data_30026 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30026 _Entry.Title ; NMR structure of the 5'-terminal hairpin of the 7SK snRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-25 _Entry.Accession_date 2016-02-25 _Entry.Last_release_date 2016-10-28 _Entry.Original_release_date 2016-10-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _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 S. Bourbigot S. . . . 30026 2 A.C. Dock-Bregeon . . . . 30026 3 J. Coutant J. . . . 30026 4 B. Kieffer B. . . . 30026 5 I. Lebars I. . . . 30026 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 30026 regulator . 30026 transcription . 30026 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30026 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 68 30026 '15N chemical shifts' 23 30026 '1H chemical shifts' 256 30026 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 . . 2016-11-21 2016-02-25 update BMRB 'update entry citation' 30026 1 . . 2016-10-28 2016-02-25 original author 'original release' 30026 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5IEM 'BMRB Entry Tracking System' 30026 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30026 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27852926 _Citation.Full_citation . _Citation.Title ; Solution structure of the 5'-terminal hairpin of the 7SK small nuclear RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 1844 _Citation.Page_last 1858 _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 S. Bourbigot S. . . . 30026 1 2 A.C. Dock-Bregeon . . . . 30026 1 3 P. Eberling P. . . . 30026 1 4 J. Coutant J. . . . 30026 1 5 B. Kieffer B. . . . 30026 1 6 I. Lebars I. . . . 30026 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30026 _Assembly.ID 1 _Assembly.Name "5'-terminal hairpin of the 7SK snRNA" _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 . . . . . . 30026 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30026 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA (57-MER)' _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 ; GGGAUCUGUCACCCCAUUGA UCGCCUUCGGGCUGAUCUGG CUGGCUAGGCGGGUCCC ; _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 57 _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 18268.777 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details RNA _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 1 G . 30026 1 2 2 G . 30026 1 3 3 G . 30026 1 4 4 A . 30026 1 5 5 U . 30026 1 6 6 C . 30026 1 7 7 U . 30026 1 8 8 G . 30026 1 9 9 U . 30026 1 10 10 C . 30026 1 11 11 A . 30026 1 12 12 C . 30026 1 13 13 C . 30026 1 14 14 C . 30026 1 15 15 C . 30026 1 16 16 A . 30026 1 17 17 U . 30026 1 18 18 U . 30026 1 19 19 G . 30026 1 20 20 A . 30026 1 21 21 U . 30026 1 22 22 C . 30026 1 23 23 G . 30026 1 24 24 C . 30026 1 25 25 C . 30026 1 26 26 U . 30026 1 27 27 U . 30026 1 28 28 C . 30026 1 29 29 G . 30026 1 30 30 G . 30026 1 31 31 G . 30026 1 32 32 C . 30026 1 33 33 U . 30026 1 34 34 G . 30026 1 35 35 A . 30026 1 36 36 U . 30026 1 37 37 C . 30026 1 38 38 U . 30026 1 39 39 G . 30026 1 40 40 G . 30026 1 41 41 C . 30026 1 42 42 U . 30026 1 43 43 G . 30026 1 44 44 G . 30026 1 45 45 C . 30026 1 46 46 U . 30026 1 47 47 A . 30026 1 48 48 G . 30026 1 49 49 G . 30026 1 50 50 C . 30026 1 51 51 G . 30026 1 52 52 G . 30026 1 53 53 G . 30026 1 54 54 U . 30026 1 55 55 C . 30026 1 56 56 C . 30026 1 57 57 C . 30026 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 30026 1 . G 2 2 30026 1 . G 3 3 30026 1 . A 4 4 30026 1 . U 5 5 30026 1 . C 6 6 30026 1 . U 7 7 30026 1 . G 8 8 30026 1 . U 9 9 30026 1 . C 10 10 30026 1 . A 11 11 30026 1 . C 12 12 30026 1 . C 13 13 30026 1 . C 14 14 30026 1 . C 15 15 30026 1 . A 16 16 30026 1 . U 17 17 30026 1 . U 18 18 30026 1 . G 19 19 30026 1 . A 20 20 30026 1 . U 21 21 30026 1 . C 22 22 30026 1 . G 23 23 30026 1 . C 24 24 30026 1 . C 25 25 30026 1 . U 26 26 30026 1 . U 27 27 30026 1 . C 28 28 30026 1 . G 29 29 30026 1 . G 30 30 30026 1 . G 31 31 30026 1 . C 32 32 30026 1 . U 33 33 30026 1 . G 34 34 30026 1 . A 35 35 30026 1 . U 36 36 30026 1 . C 37 37 30026 