data_26842 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26842 _Entry.Title ; NMR resonance assignments for the tetramethylrhodamine binding RNA aptamer 3 in complex with the ligand 5-carboxy-tetramethylrhodamine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-01 _Entry.Accession_date 2016-07-01 _Entry.Last_release_date 2016-10-13 _Entry.Original_release_date 2016-10-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shift assignment of an aptamer binding to tetramethylrhodamine' _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 Duchardt-Ferner Elke . . . . 26842 2 Michael Juen . . . . 26842 3 Christoph Kreutz . . . . 26842 4 Jens Wohnert . . . . 26842 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Goethe University, Frankfurt' . 26842 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26842 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 26842 '15N chemical shifts' 157 26842 '1H chemical shifts' 415 26842 '31P chemical shifts' 3 26842 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-03-14 2016-07-01 update BMRB 'update entry citation' 26842 1 . . 2016-10-13 2016-07-01 original author 'original release' 26842 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26842 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27730489 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments for the tetramethylrhodamine binding RNA aptamer 3 in complex with the ligand 5-carboxy-tetramethylrhodamine ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _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 29 _Citation.Page_last 34 _Citation.Year 2017 _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 Elke Duchardt-Ferner . . . . 26842 1 2 Michael Juen . . . . 26842 1 3 Christoph Kreutz . . . . 26842 1 4 Jens Wohnert . . . . 26842 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26842 _Assembly.ID 1 _Assembly.Name TMR-3_48nt-5-TAMRA _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'ligand 5-carboxy-tetramethylrhodamine: C25H22N2O5' _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 TMR-3_48nt 1 $TMR-3_48nt A . yes native no no . . . 26842 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TMR-3_48nt _Entity.Sf_category entity _Entity.Sf_framecode TMR-3_48nt _Entity.Entry_ID 26842 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TMR-3_48nt _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 ; GGACGACUGAACCGAAAGGU UCUUGGCUGCUUCGGCAGAG GUACGUCC ; _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 48 _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 . 26842 1 2 . G . 26842 1 3 . A . 26842 1 4 . C . 26842 1 5 . G . 26842 1 6 . A . 26842 1 7 . C . 26842 1 8 . U . 26842 1 9 . G . 26842 1 10 . A . 26842 1 11 . A . 26842 1 12 . C . 26842 1 13 . C . 26842 1 14 . G . 26842 1 15 . A . 26842 1 16 . A . 26842 1 17 . A . 26842 1 18 . G . 26842 1 19 . G . 26842 1 20 . U . 26842 1 21 . U . 26842 1 22 . C . 26842 1 23 . U . 26842 1 24 . U . 26842 1 25 . G . 26842 1 26 . G . 26842 1 27 . C . 26842 1 28 . U . 26842 1 29 . G . 26842 1 30 . C . 26842 1 31 . U . 26842 1 32 . U . 26842 1 33 . C . 26842 1 34 . G . 26842 1 35 . G . 26842 1 36 . C . 26842 1 37 . A . 26842 1 38 . G . 26842 1 39 . A . 26842 1 40 . G . 26842 1 41 . G . 26842 1 42 . U . 26842 1 43 . A . 26842 1 44 . C . 26842 1 45 . G . 26842 1 46 . U . 26842 1 47 . C . 26842 1 48 . C . 