H 1 4.179 0.01 . 1 . . . A 10 U H2' . 30132 1 133 . 1 1 10 10 U H3' H 1 4.469 0.01 . 1 . . . A 10 U H3' . 30132 1 134 . 1 1 10 10 U H4' H 1 4.213 0.01 . 1 . . . A 10 U H4' . 30132 1 135 . 1 1 10 10 U H5 H 1 5.734 0.02 . 1 . . . A 10 U H5 . 30132 1 136 . 1 1 10 10 U H5' H 1 3.974 0.05 . 1 . . . A 10 U H5' . 30132 1 137 . 1 1 10 10 U H5'' H 1 3.954 0.01 . 1 . . . A 10 U H5'' . 30132 1 138 . 1 1 10 10 U H6 H 1 7.588 0.01 . 1 . . . A 10 U H6 . 30132 1 139 . 1 1 10 10 U C1' C 13 91.215 0.07 . 1 . . . A 10 U C1' . 30132 1 140 . 1 1 10 10 U C2' C 13 75.675 0.03 . 1 . . . A 10 U C2' . 30132 1 141 . 1 1 10 10 U C3' C 13 77.112 0.03 . 1 . . . A 10 U C3' . 30132 1 142 . 1 1 10 10 U C4' C 13 84.962 0.03 . 1 . . . A 10 U C4' . 30132 1 143 . 1 1 10 10 U C5 C 13 105.721 0.03 . 1 . . . A 10 U C5 . 30132 1 144 . 1 1 10 10 U C5' C 13 68.061 0.02 . 1 . . . A 10 U C5' . 30132 1 145 . 1 1 10 10 U C6 C 13 144.071 0.03 . 1 . . . A 10 U C6 . 30132 1 146 . 1 1 11 11 A H1' H 1 5.636 0.42 . 1 . . . A 11 A H1' . 30132 1 147 . 1 1 11 11 A H2 H 1 7.891 0.02 . 1 . . . A 11 A H2 . 30132 1 148 . 1 1 11 11 A H2' H 1 4.768 0.31 . 1 . . . A 11 A H2' . 30132 1 149 . 1 1 11 11 A H3' H 1 5.039 0.43 . 1 . . . A 11 A H3' . 30132 1 150 . 1 1 11 11 A H4' H 1 4.588 0.4 . 1 . . . A 11 A H4' . 30132 1 151 . 1 1 11 11 A H5'' H 1 4.225 0.44 . 1 . . . A 11 A H5'' . 30132 1 152 . 1 1 11 11 A H8 H 1 8.181 0.01 . 1 . . . A 11 A H8 . 30132 1 153 . 1 1 11 11 A C1' C 13 90.77 0.08 . 1 . . . A 11 A C1' . 30132 1 154 . 1 1 11 11 A C2 C 13 154.99 0.03 . 1 . . . A 11 A C2 . 30132 1 155 . 1 1 11 11 A C2' C 13 76.6 0.07 . 1 . . . A 11 A C2' . 30132 1 156 . 1 1 11 11 A C3' C 13 76.544 0.06 . 1 . . . A 11 A C3' . 30132 1 157 . 1 1 11 11 A C4' C 13 85.078 0.06 . 1 . . . A 11 A C4' . 30132 1 158 . 1 1 11 11 A C5' C 13 67.683 0.37 . 1 . . . A 11 A C5' . 30132 1 159 . 1 1 11 11 A C8 C 13 142.382 0.06 . 1 . . . A 11 A C8 . 30132 1 160 . 1 1 11 11 A N1 N 15 211.578 0.03 . 1 . . . A 11 A N1 . 30132 1 161 . 1 1 12 12 A H1' H 1 5.687 0.34 . 1 . . . A 12 A H1' . 30132 1 162 . 1 1 12 12 A H2 H 1 7.921 0.01 . 1 . . . A 12 A H2 . 30132 1 163 . 1 1 12 12 A H2' H 1 4.71 0.28 . 1 . . . A 12 A H2' . 30132 1 164 . 1 1 12 12 A H3' H 1 4.637 0.26 . 1 . . . A 12 A H3' . 30132 1 165 . 1 1 12 12 A H4' H 1 4.379 0.08 . 1 . . . A 12 A H4' . 30132 1 166 . 1 1 12 12 A H8 H 1 8.119 0.02 . 1 . . . A 12 A H8 . 30132 1 167 . 1 1 12 12 A C1' C 13 90.893 0.08 . 1 . . . A 12 A C1' . 30132 1 168 . 1 1 12 12 A C2 C 13 155.158 0.03 . 1 . . . A 12 A C2 . 30132 1 169 . 1 1 12 12 A C2' C 13 76.38 0.43 . 1 . . . A 12 A C2' . 30132 1 170 . 1 1 12 12 A C3' C 13 76.207 0.24 . 1 . . . A 12 A C3' . 30132 1 171 . 1 1 12 12 A C8 C 13 141.418 0.13 . 1 . . . A 12 A C8 . 30132 1 172 . 1 1 12 12 A N1 N 15 219.293 0.03 . 1 . . . A 12 A N1 . 30132 1 173 . 1 1 12 12 A N3 N 15 210.194 0.08 . 1 . . . A 12 A N3 . 30132 1 174 . 1 1 13 13 C H1' H 1 5.824 0.03 . 1 . . . A 13 C H1' . 30132 1 175 . 1 1 13 13 C H2' H 1 4.48 0.01 . 1 . . . A 13 C H2' . 30132 1 176 . 1 1 13 13 C H3' H 1 4.543 0.03 . 1 . . . A 13 C H3' . 30132 1 177 . 1 1 13 13 C H5 H 1 5.663 0.03 . 1 . . . A 13 C H5 . 30132 1 178 . 1 1 13 13 C H5' H 1 4.414 0.05 . 1 . . . A 13 C H5' . 30132 1 179 . 1 1 13 13 C H5'' H 1 4.232 0.05 . 1 . . . A 13 C H5'' . 30132 1 180 . 