1 . U 38 38 30026 1 . G 39 39 30026 1 . G 40 40 30026 1 . C 41 41 30026 1 . U 42 42 30026 1 . G 43 43 30026 1 . G 44 44 30026 1 . C 45 45 30026 1 . U 46 46 30026 1 . A 47 47 30026 1 . G 48 48 30026 1 . G 49 49 30026 1 . C 50 50 30026 1 . G 51 51 30026 1 . G 52 52 30026 1 . G 53 53 30026 1 . U 54 54 30026 1 . C 55 55 30026 1 . C 56 56 30026 1 . C 57 57 30026 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 30026 _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 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30026 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 30026 _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' . . . . . . . . . . . . . . . . 30026 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30026 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 HPI 'natural abundance' . . 1 $entity_1 . . 0.8 . . mM . . . . 30026 1 2 HPI '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 1 3 HPI '[U-13C; U-15N]-Ade' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 1 4 HPI '[U-13C; U-15N]-Cyt' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 1 5 HPI '[U-13C; U-15N]-Gua' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 1 6 HPI '[U-13C; U-15N]-Ura' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30026 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30026 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30026 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 HPI 'natural abundance' . . 1 $entity_1 . . 0.8 . . mM . . . . 30026 2 2 HPI '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 2 3 HPI '[U-13C; U-15N]-Ade' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 2 4 HPI '[U-13C; U-15N]-Cyt' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 2 5 HPI '[U-13C; U-15N]-Gua' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 2 6 HPI '[U-13C; U-15N]-Ura' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30026 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30026 _Sample.ID 3 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details . _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 HPI '[U-13C; U-15N]-Ade' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 3 2 HPI '[U-13C; U-15N]-Gua' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 3 3 HPI '[U-13C; U-15N]-Ura' . . 1 $entity_1 . . 0.4 . . mM . . . . 30026 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30026 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30026 3 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 30026 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30026 1 pH 6.4 . pH 30026 1 pressure 101325 . Pa 30026 1 temperature 288 . K 30026 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 30026 _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' 50 . mM 30026 2 pH 6.4 . pH 30026 2 pressure 101325 . Pa 30026 2 temperature 303 . K 30026 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 30026 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30026 3 pH 6.4 . pH 30026 3 pressure 101325 . Pa 30026 3 temperature 303 . K 30026 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30026 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30026 1 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30026 1 'structure calculation' 30026 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30026 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30026 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30026 2 'peak picking' 30026 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30026 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30026 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30026 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30026 _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 AvanceIII . 500 . . . 30026 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 30026 1 3 NMR_spectrometer_3 Bruker DRX . 600 . . . 