26842 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 26842 1 . G 2 2 26842 1 . A 3 3 26842 1 . C 4 4 26842 1 . G 5 5 26842 1 . A 6 6 26842 1 . C 7 7 26842 1 . U 8 8 26842 1 . G 9 9 26842 1 . A 10 10 26842 1 . A 11 11 26842 1 . C 12 12 26842 1 . C 13 13 26842 1 . G 14 14 26842 1 . A 15 15 26842 1 . A 16 16 26842 1 . A 17 17 26842 1 . G 18 18 26842 1 . G 19 19 26842 1 . U 20 20 26842 1 . U 21 21 26842 1 . C 22 22 26842 1 . U 23 23 26842 1 . U 24 24 26842 1 . G 25 25 26842 1 . G 26 26 26842 1 . C 27 27 26842 1 . U 28 28 26842 1 . G 29 29 26842 1 . C 30 30 26842 1 . U 31 31 26842 1 . U 32 32 26842 1 . C 33 33 26842 1 . G 34 34 26842 1 . G 35 35 26842 1 . C 36 36 26842 1 . A 37 37 26842 1 . G 38 38 26842 1 . A 39 39 26842 1 . G 40 40 26842 1 . G 41 41 26842 1 . U 42 42 26842 1 . A 43 43 26842 1 . C 44 44 26842 1 . G 45 45 26842 1 . U 46 46 26842 1 . C 47 47 26842 1 . C 48 48 26842 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 26842 _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 $TMR-3_48nt . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 26842 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 26842 _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 $TMR-3_48nt . 'reverse transcriptase' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 26842 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled_sample _Sample.Sf_category sample _Sample.Sf_framecode unlabeled_sample _Sample.Entry_ID 26842 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMR-3_48nt 'natural abundance' . . 1 $TMR-3_48nt . . 1.2 . . mM 0.1 . . . 26842 1 2 5-Carboxy-Tetramethylrhodamine 'natural abundance' . . . . . . 1.4 . . mM 0.2 . . . 26842 1 3 D2O 'natural abundance' . . . . . . 5 . . v/v . . . . 26842 1 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26842 1 5 Na-Glutamate 'natural abundance' . . . . . . 130 . . mM . . . . 26842 1 6 H2O 'natural abundance' . . . . . . 95 . . v/v . . . . 26842 1 stop_ save_ save_13C-15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_sample _Sample.Entry_ID 26842 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMR-3_48nt '[U-13C; U-15N]' . . 1 $TMR-3_48nt . . 1.2 . . mM 0.1 . . . 26842 2 2 5-Carboxy-Tetramethylrhodamine 'natural abundance' . . . . . . 1.4 . . mM 0.2 . . . 26842 2 3 D2O 'natural abundance' . . . . . . 5 . . v/v . . . . 26842 2 4 H2O 'natural abundance' . . . . . . 95 . . v/v . . . . 26842 2 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26842 2 6 Na-Glutamate 'natural abundance' . . . . . . 130 . . mM . . . . 26842 2 stop_ save_ save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 26842 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMR-3_48nt [U-15N] . . 1 $TMR-3_48nt . . 1.2 . . mM 0.1 . . . 26842 3 2 5-Carboxy-Tetramethylrhodamine 'natural abundance' . . . . . . 1.4 . . mM 0.2 . . . 26842 3 3 D2O 'natural abundance' . . . . . . 5 . . v/v . . . . 26842 3 4 H2O 'natural abundance' . . . . . . 95 . . v/v . . . . 26842 3 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26842 3 6 K-glutamate 'natural abundance' . . . . . . 130 . . mM . . . . 26842 3 stop_ save_ save_A-C-13C-15N_sample_H2O _Sample.Sf_category sample _Sample.Sf_framecode A-C-13C-15N_sample_H2O _Sample.Entry_ID 26842 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMR-3_48nt '[U-13C; U-15N]-Ade,Cyt' . . 1 $TMR-3_48nt . . 1.2 . . mM 0.1 . . . 26842 4 2 5-Carboxy-Tetramethylrhodamine 'natural abundance' . . . . . . 1.4 . . mM 0.2 . . . 26842 4 3 D2O 'natural abundance' . . . . . . 5 . . v/v . . . . 