1 1 13 13 C H6 H 1 7.686 0.03 . 1 . . . A 13 C H6 . 30132 1 181 . 1 1 13 13 C C1' C 13 92.625 0.1 . 1 . . . A 13 C C1' . 30132 1 182 . 1 1 13 13 C C5 C 13 98.933 0.09 . 1 . . . A 13 C C5 . 30132 1 183 . 1 1 13 13 C C6 C 13 142.923 0.2 . 1 . . . A 13 C C6 . 30132 1 184 . 1 1 14 14 G H1 H 1 13.152 0.02 . 1 . . . A 14 G H1 . 30132 1 185 . 1 1 14 14 G H1' H 1 5.657 0.33 . 1 . . . A 14 G H1' . 30132 1 186 . 1 1 14 14 G H2' H 1 4.667 0.01 . 1 . . . A 14 G H2' . 30132 1 187 . 1 1 14 14 G H3' H 1 4.538 0.01 . 1 . . . A 14 G H3' . 30132 1 188 . 1 1 14 14 G H4' H 1 4.541 0.01 . 1 . . . A 14 G H4' . 30132 1 189 . 1 1 14 14 G H5' H 1 4.412 0.05 . 1 . . . A 14 G H5' . 30132 1 190 . 1 1 14 14 G H5'' H 1 4.219 0.01 . 1 . . . A 14 G H5'' . 30132 1 191 . 1 1 14 14 G H8 H 1 7.777 0.02 . 1 . . . A 14 G H8 . 30132 1 192 . 1 1 14 14 G C1' C 13 93.102 0.18 . 1 . . . A 14 G C1' . 30132 1 193 . 1 1 14 14 G C2' C 13 75.101 0.14 . 1 . . . A 14 G C2' . 30132 1 194 . 1 1 14 14 G C3' C 13 74.166 0.19 . 1 . . . A 14 G C3' . 30132 1 195 . 1 1 14 14 G C4' C 13 83.309 0.14 . 1 . . . A 14 G C4' . 30132 1 196 . 1 1 14 14 G C8 C 13 138.236 0.04 . 1 . . . A 14 G C8 . 30132 1 197 . 1 1 14 14 G N1 N 15 142.829 0.1 . 1 . . . A 14 G N1 . 30132 1 198 . 1 1 15 15 U H1' H 1 5.669 0.01 . 1 . . . A 15 U H1' . 30132 1 199 . 1 1 15 15 U H2' H 1 4.579 0.01 . 1 . . . A 15 U H2' . 30132 1 200 . 1 1 15 15 U H3 H 1 14.465 0.01 . 1 . . . A 15 U H3 . 30132 1 201 . 1 1 15 15 U H4' H 1 4.196 0.05 . 1 . . . A 15 U H4' . 30132 1 202 . 1 1 15 15 U H5 H 1 5.193 0.01 . 1 . . . A 15 U H5 . 30132 1 203 . 1 1 15 15 U H6 H 1 7.933 0.01 . 1 . . . A 15 U H6 . 30132 1 204 . 1 1 15 15 U C1' C 13 94.396 0.04 . 1 . . . A 15 U C1' . 30132 1 205 . 1 1 15 15 U C2' C 13 75.648 0.01 . 1 . . . A 15 U C2' . 30132 1 206 . 1 1 15 15 U C5 C 13 103.017 0.05 . 1 . . . A 15 U C5 . 30132 1 207 . 1 1 15 15 U C6 C 13 142.772 0.04 . 1 . . . A 15 U C6 . 30132 1 208 . 1 1 15 15 U N3 N 15 157.51 0.09 . 1 . . . A 15 U N3 . 30132 1 209 . 1 1 16 16 U H1' H 1 5.729 0.01 . 1 . . . A 16 U H1' . 30132 1 210 . 1 1 16 16 U H2' H 1 4.182 0.01 . 1 . . . A 16 U H2' . 30132 1 211 . 1 1 16 16 U H3' H 1 4.475 0.01 . 1 . . . A 16 U H3' . 30132 1 212 . 1 1 16 16 U H4' H 1 4.221 0.01 . 1 . . . A 16 U H4' . 30132 1 213 . 1 1 16 16 U H5 H 1 5.674 0.01 . 1 . . . A 16 U H5 . 30132 1 214 . 1 1 16 16 U H5' H 1 3.979 0.08 . 1 . . . A 16 U H5' . 30132 1 215 . 1 1 16 16 U H6 H 1 8.029 0.1 . 1 . . . A 16 U H6 . 30132 1 216 . 1 1 16 16 U C1' C 13 90.986 0.13 . 1 . . . A 16 U C1' . 30132 1 217 . 1 1 16 16 U C2' C 13 76.045 0.02 . 1 . . . A 16 U C2' . 30132 1 218 . 1 1 16 16 U C3' C 13 76.987 0.02 . 1 . . . A 16 U C3' . 30132 1 219 . 1 1 16 16 U C4' C 13 85.038 0.02 . 1 . . . A 16 U C4' . 30132 1 220 . 1 1 16 16 U C5 C 13 103.921 0.06 . 1 . . . A 16 U C5 . 30132 1 221 . 1 1 16 16 U C5' C 13 67.523 0.02 . 1 . . . A 16 U C5' . 30132 1 222 . 1 1 16 16 U C6 C 13 142.885 0.05 . 1 . . . A 16 U C6 . 30132 1 223 . 1 1 16 16 U N3 N 15 157.534 0.11 . 1 . . . A 16 U N3 . 30132 1 224 . 1 1 17 17 U H1' H 1 5.64 0.01 . 1 . . . A 17 U H1' . 30132 1 225 . 1 1 17 17 U H2' H 1 4.542 0.01 . 1 . . . A 17 U H2' . 30132 1 226 . 1 1 17 17 U H3 H 1 13.142 0.02 . 1 . . . A 17 U H3 . 30132 1 227 . 1 1 17 17 U H3' H 1 4.639 0.03 . 1 . . . A 17 U H3' . 30132 1 228 . 