data_15786 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15786 _Entry.Title ; 1H,13C and 15N NMR assignments of duck HBV primer loop of the epsilon encapsidation signal ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-28 _Entry.Accession_date 2008-05-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ramon 'Van der Werf' . M. . 15786 2 Frederic Girard . C. . 15786 3 Frank Nelissen . M. . 15786 4 Marco Tessari . M. . 15786 5 Sybren Wijmenga . S. . 15786 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biophysical Chemistry, IMM, Radboud University Nijmegen' . 15786 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 15786 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 187 15786 '15N chemical shifts' 50 15786 '1H chemical shifts' 285 15786 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 3 . . 2009-08-14 2008-05-28 update BMRB 'added PubMed ID' 15786 2 . . 2008-12-03 2008-05-28 update BMRB 'complete entry citation' 15786 1 . . 2008-09-12 2008-05-28 original author 'original release' 15786 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15786 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636890 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N NMR assignments of Duck HBV primer loop of the encapsidation signal epsilon' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 143 _Citation.Page_last 145 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ramon 'Van der Werf' . M. . 15786 1 2 Frederic Girard . C. . 15786 1 3 Frank Nelissen . . . 15786 1 4 Marco Tessari . . . 15786 1 5 Sybren Wijmenga . S. . 15786 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Duck 15786 1 Epsilon 15786 1 'Hepatitis B Virus' 15786 1 'Primer loop' 15786 1 RNA 15786 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15786 _Assembly.ID 1 _Assembly.Name edhbv _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 primer_loop 1 $EDHBVwt A . yes native no no . . . 15786 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EDHBVwt _Entity.Sf_category entity _Entity.Sf_framecode EDHBVwt _Entity.Entry_ID 15786 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EDHBVwt _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGACGAUCUUUACGUCCGCU UCGGCGGACUGUCGUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . 15786 1 2 . G . 15786 1 3 . A . 15786 1 4 . C . 15786 1 5 . G . 15786 1 6 . A . 15786 1 7 . U . 15786 1 8 . C . 15786 1 9 . U . 15786 1 10 . U . 15786 1 11 . U . 15786 1 12 . A . 15786 1 13 . C . 15786 1 14 . G . 15786 1 15 . U . 15786 1 16 . C . 15786 1 17 . C . 15786 1 18 . G . 15786 1 19 . C . 15786 1 20 . U . 15786 1 21 . U . 15786 1 22 . C . 15786 1 23 . G . 15786 1 24 . G . 15786 1 25 . C . 15786 1 26 . G . 15786 1 27 . G . 15786 1 28 . A . 15786 1 29 . C . 15786 1 30 . U . 15786 1 31 . G . 15786 1 32 . U . 15786 1 33 . C . 15786 1 34 . G . 15786 1 35 . U . 15786 1 36 . C . 15786 1 37 . C . 15786 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 15786 1 . G 2 2 15786 1 . A 3 3 15786 1 . C 4 4 15786 1 . G 5 5 15786 1 . A 6 6 15786 1 . U 7 7 15786 1 . C 8 8 15786 1 . U 9 9 15786 1 . U 10 10 15786 1 . U 11 11 15786 1 . A 12 12 15786 1 . C 13 13 15786 1 . G 14 14 15786 1 . U 15 15 15786 1 . C 16 16 15786 1 . C 17 17 15786 1 . G 18 18 15786 1 . C 19 19 15786 1 . U 20 20 15786 1 . U 21 21 15786 1 . C 22 22 15786 1 . G 23 23 15786 1 . G 24 24 15786 1 . C 25 25 15786 1 . G 26 26 15786 1 . G 27 27 15786 1 . A 28 28 15786 1 . C 29 29 15786 1 . U 30 30 15786 1 . G 31 31 15786 1 . U 32 32 15786 1 . C 33 33 15786 1 . G 34 34 15786 1 . U 35 35 15786 1 . C 36 36 15786 1 . C 37 37 15786 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 15786 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $EDHBVwt . 10407 virus . 'Hepatitis B Virus' 'Hepatitis B Virus' . . Viruses . Orthohepadnavirus 'Hepatitis B Virus' . . . . . . . . . . . . . . . . . . 'Hepatitis B Virus that infects the duck' . . 15786 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 15786 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $EDHBVwt . 'enzymatic semisynthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . 'T7 Polymerase was used to transcribe the RNA' . . 15786 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled(H2O) _Sample.Sf_category sample _Sample.Sf_framecode unlabeled(H2O) _Sample.Entry_ID 15786 _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 EDHBVwt 'natural abundance' . . 1 $EDHBVwt . . 0.19 . . mM 0.01 . . . 15786 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 15786 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.05 . . . 15786 1 stop_ save_ save_labeled(H2O) _Sample.Sf_category sample _Sample.Sf_framecode labeled(H2O) _Sample.Entry_ID 15786 _Sample.ID 2 _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 EDHBVwt '[U-99% 13C; U-99% 15N]' . . 1 $EDHBVwt . . 1.00 . . mM 0.05 . . . 15786 2 2 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.05 . . . 15786 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 15786 2 4 DSS 'natural abundance' . . . . . . 1.5 . . mM 0.05 . . . 15786 2 stop_ save_ save_unlabeled(D2O) _Sample.Sf_category sample _Sample.Sf_framecode unlabeled(D2O) _Sample.Entry_ID 15786 _Sample.ID 3 _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 EDHBVwt 'natural abundance' . . 1 $EDHBVwt . . 0.19 . . mM 0.01 . . . 15786 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 15786 3 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.05 . . . 