30026 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 30026 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30026 1 7 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 1 10 '3D HCP' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30026 1 11 '2D HPCOSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30026 1 12 '2D HCN' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30026 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 30026 _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 TSP 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 30026 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30026 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 30026 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 30026 _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 2 '2D 1H-15N HSQC' . . . 30026 1 3 '2D 1H-1H NOESY' . . . 30026 1 4 '2D 1H-13C HSQC' . . . 30026 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 2 $software_2 . . 30026 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 H8 H 1 8.16 0.05 . . . . . . 1 GUA H8 . 30026 1 2 . 1 1 1 1 G H1' H 1 5.82 0.05 . . . . . . 1 GUA H1' . 30026 1 3 . 1 1 1 1 G H2' H 1 4.91 0.05 . . . . . . 1 GUA H2' . 30026 1 4 . 1 1 1 1 G H3' H 1 4.77 0.05 . . . . . . 1 GUA H3' . 30026 1 5 . 1 1 1 1 G H4' H 1 4.52 0.05 . . . . . . 1 GUA H4' . 30026 1 6 . 1 1 1 1 G H5' H 1 4.27 0.05 . . . . . . 1 GUA H5' . 30026 1 7 . 1 1 1 1 G H5'' H 1 4.46 0.05 . . . . . . 1 GUA H5'' . 30026 1 8 . 1 1 1 1 G C8 C 13 139.41 0.50 . . . . . . 1 GUA C8 . 30026 1 9 . 1 1 2 2 G H1 H 1 12.47 0.05 . . . . . . 2 GUA H1 . 30026 1 10 . 1 1 2 2 G H8 H 1 7.51 0.05 . . . . . . 2 GUA H8 . 30026 1 11 . 1 1 2 2 G H1' H 1 5.92 0.05 . . . . . . 2 GUA H1' . 30026 1 12 . 1 1 2 2 G H4' H 1 4.52 0.05 . . . . . . 2 GUA H4' . 30026 1 13 . 1 1 2 2 G H5' H 1 4.19 0.05 . . . . . . 2 GUA H5' . 30026 1 14 . 1 1 2 2 G C8 C 13 139.77 0.50 . . . . . . 2 GUA C8 . 30026 1 15 . 1 1 2 2 G C1' C 13 92.81 0.50 . . . . . . 2 GUA C1' . 30026 1 16 . 1 1 2 2 G N1 N 15 147.66 0.05 . . . . . . 2 GUA N1 . 30026 1 17 . 1 1 3 3 G H1 H 1 12.12 0.05 . . . . . . 3 GUA H1 . 30026 1 18 . 1 1 3 3 G H8 H 1 7.22 0.05 . . . . . . 3 GUA H8 . 30026 1 19 . 1 1 3 3 G H1' H 1 5.77 0.05 . . . . . . 3 GUA H1' . 30026 1 20 . 1 1 3 3 G H3' H 1 4.49 0.05 . . . . . . 3 GUA H3' . 30026 1 21 . 1 1 3 3 G H5' H 1 4.09 0.05 . . . . . . 3 GUA H5' . 30026 1 22 . 1 1 3 3 G C8 C 13 136.15 0.50 . . . . . . 3 GUA C8 . 30026 1 23 . 1 1 3 3 G N1 N 15 147.28 0.50 . . . . . . 3 GUA N1 . 30026 1 24 . 1 1 4 4 A H2 H 1 7.89 0.05 . . . . . . 4 ADE H2 . 30026 1 25 . 1 1 4 4 A H8 H 1 7.65 0.05 . . . . . . 4 ADE H8 . 30026 1 26 . 1 1 4 4 A H1' H 1 5.97 0.05 . . . . . . 4 ADE H1' . 30026 1 27 . 1 1 4 4 A H5' H 1 4.08 0.05 . . . . . . 4 ADE H5' . 30026 1 28 . 1 1 4 4 A C2 C 13 154.19 0.50 . . . . . . 4 ADE C2 . 30026 1 29 . 1 1 4 4 A C8 C 13 139.15 0.50 . . . . . . 4 ADE C8 . 30026 1 30 . 1 1 5 5 U H3 H 1 11.61 0.05 . . . . . . 5 URI H3 . 30026 1 31 . 1 1 5 5 U H5 H 1 5.33 0.05 . . . . . . 5 URI H5 . 30026 1 32 . 1 1 5 5 U H6 H 1 7.55 0.05 . . . . . . 5 URI H6 . 30026 1 33 . 1 1 5 5 U H1' H 1 5.33 0.05 . . . . . . 5 URI H1' . 30026 1 34 . 1 1 5 5 U H2' H 1 4.10 0.05 . . . . . . 5 URI H2' . 30026 1 35 . 1 1 5 5 U C5 C 13 104.01 0.50 . . . . . . 5 URI C5 . 30026 1 36 . 1 1 5 5 U C6 C 13 140.58 0.50 . . . . . . 5 URI C6 . 30026 1 37 . 1 1 5 5 U C1' C 13 93.21 0.50 . . . . . . 5 URI C1' . 30026 1 38 . 1 1 5 5 U N3 N 15 158.69 0.50 . . . . . . 5 URI N3 . 30026 1 39 . 1 1 6 6 C H41 H 1 6.61 0.05 . . . . . . 6 CYT H41 . 30026 1 40 . 1 1 6 6 C H42 H 1 8.15 0.05 . . . . . . 6 CYT H42 . 30026 1 41 . 1 1 6 6 C H5 H 1 5.59 0.05 . . . . . . 6 CYT H5 . 30026 1 42 . 1 1 6 6 C H6 H 1 7.77 0.05 . . . . . . 6 CYT H6 . 30026 1 43 . 1 1 6 6 C H1' H 1 5.59 0.05 . . . . . . 6 CYT H1' . 30026 1 44 . 1 1 7 7 U H3 H 1 11.41 0.05 . . . . . . 7 URI H3 . 30026 1 45 . 1 1 7 7 U H5 H 1 5.63 0.05 . . . . . . 7 URI H5 . 30026 1 46 . 1 1 7 7 U H6 H 1 7.74 0.05 . . . . . . 7 URI H6 . 30026 1 47 . 1 1 7 7 U H1' H 1 5.58 0.05 . . . . . . 7 URI H1' . 30026 1 48 . 1 1 7 7 U N3 N 15 158.08 0.50 . . . . . . 7 URI N3 . 30026 1 49 . 1 1 8 8 G H1 H 1 12.69 0.05 . . . . . . 8 GUA H1 . 30026 1 50 . 1 1 8 8 G H8 H 1 7.86 0.05 . . . . . . 8 GUA H8 . 