1 1 17 17 U H4' H 1 4.452 0.06 . 1 . . . A 17 U H4' . 30132 1 229 . 1 1 17 17 U H5 H 1 5.642 0.01 . 1 . . . A 17 U H5 . 30132 1 230 . 1 1 17 17 U H6 H 1 8.01 0.01 . 1 . . . A 17 U H6 . 30132 1 231 . 1 1 17 17 U C1' C 13 93.656 0.06 . 1 . . . A 17 U C1' . 30132 1 232 . 1 1 17 17 U C2' C 13 73.423 0.04 . 1 . . . A 17 U C2' . 30132 1 233 . 1 1 17 17 U C3' C 13 73.047 0.03 . 1 . . . A 17 U C3' . 30132 1 234 . 1 1 17 17 U C4' C 13 82.713 0.14 . 1 . . . A 17 U C4' . 30132 1 235 . 1 1 17 17 U C5 C 13 104.302 0.03 . 1 . . . A 17 U C5 . 30132 1 236 . 1 1 17 17 U C6 C 13 142.453 0.06 . 1 . . . A 17 U C6 . 30132 1 237 . 1 1 17 17 U N3 N 15 157.101 0.08 . 1 . . . A 17 U N3 . 30132 1 238 . 1 1 18 18 G H1 H 1 12.529 0.01 . 1 . . . A 18 G H1 . 30132 1 239 . 1 1 18 18 G H1' H 1 5.803 0.01 . 1 . . . A 18 G H1' . 30132 1 240 . 1 1 18 18 G H2' H 1 4.523 0.02 . 1 . . . A 18 G H2' . 30132 1 241 . 1 1 18 18 G H3' H 1 4.597 0.01 . 1 . . . A 18 G H3' . 30132 1 242 . 1 1 18 18 G H4' H 1 4.52 0.01 . 1 . . . A 18 G H4' . 30132 1 243 . 1 1 18 18 G H5' H 1 4.166 0.01 . 1 . . . A 18 G H5' . 30132 1 244 . 1 1 18 18 G H8 H 1 7.804 0.02 . 1 . . . A 18 G H8 . 30132 1 245 . 1 1 18 18 G H21 H 1 6.454 0.02 . 1 . . . A 18 G H21 . 30132 1 246 . 1 1 18 18 G H22 H 1 5.93 0.02 . 1 . . . A 18 G H22 . 30132 1 247 . 1 1 18 18 G C1' C 13 92.726 0.18 . 1 . . . A 18 G C1' . 30132 1 248 . 1 1 18 18 G C2' C 13 75.704 0.2 . 1 . . . A 18 G C2' . 30132 1 249 . 1 1 18 18 G C3' C 13 72.982 0.21 . 1 . . . A 18 G C3' . 30132 1 250 . 1 1 18 18 G C4' C 13 82.291 0.16 . 1 . . . A 18 G C4' . 30132 1 251 . 1 1 18 18 G C8 C 13 136.804 0.04 . 1 . . . A 18 G C8 . 30132 1 252 . 1 1 18 18 G N1 N 15 142.178 0.04 . 1 . . . A 18 G N1 . 30132 1 253 . 1 1 19 19 C H1' H 1 5.444 0.01 . 1 . . . A 19 C H1' . 30132 1 254 . 1 1 19 19 C H2' H 1 4.452 0.01 . 1 . . . A 19 C H2' . 30132 1 255 . 1 1 19 19 C H3' H 1 4.252 0.03 . 1 . . . A 19 C H3' . 30132 1 256 . 1 1 19 19 C H4' H 1 4.444 0.01 . 1 . . . A 19 C H4' . 30132 1 257 . 1 1 19 19 C H5 H 1 5.218 0.04 . 1 . . . A 19 C H5 . 30132 1 258 . 1 1 19 19 C H5' H 1 4.084 0.05 . 1 . . . A 19 C H5' . 30132 1 259 . 1 1 19 19 C H6 H 1 7.459 0.01 . 1 . . . A 19 C H6 . 30132 1 260 . 1 1 19 19 C H41 H 1 7.249 0.55 . 1 . . . A 19 C H41 . 30132 1 261 . 1 1 19 19 C H42 H 1 8.422 0.4 . 1 . . . A 19 C H42 . 30132 1 262 . 1 1 19 19 C C1' C 13 94.166 0.03 . 1 . . . A 19 C C1' . 30132 1 263 . 1 1 19 19 C C2' C 13 75.758 0.03 . 1 . . . A 19 C C2' . 30132 1 264 . 1 1 19 19 C C3' C 13 72.171 0.03 . 1 . . . A 19 C C3' . 30132 1 265 . 1 1 19 19 C C4' C 13 82.285 0.03 . 1 . . . A 19 C C4' . 30132 1 266 . 1 1 19 19 C C5 C 13 97.727 0.03 . 1 . . . A 19 C C5 . 30132 1 267 . 1 1 19 19 C C6 C 13 140.782 0.05 . 1 . . . A 19 C C6 . 30132 1 268 . 1 1 20 20 U H1' H 1 5.663 0.01 . 1 . . . A 20 U H1' . 30132 1 269 . 1 1 20 20 U H2' H 1 3.798 0.02 . 1 . . . A 20 U H2' . 30132 1 270 . 1 1 20 20 U H3 H 1 11.753 0.01 . 1 . . . A 20 U H3 . 30132 1 271 . 1 1 20 20 U H3' H 1 4.501 0.18 . 1 . . . A 20 U H3' . 30132 1 272 . 1 1 20 20 U H4' H 1 4.381 0.05 . 1 . . . A 20 U H4' . 30132 1 273 . 1 1 20 20 U H5 H 1 5.743 0.01 . 1 . . . A 20 U H5 . 30132 1 274 . 1 1 20 20 U H5' H 1 4.26 0.05 . 1 . . . A 20 U H5' . 30132 1 275 . 1 1 20 20 U H6 H 1 7.768 0.01 . 1 . . . A 20 U H6 . 30132 1 276 . 1 1 20 20 U C1' C 13 94.875 0.05 . 