15786 3 stop_ save_ ####################### # Sample conditions # ####################### save_5C_labelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 5C_labelled _Sample_condition_list.Entry_ID 15786 _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' 23.0 2 mM 15786 1 pH 6.5 0.05 pH 15786 1 pressure 1 . atm 15786 1 temperature 278 1 K 15786 1 stop_ save_ save_15C_labelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 15C_labelled _Sample_condition_list.Entry_ID 15786 _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' 23.0 2 mM 15786 2 pH 6.5 0.05 pH 15786 2 pressure 1 . atm 15786 2 temperature 288 1 K 15786 2 stop_ save_ save_25C_labelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 25C_labelled _Sample_condition_list.Entry_ID 15786 _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' 23.0 2 mM 15786 3 pH 6.5 0.05 pH 15786 3 pressure 1 . atm 15786 3 temperature 298 1 K 15786 3 stop_ save_ save_5C_unlabelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 5C_unlabelled _Sample_condition_list.Entry_ID 15786 _Sample_condition_list.ID 4 _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' 12.0 2 mM 15786 4 pH 6.5 0.05 pH 15786 4 pressure 1 . atm 15786 4 temperature 278 1 K 15786 4 stop_ save_ save_15C_unlabelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 15C_unlabelled _Sample_condition_list.Entry_ID 15786 _Sample_condition_list.ID 5 _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' 12.0 2 mM 15786 5 pH 6.5 0.05 pH 15786 5 pressure 1 . atm 15786 5 temperature 288 1 K 15786 5 stop_ save_ save_25C_unlabelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 25C_unlabelled _Sample_condition_list.Entry_ID 15786 _Sample_condition_list.ID 6 _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' 12.0 2 mM 15786 6 pH 6.5 0.05 pH 15786 6 pressure 1 . atm 15786 6 temperature 298 1 K 15786 6 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15786 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15786 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15786 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15786 _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 . . 15786 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15786 2 collection 15786 2 'peak picking' 15786 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_500 _NMR_spectrometer.Entry_ID 15786 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Varian_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_600 _NMR_spectrometer.Entry_ID 15786 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Varian_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_800 _NMR_spectrometer.Entry_ID 15786 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15786 _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 Varian_500 Varian INOVA . 500 . . . 15786 1 2 Varian_600 Varian INOVA . 600 . . . 15786 1 3 Varian_800 Varian INOVA . 800 . . . 15786 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 15786 _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 $unlabeled(H2O) isotropic . . 5 $15C_unlabelled . . . 1 $Varian_500 . . . . . . . . . . . . . . . . 15786 1 2 '2D HCCH-COSY' no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 3 $25C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 3 '2D H1/3(N1/3)C2' no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 3 $25C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 2 $15C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $unlabeled(D2O) isotropic . . 6 $25C_unlabelled . . . 3 $Varian_800 . . . . . . . . . . . . . . . . 15786 1 6 '2D DQF-COSY' no . . . . . . . . . . 3 $unlabeled(D2O) isotropic . . 6 $25C_unlabelled . . . 3 $Varian_800 . . . . . . . . . . . . . . . . 15786 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 1 $5C_labelled . . . 1 $Varian_500 . . . . . . . . . . . . . . . . 15786 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 2 $15C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 9 H5(C5)C4 no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 2 $15C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 3 $25C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 11 3D-HCN no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 3 $25C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 12 H1/3(N1/3)C4/6 no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 3 $25C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $labeled(H2O) isotropic . . 2 $15C_labelled . . . 2 $Varian_600 . . . . . . . . . . . . . . . . 15786 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15786 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS added for chemical shift referencing' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methylene protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 15786 1 H 1 DSS 'methylene protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 15786 1 N 15 DSS 'methylene protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 15786 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_5C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_5C _Assigned_chem_shift_list.Entry_ID 15786 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $5C_labelled _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 7 '2D 1H-15N HSQC' . . . 15786 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 $NMRPipe . . 15786 1 2 $SPARKY . . 15786 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 15 15 U H3 H 1 14.48 0.01 . 1 . . . . 15 U H3 . 15786 1 2 . 1 1 15 15 U N3 N 15 162.978 0.2 . 1 . . . . 15 U N3 . 15786 1 3 . 1 1 20 20 U H3 H 1 11.863 0.01 . 1 . . . . 20 U H3 . 15786 1 4 . 1 1 20 20 U N3 N 15 159.939 0.2 . 1 . . . . 20 U N3 . 15786 1 5 . 1 1 32 32 U H3 H 1 14.06 0.01 . 1 . . . . 32 U H3 . 15786 1 6 . 1 1 32 32 U N3 N 15 162.583 0.2 . 1 . . . . 32 U N3 . 15786 1 7 . 1 1 35 35 U H3 H 1 14.342 0.01 . 1 . . . . 35 U H3 . 15786 1 8 . 1 1 35 35 U N3 N 15 162.848 0.2 . 1 . . . . 35 U N3 . 15786 1 stop_ save_ save_assigned_chem_shift_list_15C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_15C _Assigned_chem_shift_list.Entry_ID 15786 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $15C_labelled _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 15786 2 4 '2D 1H-15N HSQC' . . . 15786 2 8 '2D 1H-13C HSQC' . . . 15786 2 9 H5(C5)C4 . . . 15786 2 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 $NMRPipe . . 15786 2 2 $SPARKY . . 15786 2 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 12.557 0.01 . 