30026 1 51 . 1 1 8 8 G H1' H 1 5.71 0.05 . . . . . . 8 GUA H1' . 30026 1 52 . 1 1 8 8 G C8 C 13 137.26 0.50 . . . . . . 8 GUA C8 . 30026 1 53 . 1 1 8 8 G N1 N 15 147.66 0.50 . . . . . . 8 GUA N1 . 30026 1 54 . 1 1 9 9 U H3 H 1 11.80 0.05 . . . . . . 9 URI H3 . 30026 1 55 . 1 1 9 9 U H5 H 1 5.39 0.05 . . . . . . 9 URI H5 . 30026 1 56 . 1 1 9 9 U H6 H 1 7.69 0.05 . . . . . . 9 URI H6 . 30026 1 57 . 1 1 9 9 U H1' H 1 5.42 0.05 . . . . . . 9 URI H1' . 30026 1 58 . 1 1 9 9 U C5 C 13 104.03 0.50 . . . . . . 9 URI C5 . 30026 1 59 . 1 1 9 9 U C6 C 13 140.78 0.50 . . . . . . 9 URI C6 . 30026 1 60 . 1 1 9 9 U C1' C 13 93.84 0.50 . . . . . . 9 URI C1' . 30026 1 61 . 1 1 9 9 U N3 N 15 158.67 0.50 . . . . . . 9 URI N3 . 30026 1 62 . 1 1 10 10 C H41 H 1 6.61 0.05 . . . . . . 10 CYT H41 . 30026 1 63 . 1 1 10 10 C H42 H 1 8.04 0.05 . . . . . . 10 CYT H42 . 30026 1 64 . 1 1 10 10 C H5 H 1 5.51 0.05 . . . . . . 10 CYT H5 . 30026 1 65 . 1 1 10 10 C H6 H 1 7.84 0.05 . . . . . . 10 CYT H6 . 30026 1 66 . 1 1 10 10 C H1' H 1 5.67 0.05 . . . . . . 10 CYT H1' . 30026 1 67 . 1 1 10 10 C H2' H 1 4.57 0.05 . . . . . . 10 CYT H2' . 30026 1 68 . 1 1 10 10 C H3' H 1 4.50 0.05 . . . . . . 10 CYT H3' . 30026 1 69 . 1 1 11 11 A H2 H 1 7.73 0.05 . . . . . . 11 ADE H2 . 30026 1 70 . 1 1 11 11 A H8 H 1 8.00 0.05 . . . . . . 11 ADE H8 . 30026 1 71 . 1 1 11 11 A H1' H 1 5.82 0.05 . . . . . . 11 ADE H1' . 30026 1 72 . 1 1 11 11 A C2 C 13 153.31 0.50 . . . . . . 11 ADE C2 . 30026 1 73 . 1 1 11 11 A C8 C 13 140.05 0.50 . . . . . . 11 ADE C8 . 30026 1 74 . 1 1 12 12 C H41 H 1 6.83 0.05 . . . . . . 12 CYT H41 . 30026 1 75 . 1 1 12 12 C H42 H 1 8.33 0.05 . . . . . . 12 CYT H42 . 30026 1 76 . 1 1 12 12 C H5 H 1 5.25 0.05 . . . . . . 12 CYT H5 . 30026 1 77 . 1 1 12 12 C H6 H 1 7.42 0.05 . . . . . . 12 CYT H6 . 30026 1 78 . 1 1 12 12 C H1' H 1 5.53 0.05 . . . . . . 12 CYT H1' . 30026 1 79 . 1 1 13 13 C H41 H 1 6.82 0.05 . . . . . . 13 CYT H41 . 30026 1 80 . 1 1 13 13 C H42 H 1 8.00 0.05 . . . . . . 13 CYT H42 . 30026 1 81 . 1 1 13 13 C H5 H 1 5.50 0.05 . . . . . . 13 CYT H5 . 30026 1 82 . 1 1 13 13 C H6 H 1 7.49 0.05 . . . . . . 13 CYT H6 . 30026 1 83 . 1 1 13 13 C H1' H 1 5.47 0.05 . . . . . . 13 CYT H1' . 30026 1 84 . 1 1 14 14 C H5 H 1 5.72 0.05 . . . . . . 14 CYT H5 . 30026 1 85 . 1 1 14 14 C H6 H 1 7.78 0.05 . . . . . . 14 CYT H6 . 30026 1 86 . 1 1 14 14 C H1' H 1 5.45 0.05 . . . . . . 14 CYT H1' . 30026 1 87 . 1 1 15 15 C H41 H 1 6.68 0.05 . . . . . . 15 CYT H41 . 30026 1 88 . 1 1 15 15 C H42 H 1 7.76 0.05 . . . . . . 15 CYT H42 . 30026 1 89 . 1 1 15 15 C H5 H 1 5.51 0.05 . . . . . . 15 CYT H5 . 30026 1 90 . 1 1 15 15 C H6 H 1 7.68 0.05 . . . . . . 15 CYT H6 . 30026 1 91 . 1 1 15 15 C H1' H 1 5.39 0.05 . . . . . . 15 CYT H1' . 30026 1 92 . 1 1 16 16 A H2 H 1 6.99 0.05 . . . . . . 16 ADE H2 . 30026 1 93 . 1 1 16 16 A H8 H 1 7.89 0.05 . . . . . . 16 ADE H8 . 30026 1 94 . 1 1 16 16 A H1' H 1 5.86 0.05 . . . . . . 16 ADE H1' . 30026 1 95 . 1 1 16 16 A C2 C 13 153.64 0.50 . . . . . . 16 ADE C2 . 30026 1 96 . 1 1 16 16 A C8 C 13 139.64 0.50 . . . . . . 16 ADE C8 . 30026 1 97 . 1 1 17 17 U H3 H 1 10.14 0.05 . . . . . . 17 URI H3 . 30026 1 98 . 1 1 17 17 U H5 H 1 5.28 0.05 . . . . . . 17 URI H5 . 30026 1 99 . 1 1 17 17 U H6 H 1 7.41 0.05 . . . . . . 17 URI H6 . 30026 1 100 . 1 1 17 17 U H1' H 1 5.53 0.05 . . . . . . 17 URI H1' . 30026 1 101 . 1 1 17 17 U C1' C 13 90.75 0.50 . . . . . . 17 URI C1' . 30026 1 102 . 1 1 18 18 U H3 H 1 11.42 0.50 . . . . . . 18 URI H3 . 30026 1 103 . 1 1 18 18 U H5 H 1 5.89 0.05 . . . . . . 18 URI H5 . 30026 1 104 . 1 1 18 18 U H6 H 1 7.86 0.05 . . . . . . 18 URI H6 . 30026 1 105 . 1 1 18 18 U H1' H 1 6.00 0.05 . . . . . . 18 URI H1' . 30026 1 106 . 1 1 18 18 U C5 C 13 105.34 0.50 . . . . . . 18 URI C5 . 30026 1 107 . 1 1 18 18 U C6 C 13 143.90 0.50 . . . . . . 18 URI C6 . 30026 1 108 . 1 1 18 18 U C1' C 13 90.98 0.50 . . . . . . 18 URI C1' . 30026 1 109 . 1 1 19 19 G H1 H 1 12.27 0.05 . . . . . . 19 GUA H1 . 30026 1 110 . 1 1 19 19 G H8 H 1 7.85 0.05 . . . . . . 19 GUA H8 . 30026 1 111 . 1 1 19 19 G H1' H 1 5.72 0.05 . . . . . . 