1 . . . A 20 U C1' . 30132 1 277 . 1 1 20 20 U C2' C 13 76.388 0.02 . 1 . . . A 20 U C2' . 30132 1 278 . 1 1 20 20 U C3' C 13 73.495 0.01 . 1 . . . A 20 U C3' . 30132 1 279 . 1 1 20 20 U C4' C 13 82.858 0.03 . 1 . . . A 20 U C4' . 30132 1 280 . 1 1 20 20 U C5 C 13 105.534 0.01 . 1 . . . A 20 U C5 . 30132 1 281 . 1 1 20 20 U C6 C 13 141.023 0.03 . 1 . . . A 20 U C6 . 30132 1 282 . 1 1 20 20 U HO2' H 1 6.686 0.01 . 1 . . . A 20 U HO2' . 30132 1 283 . 1 1 21 21 U H1' H 1 6.034 0.42 . 1 . . . A 21 U H1' . 30132 1 284 . 1 1 21 21 U H2' H 1 4.686 0.01 . 1 . . . A 21 U H2' . 30132 1 285 . 1 1 21 21 U H3' H 1 4.158 0.46 . 1 . . . A 21 U H3' . 30132 1 286 . 1 1 21 21 U H4' H 1 4.507 0.05 . 1 . . . A 21 U H4' . 30132 1 287 . 1 1 21 21 U H5 H 1 5.877 0.01 . 1 . . . A 21 U H5 . 30132 1 288 . 1 1 21 21 U H5' H 1 4.34 0.52 . 1 . . . A 21 U H5' . 30132 1 289 . 1 1 21 21 U H5'' H 1 4.182 0.1 . 1 . . . A 21 U H5'' . 30132 1 290 . 1 1 21 21 U H6 H 1 8.035 0.01 . 1 . . . A 21 U H6 . 30132 1 291 . 1 1 21 21 U C1' C 13 89.619 0.06 . 1 . . . A 21 U C1' . 30132 1 292 . 1 1 21 21 U C2' C 13 74.909 0.03 . 1 . . . A 21 U C2' . 30132 1 293 . 1 1 21 21 U C4' C 13 87.216 0.01 . 1 . . . A 21 U C4' . 30132 1 294 . 1 1 21 21 U C5 C 13 105.925 0.02 . 1 . . . A 21 U C5 . 30132 1 295 . 1 1 21 21 U C5' C 13 68.1 0.02 . 1 . . . A 21 U C5' . 30132 1 296 . 1 1 21 21 U C6 C 13 145.097 0.01 . 1 . . . A 21 U C6 . 30132 1 297 . 1 1 22 22 C H1' H 1 5.93 0.33 . 1 . . . A 22 C H1' . 30132 1 298 . 1 1 22 22 C H2' H 1 4.124 0.01 . 1 . . . A 22 C H2' . 30132 1 299 . 1 1 22 22 C H3' H 1 4.512 0.03 . 1 . . . A 22 C H3' . 30132 1 300 . 1 1 22 22 C H4' H 1 3.827 0.05 . 1 . . . A 22 C H4' . 30132 1 301 . 1 1 22 22 C H5 H 1 6.147 0.01 . 1 . . . A 22 C H5 . 30132 1 302 . 1 1 22 22 C H5' H 1 3.438 0.37 . 1 . . . A 22 C H5' . 30132 1 303 . 1 1 22 22 C H6 H 1 7.715 0.01 . 1 . . . A 22 C H6 . 30132 1 304 . 1 1 22 22 C H41 H 1 6.39 0.03 . 1 . . . A 22 C H41 . 30132 1 305 . 1 1 22 22 C H42 H 1 7.163 0.01 . 1 . . . A 22 C H42 . 30132 1 306 . 1 1 22 22 C C1' C 13 89.497 0.04 . 1 . . . A 22 C C1' . 30132 1 307 . 1 1 22 22 C C2' C 13 77.927 0.03 . 1 . . . A 22 C C2' . 30132 1 308 . 1 1 22 22 C C3' C 13 80.679 0.03 . 1 . . . A 22 C C3' . 30132 1 309 . 1 1 22 22 C C4' C 13 84.808 0.03 . 1 . . . A 22 C C4' . 30132 1 310 . 1 1 22 22 C C5 C 13 99.043 0.01 . 1 . . . A 22 C C5 . 30132 1 311 . 1 1 22 22 C C6 C 13 143.25 0.02 . 1 . . . A 22 C C6 . 30132 1 312 . 1 1 23 23 G H1 H 1 9.912 0.01 . 1 . . . A 23 G H1 . 30132 1 313 . 1 1 23 23 G H1' H 1 5.988 0.01 . 1 . . . A 23 G H1' . 30132 1 314 . 1 1 23 23 G H2' H 1 4.857 0.01 . 1 . . . A 23 G H2' . 30132 1 315 . 1 1 23 23 G H3' H 1 5.655 0.01 . 1 . . . A 23 G H3' . 30132 1 316 . 1 1 23 23 G H4' H 1 4.438 0.05 . 1 . . . A 23 G H4' . 30132 1 317 . 1 1 23 23 G H5' H 1 4.223 0.01 . 1 . . . A 23 G H5' . 30132 1 318 . 1 1 23 23 G H8 H 1 7.905 0.08 . 1 . . . A 23 G H8 . 30132 1 319 . 1 1 23 23 G C1' C 13 94.809 0.18 . 1 . . . A 23 G C1' . 30132 1 320 . 1 1 23 23 G C2' C 13 77.492 0.21 . 1 . . . A 23 G C2' . 30132 1 321 . 1 1 23 23 G C3' C 13 76.017 0.22 . 1 . . . A 23 G C3' . 30132 1 322 . 1 1 23 23 G C4' C 13 83.434 0.18 . 1 . . . A 23 G C4' . 30132 1 323 . 1 1 23 23 G C5' C 13 69.106 0.02 . 1 . . . A 23 G C5' . 30132 1 324 . 