1 . . . . 1 G H1 . 15786 2 2 . 1 1 1 1 G N1 N 15 146.988 0.08 . 1 . . . . 1 G N1 . 15786 2 3 . 1 1 2 2 G H1 H 1 12.405 0.007 . 1 . . . . 2 G H1 . 15786 2 4 . 1 1 2 2 G H8 H 1 7.552 0.01 . 1 . . . . 2 G H8 . 15786 2 5 . 1 1 2 2 G C2 C 13 156.096 0.03 . 1 . . . . 2 G C2 . 15786 2 6 . 1 1 2 2 G C6 C 13 161.445 0.03 . 1 . . . . 2 G C6 . 15786 2 7 . 1 1 2 2 G C8 C 13 136.203 0.03 . 1 . . . . 2 G C8 . 15786 2 8 . 1 1 2 2 G N1 N 15 147.132 0.08 . 1 . . . . 2 G N1 . 15786 2 9 . 1 1 3 3 A H1' H 1 5.985 0.001 . 1 . . . . 3 A H1' . 15786 2 10 . 1 1 3 3 A H2 H 1 7.746 0.002 . 1 . . . . 3 A H2 . 15786 2 11 . 1 1 3 3 A H8 H 1 7.848 0.021 . 1 . . . . 3 A H8 . 15786 2 12 . 1 1 3 3 A C2 C 13 153.821 0.03 . 1 . . . . 3 A C2 . 15786 2 13 . 1 1 3 3 A C8 C 13 139.160 0.03 . 1 . . . . 3 A C8 . 15786 2 14 . 1 1 4 4 C H1' H 1 5.361 0.004 . 1 . . . . 4 C H1' . 15786 2 15 . 1 1 4 4 C H5 H 1 5.185 0.007 . 1 . . . . 4 C H5 . 15786 2 16 . 1 1 4 4 C H6 H 1 7.329 0.009 . 1 . . . . 4 C H6 . 15786 2 17 . 1 1 4 4 C C4 C 13 168.296 0.03 . 1 . . . . 4 C C4 . 15786 2 18 . 1 1 4 4 C C5 C 13 97.808 0.03 . 1 . . . . 4 C C5 . 15786 2 19 . 1 1 4 4 C C6 C 13 140.551 0.03 . 1 . . . . 4 C C6 . 15786 2 20 . 1 1 5 5 G H1 H 1 12.148 0.006 . 1 . . . . 5 G H1 . 15786 2 21 . 1 1 5 5 G H8 H 1 7.467 0.014 . 1 . . . . 5 G H8 . 15786 2 22 . 1 1 5 5 G C2 C 13 155.497 0.03 . 1 . . . . 5 G C2 . 15786 2 23 . 1 1 5 5 G C6 C 13 161.120 0.03 . 1 . . . . 5 G C6 . 15786 2 24 . 1 1 5 5 G C8 C 13 136.312 0.03 . 1 . . . . 5 G C8 . 15786 2 25 . 1 1 5 5 G N1 N 15 146.342 0.08 . 1 . . . . 5 G N1 . 15786 2 26 . 1 1 6 6 A H1' H 1 5.934 0.001 . 1 . . . . 6 A H1' . 15786 2 27 . 1 1 6 6 A H2 H 1 7.817 0.01 . 1 . . . . 6 A H2 . 15786 2 28 . 1 1 6 6 A H8 H 1 7.728 0.001 . 1 . . . . 6 A H8 . 15786 2 29 . 1 1 6 6 A C2 C 13 153.903 0.03 . 1 . . . . 6 A C2 . 15786 2 30 . 1 1 7 7 U H5 H 1 5.398 0.105 . 1 . . . . 7 U H5 . 15786 2 31 . 1 1 7 7 U H6 H 1 7.488 0.01 . 1 . . . . 7 U H6 . 15786 2 32 . 1 1 7 7 U C4 C 13 166.935 0.03 . 1 . . . . 7 U C4 . 15786 2 33 . 1 1 7 7 U C5 C 13 104.261 0.03 . 1 . . . . 7 U C5 . 15786 2 34 . 1 1 7 7 U C6 C 13 140.859 0.03 . 1 . . . . 7 U C6 . 15786 2 35 . 1 1 8 8 C H5 H 1 5.642 0.138 . 1 . . . . 8 C H5 . 15786 2 36 . 1 1 8 8 C H6 H 1 7.678 0.01 . 1 . . . . 8 C H6 . 15786 2 37 . 1 1 8 8 C C5 C 13 97.551 0.03 . 1 . . . . 8 C C5 . 15786 2 38 . 1 1 8 8 C C6 C 13 142.619 0.03 . 1 . . . . 8 C C6 . 15786 2 39 . 1 1 9 9 U H5 H 1 5.73 0.01 . 1 . . . . 9 U H5 . 15786 2 40 . 1 1 9 9 U H6 H 1 7.687 0.01 . 1 . . . . 9 U H6 . 15786 2 41 . 1 1 9 9 U C5 C 13 104.844 0.03 . 1 . . . . 9 U C5 . 15786 2 42 . 1 1 9 9 U C6 C 13 141.776 0.03 . 1 . . . . 9 U C6 . 15786 2 43 . 1 1 10 10 U H5 H 1 5.708 0.148 . 1 . . . . 10 U H5 . 15786 2 44 . 1 1 10 10 U H6 H 1 7.638 0.01 . 5 . . . . 10 U H6 . 15786 2 45 . 1 1 10 10 U C5 C 13 105.085 0.03 . 1 . . . . 10 U C5 . 15786 2 46 . 1 1 10 10 U C6 C 13 143.626 0.03 . 5 . . . . 10 U C6 . 15786 2 47 . 1 1 11 11 U H1' H 1 5.707 0.01 . 1 . . . . 11 U H1' . 15786 2 48 . 1 1 11 11 U H5 H 1 5.627 0.148 . 1 . . . . 11 U H5 . 15786 2 49 . 1 1 11 11 U H6 H 1 7.638 0.01 . 5 . . . . 11 U H6 . 15786 2 50 . 1 1 11 11 U C5 C 13 104.846 0.03 . 1 . . . . 11 U C5 . 15786 2 51 . 1 1 11 11 U C6 C 13 143.626 0.03 . 5 . . . . 11 U C6 . 15786 2 52 . 1 1 12 12 A H1' H 1 5.871 0.01 . 1 . . . . 12 A H1' . 15786 2 53 . 1 1 12 12 A H2 H 1 7.974 0.01 . 1 . . . . 12 A H2 . 15786 2 54 . 1 1 12 12 A H8 H 1 8.246 0.008 . 1 . . . . 12 A H8 . 15786 2 55 . 1 1 12 12 A C2 C 13 154.843 0.03 . 1 . . . . 12 A C2 . 15786 2 56 . 1 1 12 12 A C8 C 13 141.438 0.03 . 1 . . . . 12 A C8 . 15786 2 57 . 1 1 13 13 C H5 H 1 5.756 0.147 . 1 . . . . 13 C H5 . 15786 2 58 . 1 1 13 13 C H6 H 1 7.766 0.01 . 1 . . . . 13 C H6 . 15786 2 59 . 1 1 13 13 C C5 C 13 98.631 0.03 . 1 . . . . 13 C C5 . 15786 2 60 . 1 1 13 13 C C6 C 13 142.623 0.03 . 1 . . . . 13 C C6 . 15786 2 61 . 1 1 14 14 G H1 H 1 13.226 0.006 . 1 . . . . 14 G H1 . 15786 2 62 . 1 1 14 14 G H1' H 1 5.637 0.01 . 1 . . . . 14 G H1' . 15786 2 63 . 1 1 14 14 G H8 H 1 7.743 0.009 . 1 . . . . 14 G H8 . 15786 2 64 . 1 1 14 14 G C2 C 13 156.899 0.03 . 1 . . . . 14 G C2 . 15786 2 65 . 1 1 14 14 G C6 C 13 162.185 0.03 . 1 . . . . 14 G C6 . 15786 2 66 . 1 1 14 14 G C8 C 13 139.331 0.03 . 1 . . . . 14 G C8 . 15786 2 67 . 1 1 14 14 G N1 N 15 148.093 0.08 . 1 . . . . 14 G N1 . 15786 2 68 . 1 1 15 15 U H1' H 1 5.641 0.01 . 1 . . . . 15 U H1' . 15786 2 69 . 1 1 15 15 U H3 H 1 14.53 0.014 . 1 . . . . 15 U H3 . 15786 2 70 . 1 1 15 15 U H5 H 1 5.177 0.002 . 1 . . . . 15 U H5 . 15786 2 71 . 1 1 15 15 U H6 H 1 7.947 0.010 . 1 . . . . 15 U H6 . 15786 2 72 . 1 1 15 15 U C2 C 13 152.997 0.03 . 1 . . . . 15 U C2 . 15786 2 73 . 1 1 15 15 U C4 C 13 169.380 0.03 . 1 . . . . 15 U C4 . 15786 2 74 . 1 1 15 15 U C5 C 13 102.417 0.03 . 1 . . . . 15 U C5 . 15786 2 75 . 1 1 15 15 U C6 C 13 142.334 0.03 . 1 . . . . 15 U C6 . 15786 2 76 . 1 1 15 15 U N3 N 15 163.070 0.08 . 1 . . . . 15 U N3 . 15786 2 77 . 1 1 16 16 C H5 H 1 5.693 0.007 . 1 . . . . 16 C H5 . 15786 2 78 . 1 1 16 16 C H6 H 1 7.913 0.001 . 1 . . . . 16 C H6 . 15786 2 79 . 1 1 16 16 C C5 C 13 97.700 0.03 . 1 . . . . 16 C C5 . 15786 2 80 . 1 1 16 16 C C6 C 13 141.563 0.03 . 1 . . . . 16 C C6 . 15786 2 81 . 1 1 17 17 C H1' H 1 5.452 0.01 . 1 . . . . 17 C H1' . 15786 2 82 . 1 1 17 17 C H5 H 1 5.515 0.01 . 1 . . . . 17 C H5 . 15786 2 83 . 1 1 17 17 C H6 H 1 7.755 0.001 . 1 . . . . 17 C H6 . 15786 2 84 . 1 1 17 17 C C5 C 13 98.233 0.03 . 1 . . . . 17 C C5 . 15786 2 85 . 1 1 17 17 C C6 C 13 140.868 0.03 . 1 . . . . 17 C C6 . 15786 2 86 . 1 1 18 18 G H1 H 1 12.836 0.006 . 1 . . . . 18 G H1 . 15786 2 87 . 1 1 18 18 G H8 H 1 7.617 0.004 . 1 . . . . 18 G H8 . 15786 2 88 . 1 1 18 18 G C6 C 13 161.327 0.03 . 1 . . . . 18 G C6 . 15786 2 89 . 1 1 18 18 G C8 C 13 136.279 0.03 . 1 . . . . 18 G C8 . 15786 2 90 . 1 1 18 18 G N1 N 15 147.518 0.08 . 1 . . . . 18 G N1 . 15786 2 91 . 