19 GUA H1' . 30026 1 112 . 1 1 19 19 G C8 C 13 137.70 0.50 . . . . . . 19 GUA C8 . 30026 1 113 . 1 1 19 19 G N1 N 15 147.24 0.50 . . . . . . 19 GUA N1 . 30026 1 114 . 1 1 20 20 A H2 H 1 7.83 0.05 . . . . . . 20 ADE H2 . 30026 1 115 . 1 1 20 20 A H8 H 1 7.88 0.05 . . . . . . 20 ADE H8 . 30026 1 116 . 1 1 20 20 A H1' H 1 6.02 0.05 . . . . . . 20 ADE H1' . 30026 1 117 . 1 1 20 20 A C2 C 13 153.84 0.50 . . . . . . 20 ADE C2 . 30026 1 118 . 1 1 20 20 A C8 C 13 139.92 0.50 . . . . . . 20 ADE C8 . 30026 1 119 . 1 1 21 21 U H3 H 1 13.92 0.05 . . . . . . 21 URI H3 . 30026 1 120 . 1 1 21 21 U H5 H 1 5.02 0.05 . . . . . . 21 URI H5 . 30026 1 121 . 1 1 21 21 U H6 H 1 7.61 0.05 . . . . . . 21 URI H6 . 30026 1 122 . 1 1 21 21 U H1' H 1 5.88 0.05 . . . . . . 21 URI H1' . 30026 1 123 . 1 1 21 21 U C5 C 13 102.74 0.50 . . . . . . 21 URI C5 . 30026 1 124 . 1 1 21 21 U C6 C 13 141.65 0.50 . . . . . . 21 URI C6 . 30026 1 125 . 1 1 21 21 U C1' C 13 90.60 0.50 . . . . . . 21 URI C1' . 30026 1 126 . 1 1 21 21 U N3 N 15 162.55 0.50 . . . . . . 21 URI N3 . 30026 1 127 . 1 1 22 22 C H41 H 1 6.57 0.05 . . . . . . 22 CYT H41 . 30026 1 128 . 1 1 22 22 C H42 H 1 8.06 0.05 . . . . . . 22 CYT H42 . 30026 1 129 . 1 1 22 22 C H5 H 1 5.60 0.05 . . . . . . 22 CYT H5 . 30026 1 130 . 1 1 22 22 C H6 H 1 7.68 0.05 . . . . . . 22 CYT H6 . 30026 1 131 . 1 1 22 22 C H1' H 1 5.55 0.05 . . . . . . 22 CYT H1' . 30026 1 132 . 1 1 23 23 G H1 H 1 11.83 0.05 . . . . . . 23 GUA H1 . 30026 1 133 . 1 1 23 23 G H8 H 1 7.54 0.05 . . . . . . 23 GUA H8 . 30026 1 134 . 1 1 23 23 G H1' H 1 5.61 0.05 . . . . . . 23 GUA H1' . 30026 1 135 . 1 1 23 23 G H2' H 1 4.42 0.05 . . . . . . 23 GUA H2' . 30026 1 136 . 1 1 23 23 G C8 C 13 136.21 0.50 . . . . . . 23 GUA C8 . 30026 1 137 . 1 1 24 24 C H41 H 1 6.66 0.05 . . . . . . 24 CYT H41 . 30026 1 138 . 1 1 24 24 C H42 H 1 8.33 0.05 . . . . . . 24 CYT H42 . 30026 1 139 . 1 1 24 24 C H5 H 1 5.27 0.05 . . . . . . 24 CYT H5 . 30026 1 140 . 1 1 24 24 C H6 H 1 7.75 0.05 . . . . . . 24 CYT H6 . 30026 1 141 . 1 1 25 25 C H41 H 1 6.63 0.05 . . . . . . 25 CYT H41 . 30026 1 142 . 1 1 25 25 C H42 H 1 8.33 0.05 . . . . . . 25 CYT H42 . 30026 1 143 . 1 1 25 25 C H5 H 1 5.46 0.05 . . . . . . 25 CYT H5 . 30026 1 144 . 1 1 25 25 C H6 H 1 7.65 0.05 . . . . . . 25 CYT H6 . 30026 1 145 . 1 1 25 25 C H1' H 1 5.47 0.05 . . . . . . 25 CYT H1' . 30026 1 146 . 1 1 26 26 U H3 H 1 11.53 0.05 . . . . . . 26 URI H3 . 30026 1 147 . 1 1 26 26 U H5 H 1 5.76 0.05 . . . . . . 26 URI H5 . 30026 1 148 . 1 1 26 26 U H6 H 1 7.77 0.05 . . . . . . 26 URI H6 . 30026 1 149 . 1 1 26 26 U H1' H 1 5.59 0.05 . . . . . . 26 URI H1' . 30026 1 150 . 1 1 26 26 U H2' H 1 3.77 0.05 . . . . . . 26 URI H2' . 30026 1 151 . 1 1 26 26 U H3' H 1 4.52 0.05 . . . . . . 26 URI H3' . 30026 1 152 . 1 1 26 26 U H4' H 1 4.36 0.05 . . . . . . 26 URI H4' . 30026 1 153 . 1 1 26 26 U H5' H 1 4.09 0.05 . . . . . . 26 URI H5' . 30026 1 154 . 1 1 26 26 U H5'' H 1 4.50 0.05 . . . . . . 26 URI H5'' . 30026 1 155 . 1 1 26 26 U C5 C 13 104.78 0.50 . . . . . . 26 URI C5 . 30026 1 156 . 1 1 26 26 U C6 C 13 140.80 0.50 . . . . . . 26 URI C6 . 30026 1 157 . 1 1 26 26 U C1' C 13 94.59 0.50 . . . . . . 26 URI C1' . 30026 1 158 . 1 1 26 26 U C2' C 13 75.93 0.50 . . . . . . 26 URI C2' . 30026 1 159 . 1 1 27 27 U H3 H 1 11.11 0.05 . . . . . . 27 URI H3 . 30026 1 160 . 1 1 27 27 U H5 H 1 5.85 0.05 . . . . . . 27 URI H5 . 30026 1 161 . 1 1 27 27 U H6 H 1 8.03 0.05 . . . . . . 27 URI H6 . 30026 1 162 . 1 1 27 27 U H1' H 1 6.09 0.05 . . . . . . 27 URI H1' . 30026 1 163 . 1 1 27 27 U H2' H 1 4.00 0.05 . . . . . . 27 URI H2' . 30026 1 164 . 1 1 27 27 U H3' H 1 4.67 0.05 . . . . . . 27 URI H3' . 30026 1 165 . 1 1 27 27 U H4' H 1 4.46 0.05 . . . . . . 27 URI H4' . 30026 1 166 . 1 1 27 27 U H5' H 1 4.04 0.05 . . . . . . 27 URI H5' . 30026 1 167 . 1 1 27 27 U H5'' H 1 4.23 0.05 . . . . . . 27 URI H5'' . 30026 1 168 . 1 1 27 27 U C5 C 13 105.44 0.50 . . . . . . 27 URI C5 . 30026 1 169 . 1 1 27 27 U C6 C 13 144.81 0.50 . . . . . . 27 URI C6 . 30026 1 170 . 1 1 27 27 U C1' C 13 89.25 0.50 . . . . . . 