26842 4 4 H2O 'natural abundance' . . . . . . 95 . . v/v . . . . 26842 4 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26842 4 6 K-glutamate 'natural abundance' . . . . . . 130 . . mM . . . . 26842 4 stop_ save_ save_G-U-13C-15N_sample_H2O _Sample.Sf_category sample _Sample.Sf_framecode G-U-13C-15N_sample_H2O _Sample.Entry_ID 26842 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMR-3_48nt '[U-13C; U-15N]-Gua,Ura' . . 1 $TMR-3_48nt . . 1.2 . . mM 0.1 . . . 26842 5 2 5-Carboxy-Tetramethylrhodamine 'natural abundance' . . . . . . 1.4 . . mM 0.2 . . . 26842 5 3 D2O 'natural abundance' . . . . . . 5 . . v/v . . . . 26842 5 4 H2O 'natural abundance' . . . . . . 95 . . v/v . . . . 26842 5 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26842 5 6 Na-Glutamate 'natural abundance' . . . . . . 130 . . mM . . . . 26842 5 stop_ save_ save_A-C-13C-15N_sample_D2O _Sample.Sf_category sample _Sample.Sf_framecode A-C-13C-15N_sample_D2O _Sample.Entry_ID 26842 _Sample.ID 6 _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 TMR-3_48nt '[U-13C; U-15N]-Ade,Cyt' . . 1 $TMR-3_48nt . . 1.2 . . mM 0.1 . . . 26842 6 2 5-Carboxy-Tetramethylrhodamine 'natural abundance' . . . . . . 1.4 . . mM 0.2 . . . 26842 6 3 D2O 'natural abundance' . . . . . . 100 . . v/v . . . . 26842 6 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26842 6 5 K-glutamate 'natural abundance' . . . . . . 130 . . mM . . . . 26842 6 stop_ save_ save_G-U-13C-15N_sample_D2O _Sample.Sf_category sample _Sample.Sf_framecode G-U-13C-15N_sample_D2O _Sample.Entry_ID 26842 _Sample.ID 7 _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 TMR-3_48nt '[U-13C; U-15N]-Gua,Ura' . . 1 $TMR-3_48nt . . 1.2 . . mM 0.1 . . . 26842 7 2 5-Carboxy-Tetramethylrhodamine 'natural abundance' . . . . . . 1.4 . . mM 0.2 . . . 26842 7 3 D2O 'natural abundance' . . . . . . 100 . . v/v . . . . 26842 7 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26842 7 5 Na-Glutamate 'natural abundance' . . . . . . 130 . . mM . . . . 26842 7 stop_ save_ ####################### # Sample conditions # ####################### save_283K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 283K _Sample_condition_list.Entry_ID 26842 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.41 . M 26842 1 pH 7.5 . pH 26842 1 pressure 1 . atm 26842 1 temperature 283 . K 26842 1 stop_ save_ save_298K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 298K _Sample_condition_list.Entry_ID 26842 _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' 0.28 . M 26842 2 pH 7.5 . pH 26842 2 pressure 1 . atm 26842 2 temperature 283 . K 26842 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26842 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26842 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 26842 1 processing 26842 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26842 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26842 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26842 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_950_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 950_MHz _NMR_spectrometer.Entry_ID 26842 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_800_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHz _NMR_spectrometer.Entry_ID 26842 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz _NMR_spectrometer.Entry_ID 26842 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details '5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700_MHz _NMR_spectrometer.Entry_ID 26842 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details '5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_600_MHz_HCP _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz_HCP _NMR_spectrometer.Entry_ID 26842 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details '5 mm z-gradient 1H,[13C,31P]-TCI cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 26842 _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 1 950_MHz Bruker Avance . 950 '5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe' . . 26842 1 2 800_MHz Bruker Avance . 800 '5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe' . . 26842 1 3 600_MHz Bruker Avance . 600 '5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe' . . 26842 1 4 700_MHz Bruker Avance . 700 '5 mm z-gradient 1H,[13C,15N]-TCI cryogenic probe' . . 26842 1 5 600_MHz_HCP Bruker Avance . 600 '5 mm z-gradient 1H,[13C,31P]-TCI cryogenic probe' . . 26842 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 26842 _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 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $13C-15N_sample isotropic . . 2 $298K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $13C-15N_sample isotropic . . 2 $298K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 4 $A-C-13C-15N_sample_H2O isotropic . . 2 $298K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 6 $A-C-13C-15N_sample_D2O isotropic . . 2 $298K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 5 $G-U-13C-15N_sample_H2O isotropic . . 2 $298K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 7 $G-U-13C-15N_sample_D2O isotropic . . 2 $298K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $283K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $283K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 9 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $283K . . . 1 $950_MHz . . . . . . . . . . . . . . . . 26842 1 10 'SELLR HNN-COSY' no . . . . . . . . . . 3 $15N_sample isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 11 HNN-COSY no . . . . . . . . . . 3 $15N_sample isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 12 'amino HNN-COSY' no . . . . . . . . . . 3 $15N_sample isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 13 'H1/H8 13C-HMBC' no . . . . . . . . . . 5 $G-U-13C-15N_sample_H2O isotropic . . 2 $298K . . . 2 $800_MHz . . . . . . . . . . . . . . . . 26842 1 14 '2D H5(C5C4N3)H3' no . . . . . . . . . . 5 $G-U-13C-15N_sample_H2O isotropic . . 2 $298K . . . 2 $800_MHz . . . . . . . . . . . . . . . . 26842 1 15 '2D H5(C5C4N4)H4' no . . . . . . . . . . 4 $A-C-13C-15N_sample_H2O isotropic . . 2 $298K . . . 2 $800_MHz . . . . . . . . . . . . . . . . 26842 1 16 '2D H(C)N aromatic' no . . . . . . . . . . 6 $A-C-13C-15N_sample_D2O isotropic . . 2 $298K . . . 4 $700_MHz . . . . . . . . . . . . . . . . 26842 1 17 '2D H(C)N aliphatic' no . . . . . . . . . . 6 $A-C-13C-15N_sample_D2O isotropic . . 2 $298K . . . 4 $700_MHz . . . . . . . . . . . . . . . . 26842 1 18 '2D H(C)N aromatic' no . . . . . . . . . . 7 $G-U-13C-15N_sample_D2O isotropic . . 2 $298K . . . 4 $700_MHz . . . . . . . . . . . . . . . . 26842 1 19 '2D H(C)N aliphatic' no . . . . . . . . . . 7 $G-U-13C-15N_sample_D2O isotropic . . 2 $298K . . . 4 $700_MHz . . . . . . . . . . . . . . . . 