1 1 19 19 C H1' H 1 5.501 0.014 . 1 . . . . 19 C H1' . 15786 2 92 . 1 1 19 19 C H5 H 1 5.187 0.014 . 1 . . . . 19 C H5 . 15786 2 93 . 1 1 19 19 C H6 H 1 7.479 0.009 . 1 . . . . 19 C H6 . 15786 2 94 . 1 1 19 19 C C5 C 13 97.715 0.03 . 1 . . . . 19 C C5 . 15786 2 95 . 1 1 19 19 C C6 C 13 140.455 0.03 . 1 . . . . 19 C C6 . 15786 2 96 . 1 1 20 20 U H3 H 1 11.747 0.033 . 1 . . . . 20 U H3 . 15786 2 97 . 1 1 20 20 U H5 H 1 5.735 0.01 . 1 . . . . 20 U H5 . 15786 2 98 . 1 1 20 20 U H6 H 1 7.771 0.01 . 1 . . . . 20 U H6 . 15786 2 99 . 1 1 20 20 U C4 C 13 168.127 0.03 . 1 . . . . 20 U C4 . 15786 2 100 . 1 1 20 20 U C5 C 13 105.151 0.03 . 1 . . . . 20 U C5 . 15786 2 101 . 1 1 20 20 U C6 C 13 140.594 0.03 . 1 . . . . 20 U C6 . 15786 2 102 . 1 1 20 20 U N3 N 15 159.881 0.08 . 1 . . . . 20 U N3 . 15786 2 103 . 1 1 21 21 U H1' H 1 6.11 0.009 . 1 . . . . 21 U H1' . 15786 2 104 . 1 1 21 21 U H5 H 1 5.847 0.01 . 1 . . . . 21 U H5 . 15786 2 105 . 1 1 21 21 U H6 H 1 8.012 0.012 . 1 . . . . 21 U H6 . 15786 2 106 . 1 1 21 21 U C4 C 13 168.924 0.03 . 1 . . . . 21 U C4 . 15786 2 107 . 1 1 21 21 U C5 C 13 105.448 0.03 . 1 . . . . 21 U C5 . 15786 2 108 . 1 1 21 21 U C6 C 13 144.663 0.03 . 1 . . . . 21 U C6 . 15786 2 109 . 1 1 22 22 C H1' H 1 5.949 0.004 . 1 . . . . 22 C H1' . 15786 2 110 . 1 1 22 22 C H5 H 1 6.349 0.022 . 1 . . . . 22 C H5 . 15786 2 111 . 1 1 22 22 C H6 H 1 7.684 0.012 . 1 . . . . 22 C H6 . 15786 2 112 . 1 1 22 22 C H41 H 1 5.639 0.001 . 2 . . . . 22 C H41 . 15786 2 113 . 1 1 22 22 C H42 H 1 6.609 0.01 . 2 . . . . 22 C H42 . 15786 2 114 . 1 1 22 22 C C4 C 13 168.115 0.03 . 1 . . . . 22 C C4 . 15786 2 115 . 1 1 22 22 C C5 C 13 98.624 0.03 . 1 . . . . 22 C C5 . 15786 2 116 . 1 1 22 22 C C6 C 13 142.850 0.03 . 1 . . . . 22 C C6 . 15786 2 117 . 1 1 23 23 G H1 H 1 9.872 0.013 . 1 . . . . 23 G H1 . 15786 2 118 . 1 1 23 23 G H8 H 1 7.86 0.009 . 1 . . . . 23 G H8 . 15786 2 119 . 1 1 23 23 G C2 C 13 155.636 0.03 . 1 . . . . 23 G C2 . 15786 2 120 . 1 1 23 23 G C6 C 13 161.596 0.03 . 1 . . . . 23 G C6 . 15786 2 121 . 1 1 23 23 G C8 C 13 142.905 0.03 . 1 . . . . 23 G C8 . 15786 2 122 . 1 1 23 23 G N1 N 15 143.201 0.08 . 1 . . . . 23 G N1 . 15786 2 123 . 1 1 24 24 G H1 H 1 13.401 0.011 . 1 . . . . 24 G H1 . 15786 2 124 . 1 1 24 24 G H8 H 1 8.291 0.009 . 1 . . . . 24 G H8 . 15786 2 125 . 1 1 24 24 G C2 C 13 157.026 0.03 . 1 . . . . 24 G C2 . 15786 2 126 . 1 1 24 24 G C6 C 13 162.394 0.03 . 1 . . . . 24 G C6 . 15786 2 127 . 1 1 24 24 G C8 C 13 138.760 0.03 . 1 . . . . 24 G C8 . 15786 2 128 . 1 1 24 24 G N1 N 15 148.149 0.08 . 1 . . . . 24 G N1 . 15786 2 129 . 1 1 25 25 C H1' H 1 5.502 0.01 . 1 . . . . 25 C H1' . 15786 2 130 . 1 1 25 25 C H5 H 1 5.225 0.002 . 1 . . . . 25 C H5 . 15786 2 131 . 1 1 25 25 C H6 H 1 7.651 0.024 . 1 . . . . 25 C H6 . 15786 2 132 . 1 1 25 25 C H41 H 1 6.702 0.025 . 2 . . . . 25 C H41 . 15786 2 133 . 1 1 25 25 C H42 H 1 8.56 0.017 . 2 . . . . 25 C H42 . 15786 2 134 . 1 1 25 25 C C4 C 13 168.668 0.03 . 1 . . . . 25 C C4 . 15786 2 135 . 1 1 25 25 C C5 C 13 97.319 0.03 . 1 . . . . 25 C C5 . 15786 2 136 . 1 1 25 25 C C6 C 13 140.749 0.03 . 1 . . . . 25 C C6 . 15786 2 137 . 1 1 26 26 G H1 H 1 12.287 0.007 . 1 . . . . 26 G H1 . 15786 2 138 . 1 1 26 26 G H1' H 1 5.745 0.009 . 1 . . . . 26 G H1' . 15786 2 139 . 1 1 26 26 G H8 H 1 7.523 0.001 . 1 . . . . 26 G H8 . 15786 2 140 . 1 1 26 26 G C2 C 13 155.527 0.03 . 1 . . . . 26 G C2 . 15786 2 141 . 1 1 26 26 G C6 C 13 161.331 0.03 . 1 . . . . 26 G C6 . 15786 2 142 . 1 1 26 26 G N1 N 15 146.771 0.08 . 1 . . . . 26 G N1 . 15786 2 143 . 1 1 27 27 G H1 H 1 12.443 0.013 . 1 . . . . 27 G H1 . 15786 2 144 . 1 1 27 27 G H8 H 1 7.237 0.012 . 1 . . . . 27 G H8 . 15786 2 145 . 1 1 27 27 G C2 C 13 155.976 0.03 . 1 . . . . 27 G C2 . 15786 2 146 . 1 1 27 27 G C6 C 13 161.452 0.03 . 1 . . . . 27 G C6 . 15786 2 147 . 1 1 27 27 G C8 C 13 136.147 0.03 . 1 . . . . 27 G C8 . 15786 2 148 . 1 1 27 27 G N1 N 15 147.314 0.08 . 1 . . . . 27 G N1 . 15786 2 149 . 1 1 28 28 A H1' H 1 6.346 0.008 . 1 . . . . 28 A H1' . 15786 2 150 . 1 1 28 28 A H2 H 1 7.819 0.011 . 1 . . . . 28 A H2 . 15786 2 151 . 1 1 28 28 A H8 H 1 7.769 0.01 . 1 . . . . 28 A H8 . 15786 2 152 . 1 1 28 28 A C2 C 13 154.209 0.03 . 1 . . . . 28 A C2 . 15786 2 153 . 1 1 28 28 A C8 C 13 137.664 0.03 . 1 . . . . 28 A C8 . 15786 2 154 . 1 1 29 29 C H1' H 1 5.448 0.003 . 1 . . . . 29 C H1' . 15786 2 155 . 1 1 29 29 C H5 H 1 5.171 0.007 . 1 . . . . 29 C H5 . 15786 2 156 . 1 1 29 29 C H6 H 1 7.279 0.019 . 1 . . . . 29 C H6 . 15786 2 157 . 1 1 29 29 C H41 H 1 7.005 0.011 . 2 . . . . 29 C H41 . 15786 2 158 . 1 1 29 29 C H42 H 1 8.336 0.009 . 2 . . . . 29 C H42 . 15786 2 159 . 1 1 29 29 C C5 C 13 97.133 0.03 . 1 . . . . 29 C C5 . 15786 2 160 . 1 1 29 29 C C6 C 13 139.925 0.03 . 1 . . . . 29 C C6 . 15786 2 161 . 1 1 30 30 U H1' H 1 5.853 0.01 . 1 . . . . 30 U H1' . 15786 2 162 . 1 1 30 30 U H5 H 1 5.499 0.01 . 1 . . . . 30 U H5 . 15786 2 163 . 1 1 30 30 U H6 H 1 7.717 0.011 . 1 . . . . 30 U H6 . 15786 2 164 . 1 1 30 30 U C4 C 13 168.470 0.03 . 1 . . . . 30 U C4 . 15786 2 165 . 1 1 30 30 U C5 C 13 104.660 0.03 . 1 . . . . 30 U C5 . 15786 2 166 . 1 1 30 30 U C6 C 13 142.452 0.03 . 1 . . . . 30 U C6 . 15786 2 167 . 1 1 31 31 G H8 H 1 7.982 0.01 . 1 . . . . 31 G H8 . 15786 2 168 . 1 1 31 31 G C8 C 13 138.535 0.03 . 1 . . . . 31 G C8 . 15786 2 169 . 1 1 32 32 U H3 H 1 14.191 0.006 . 1 . . . . 32 U H3 . 15786 2 170 . 1 1 32 32 U H5 H 1 5.373 0.104 . 1 . . . . 32 U H5 . 15786 2 171 . 1 1 32 32 U H6 H 1 7.82 0.001 . 1 . . . . 32 U H6 . 15786 2 172 . 1 1 32 32 U C4 C 13 169.147 0.03 . 1 . . . . 32 U C4 . 15786 2 173 . 1 1 32 32 U C5 C 13 103.089 0.03 . 1 . . . . 32 U C5 . 15786 2 174 . 1 1 32 32 U C6 C 13 141.699 0.03 . 1 . . . . 32 U C6 . 15786 2 175 . 1 1 32 32 U N3 N 15 162.734 0.08 . 1 . . . . 32 U N3 . 15786 2 176 . 1 1 33 33 C H5 H 1 5.691 0.007 . 1 . . . . 33 C H5 . 15786 2 177 . 1 1 33 33 C H6 H 1 7.914 0.01 . 1 . . . . 33 C H6 . 15786 2 178 . 