1 1 23 23 G C8 C 13 143.477 0.03 . 1 . . . A 23 G C8 . 30132 1 325 . 1 1 23 23 G N1 N 15 138.099 0.02 . 1 . . . A 23 G N1 . 30132 1 326 . 1 1 24 24 G H1 H 1 13.389 0.01 . 1 . . . A 24 G H1 . 30132 1 327 . 1 1 24 24 G H1' H 1 4.616 0.37 . 1 . . . A 24 G H1' . 30132 1 328 . 1 1 24 24 G H2' H 1 4.445 0.02 . 1 . . . A 24 G H2' . 30132 1 329 . 1 1 24 24 G H3' H 1 4.3 0.01 . 1 . . . A 24 G H3' . 30132 1 330 . 1 1 24 24 G H4' H 1 4.438 0.05 . 1 . . . A 24 G H4' . 30132 1 331 . 1 1 24 24 G H8 H 1 8.333 0.01 . 1 . . . A 24 G H8 . 30132 1 332 . 1 1 24 24 G H21 H 1 6.459 0.01 . 1 . . . A 24 G H21 . 30132 1 333 . 1 1 24 24 G H22 H 1 8.777 0.01 . 1 . . . A 24 G H22 . 30132 1 334 . 1 1 24 24 G C1' C 13 93.561 0.17 . 1 . . . A 24 G C1' . 30132 1 335 . 1 1 24 24 G C8 C 13 139.381 0.03 . 1 . . . A 24 G C8 . 30132 1 336 . 1 1 24 24 G N1 N 15 143.046 0.05 . 1 . . . A 24 G N1 . 30132 1 337 . 1 1 25 25 C H1' H 1 5.511 0.01 . 1 . . . A 25 C H1' . 30132 1 338 . 1 1 25 25 C H2' H 1 4.607 0.02 . 1 . . . A 25 C H2' . 30132 1 339 . 1 1 25 25 C H3' H 1 4.562 0.01 . 1 . . . A 25 C H3' . 30132 1 340 . 1 1 25 25 C H4' H 1 4.413 0.01 . 1 . . . A 25 C H4' . 30132 1 341 . 1 1 25 25 C H5 H 1 5.306 0.01 . 1 . . . A 25 C H5 . 30132 1 342 . 1 1 25 25 C H6 H 1 7.614 0.47 . 1 . . . A 25 C H6 . 30132 1 343 . 1 1 25 25 C H41 H 1 6.901 0.03 . 1 . . . A 25 C H41 . 30132 1 344 . 1 1 25 25 C H42 H 1 8.626 0.01 . 1 . . . A 25 C H42 . 30132 1 345 . 1 1 25 25 C C1' C 13 94.302 0.01 . 1 . . . A 25 C C1' . 30132 1 346 . 1 1 25 25 C C2' C 13 75.675 0.03 . 1 . . . A 25 C C2' . 30132 1 347 . 1 1 25 25 C C3' C 13 72.338 0.03 . 1 . . . A 25 C C3' . 30132 1 348 . 1 1 25 25 C C4' C 13 82.16 0.05 . 1 . . . A 25 C C4' . 30132 1 349 . 1 1 25 25 C C5 C 13 97.716 0.05 . 1 . . . A 25 C C5 . 30132 1 350 . 1 1 25 25 C C6 C 13 141.449 0.01 . 1 . . . A 25 C C6 . 30132 1 351 . 1 1 25 25 C N4 N 15 92.203 0.05 . 1 . . . A 25 C N4 . 30132 1 352 . 1 1 26 26 A H1' H 1 5.845 0.31 . 1 . . . A 26 A H1' . 30132 1 353 . 1 1 26 26 A H2 H 1 6.682 0.02 . 1 . . . A 26 A H2 . 30132 1 354 . 1 1 26 26 A H2' H 1 4.739 0.36 . 1 . . . A 26 A H2' . 30132 1 355 . 1 1 26 26 A H3' H 1 4.856 0.32 . 1 . . . A 26 A H3' . 30132 1 356 . 1 1 26 26 A H4' H 1 4.768 0.52 . 1 . . . A 26 A H4' . 30132 1 357 . 1 1 26 26 A H8 H 1 7.992 0.07 . 1 . . . A 26 A H8 . 30132 1 358 . 1 1 26 26 A C1' C 13 93.519 0.03 . 1 . . . A 26 A C1' . 30132 1 359 . 1 1 26 26 A C2 C 13 152.475 0.03 . 1 . . . A 26 A C2 . 30132 1 360 . 1 1 26 26 A C2' C 13 76.123 0.01 . 1 . . . A 26 A C2' . 30132 1 361 . 1 1 26 26 A C3' C 13 73.294 0.04 . 1 . . . A 26 A C3' . 30132 1 362 . 1 1 26 26 A C4' C 13 82.502 0.05 . 1 . . . A 26 A C4' . 30132 1 363 . 1 1 26 26 A C8 C 13 139.99 0.01 . 1 . . . A 26 A C8 . 30132 1 364 . 1 1 26 26 A N1 N 15 215.21 0.02 . 1 . . . A 26 A N1 . 30132 1 365 . 1 1 26 26 A N3 N 15 207.977 0.08 . 1 . . . A 26 A N3 . 30132 1 366 . 1 1 26 26 A N6 N 15 78.137 0.01 . 1 . . . A 26 A N6 . 30132 1 367 . 1 1 27 27 A H1' H 1 5.817 0.01 . 1 . . . A 27 A H1' . 30132 1 368 . 1 1 27 27 A H2 H 1 7.168 0.02 . 1 . . . A 27 A H2 . 30132 1 369 . 1 1 27 27 A H2' H 1 4.522 0.01 . 1 . . . A 27 A H2' . 30132 1 370 . 1 1 27 27 A H3' H 1 4.683 0.01 . 1 . . . A 27 A H3' . 30132 1 371 . 1 1 27 27 A H4' H 1 4.533 0.01 . 1 . . . A 27 A H4' . 30132 1 372 . 