27 URI C1' . 30026 1 171 . 1 1 27 27 U C4' C 13 86.93 0.50 . . . . . . 27 URI C4' . 30026 1 172 . 1 1 28 28 C H41 H 1 6.12 0.05 . . . . . . 28 CYT H41 . 30026 1 173 . 1 1 28 28 C H42 H 1 6.87 0.05 . . . . . . 28 CYT H42 . 30026 1 174 . 1 1 28 28 C H5 H 1 6.13 0.05 . . . . . . 28 CYT H5 . 30026 1 175 . 1 1 28 28 C H6 H 1 7.68 0.05 . . . . . . 28 CYT H6 . 30026 1 176 . 1 1 28 28 C H1' H 1 5.95 0.05 . . . . . . 28 CYT H1' . 30026 1 177 . 1 1 28 28 C H2' H 1 4.09 0.05 . . . . . . 28 CYT H2' . 30026 1 178 . 1 1 28 28 C H3' H 1 4.47 0.05 . . . . . . 28 CYT H3' . 30026 1 179 . 1 1 28 28 C H4' H 1 3.77 0.05 . . . . . . 28 CYT H4' . 30026 1 180 . 1 1 28 28 C H5' H 1 2.72 0.05 . . . . . . 28 CYT H5' . 30026 1 181 . 1 1 28 28 C H5'' H 1 3.60 0.05 . . . . . . 28 CYT H5'' . 30026 1 182 . 1 1 29 29 G H1 H 1 9.58 0.05 . . . . . . 29 GUA H1 . 30026 1 183 . 1 1 29 29 G H8 H 1 7.84 0.05 . . . . . . 29 GUA H8 . 30026 1 184 . 1 1 29 29 G H1' H 1 5.94 0.05 . . . . . . 29 GUA H1' . 30026 1 185 . 1 1 29 29 G H2' H 1 4.86 0.05 . . . . . . 29 GUA H2' . 30026 1 186 . 1 1 29 29 G H3' H 1 5.62 0.05 . . . . . . 29 GUA H3' . 30026 1 187 . 1 1 29 29 G H4' H 1 4.39 0.05 . . . . . . 29 GUA H4' . 30026 1 188 . 1 1 29 29 G H5' H 1 4.17 0.05 . . . . . . 29 GUA H5' . 30026 1 189 . 1 1 29 29 G H5'' H 1 4.39 0.05 . . . . . . 29 GUA H5'' . 30026 1 190 . 1 1 29 29 G C8 C 13 142.94 0.50 . . . . . . 29 GUA C8 . 30026 1 191 . 1 1 29 29 G C1' C 13 94.62 0.50 . . . . . . 29 GUA C1' . 30026 1 192 . 1 1 29 29 G C3' C 13 75.95 0.50 . . . . . . 29 GUA C3' . 30026 1 193 . 1 1 29 29 G C5' C 13 69.08 0.50 . . . . . . 29 GUA C5' . 30026 1 194 . 1 1 29 29 G N1 N 15 143.35 0.50 . . . . . . 29 GUA N1 . 30026 1 195 . 1 1 30 30 G H1 H 1 12.63 0.05 . . . . . . 30 GUA H1 . 30026 1 196 . 1 1 30 30 G H8 H 1 8.28 0.05 . . . . . . 30 GUA H8 . 30026 1 197 . 1 1 30 30 G H1' H 1 4.48 0.05 . . . . . . 30 GUA H1' . 30026 1 198 . 1 1 30 30 G H2' H 1 4.39 0.05 . . . . . . 30 GUA H2' . 30026 1 199 . 1 1 30 30 G H3' H 1 4.29 0.05 . . . . . . 30 GUA H3' . 30026 1 200 . 1 1 30 30 G H4' H 1 4.59 0.05 . . . . . . 30 GUA H4' . 30026 1 201 . 1 1 30 30 G H5' H 1 4.25 0.05 . . . . . . 30 GUA H5' . 30026 1 202 . 1 1 30 30 G H5'' H 1 4.51 0.05 . . . . . . 30 GUA H5'' . 30026 1 203 . 1 1 30 30 G C8 C 13 138.80 0.50 . . . . . . 30 GUA C8 . 30026 1 204 . 1 1 30 30 G C1' C 13 92.97 0.50 . . . . . . 30 GUA C1' . 30026 1 205 . 1 1 30 30 G C5' C 13 69.66 0.50 . . . . . . 30 GUA C5' . 30026 1 206 . 1 1 30 30 G N1 N 15 147.44 0.50 . . . . . . 30 GUA N1 . 30026 1 207 . 1 1 31 31 G H1 H 1 12.92 0.05 . . . . . . 31 GUA H1 . 30026 1 208 . 1 1 31 31 G H8 H 1 7.20 0.05 . . . . . . 31 GUA H8 . 30026 1 209 . 1 1 31 31 G H1' H 1 5.77 0.05 . . . . . . 31 GUA H1' . 30026 1 210 . 1 1 31 31 G H2' H 1 4.45 0.05 . . . . . . 31 GUA H2' . 30026 1 211 . 1 1 31 31 G H4' H 1 4.39 0.05 . . . . . . 31 GUA H4' . 30026 1 212 . 1 1 31 31 G H5' H 1 4.00 0.05 . . . . . . 31 GUA H5' . 30026 1 213 . 1 1 31 31 G H5'' H 1 4.44 0.05 . . . . . . 31 GUA H5'' . 30026 1 214 . 1 1 31 31 G C8 C 13 136.15 0.50 . . . . . . 31 GUA C8 . 30026 1 215 . 1 1 31 31 G N1 N 15 148.55 0.50 . . . . . . 31 GUA N1 . 30026 1 216 . 1 1 32 32 C H41 H 1 6.63 0.05 . . . . . . 32 CYT H41 . 30026 1 217 . 1 1 32 32 C H42 H 1 8.03 0.05 . . . . . . 32 CYT H42 . 30026 1 218 . 1 1 32 32 C H5 H 1 5.20 0.05 . . . . . . 32 CYT H5 . 30026 1 219 . 1 1 32 32 C H6 H 1 7.68 0.05 . . . . . . 32 CYT H6 . 30026 1 220 . 1 1 32 32 C H1' H 1 5.78 0.05 . . . . . . 32 CYT H1' . 30026 1 221 . 1 1 32 32 C H2' H 1 4.31 0.05 . . . . . . 32 CYT H2' . 30026 1 222 . 1 1 32 32 C H4' H 1 4.40 0.05 . . . . . . 32 CYT H4' . 30026 1 223 . 1 1 33 33 U H3 H 1 9.45 0.05 . . . . . . 33 URI H3 . 30026 1 224 . 1 1 33 33 U H5 H 1 5.83 0.05 . . . . . . 33 URI H5 . 30026 1 225 . 1 1 33 33 U H6 H 1 7.86 0.05 . . . . . . 33 URI H6 . 30026 1 226 . 1 1 33 33 U H1' H 1 5.89 0.05 . . . . . . 33 URI H1' . 30026 1 227 . 1 1 33 33 U C5 C 13 105.03 0.50 . . . . . . 33 URI C5 . 30026 1 228 . 1 1 33 33 U C6 C 13 143.90 0.50 . . . . . . 33 URI C6 . 30026 1 229 . 1 1 33 33 U C1' C 13 91.55 0.50 . . . . . . 