1 1 33 33 C H41 H 1 6.856 0.021 . 2 . . . . 33 C H41 . 15786 2 179 . 1 1 33 33 C H42 H 1 8.264 0.041 . 2 . . . . 33 C H42 . 15786 2 180 . 1 1 33 33 C C5 C 13 98.156 0.03 . 1 . . . . 33 C C5 . 15786 2 181 . 1 1 33 33 C C6 C 13 141.345 0.03 . 1 . . . . 33 C C6 . 15786 2 182 . 1 1 34 34 G H1 H 1 12.845 0.009 . 1 . . . . 34 G H1 . 15786 2 183 . 1 1 34 34 G H1' H 1 5.663 0.01 . 1 . . . . 34 G H1' . 15786 2 184 . 1 1 34 34 G H8 H 1 7.6 0.025 . 1 . . . . 34 G H8 . 15786 2 185 . 1 1 34 34 G C2 C 13 156.461 0.03 . 1 . . . . 34 G C2 . 15786 2 186 . 1 1 34 34 G C6 C 13 161.444 0.03 . 1 . . . . 34 G C6 . 15786 2 187 . 1 1 34 34 G C8 C 13 136.881 0.03 . 1 . . . . 34 G C8 . 15786 2 188 . 1 1 34 34 G N1 N 15 147.522 0.08 . 1 . . . . 34 G N1 . 15786 2 189 . 1 1 35 35 U H3 H 1 14.366 0.023 . 1 . . . . 35 U H3 . 15786 2 190 . 1 1 35 35 U H5 H 1 5.062 0.005 . 1 . . . . 35 U H5 . 15786 2 191 . 1 1 35 35 U H6 H 1 7.853 0.01 . 1 . . . . 35 U H6 . 15786 2 192 . 1 1 35 35 U C2 C 13 152.869 0.03 . 1 . . . . 35 U C2 . 15786 2 193 . 1 1 35 35 U C4 C 13 169.156 0.03 . 1 . . . . 35 U C4 . 15786 2 194 . 1 1 35 35 U C5 C 13 102.390 0.03 . 1 . . . . 35 U C5 . 15786 2 195 . 1 1 35 35 U C6 C 13 142.003 0.03 . 1 . . . . 35 U C6 . 15786 2 196 . 1 1 35 35 U N3 N 15 162.873 0.08 . 1 . . . . 35 U N3 . 15786 2 197 . 1 1 36 36 C H5 H 1 5.614 0.144 . 1 . . . . 36 C H5 . 15786 2 198 . 1 1 36 36 C H41 H 1 6.977 0.001 . 2 . . . . 36 C H41 . 15786 2 199 . 1 1 36 36 C H42 H 1 8.463 0.006 . 2 . . . . 36 C H42 . 15786 2 200 . 1 1 36 36 C C5 C 13 97.873 0.03 . 1 . . . . 36 C C5 . 15786 2 201 . 1 1 37 37 C H5 H 1 5.462 0.134 . 1 . . . . 37 C H5 . 15786 2 202 . 1 1 37 37 C C5 C 13 97.881 0.03 . 1 . . . . 37 C C5 . 15786 2 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 44 15786 2 1 49 15786 2 2 46 15786 2 2 51 15786 2 stop_ save_ save_assigned_chem_shift_list_25C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_25C _Assigned_chem_shift_list.Entry_ID 15786 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $25C_labelled _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 HCCH-COSY' . . . 15786 3 3 '2D H1/3(N1/3)C2' . . . 15786 3 5 '2D 1H-1H NOESY' . . . 15786 3 6 '2D DQF-COSY' . . . 15786 3 10 '3D HCCH-TOCSY' . . . 15786 3 11 3D-HCN . . . 15786 3 12 H1/3(N1/3)C4/6 . . . 15786 3 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 $NMRPipe . . 15786 3 2 $SPARKY . . 15786 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.806 0.002 . 1 . . . . 1 G H1' . 15786 3 2 . 1 1 1 1 G H2' H 1 4.931 0.001 . 1 . . . . 1 G H2' . 15786 3 3 . 1 1 1 1 G H4' H 1 4.542 0.002 . 1 . . . . 1 G H4' . 15786 3 4 . 1 1 1 1 G H8 H 1 8.167 0.001 . 1 . . . . 1 G H8 . 15786 3 5 . 1 1 1 1 G C1' C 13 93.023 0.03 . 1 . . . . 1 G C1' . 15786 3 6 . 1 1 1 1 G C2' C 13 75.553 0.03 . 1 . . . . 1 G C2' . 15786 3 7 . 1 1 1 1 G C3' C 13 73.132 0.03 . 1 . . . . 1 G C3' . 15786 3 8 . 1 1 1 1 G C4' C 13 82.243 0.03 . 1 . . . . 1 G C4' . 15786 3 9 . 1 1 1 1 G N9 N 15 169.524 0.08 . 1 . . . . 1 G N9 . 15786 3 10 . 1 1 2 2 G H1' H 1 5.881 0.002 . 1 . . . . 2 G H1' . 15786 3 11 . 1 1 2 2 G H2' H 1 4.897 0.002 . 1 . . . . 2 G H2' . 15786 3 12 . 1 1 2 2 G H4' H 1 4.572 0.005 . 1 . . . . 2 G H4' . 15786 3 13 . 1 1 2 2 G H8 H 1 7.542 0.001 . 1 . . . . 2 G H8 . 15786 3 14 . 1 1 2 2 G C1' C 13 92.906 0.03 . 1 . . . . 2 G C1' . 15786 3 15 . 1 1 2 2 G C2' C 13 75.508 0.03 . 1 . . . . 2 G C2' . 15786 3 16 . 1 1 2 2 G C3' C 13 73.332 0.03 . 1 . . . . 2 G C3' . 15786 3 17 . 1 1 2 2 G C4' C 13 82.525 0.03 . 1 . . . . 2 G C4' . 15786 3 18 . 1 1 2 2 G N9 N 15 169.151 0.08 . 1 . . . . 2 G N9 . 15786 3 19 . 1 1 3 3 A H1' H 1 5.984 0.015 . 1 . . . . 3 A H1' . 15786 3 20 . 1 1 3 3 A H2 H 1 7.757 0.01 . 1 . . . . 3 A H2 . 15786 3 21 . 1 1 3 3 A H2' H 1 4.567 0.005 . 1 . . . . 3 A H2' . 15786 3 22 . 1 1 3 3 A H3' H 1 4.56 0.004 . 1 . . . . 3 A H3' . 15786 3 23 . 1 1 3 3 A H4' H 1 4.496 0.002 . 1 . . . . 3 A H4' . 15786 3 24 . 1 1 3 3 A H8 H 1 7.877 0.001 . 1 . . . . 3 A H8 . 15786 3 25 . 1 1 3 3 A C1' C 13 93.066 0.03 . 1 . . . . 3 A C1' . 15786 3 26 . 1 1 3 3 A C2' C 13 75.643 0.03 . 1 . . . . 3 A C2' . 15786 3 27 . 1 1 3 3 A C3' C 13 72.635 0.03 . 1 . . . . 3 A C3' . 15786 3 28 . 1 1 3 3 A C4' C 13 82.025 0.03 . 1 . . . . 3 A C4' . 15786 3 29 . 1 1 3 3 A N9 N 15 170.653 0.08 . 1 . . . . 3 A N9 . 15786 3 30 . 1 1 4 4 C H1' H 1 5.371 0.003 . 1 . . . . 4 C H1' . 15786 3 31 . 1 1 4 4 C H2' H 1 4.437 0.001 . 1 . . . . 4 C H2' . 15786 3 32 . 1 1 4 4 C H3' H 1 4.361 0.005 . 1 . . . . 4 C H3' . 15786 3 33 . 1 1 4 4 C H4' H 1 4.378 0.002 . 1 . . . . 4 C H4' . 15786 3 34 . 1 1 4 4 C H5 H 1 5.199 0.001 . 1 . . . . 4 C H5 . 15786 3 35 . 1 1 4 4 C H6 H 1 7.337 0.003 . 1 . . . . 4 C H6 . 15786 3 36 . 1 1 4 4 C C1' C 13 93.585 0.03 . 1 . . . . 4 C C1' . 15786 3 37 . 1 1 4 4 C C2' C 13 75.727 0.1 . 1 . . . . 4 C C2' . 15786 3 38 . 1 1 4 4 C C3' C 13 72.703 0.03 . 1 . . . . 4 C C3' . 15786 3 39 . 1 1 4 4 C C4' C 13 81.742 0.03 . 1 . . . . 4 C C4' . 15786 3 40 . 1 1 4 4 C N1 N 15 149.962 0.08 . 1 . . . . 4 C N1 . 15786 3 41 . 1 1 5 5 G H1' H 1 5.671 0.002 . 1 . . . . 5 G H1' . 15786 3 42 . 1 1 5 5 G H2' H 1 4.6 0.001 . 1 . . . . 5 G H2' . 15786 3 43 . 1 1 5 5 G H8 H 1 7.47 0.002 . 1 . . . . 5 G H8 . 15786 3 44 . 1 1 5 5 G N9 N 15 169.103 0.08 . 1 . . . . 5 G N9 . 15786 3 45 . 1 1 6 6 A H1' H 1 5.946 0.001 . 1 . . . . 6 A H1' . 15786 3 46 . 1 1 6 6 A H2 H 1 7.834 0.001 . 1 . . . . 6 A H2 . 15786 3 47 . 1 1 6 6 A H2' H 1 4.535 0.002 . 1 . . . . 6 A H2' . 15786 3 48 . 1 1 6 6 A H4' H 1 4.494 0.008 . 1 . . . . 6 A H4' . 15786 3 49 . 1 1 6 6 A H8 H 1 7.722 0.002 . 1 . . . . 6 A H8 . 15786 3 50 . 1 1 6 6 A C1' C 13 92.584 0.03 . 1 . . . . 6 A C1' . 15786 3 51 . 1 1 6 6 A C2' C 13 75.981 0.03 . 1 . . . . 6 A C2' . 15786 3 52 . 1 1 6 6 A C3' C 13 73.395 0.03 . 1 . . . . 6 A C3' . 15786 3 53 . 1 1 6 6 A C4' C 13 82.767 0.03 . 1 . . . . 6 A C4' . 15786 3 54 . 1 1 6 6 A N9 N 15 170.765 0.08 . 1 . . . . 6 A N9 . 15786 3 55 . 