1 1 27 27 A H8 H 1 7.755 0.01 . 1 . . . A 27 A H8 . 30132 1 373 . 1 1 27 27 A C1' C 13 93.184 0.02 . 1 . . . A 27 A C1' . 30132 1 374 . 1 1 27 27 A C2 C 13 153.252 0.02 . 1 . . . A 27 A C2 . 30132 1 375 . 1 1 27 27 A C2' C 13 76.003 0.12 . 1 . . . A 27 A C2' . 30132 1 376 . 1 1 27 27 A C3' C 13 73.2 0.01 . 1 . . . A 27 A C3' . 30132 1 377 . 1 1 27 27 A C4' C 13 82.498 0.05 . 1 . . . A 27 A C4' . 30132 1 378 . 1 1 27 27 A C8 C 13 139.661 0.02 . 1 . . . A 27 A C8 . 30132 1 379 . 1 1 27 27 A N1 N 15 215.207 0.03 . 1 . . . A 27 A N1 . 30132 1 380 . 1 1 27 27 A N3 N 15 206.244 0.08 . 1 . . . A 27 A N3 . 30132 1 381 . 1 1 27 27 A N6 N 15 79.26 0.08 . 1 . . . A 27 A N6 . 30132 1 382 . 1 1 28 28 A H1' H 1 5.841 0.3 . 1 . . . A 28 A H1' . 30132 1 383 . 1 1 28 28 A H2 H 1 7.815 0.01 . 1 . . . A 28 A H2 . 30132 1 384 . 1 1 28 28 A H2' H 1 4.552 0.34 . 1 . . . A 28 A H2' . 30132 1 385 . 1 1 28 28 A H3' H 1 4.671 0.31 . 1 . . . A 28 A H3' . 30132 1 386 . 1 1 28 28 A H8 H 1 7.783 0.03 . 1 . . . A 28 A H8 . 30132 1 387 . 1 1 28 28 A H61 H 1 6.813 0.01 . 1 . . . A 28 A H61 . 30132 1 388 . 1 1 28 28 A H62 H 1 8.209 0.01 . 1 . . . A 28 A H62 . 30132 1 389 . 1 1 28 28 A C1' C 13 93.263 0.07 . 1 . . . A 28 A C1' . 30132 1 390 . 1 1 28 28 A C2 C 13 154.349 0.01 . 1 . . . A 28 A C2 . 30132 1 391 . 1 1 28 28 A C2' C 13 76.023 0.08 . 1 . . . A 28 A C2' . 30132 1 392 . 1 1 28 28 A C3' C 13 72.837 0.02 . 1 . . . A 28 A C3' . 30132 1 393 . 1 1 28 28 A C4' C 13 82.485 0.03 . 1 . . . A 28 A C4' . 30132 1 394 . 1 1 28 28 A C8 C 13 139.466 0.03 . 1 . . . A 28 A C8 . 30132 1 395 . 1 1 28 28 A N1 N 15 216.552 0.03 . 1 . . . A 28 A N1 . 30132 1 396 . 1 1 28 28 A N3 N 15 206.5 0.08 . 1 . . . A 28 A N3 . 30132 1 397 . 1 1 29 29 C H1' H 1 5.521 0.01 . 1 . . . A 29 C H1' . 30132 1 398 . 1 1 29 29 C H2' H 1 4.231 0.01 . 1 . . . A 29 C H2' . 30132 1 399 . 1 1 29 29 C H3' H 1 4.424 0.01 . 1 . . . A 29 C H3' . 30132 1 400 . 1 1 29 29 C H4' H 1 4.421 0.01 . 1 . . . A 29 C H4' . 30132 1 401 . 1 1 29 29 C H5 H 1 5.19 0.01 . 1 . . . A 29 C H5 . 30132 1 402 . 1 1 29 29 C H6 H 1 7.325 0.01 . 1 . . . A 29 C H6 . 30132 1 403 . 1 1 29 29 C H41 H 1 7.049 0.04 . 1 . . . A 29 C H41 . 30132 1 404 . 1 1 29 29 C H42 H 1 8.262 0.01 . 1 . . . A 29 C H42 . 30132 1 405 . 1 1 29 29 C C1' C 13 93.671 0.08 . 1 . . . A 29 C C1' . 30132 1 406 . 1 1 29 29 C C2' C 13 76.279 0.03 . 1 . . . A 29 C C2' . 30132 1 407 . 1 1 29 29 C C3' C 13 73.735 0.03 . 1 . . . A 29 C C3' . 30132 1 408 . 1 1 29 29 C C4' C 13 83.014 0.03 . 1 . . . A 29 C C4' . 30132 1 409 . 1 1 29 29 C C5 C 13 98.194 0.03 . 1 . . . A 29 C C5 . 30132 1 410 . 1 1 29 29 C C6 C 13 141.037 0.06 . 1 . . . A 29 C C6 . 30132 1 411 . 1 1 29 29 C N4 N 15 93.049 0.03 . 1 . . . A 29 C N4 . 30132 1 412 . 1 1 30 30 U H1' H 1 5.833 0.16 . 1 . . . A 30 U H1' . 30132 1 413 . 1 1 30 30 U H2' H 1 4.51 0.05 . 1 . . . A 30 U H2' . 30132 1 414 . 1 1 30 30 U H3 H 1 14.358 0.01 . 1 . . . A 30 U H3 . 30132 1 415 . 1 1 30 30 U H3' H 1 4.926 0.47 . 1 . . . A 30 U H3' . 30132 1 416 . 1 1 30 30 U H4' H 1 4.508 0.02 . 1 . . . A 30 U H4' . 30132 1 417 . 1 1 30 30 U H5 H 1 5.603 0.01 . 1 . . . A 30 U H5 . 30132 1 418 . 1 1 30 30 U H5' H 1 4.257 0.11 . 1 . . . A 30 U H5' . 30132 1 419 . 1 1 30 30 U H6 H 1 7.818 0.02 . 1 . . . A 30 U H6 . 30132 1 420 . 1 1 30 30 U C1' C 13 91.131 0.1 . 