26842 1 20 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $A-C-13C-15N_sample_D2O isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 21 '3D HCCH-TOCSY' no . . . . . . . . . . 7 $G-U-13C-15N_sample_D2O isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 22 '3D HCCH-COSY' no . . . . . . . . . . 6 $A-C-13C-15N_sample_D2O isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 23 '3D HCCH-COSY' no . . . . . . . . . . 7 $G-U-13C-15N_sample_D2O isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 24 '2D H(N)CO' no . . . . . . . . . . 5 $G-U-13C-15N_sample_H2O isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 25 'H6-C2/C4 lr13C-HSQC' no . . . . . . . . . . 1 $unlabeled_sample isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 26 'H5-N3 lr15N-HSQC' no . . . . . . . . . . 5 $G-U-13C-15N_sample_H2O isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 27 'TROSY relayed HCCH COSY' no . . . . . . . . . . 6 $A-C-13C-15N_sample_D2O isotropic . . 2 $298K . . . 3 $600_MHz . . . . . . . . . . . . . . . . 26842 1 28 '2D H(C)P' no . . . . . . . . . . 6 $A-C-13C-15N_sample_D2O isotropic . . 2 $298K . . . 5 $600_MHz_HCP . . . . . . . . . . . . . . . . 26842 1 29 '2D H(C)P' no . . . . . . . . . . 7 $G-U-13C-15N_sample_D2O isotropic . . 2 $298K . . . 5 $600_MHz_HCP . . . . . . . . . . . . . . . . 26842 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 26842 _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 internal indirect 0.2514 . . . . . 26842 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 26842 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.1013 . . . . . 26842 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26842 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $298K _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aromatic' . . . 26842 1 2 '3D 1H-13C NOESY aliphatic' . . . 26842 1 3 '3D 1H-13C NOESY aromatic' . . . 26842 1 4 '3D 1H-13C NOESY aliphatic' . . . 26842 1 5 '3D 1H-13C NOESY aromatic' . . . 26842 1 6 '3D 1H-13C NOESY aliphatic' . . . 26842 1 7 '2D 1H-1H NOESY' . . . 26842 1 10 'SELLR HNN-COSY' . . . 26842 1 11 HNN-COSY . . . 26842 1 12 'amino HNN-COSY' . . . 26842 1 13 'H1/H8 13C-HMBC' . . . 26842 1 14 '2D H5(C5C4N3)H3' . . . 26842 1 15 '2D H5(C5C4N4)H4' . . . 26842 1 16 '2D H(C)N aromatic' . . . 26842 1 17 '2D H(C)N aliphatic' . . . 26842 1 18 '2D H(C)N aromatic' . . . 26842 1 19 '2D H(C)N aliphatic' . . . 26842 1 20 '3D HCCH-TOCSY' . . . 26842 1 21 '3D HCCH-TOCSY' . . . 26842 1 22 '3D HCCH-COSY' . . . 26842 1 23 '3D HCCH-COSY' . . . 26842 1 24 '2D H(N)CO' . . . 26842 1 25 'H6-C2/C4 lr13C-HSQC' . . . 26842 1 26 'H5-N3 lr15N-HSQC' . . . 26842 1 27 'TROSY relayed HCCH COSY' . . . 26842 1 28 '2D H(C)P' . . . 26842 1 29 '2D H(C)P' . . . 26842 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 $CARA . . 26842 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.717 . . 1 . . . . 1 G H1' . 26842 1 2 . 1 1 1 1 G H2' H 1 4.865 . . 1 . . . . 1 G H2' . 26842 1 3 . 1 1 1 1 G H3' H 1 4.718 . . 1 . . . . 1 G H3' . 26842 1 4 . 1 1 1 1 G H4' H 1 4.509 . . 1 . . . . 1 G H4' . 26842 1 5 . 1 1 1 1 G H5' H 1 4.45 . . 1 . . . . 1 G H5' . 26842 1 6 . 1 1 1 1 G H5'' H 1 4.263 . . 1 . . . . 1 G H5'' . 26842 1 7 . 1 1 1 1 G H8 H 1 8.095 . . 1 . . . . 1 G H8 . 26842 1 8 . 1 1 1 1 G C1' C 13 91.995 . . 1 . . . . 1 G C1' . 26842 1 9 . 1 1 1 1 G C2' C 13 74.848 . . 1 . . . . 1 G C2' . 26842 1 10 . 1 1 1 1 G C3' C 13 73.802 . . 1 . . . . 1 G C3' . 26842 1 11 . 1 1 1 1 G C4' C 13 82.977 . . 1 . . . . 1 G C4' . 26842 1 12 . 