1 1 7 7 U H1' H 1 5.46 0.002 . 1 . . . . 7 U H1' . 15786 3 56 . 1 1 7 7 U H2' H 1 4.149 0.001 . 1 . . . . 7 U H2' . 15786 3 57 . 1 1 7 7 U H3' H 1 4.388 0.006 . 1 . . . . 7 U H3' . 15786 3 58 . 1 1 7 7 U H4' H 1 4.356 0.001 . 1 . . . . 7 U H4' . 15786 3 59 . 1 1 7 7 U H5 H 1 5.369 0.002 . 1 . . . . 7 U H5 . 15786 3 60 . 1 1 7 7 U H6 H 1 7.46 0.004 . 1 . . . . 7 U H6 . 15786 3 61 . 1 1 7 7 U C1' C 13 92.655 0.03 . 1 . . . . 7 U C1' . 15786 3 62 . 1 1 7 7 U C2' C 13 75.893 0.03 . 1 . . . . 7 U C2' . 15786 3 63 . 1 1 7 7 U C3' C 13 73.669 0.03 . 1 . . . . 7 U C3' . 15786 3 64 . 1 1 7 7 U C4' C 13 83.230 0.03 . 1 . . . . 7 U C4' . 15786 3 65 . 1 1 7 7 U C6 C 13 140.944 0.03 . 1 . . . . 7 U C6 . 15786 3 66 . 1 1 7 7 U N1 N 15 144.913 0.08 . 1 . . . . 7 U N1 . 15786 3 67 . 1 1 8 8 C H1' H 1 5.653 0.002 . 1 . . . . 8 C H1' . 15786 3 68 . 1 1 8 8 C H2' H 1 4.184 0.001 . 1 . . . . 8 C H2' . 15786 3 69 . 1 1 8 8 C H5 H 1 5.632 0.001 . 1 . . . . 8 C H5 . 15786 3 70 . 1 1 8 8 C H6 H 1 7.668 0.002 . 1 . . . . 8 C H6 . 15786 3 71 . 1 1 8 8 C N1 N 15 152.417 0.08 . 1 . . . . 8 C N1 . 15786 3 72 . 1 1 9 9 U H1' H 1 5.721 0.003 . 1 . . . . 9 U H1' . 15786 3 73 . 1 1 9 9 U H2' H 1 4.492 0.004 . 1 . . . . 9 U H2' . 15786 3 74 . 1 1 9 9 U H3' H 1 4.492 0.001 . 1 . . . . 9 U H3' . 15786 3 75 . 1 1 9 9 U H4' H 1 4.313 0.001 . 1 . . . . 9 U H4' . 15786 3 76 . 1 1 9 9 U H5 H 1 5.638 0.001 . 1 . . . . 9 U H5 . 15786 3 77 . 1 1 9 9 U H6 H 1 7.694 0.005 . 1 . . . . 9 U H6 . 15786 3 78 . 1 1 9 9 U C1' C 13 91.241 0.03 . 1 . . . . 9 U C1' . 15786 3 79 . 1 1 9 9 U C2' C 13 75.367 0.03 . 4 . . . . 9 U C2' . 15786 3 80 . 1 1 9 9 U C3' C 13 76.057 0.03 . 4 . . . . 9 U C3' . 15786 3 81 . 1 1 9 9 U C4' C 13 84.474 0.03 . 1 . . . . 9 U C4' . 15786 3 82 . 1 1 9 9 U C6 C 13 143.024 0.032 . 1 . . . . 9 U C6 . 15786 3 83 . 1 1 9 9 U N1 N 15 144.524 0.08 . 1 . . . . 9 U N1 . 15786 3 84 . 1 1 10 10 U H1' H 1 5.455 0.001 . 1 . . . . 10 U H1' . 15786 3 85 . 1 1 10 10 U H2' H 1 4.418 0.01 . 1 . . . . 10 U H2' . 15786 3 86 . 1 1 10 10 U H3' H 1 3.981 0.01 . 1 . . . . 10 U H3' . 15786 3 87 . 1 1 10 10 U H5 H 1 5.73 0.003 . 1 . . . . 10 U H5 . 15786 3 88 . 1 1 10 10 U H6 H 1 7.626 0.005 . 5 . . . . 10 U H6 . 15786 3 89 . 1 1 10 10 U C6 C 13 143.801 0.1 . 5 . . . . 10 U C6 . 15786 3 90 . 1 1 11 11 U H1' H 1 5.709 0.001 . 1 . . . . 11 U H1' . 15786 3 91 . 1 1 11 11 U H2' H 1 4.224 0.003 . 1 . . . . 11 U H2' . 15786 3 92 . 1 1 11 11 U H3' H 1 4.513 0.002 . 1 . . . . 11 U H3' . 15786 3 93 . 1 1 11 11 U H4' H 1 4.269 0.001 . 1 . . . . 11 U H4' . 15786 3 94 . 1 1 11 11 U H5 H 1 5.648 0.01 . 1 . . . . 11 U H5 . 15786 3 95 . 1 1 11 11 U H6 H 1 7.63 0.002 . 5 . . . . 11 U H6 . 15786 3 96 . 1 1 11 11 U C1' C 13 90.772 0.03 . 1 . . . . 11 U C1' . 15786 3 97 . 1 1 11 11 U C2' C 13 75.618 0.03 . 1 . . . . 11 U C2' . 15786 3 98 . 1 1 11 11 U C3' C 13 76.771 0.03 . 1 . . . . 11 U C3' . 15786 3 99 . 1 1 11 11 U C4' C 13 84.934 0.03 . 1 . . . . 11 U C4' . 15786 3 100 . 1 1 11 11 U C6 C 13 143.632 0.1 . 5 . . . . 11 U C6 . 15786 3 101 . 1 1 11 11 U N1 N 15 144.037 0.08 . 1 . . . . 11 U N1 . 15786 3 102 . 1 1 12 12 A H1' H 1 5.875 0.001 . 1 . . . . 12 A H1' . 15786 3 103 . 1 1 12 12 A H2 H 1 7.955 0.001 . 1 . . . . 12 A H2 . 15786 3 104 . 1 1 12 12 A H2' H 1 4.774 0.002 . 1 . . . . 12 A H2' . 15786 3 105 . 1 1 12 12 A H4' H 1 4.432 0.002 . 1 . . . . 12 A H4' . 15786 3 106 . 1 1 12 12 A H8 H 1 8.242 0.001 . 1 . . . . 12 A H8 . 15786 3 107 . 1 1 12 12 A N9 N 15 168.985 0.08 . 1 . . . . 12 A N9 . 15786 3 108 . 1 1 13 13 C H1' H 1 5.866 0.002 . 1 . . . . 13 C H1' . 15786 3 109 . 1 1 13 13 C H2' H 1 4.527 0.002 . 1 . . . . 13 C H2' . 15786 3 110 . 1 1 13 13 C H5 H 1 5.738 0.002 . 1 . . . . 13 C H5 . 15786 3 111 . 1 1 13 13 C H6 H 1 7.751 0.001 . 1 . . . . 13 C H6 . 15786 3 112 . 1 1 13 13 C N1 N 15 151.447 0.08 . 1 . . . . 13 C N1 . 15786 3 113 . 1 1 14 14 G H1' H 1 5.575 0.001 . 1 . . . . 14 G H1' . 15786 3 114 . 1 1 14 14 G H2' H 1 4.577 0.001 . 1 . . . . 14 G H2' . 15786 3 115 . 1 1 14 14 G H4' H 1 4.521 0.01 . 1 . . . . 14 G H4' . 15786 3 116 . 1 1 14 14 G H8 H 1 7.747 0.01 . 1 . . . . 14 G H8 . 15786 3 117 . 1 1 14 14 G N1 N 15 153.363 0.08 . 1 . . . . 14 G N1 . 15786 3 118 . 1 1 15 15 U H1' H 1 5.653 0.002 . 1 . . . . 15 U H1' . 15786 3 119 . 1 1 15 15 U H2' H 1 4.563 0.01 . 1 . . . . 15 U H2' . 15786 3 120 . 1 1 15 15 U H5 H 1 5.179 0.001 . 1 . . . . 15 U H5 . 15786 3 121 . 1 1 15 15 U H6 H 1 7.957 0.002 . 1 . . . . 15 U H6 . 15786 3 122 . 1 1 15 15 U C6 C 13 142.357 0.006 . 1 . . . . 15 U C6 . 15786 3 123 . 1 1 15 15 U N1 N 15 145.004 0.08 . 1 . . . . 15 U N1 . 15786 3 124 . 1 1 16 16 C H1' H 1 5.629 0.002 . 1 . . . . 16 C H1' . 15786 3 125 . 1 1 16 16 C H2' H 1 4.364 0.001 . 1 . . . . 16 C H2' . 15786 3 126 . 1 1 16 16 C H5 H 1 5.694 0.001 . 1 . . . . 16 C H5 . 15786 3 127 . 1 1 16 16 C H6 H 1 7.911 0.002 . 1 . . . . 16 C H6 . 15786 3 128 . 1 1 16 16 C N1 N 15 151.789 0.08 . 1 . . . . 16 C N1 . 15786 3 129 . 1 1 17 17 C H1' H 1 5.457 0.001 . 1 . . . . 17 C H1' . 15786 3 130 . 1 1 17 17 C H2' H 1 4.504 0.001 . 1 . . . . 17 C H2' . 15786 3 131 . 1 1 17 17 C H3' H 1 4.417 0.003 . 1 . . . . 17 C H3' . 15786 3 132 . 1 1 17 17 C H4' H 1 4.419 0.002 . 1 . . . . 17 C H4' . 15786 3 133 . 1 1 17 17 C H5 H 1 5.512 0.002 . 1 . . . . 17 C H5 . 15786 3 134 . 1 1 17 17 C H6 H 1 7.75 0.002 . 1 . . . . 17 C H6 . 15786 3 135 . 1 1 17 17 C C1' C 13 93.847 0.03 . 1 . . . . 17 C C1' . 15786 3 136 . 1 1 17 17 C C2' C 13 75.507 0.03 . 1 . . . . 17 C C2' . 15786 3 137 . 1 1 17 17 C C3' C 13 72.580 0.03 . 1 . . . . 17 C C3' . 15786 3 138 . 1 1 17 17 C C4' C 13 81.843 0.03 . 1 . . . . 17 C C4' . 15786 3 139 . 1 1 18 18 G H1' H 1 5.71 0.002 . 1 . . . . 18 G H1' . 15786 3 140 . 1 1 18 18 G H2' H 1 4.534 0.002 . 1 . . . . 18 G H2' . 15786 3 141 . 1 1 18 18 G H3' H 1 4.518 0.008 . 1 . . . . 18 G H3' . 15786 3 142 . 1 1 18 18 G H4' H 1 4.471 0.01 . 1 . . . . 18 G H4' . 15786 3 143 . 