33 URI C1' . 30026 1 230 . 1 1 34 34 G H1 H 1 12.10 0.05 . . . . . . 34 GUA H1 . 30026 1 231 . 1 1 34 34 G H8 H 1 7.82 0.05 . . . . . . 34 GUA H8 . 30026 1 232 . 1 1 34 34 G H1' H 1 5.78 0.05 . . . . . . 34 GUA H1' . 30026 1 233 . 1 1 34 34 G H2' H 1 4.90 0.05 . . . . . . 34 GUA H2' . 30026 1 234 . 1 1 34 34 G H4' H 1 4.56 0.05 . . . . . . 34 GUA H4' . 30026 1 235 . 1 1 34 34 G C8 C 13 137.97 0.50 . . . . . . 34 GUA C8 . 30026 1 236 . 1 1 34 34 G N1 N 15 147.02 0.50 . . . . . . 34 GUA N1 . 30026 1 237 . 1 1 35 35 A H2 H 1 7.81 0.05 . . . . . . 35 ADE H2 . 30026 1 238 . 1 1 35 35 A H8 H 1 7.96 0.05 . . . . . . 35 ADE H8 . 30026 1 239 . 1 1 35 35 A H1' H 1 6.02 0.05 . . . . . . 35 ADE H1' . 30026 1 240 . 1 1 35 35 A H4' H 1 4.56 0.05 . . . . . . 35 ADE H4' . 30026 1 241 . 1 1 35 35 A C2 C 13 153.84 0.50 . . . . . . 35 ADE C2 . 30026 1 242 . 1 1 35 35 A C8 C 13 140.32 0.50 . . . . . . 35 ADE C8 . 30026 1 243 . 1 1 36 36 U H3 H 1 13.81 0.05 . . . . . . 36 URI H3 . 30026 1 244 . 1 1 36 36 U H5 H 1 4.97 0.05 . . . . . . 36 URI H5 . 30026 1 245 . 1 1 36 36 U H6 H 1 7.60 0.05 . . . . . . 36 URI H6 . 30026 1 246 . 1 1 36 36 U H1' H 1 5.55 0.05 . . . . . . 36 URI H1' . 30026 1 247 . 1 1 36 36 U C5 C 13 102.53 0.50 . . . . . . 36 URI C5 . 30026 1 248 . 1 1 36 36 U C6 C 13 141.65 0.50 . . . . . . 36 URI C6 . 30026 1 249 . 1 1 36 36 U C1' C 13 93.34 0.50 . . . . . . 36 URI C1' . 30026 1 250 . 1 1 36 36 U N3 N 15 162.29 0.50 . . . . . . 36 URI N3 . 30026 1 251 . 1 1 37 37 C H41 H 1 6.63 0.05 . . . . . . 37 CYT H41 . 30026 1 252 . 1 1 37 37 C H42 H 1 8.00 0.05 . . . . . . 37 CYT H42 . 30026 1 253 . 1 1 37 37 C H5 H 1 5.51 0.05 . . . . . . 37 CYT H5 . 30026 1 254 . 1 1 37 37 C H6 H 1 7.64 0.05 . . . . . . 37 CYT H6 . 30026 1 255 . 1 1 37 37 C H1' H 1 5.67 0.05 . . . . . . 37 CYT H1' . 30026 1 256 . 1 1 38 38 U H5 H 1 5.53 0.05 . . . . . . 38 URI H5 . 30026 1 257 . 1 1 38 38 U H6 H 1 7.74 0.05 . . . . . . 38 URI H6 . 30026 1 258 . 1 1 38 38 U H1' H 1 5.63 0.05 . . . . . . 38 URI H1' . 30026 1 259 . 1 1 38 38 U C6 C 13 141.28 0.50 . . . . . . 38 URI C6 . 30026 1 260 . 1 1 38 38 U C1' C 13 93.04 0.50 . . . . . . 38 URI C1' . 30026 1 261 . 1 1 39 39 G H1 H 1 11.86 0.05 . . . . . . 39 GUA H1 . 30026 1 262 . 1 1 39 39 G H8 H 1 7.82 0.05 . . . . . . 39 GUA H8 . 30026 1 263 . 1 1 39 39 G H1' H 1 5.73 0.05 . . . . . . 39 GUA H1' . 30026 1 264 . 1 1 39 39 G C8 C 13 137.70 0.50 . . . . . . 39 GUA C8 . 30026 1 265 . 1 1 39 39 G N1 N 15 147.02 0.50 . . . . . . 39 GUA N1 . 30026 1 266 . 1 1 40 40 G H1 H 1 12.48 0.05 . . . . . . 40 GUA H1 . 30026 1 267 . 1 1 40 40 G H8 H 1 7.40 0.05 . . . . . . 40 GUA H8 . 30026 1 268 . 1 1 40 40 G H1' H 1 5.86 0.05 . . . . . . 40 GUA H1' . 30026 1 269 . 1 1 40 40 G C8 C 13 137.27 0.50 . . . . . . 40 GUA C8 . 30026 1 270 . 1 1 40 40 G N1 N 15 147.66 0.50 . . . . . . 40 GUA N1 . 30026 1 271 . 1 1 41 41 C H5 H 1 5.97 0.05 . . . . . . 41 CYT H5 . 30026 1 272 . 1 1 41 41 C H6 H 1 7.76 0.05 . . . . . . 41 CYT H6 . 30026 1 273 . 1 1 41 41 C H1' H 1 5.90 0.05 . . . . . . 41 CYT H1' . 30026 1 274 . 1 1 42 42 U H5 H 1 5.72 0.05 . . . . . . 42 URI H5 . 30026 1 275 . 1 1 42 42 U H6 H 1 7.79 0.05 . . . . . . 42 URI H6 . 30026 1 276 . 1 1 42 42 U H1' H 1 5.75 0.05 . . . . . . 42 URI H1' . 30026 1 277 . 1 1 42 42 U C1' C 13 92.10 0.50 . . . . . . 42 URI C1' . 30026 1 278 . 1 1 43 43 G H1 H 1 12.30 0.05 . . . . . . 43 GUA H1 . 30026 1 279 . 1 1 43 43 G H8 H 1 7.55 0.05 . . . . . . 43 GUA H8 . 30026 1 280 . 1 1 43 43 G H1' H 1 5.81 0.05 . . . . . . 43 GUA H1' . 30026 1 281 . 1 1 43 43 G C8 C 13 138.49 0.50 . . . . . . 43 GUA C8 . 30026 1 282 . 1 1 43 43 G N1 N 15 147.52 0.50 . . . . . . 43 GUA N1 . 30026 1 283 . 1 1 44 44 G H1 H 1 12.98 0.05 . . . . . . 44 GUA H1 . 30026 1 284 . 1 1 44 44 G H8 H 1 7.59 0.05 . . . . . . 44 GUA H8 . 30026 1 285 . 1 1 44 44 G H1' H 1 5.90 0.05 . . . . . . 44 GUA H1' . 30026 1 286 . 1 1 44 44 G C8 C 13 137.75 0.50 . . . . . . 44 GUA C8 . 30026 1 287 . 1 1 44 44 G N1 N 15 148.55 0.50 . . . . . . 44 GUA N1 . 30026 1 288 . 1 1 45 45 C H5 H 1 5.76 0.05 . . . . . . 