1 . . . A 30 U C1' . 30132 1 421 . 1 1 30 30 U C2' C 13 75.962 0.11 . 1 . . . A 30 U C2' . 30132 1 422 . 1 1 30 30 U C3' C 13 75.484 0.03 . 1 . . . A 30 U C3' . 30132 1 423 . 1 1 30 30 U C4' C 13 84.353 0.02 . 1 . . . A 30 U C4' . 30132 1 424 . 1 1 30 30 U C5 C 13 105.04 0.06 . 1 . . . A 30 U C5 . 30132 1 425 . 1 1 30 30 U C5' C 13 66.853 0.05 . 1 . . . A 30 U C5' . 30132 1 426 . 1 1 30 30 U C6 C 13 143.063 0.04 . 1 . . . A 30 U C6 . 30132 1 427 . 1 1 31 31 A H1' H 1 6.004 0.29 . 1 . . . A 31 A H1' . 30132 1 428 . 1 1 31 31 A H2 H 1 7.346 0.02 . 1 . . . A 31 A H2 . 30132 1 429 . 1 1 31 31 A H2' H 1 4.793 0.33 . 1 . . . A 31 A H2' . 30132 1 430 . 1 1 31 31 A H3' H 1 4.855 0.43 . 1 . . . A 31 A H3' . 30132 1 431 . 1 1 31 31 A H4' H 1 4.771 0.43 . 1 . . . A 31 A H4' . 30132 1 432 . 1 1 31 31 A H8 H 1 8.413 0.01 . 1 . . . A 31 A H8 . 30132 1 433 . 1 1 31 31 A C1' C 13 93.133 0.04 . 1 . . . A 31 A C1' . 30132 1 434 . 1 1 31 31 A C2 C 13 153.549 0.05 . 1 . . . A 31 A C2 . 30132 1 435 . 1 1 31 31 A C2' C 13 75.038 0.78 . 1 . . . A 31 A C2' . 30132 1 436 . 1 1 31 31 A C3' C 13 75.044 0.85 . 1 . . . A 31 A C3' . 30132 1 437 . 1 1 31 31 A C4' C 13 83.326 0.08 . 1 . . . A 31 A C4' . 30132 1 438 . 1 1 31 31 A C5' C 13 67.125 0.02 . 1 . . . A 31 A C5' . 30132 1 439 . 1 1 31 31 A C8 C 13 141.603 0.02 . 1 . . . A 31 A C8 . 30132 1 440 . 1 1 31 31 A N1 N 15 217.297 0.01 . 1 . . . A 31 A N1 . 30132 1 441 . 1 1 31 31 A N3 N 15 208.244 0.08 . 1 . . . A 31 A N3 . 30132 1 442 . 1 1 32 32 C H1' H 1 5.433 0.15 . 1 . . . A 32 C H1' . 30132 1 443 . 1 1 32 32 C H2' H 1 4.496 0.01 . 1 . . . A 32 C H2' . 30132 1 444 . 1 1 32 32 C H3' H 1 4.409 0.16 . 1 . . . A 32 C H3' . 30132 1 445 . 1 1 32 32 C H4' H 1 4.942 0.51 . 1 . . . A 32 C H4' . 30132 1 446 . 1 1 32 32 C H5 H 1 5.252 0.01 . 1 . . . A 32 C H5 . 30132 1 447 . 1 1 32 32 C H6 H 1 7.575 0.01 . 1 . . . A 32 C H6 . 30132 1 448 . 1 1 32 32 C H41 H 1 6.944 0.03 . 1 . . . A 32 C H41 . 30132 1 449 . 1 1 32 32 C H42 H 1 8.337 0.01 . 1 . . . A 32 C H42 . 30132 1 450 . 1 1 32 32 C C1' C 13 94.077 0.04 . 1 . . . A 32 C C1' . 30132 1 451 . 1 1 32 32 C C2' C 13 72.922 0.03 . 1 . . . A 32 C C2' . 30132 1 452 . 1 1 32 32 C C3' C 13 72.338 0.03 . 1 . . . A 32 C C3' . 30132 1 453 . 1 1 32 32 C C4' C 13 88.136 0.05 . 1 . . . A 32 C C4' . 30132 1 454 . 1 1 32 32 C C5 C 13 97.99 0.04 . 1 . . . A 32 C C5 . 30132 1 455 . 1 1 32 32 C C6 C 13 141.315 0.04 . 1 . . . A 32 C C6 . 30132 1 456 . 1 1 32 32 C N4 N 15 91.882 0.04 . 1 . . . A 32 C N4 . 30132 1 457 . 1 1 33 33 A H1' H 1 5.88 0.33 . 1 . . . A 33 A H1' . 30132 1 458 . 1 1 33 33 A H2 H 1 7.467 0.02 . 1 . . . A 33 A H2 . 30132 1 459 . 1 1 33 33 A H2' H 1 4.81 0.37 . 1 . . . A 33 A H2' . 30132 1 460 . 1 1 33 33 A H8 H 1 7.994 0.01 . 1 . . . A 33 A H8 . 30132 1 461 . 1 1 33 33 A H61 H 1 6.551 0.01 . 1 . . . A 33 A H61 . 30132 1 462 . 1 1 33 33 A H62 H 1 8.344 0.01 . 1 . . . A 33 A H62 . 30132 1 463 . 1 1 33 33 A C1' C 13 93.653 0.03 . 1 . . . A 33 A C1' . 30132 1 464 . 1 1 33 33 A C2 C 13 153.791 0.03 . 1 . . . A 33 A C2 . 30132 1 465 . 1 1 33 33 A C2' C 13 75.938 0.02 . 1 . . . A 33 A C2' . 30132 1 466 . 1 1 33 33 A C3' C 13 73.018 0.06 . 1 . . . A 33 A C3' . 30132 1 467 . 1 1 33 33 A C4' C 13 82.504 0.05 . 1 . . . A 33 A C4' . 30132 1 468 . 