1 1 18 18 G H8 H 1 7.614 0.002 . 1 . . . . 18 G H8 . 15786 3 144 . 1 1 18 18 G C1' C 13 92.922 0.03 . 1 . . . . 18 G C1' . 15786 3 145 . 1 1 18 18 G C2' C 13 75.415 0.03 . 1 . . . . 18 G C2' . 15786 3 146 . 1 1 18 18 G C3' C 13 72.894 0.03 . 1 . . . . 18 G C3' . 15786 3 147 . 1 1 18 18 G C4' C 13 82.039 0.03 . 1 . . . . 18 G C4' . 15786 3 148 . 1 1 18 18 G N9 N 15 168.951 0.08 . 1 . . . . 18 G N9 . 15786 3 149 . 1 1 19 19 C H1' H 1 5.494 0.001 . 1 . . . . 19 C H1' . 15786 3 150 . 1 1 19 19 C H2' H 1 4.483 0.004 . 1 . . . . 19 C H2' . 15786 3 151 . 1 1 19 19 C H3' H 1 4.258 0.002 . 1 . . . . 19 C H3' . 15786 3 152 . 1 1 19 19 C H4' H 1 4.271 0.009 . 1 . . . . 19 C H4' . 15786 3 153 . 1 1 19 19 C H5 H 1 5.178 0.001 . 1 . . . . 19 C H5 . 15786 3 154 . 1 1 19 19 C H6 H 1 7.481 0.002 . 1 . . . . 19 C H6 . 15786 3 155 . 1 1 19 19 C C1' C 13 93.871 0.03 . 1 . . . . 19 C C1' . 15786 3 156 . 1 1 19 19 C C2' C 13 75.469 0.03 . 1 . . . . 19 C C2' . 15786 3 157 . 1 1 19 19 C C3' C 13 71.763 0.03 . 1 . . . . 19 C C3' . 15786 3 158 . 1 1 19 19 C C4' C 13 81.865 0.03 . 1 . . . . 19 C C4' . 15786 3 159 . 1 1 19 19 C N1 N 15 150.243 0.08 . 1 . . . . 19 C N1 . 15786 3 160 . 1 1 20 20 U H1' H 1 5.65 0.001 . 1 . . . . 20 U H1' . 15786 3 161 . 1 1 20 20 U H2' H 1 3.779 0.001 . 1 . . . . 20 U H2' . 15786 3 162 . 1 1 20 20 U H3' H 1 4.528 0.001 . 1 . . . . 20 U H3' . 15786 3 163 . 1 1 20 20 U H4' H 1 4.366 0.004 . 1 . . . . 20 U H4' . 15786 3 164 . 1 1 20 20 U H5 H 1 5.735 0.002 . 1 . . . . 20 U H5 . 15786 3 165 . 1 1 20 20 U H6 H 1 7.763 0.006 . 1 . . . . 20 U H6 . 15786 3 166 . 1 1 20 20 U C1' C 13 94.563 0.03 . 1 . . . . 20 U C1' . 15786 3 167 . 1 1 20 20 U C2' C 13 76.010 0.03 . 1 . . . . 20 U C2' . 15786 3 168 . 1 1 20 20 U C3' C 13 73.176 0.03 . 1 . . . . 20 U C3' . 15786 3 169 . 1 1 20 20 U C4' C 13 82.375 0.03 . 1 . . . . 20 U C4' . 15786 3 170 . 1 1 20 20 U C6 C 13 140.648 0.016 . 1 . . . . 20 U C6 . 15786 3 171 . 1 1 20 20 U N1 N 15 146.872 0.08 . 1 . . . . 20 U N1 . 15786 3 172 . 1 1 21 21 U H1' H 1 6.095 0.001 . 1 . . . . 21 U H1' . 15786 3 173 . 1 1 21 21 U H2' H 1 4.664 0.001 . 1 . . . . 21 U H2' . 15786 3 174 . 1 1 21 21 U H3' H 1 4.014 0.01 . 1 . . . . 21 U H3' . 15786 3 175 . 1 1 21 21 U H4' H 1 4.477 0.01 . 1 . . . . 21 U H4' . 15786 3 176 . 1 1 21 21 U H5 H 1 5.856 0.001 . 1 . . . . 21 U H5 . 15786 3 177 . 1 1 21 21 U H5' H 1 4.017 0.002 . 1 . . . . 21 U H5' . 15786 3 178 . 1 1 21 21 U H6 H 1 8.026 0.007 . 1 . . . . 21 U H6 . 15786 3 179 . 1 1 21 21 U C1' C 13 89.228 0.03 . 1 . . . . 21 U C1' . 15786 3 180 . 1 1 21 21 U C2' C 13 74.625 0.1 . 1 . . . . 21 U C2' . 15786 3 181 . 1 1 21 21 U C3' C 13 77.777 0.03 . 1 . . . . 21 U C3' . 15786 3 182 . 1 1 21 21 U C4' C 13 86.958 0.03 . 1 . . . . 21 U C4' . 15786 3 183 . 1 1 21 21 U C6 C 13 144.688 0.014 . 1 . . . . 21 U C6 . 15786 3 184 . 1 1 21 21 U N1 N 15 143.884 0.08 . 1 . . . . 21 U N1 . 15786 3 185 . 1 1 22 22 C H1' H 1 5.956 0.001 . 1 . . . . 22 C H1' . 15786 3 186 . 1 1 22 22 C H2' H 1 4.094 0.001 . 1 . . . . 22 C H2' . 15786 3 187 . 1 1 22 22 C H3' H 1 4.476 0.002 . 1 . . . . 22 C H3' . 15786 3 188 . 1 1 22 22 C H4' H 1 3.779 0.003 . 1 . . . . 22 C H4' . 15786 3 189 . 1 1 22 22 C H5 H 1 6.13 0.002 . 1 . . . . 22 C H5 . 15786 3 190 . 1 1 22 22 C H5' H 1 2.698 0.01 . 1 . . . . 22 C H5' . 15786 3 191 . 1 1 22 22 C H6 H 1 7.687 0.001 . 1 . . . . 22 C H6 . 15786 3 192 . 1 1 22 22 C C1' C 13 89.087 0.03 . 1 . . . . 22 C C1' . 15786 3 193 . 1 1 22 22 C C2' C 13 77.681 0.03 . 1 . . . . 22 C C2' . 15786 3 194 . 1 1 22 22 C C3' C 13 80.328 0.03 . 1 . . . . 22 C C3' . 15786 3 195 . 1 1 22 22 C C4' C 13 84.403 0.03 . 1 . . . . 22 C C4' . 15786 3 196 . 1 1 22 22 C N1 N 15 150.598 0.08 . 1 . . . . 22 C N1 . 15786 3 197 . 1 1 23 23 G H1' H 1 5.958 0.001 . 1 . . . . 23 G H1' . 15786 3 198 . 1 1 23 23 G H2' H 1 4.832 0.001 . 1 . . . . 23 G H2' . 15786 3 199 . 1 1 23 23 G H3' H 1 5.62 0.001 . 1 . . . . 23 G H3' . 15786 3 200 . 1 1 23 23 G H4' H 1 4.399 0.006 . 1 . . . . 23 G H4' . 15786 3 201 . 1 1 23 23 G H8 H 1 7.853 0.001 . 1 . . . . 23 G H8 . 15786 3 202 . 1 1 23 23 G C1' C 13 94.563 0.03 . 1 . . . . 23 G C1' . 15786 3 203 . 1 1 23 23 G C2' C 13 77.366 0.03 . 1 . . . . 23 G C2' . 15786 3 204 . 1 1 23 23 G C3' C 13 75.888 0.03 . 1 . . . . 23 G C3' . 15786 3 205 . 1 1 23 23 G C4' C 13 83.196 0.03 . 1 . . . . 23 G C4' . 15786 3 206 . 1 1 23 23 G N9 N 15 171.682 0.08 . 1 . . . . 23 G N9 . 15786 3 207 . 1 1 24 24 G H1' H 1 4.441 0.004 . 1 . . . . 24 G H1' . 15786 3 208 . 1 1 24 24 G H3' H 1 4.437 0.005 . 1 . . . . 24 G H3' . 15786 3 209 . 1 1 24 24 G H4' H 1 4.384 0.003 . 1 . . . . 24 G H4' . 15786 3 210 . 1 1 24 24 G H5' H 1 4.485 0.002 . 1 . . . . 24 G H5' . 15786 3 211 . 1 1 24 24 G H5'' H 1 4.239 0.008 . 1 . . . . 24 G H5'' . 15786 3 212 . 1 1 24 24 G H8 H 1 8.287 0.001 . 1 . . . . 24 G H8 . 15786 3 213 . 1 1 24 24 G C1' C 13 93.177 0.03 . 1 . . . . 24 G C1' . 15786 3 214 . 1 1 24 24 G C2' C 13 74.575 0.1 . 1 . . . . 24 G C2' . 15786 3 215 . 1 1 24 24 G C3' C 13 75.167 0.03 . 1 . . . . 24 G C3' . 15786 3 216 . 1 1 24 24 G C4' C 13 82.967 0.03 . 1 . . . . 24 G C4' . 15786 3 217 . 1 1 24 24 G N9 N 15 170.284 0.08 . 1 . . . . 24 G N9 . 15786 3 218 . 1 1 25 25 C H1' H 1 5.528 0.001 . 1 . . . . 25 C H1' . 15786 3 219 . 1 1 25 25 C H2' H 1 4.613 0.001 . 1 . . . . 25 C H2' . 15786 3 220 . 1 1 25 25 C H3' H 1 4.479 0.003 . 1 . . . . 25 C H3' . 15786 3 221 . 1 1 25 25 C H4' H 1 4.36 0.002 . 1 . . . . 25 C H4' . 15786 3 222 . 1 1 25 25 C H5 H 1 5.242 0.001 . 1 . . . . 25 C H5 . 15786 3 223 . 1 1 25 25 C H6 H 1 7.63 0.002 . 1 . . . . 25 C H6 . 15786 3 224 . 1 1 25 25 C C1' C 13 93.824 0.03 . 1 . . . . 25 C C1' . 15786 3 225 . 1 1 25 25 C C2' C 13 75.594 0.03 . 1 . . . . 25 C C2' . 15786 3 226 . 1 1 25 25 C C3' C 13 72.203 0.03 . 1 . . . . 25 C C3' . 15786 3 227 . 1 1 25 25 C C4' C 13 81.745 0.03 . 1 . . . . 25 C C4' . 15786 3 228 . 1 1 25 25 C N1 N 15 150.923 0.08 . 1 . . . . 25 C N1 . 