45 CYT H5 . 30026 1 289 . 1 1 45 45 C H6 H 1 7.79 0.05 . . . . . . 45 CYT H6 . 30026 1 290 . 1 1 45 45 C H1' H 1 5.83 0.05 . . . . . . 45 CYT H1' . 30026 1 291 . 1 1 46 46 U H5 H 1 5.57 0.05 . . . . . . 46 URI H5 . 30026 1 292 . 1 1 46 46 U H6 H 1 7.68 0.05 . . . . . . 46 URI H6 . 30026 1 293 . 1 1 46 46 U H1' H 1 5.95 0.05 . . . . . . 46 URI H1' . 30026 1 294 . 1 1 47 47 A H2 H 1 8.12 0.05 . . . . . . 47 ADE H2 . 30026 1 295 . 1 1 47 47 A H8 H 1 8.34 0.05 . . . . . . 47 ADE H8 . 30026 1 296 . 1 1 47 47 A H1' H 1 6.09 0.05 . . . . . . 47 ADE H1' . 30026 1 297 . 1 1 47 47 A C2 C 13 154.87 0.50 . . . . . . 47 ADE C2 . 30026 1 298 . 1 1 47 47 A C8 C 13 141.90 0.50 . . . . . . 47 ADE C8 . 30026 1 299 . 1 1 48 48 G H1 H 1 12.12 0.05 . . . . . . 48 GUA H1 . 30026 1 300 . 1 1 48 48 G H8 H 1 7.86 0.05 . . . . . . 48 GUA H8 . 30026 1 301 . 1 1 48 48 G H1' H 1 5.61 0.05 . . . . . . 48 GUA H1' . 30026 1 302 . 1 1 48 48 G C8 C 13 137.72 0.50 . . . . . . 48 GUA C8 . 30026 1 303 . 1 1 48 48 G N1 N 15 147.98 0.50 . . . . . . 48 GUA N1 . 30026 1 304 . 1 1 49 49 G H1 H 1 11.11 0.05 . . . . . . 49 GUA H1 . 30026 1 305 . 1 1 49 49 G H8 H 1 7.29 0.05 . . . . . . 49 GUA H8 . 30026 1 306 . 1 1 49 49 G H1' H 1 5.79 0.05 . . . . . . 49 GUA H1' . 30026 1 307 . 1 1 49 49 G C8 C 13 137.00 0.50 . . . . . . 49 GUA C8 . 30026 1 308 . 1 1 49 49 G N1 N 15 145.00 0.50 . . . . . . 49 GUA N1 . 30026 1 309 . 1 1 50 50 C H41 H 1 6.63 0.05 . . . . . . 50 CYT H41 . 30026 1 310 . 1 1 50 50 C H42 H 1 8.05 0.05 . . . . . . 50 CYT H42 . 30026 1 311 . 1 1 50 50 C H5 H 1 5.31 0.05 . . . . . . 50 CYT H5 . 30026 1 312 . 1 1 50 50 C H6 H 1 7.58 0.05 . . . . . . 50 CYT H6 . 30026 1 313 . 1 1 50 50 C H1' H 1 5.60 0.05 . . . . . . 50 CYT H1' . 30026 1 314 . 1 1 51 51 G H1 H 1 10.08 0.05 . . . . . . 51 GUA H1 . 30026 1 315 . 1 1 51 51 G H8 H 1 7.44 0.05 . . . . . . 51 GUA H8 . 30026 1 316 . 1 1 51 51 G H1' H 1 5.74 0.05 . . . . . . 51 GUA H1' . 30026 1 317 . 1 1 51 51 G C8 C 13 137.27 0.50 . . . . . . 51 GUA C8 . 30026 1 318 . 1 1 51 51 G N1 N 15 142.79 0.50 . . . . . . 51 GUA N1 . 30026 1 319 . 1 1 52 52 G H1 H 1 12.48 0.05 . . . . . . 52 GUA H1 . 30026 1 320 . 1 1 52 52 G H8 H 1 7.29 0.05 . . . . . . 52 GUA H8 . 30026 1 321 . 1 1 52 52 G H1' H 1 5.77 0.05 . . . . . . 52 GUA H1' . 30026 1 322 . 1 1 52 52 G C8 C 13 136.48 0.50 . . . . . . 52 GUA C8 . 30026 1 323 . 1 1 52 52 G N1 N 15 147.66 0.50 . . . . . . 52 GUA N1 . 30026 1 324 . 1 1 53 53 G H1 H 1 11.25 0.05 . . . . . . 53 GUA H1 . 30026 1 325 . 1 1 53 53 G H8 H 1 7.16 0.05 . . . . . . 53 GUA H8 . 30026 1 326 . 1 1 53 53 G H1' H 1 5.78 0.05 . . . . . . 53 GUA H1' . 30026 1 327 . 1 1 53 53 G C8 C 13 136.93 0.50 . . . . . . 53 GUA C8 . 30026 1 328 . 1 1 53 53 G N1 N 15 144.80 0.50 . . . . . . 53 GUA N1 . 30026 1 329 . 1 1 54 54 U H3 H 1 14.17 0.05 . . . . . . 54 URI H3 . 30026 1 330 . 1 1 54 54 U H5 H 1 5.18 0.05 . . . . . . 54 URI H5 . 30026 1 331 . 1 1 54 54 U H6 H 1 7.58 0.05 . . . . . . 54 URI H6 . 30026 1 332 . 1 1 54 54 U H1' H 1 5.57 0.05 . . . . . . 54 URI H1' . 30026 1 333 . 1 1 54 54 U C5 C 13 102.91 0.50 . . . . . . 54 URI C5 . 30026 1 334 . 1 1 54 54 U N3 N 15 163.03 0.50 . . . . . . 54 URI N3 . 30026 1 335 . 1 1 55 55 C H41 H 1 6.77 0.05 . . . . . . 55 CYT H41 . 30026 1 336 . 1 1 55 55 C H42 H 1 8.14 0.05 . . . . . . 55 CYT H42 . 30026 1 337 . 1 1 55 55 C H5 H 1 5.63 0.05 . . . . . . 55 CYT H5 . 30026 1 338 . 1 1 55 55 C H6 H 1 7.92 0.05 . . . . . . 55 CYT H6 . 30026 1 339 . 1 1 55 55 C H1' H 1 5.58 0.05 . . . . . . 55 CYT H1' . 30026 1 340 . 1 1 56 56 C H41 H 1 6.82 0.05 . . . . . . 56 CYT H41 . 30026 1 341 . 1 1 56 56 C H42 H 1 8.15 0.05 . . . . . . 56 CYT H42 . 30026 1 342 . 1 1 56 56 C H5 H 1 5.49 0.05 . . . . . . 56 CYT H5 . 30026 1 343 . 1 1 56 56 C H6 H 1 7.78 0.05 . . . . . . 56 CYT H6 . 30026 1 344 . 1 1 56 56 C H1' H 1 5.49 0.05 . . . . . . 56 CYT H1' . 30026 1 345 . 1 1 57 57 C H5 H 1 5.53 0.05 . . . . . . 57 CYT H5 . 30026 1 346 . 1 1 57 57 C H6 H 1 7.72 0.05 . . . . . . 57 CYT H6 . 30026 1 347 . 1 1 57 57 C H1' H 1 5.77 0.05 . . . . . . 57 CYT H1' . 30026 1 stop_ save_