1 1 33 33 A C8 C 13 140.027 0.06 . 1 . . . A 33 A C8 . 30132 1 469 . 1 1 33 33 A N1 N 15 216.44 0.02 . 1 . . . A 33 A N1 . 30132 1 470 . 1 1 33 33 A N3 N 15 209.686 0.08 . 1 . . . A 33 A N3 . 30132 1 471 . 1 1 33 33 A N6 N 15 77.862 0.01 . 1 . . . A 33 A N6 . 30132 1 472 . 1 1 34 34 U H1' H 1 5.38 0.01 . 1 . . . A 34 U H1' . 30132 1 473 . 1 1 34 34 U H2' H 1 4.073 0.01 . 1 . . . A 34 U H2' . 30132 1 474 . 1 1 34 34 U H3 H 1 12.112 0.02 . 1 . . . A 34 U H3 . 30132 1 475 . 1 1 34 34 U H3' H 1 4.534 0.02 . 1 . . . A 34 U H3' . 30132 1 476 . 1 1 34 34 U H4' H 1 4.443 0.04 . 1 . . . A 34 U H4' . 30132 1 477 . 1 1 34 34 U H5 H 1 5.394 0.01 . 1 . . . A 34 U H5 . 30132 1 478 . 1 1 34 34 U H6 H 1 7.728 0.01 . 1 . . . A 34 U H6 . 30132 1 479 . 1 1 34 34 U C1' C 13 93.781 0.04 . 1 . . . A 34 U C1' . 30132 1 480 . 1 1 34 34 U C2' C 13 76.077 0.02 . 1 . . . A 34 U C2' . 30132 1 481 . 1 1 34 34 U C3' C 13 72.551 0.21 . 1 . . . A 34 U C3' . 30132 1 482 . 1 1 34 34 U C4' C 13 82.639 0.05 . 1 . . . A 34 U C4' . 30132 1 483 . 1 1 34 34 U C5 C 13 104.242 0.04 . 1 . . . A 34 U C5 . 30132 1 484 . 1 1 34 34 U C6 C 13 140.988 0.02 . 1 . . . A 34 U C6 . 30132 1 485 . 1 1 34 34 U N3 N 15 153.254 0.07 . 1 . . . A 34 U N3 . 30132 1 486 . 1 1 35 35 C H1' H 1 5.594 0.22 . 1 . . . A 35 C H1' . 30132 1 487 . 1 1 35 35 C H2' H 1 4.225 0.01 . 1 . . . A 35 C H2' . 30132 1 488 . 1 1 35 35 C H3' H 1 4.692 0.39 . 1 . . . A 35 C H3' . 30132 1 489 . 1 1 35 35 C H5 H 1 5.661 0.01 . 1 . . . A 35 C H5 . 30132 1 490 . 1 1 35 35 C H5' H 1 4.527 0.05 . 1 . . . A 35 C H5' . 30132 1 491 . 1 1 35 35 C H6 H 1 8.021 0.01 . 1 . . . A 35 C H6 . 30132 1 492 . 1 1 35 35 C H41 H 1 7.002 0.03 . 1 . . . A 35 C H41 . 30132 1 493 . 1 1 35 35 C H42 H 1 8.592 0.01 . 1 . . . A 35 C H42 . 30132 1 494 . 1 1 35 35 C C1' C 13 94.317 0.03 . 1 . . . A 35 C C1' . 30132 1 495 . 1 1 35 35 C C2' C 13 76.029 0.03 . 1 . . . A 35 C C2' . 30132 1 496 . 1 1 35 35 C C3' C 13 83.365 0.03 . 1 . . . A 35 C C3' . 30132 1 497 . 1 1 35 35 C C4' C 13 82.16 0.05 . 1 . . . A 35 C C4' . 30132 1 498 . 1 1 35 35 C C5 C 13 97.759 0.04 . 1 . . . A 35 C C5 . 30132 1 499 . 1 1 35 35 C C6 C 13 143.289 0.01 . 1 . . . A 35 C C6 . 30132 1 500 . 1 1 35 35 C N4 N 15 92.936 0.03 . 1 . . . A 35 C N4 . 30132 1 501 . 1 1 36 36 C H1' H 1 5.776 0.01 . 1 . . . A 36 C H1' . 30132 1 502 . 1 1 36 36 C H2' H 1 4.041 0.06 . 1 . . . A 36 C H2' . 30132 1 503 . 1 1 36 36 C H3' H 1 4.211 0.01 . 1 . . . A 36 C H3' . 30132 1 504 . 1 1 36 36 C H4' H 1 4.193 0.01 . 1 . . . A 36 C H4' . 30132 1 505 . 1 1 36 36 C H5 H 1 5.575 0.01 . 1 . . . A 36 C H5 . 30132 1 506 . 1 1 36 36 C H6 H 1 7.707 0.06 . 1 . . . A 36 C H6 . 30132 1 507 . 1 1 36 36 C H41 H 1 7.088 0.03 . 1 . . . A 36 C H41 . 30132 1 508 . 1 1 36 36 C H42 H 1 8.441 0.01 . 1 . . . A 36 C H42 . 30132 1 509 . 1 1 36 36 C C1' C 13 93.32 0.02 . 1 . . . A 36 C C1' . 30132 1 510 . 1 1 36 36 C C2' C 13 77.947 0.03 . 1 . . . A 36 C C2' . 30132 1 511 . 1 1 36 36 C C3' C 13 70.003 0.03 . 1 . . . A 36 C C3' . 30132 1 512 . 1 1 36 36 C C4' C 13 83.828 0.05 . 1 . . . A 36 C C4' . 30132 1 513 . 1 1 36 36 C C5 C 13 98.613 0.01 . 1 . . . A 36 C C5 . 30132 1 514 . 1 1 36 36 C C6 C 13 142.323 0.07 . 1 . . . A 36 C C6 . 30132 1 515 . 1 1 36 36 C N4 N 15 92.241 0.43 . 1 . . . A 36 C N4 . 30132 1 stop_ save_