15786 3 229 . 1 1 26 26 G H1' H 1 5.76 0.001 . 1 . . . . 26 G H1' . 15786 3 230 . 1 1 26 26 G H2' H 1 4.642 0.001 . 1 . . . . 26 G H2' . 15786 3 231 . 1 1 26 26 G H8 H 1 7.529 0.001 . 1 . . . . 26 G H8 . 15786 3 232 . 1 1 26 26 G N9 N 15 170.000 0.08 . 1 . . . . 26 G N9 . 15786 3 233 . 1 1 27 27 G H1' H 1 5.704 0.001 . 1 . . . . 27 G H1' . 15786 3 234 . 1 1 27 27 G H2' H 1 4.577 0.01 . 1 . . . . 27 G H2' . 15786 3 235 . 1 1 27 27 G H8 H 1 7.235 0.001 . 1 . . . . 27 G H8 . 15786 3 236 . 1 1 28 28 A H1' H 1 5.978 0.01 . 1 . . . . 28 A H1' . 15786 3 237 . 1 1 28 28 A H2 H 1 7.834 0.002 . 1 . . . . 28 A H2 . 15786 3 238 . 1 1 28 28 A H2' H 1 4.575 0.002 . 1 . . . . 28 A H2' . 15786 3 239 . 1 1 28 28 A H8 H 1 7.77 0.001 . 1 . . . . 28 A H8 . 15786 3 240 . 1 1 28 28 A C1' C 13 92.692 0.03 . 1 . . . . 28 A C1' . 15786 3 241 . 1 1 28 28 A N9 N 15 170.611 0.08 . 1 . . . . 28 A N9 . 15786 3 242 . 1 1 29 29 C H1' H 1 5.468 0.001 . 1 . . . . 29 C H1' . 15786 3 243 . 1 1 29 29 C H2' H 1 4.251 0.001 . 1 . . . . 29 C H2' . 15786 3 244 . 1 1 29 29 C H5 H 1 5.176 0.002 . 1 . . . . 29 C H5 . 15786 3 245 . 1 1 29 29 C H6 H 1 7.282 0.002 . 1 . . . . 29 C H6 . 15786 3 246 . 1 1 29 29 C N1 N 15 151.185 0.08 . 1 . . . . 29 C N1 . 15786 3 247 . 1 1 30 30 U H1' H 1 5.853 0.001 . 1 . . . . 30 U H1' . 15786 3 248 . 1 1 30 30 U H2' H 1 4.378 0.002 . 1 . . . . 30 U H2' . 15786 3 249 . 1 1 30 30 U H3' H 1 4.62 0.001 . 1 . . . . 30 U H3' . 15786 3 250 . 1 1 30 30 U H4' H 1 4.455 0.01 . 1 . . . . 30 U H4' . 15786 3 251 . 1 1 30 30 U H5 H 1 5.506 0.002 . 1 . . . . 30 U H5 . 15786 3 252 . 1 1 30 30 U H6 H 1 7.706 0.006 . 1 . . . . 30 U H6 . 15786 3 253 . 1 1 30 30 U C1' C 13 90.471 0.03 . 1 . . . . 30 U C1' . 15786 3 254 . 1 1 30 30 U C2' C 13 75.655 0.03 . 1 . . . . 30 U C2' . 15786 3 255 . 1 1 30 30 U C3' C 13 77.208 0.03 . 1 . . . . 30 U C3' . 15786 3 256 . 1 1 30 30 U C4' C 13 85.030 0.03 . 1 . . . . 30 U C4' . 15786 3 257 . 1 1 30 30 U C6 C 13 142.478 0.1 . 1 . . . . 30 U C6 . 15786 3 258 . 1 1 30 30 U N1 N 15 143.955 0.08 . 1 . . . . 30 U N1 . 15786 3 259 . 1 1 31 31 G H1' H 1 5.788 0.01 . 1 . . . . 31 G H1' . 15786 3 260 . 1 1 31 31 G H2' H 1 4.756 0.002 . 1 . . . . 31 G H2' . 15786 3 261 . 1 1 31 31 G H8 H 1 7.952 0.001 . 1 . . . . 31 G H8 . 15786 3 262 . 1 1 31 31 G C1' C 13 90.215 0.03 . 1 . . . . 31 G C1' . 15786 3 263 . 1 1 31 31 G N9 N 15 168.623 0.08 . 1 . . . . 31 G N9 . 15786 3 264 . 1 1 32 32 U H1' H 1 5.565 0.01 . 1 . . . . 32 U H1' . 15786 3 265 . 1 1 32 32 U H2' H 1 4.45 0.001 . 1 . . . . 32 U H2' . 15786 3 266 . 1 1 32 32 U H5 H 1 5.354 0.001 . 1 . . . . 32 U H5 . 15786 3 267 . 1 1 32 32 U H6 H 1 7.822 0.002 . 1 . . . . 32 U H6 . 15786 3 268 . 1 1 32 32 U C6 C 13 141.745 0.03 . 1 . . . . 32 U C6 . 15786 3 269 . 1 1 32 32 U N1 N 15 146.808 0.08 . 1 . . . . 32 U N1 . 15786 3 270 . 1 1 33 33 C H1' H 1 5.628 0.002 . 1 . . . . 33 C H1' . 15786 3 271 . 1 1 33 33 C H2' H 1 4.575 0.002 . 1 . . . . 33 C H2' . 15786 3 272 . 1 1 33 33 C H5 H 1 5.714 0.003 . 1 . . . . 33 C H5 . 15786 3 273 . 1 1 33 33 C H6 H 1 7.913 0.001 . 1 . . . . 33 C H6 . 15786 3 274 . 1 1 33 33 C N1 N 15 150.698 0.08 . 1 . . . . 33 C N1 . 15786 3 275 . 1 1 34 34 G H1' H 1 5.677 0.001 . 1 . . . . 34 G H1' . 15786 3 276 . 1 1 34 34 G H2' H 1 4.453 0.002 . 1 . . . . 34 G H2' . 15786 3 277 . 1 1 34 34 G H8 H 1 7.596 0.002 . 1 . . . . 34 G H8 . 15786 3 278 . 1 1 34 34 G C1' C 13 93.230 0.03 . 1 . . . . 34 G C1' . 15786 3 279 . 1 1 34 34 G C2' C 13 75.310 0.03 . 1 . . . . 34 G C2' . 15786 3 280 . 1 1 34 34 G C3' C 13 73.274 0.03 . 1 . . . . 34 G C3' . 15786 3 281 . 1 1 34 34 G C4' C 13 82.284 0.03 . 1 . . . . 34 G C4' . 15786 3 282 . 1 1 35 35 U H1' H 1 5.549 0.003 . 1 . . . . 35 U H1' . 15786 3 283 . 1 1 35 35 U H2' H 1 4.454 0.001 . 1 . . . . 35 U H2' . 15786 3 284 . 1 1 35 35 U H3' H 1 4.503 0.005 . 1 . . . . 35 U H3' . 15786 3 285 . 1 1 35 35 U H5 H 1 5.069 0.001 . 1 . . . . 35 U H5 . 15786 3 286 . 1 1 35 35 U H6 H 1 7.845 0.004 . 1 . . . . 35 U H6 . 15786 3 287 . 1 1 35 35 U C1' C 13 93.782 0.03 . 1 . . . . 35 U C1' . 15786 3 288 . 1 1 35 35 U C2' C 13 75.315 0.03 . 1 . . . . 35 U C2' . 15786 3 289 . 1 1 35 35 U C3' C 13 72.158 0.03 . 1 . . . . 35 U C3' . 15786 3 290 . 1 1 35 35 U C4' C 13 82.121 0.03 . 1 . . . . 35 U C4' . 15786 3 291 . 1 1 35 35 U C6 C 13 142.026 0.048 . 1 . . . . 35 U C6 . 15786 3 292 . 1 1 35 35 U N1 N 15 146.797 0.08 . 1 . . . . 35 U N1 . 15786 3 293 . 1 1 36 36 C H1' H 1 5.59 0.01 . 1 . . . . 36 C H1' . 15786 3 294 . 1 1 36 36 C H2' H 1 4.353 0.013 . 1 . . . . 36 C H2' . 15786 3 295 . 1 1 36 36 C H3' H 1 4.462 0.001 . 1 . . . . 36 C H3' . 15786 3 296 . 1 1 36 36 C H5 H 1 5.598 0.01 . 1 . . . . 36 C H5 . 15786 3 297 . 1 1 36 36 C H6 H 1 7.897 0.001 . 1 . . . . 36 C H6 . 15786 3 298 . 1 1 36 36 C C1' C 13 94.024 0.03 . 1 . . . . 36 C C1' . 15786 3 299 . 1 1 36 36 C C2' C 13 75.716 0.03 . 1 . . . . 36 C C2' . 15786 3 300 . 1 1 36 36 C C3' C 13 72.551 0.03 . 1 . . . . 36 C C3' . 15786 3 301 . 1 1 36 36 C C4' C 13 81.856 0.03 . 1 . . . . 36 C C4' . 15786 3 302 . 1 1 36 36 C N1 N 15 151.497 0.08 . 1 . . . . 36 C N1 . 15786 3 303 . 1 1 37 37 C H1' H 1 5.651 0.01 . 1 . . . . 37 C H1' . 15786 3 304 . 1 1 37 37 C H2' H 1 3.894 0.01 . 1 . . . . 37 C H2' . 15786 3 305 . 1 1 37 37 C H3' H 1 4.119 0.01 . 1 . . . . 37 C H3' . 15786 3 306 . 1 1 37 37 C H4' H 1 4.118 0.001 . 1 . . . . 37 C H4' . 15786 3 307 . 1 1 37 37 C H5 H 1 5.437 0.001 . 1 . . . . 37 C H5 . 15786 3 308 . 1 1 37 37 C H6 H 1 7.641 0.003 . 1 . . . . 37 C H6 . 15786 3 309 . 1 1 37 37 C C1' C 13 92.795 0.03 . 1 . . . . 37 C C1' . 15786 3 310 . 1 1 37 37 C C2' C 13 77.520 0.03 . 1 . . . . 37 C C2' . 15786 3 311 . 1 1 37 37 C C3' C 13 69.988 0.03 . 1 . . . . 37 C C3' . 15786 3 312 . 1 1 37 37 C C4' C 13 83.746 0.03 . 1 . . . . 37 C C4' . 15786 3 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 88 15786 3 1 95 15786 3 2 79 15786 3 2 80 15786 3 3 89 15786 3 3 100 15786 3 stop_ save_