1 1 1 1 G C5 C 13 118.551 . . 1 . . . . 1 G C5 . 26842 1 13 . 1 1 1 1 G C5' C 13 66.289 . . 1 . . . . 1 G C5' . 26842 1 14 . 1 1 1 1 G C8 C 13 139.016 . . 1 . . . . 1 G C8 . 26842 1 15 . 1 1 1 1 G N9 N 15 169.149 . . 1 . . . . 1 G N9 . 26842 1 16 . 1 1 2 2 G H1 H 1 12.583 . . 1 . . . . 2 G H1 . 26842 1 17 . 1 1 2 2 G H1' H 1 5.824 . . 1 . . . . 2 G H1' . 26842 1 18 . 1 1 2 2 G H2' H 1 4.591 . . 1 . . . . 2 G H2' . 26842 1 19 . 1 1 2 2 G H3' H 1 4.565 . . 1 . . . . 2 G H3' . 26842 1 20 . 1 1 2 2 G H4' H 1 4.522 . . 1 . . . . 2 G H4' . 26842 1 21 . 1 1 2 2 G H5' H 1 4.49 . . 1 . . . . 2 G H5' . 26842 1 22 . 1 1 2 2 G H5'' H 1 4.182 . . 1 . . . . 2 G H5'' . 26842 1 23 . 1 1 2 2 G H8 H 1 7.463 . . 1 . . . . 2 G H8 . 26842 1 24 . 1 1 2 2 G C1' C 13 92.863 . . 1 . . . . 2 G C1' . 26842 1 25 . 1 1 2 2 G C2' C 13 75.295 . . 1 . . . . 2 G C2' . 26842 1 26 . 1 1 2 2 G C3' C 13 72.708 . . 1 . . . . 2 G C3' . 26842 1 27 . 1 1 2 2 G C4' C 13 82.165 . . 1 . . . . 2 G C4' . 26842 1 28 . 1 1 2 2 G C5 C 13 118.634 . . 1 . . . . 2 G C5 . 26842 1 29 . 1 1 2 2 G C5' C 13 65.702 . . 1 . . . . 2 G C5' . 26842 1 30 . 1 1 2 2 G C8 C 13 136.726 . . 1 . . . . 2 G C8 . 26842 1 31 . 1 1 2 2 G N1 N 15 146.859 . . 1 . . . . 2 G N1 . 26842 1 32 . 1 1 2 2 G N2 N 15 74.018 . . 1 . . . . 2 G N2 . 26842 1 33 . 1 1 2 2 G N9 N 15 169.321 . . 1 . . . . 2 G N9 . 26842 1 34 . 1 1 3 3 A H1' H 1 5.94 . . 1 . . . . 3 A H1' . 26842 1 35 . 1 1 3 3 A H2 H 1 7.72 . . 1 . . . . 3 A H2 . 26842 1 36 . 1 1 3 3 A H2' H 1 4.496 . . 1 . . . . 3 A H2' . 26842 1 37 . 1 1 3 3 A H3' H 1 4.555 . . 1 . . . . 3 A H3' . 26842 1 38 . 1 1 3 3 A H4' H 1 4.458 . . 1 . . . . 3 A H4' . 26842 1 39 . 1 1 3 3 A H5' H 1 4.581 . . 1 . . . . 3 A H5' . 26842 1 40 . 1 1 3 3 A H5'' H 1 4.097 . . 1 . . . . 3 A H5'' . 26842 1 41 . 1 1 3 3 A H8 H 1 7.773 . . 1 . . . . 3 A H8 . 26842 1 42 . 1 1 3 3 A C1' C 13 92.821 . . 1 . . . . 3 A C1' . 26842 1 43 . 1 1 3 3 A C2 C 13 153.756 . . 1 . . . . 3 A C2 . 26842 1 44 . 1 1 3 3 A C2' C 13 75.2 . . 1 . . . . 3 A C2' . 26842 1 45 . 1 1 3 3 A C3' C 13 72.184 . . 1 . . . . 3 A C3' . 26842 1 46 . 1 1 3 3 A C4 C 13 148.473 . . 1 . . . . 3 A C4 . 26842 1 47 . 1 1 3 3 A C4' C 13 81.75 . . 1 . . . . 3 A C4' . 26842 1 48 . 1 1 3 3 A C5 C 13 120.312 . . 1 . . . . 3 A C5 . 26842 1 49 . 1 1 3 3 A C5' C 13 64.325 . . 1 . . . . 3 A C5' . 26842 1 50 . 1 1 3 3 A C6 C 13 157.414 . . 1 . . . . 3 A C6 . 26842 1 51 . 1 1 3 3 A C8 C 13 139.073 . . 1 . . . . 3 A C8 . 26842 1 52 . 1 1 3 3 A N1 N 15 222.326 . . 1 . . . . 3 A N1 . 26842 1 53 . 1 1 3 3 A N3 N 15 211.613 . . 1 . . . . 3 A N3 . 26842 1 54 . 1 1 3 3 A N6 N 15 83.727 . . 1 . . . . 3 A N6 . 26842 1 55 . 1 1 3 3 A N9 N 15 170.704 . . 1 . . . . 3 A N9 . 26842 1 56 . 1 1 4 4 C H1' H 1 5.32 . . 1 . . . . 4 C H1' . 26842 1 57 . 1 1 4 4 C H2' H 1 4.456 . . 1 . . . . 4 C H2' . 26842 1 58 . 1 1 4 4 C H3' H 1 4.315 . . 1 . . . . 4 C H3' . 26842 1 59 . 1 1 4 4 C H4' H 1 4.323 . . 1 . . . . 4 C H4' . 26842 1 60 . 1 1 4 4 C H5 H 1 5.044 . . 1 . . . . 4 C H5 . 26842 1 61 . 1 1 4 4 C H5' H 1 4.451 . . 1 . . . . 4 C H5' . 26842 1 62 . 1 1 4 4 C H5'' H 1 4.001 . . 1 . . . . 4 C H5'' . 26842 1 63 . 1 1 4 4 C H6 H 1 7.261 . . 1 . . . . 4 C H6 . 26842 1 64 . 1 1 4 4 C H41 H 1 8.052 . . 1 . . . . 4 C H41 . 26842 1 65 . 1 1 4 4 C H42 H 1 6.576 . . 1 . . . . 4 C H42 . 26842 1 66 . 1 1 4 4 C C1' C 13 93.231 . . 1 . . . . 4 C C1' . 26842 1 67 . 1 1 4 4 C C2' C 13 75.226 . . 1 . . . . 4 C C2' . 26842 1 68 . 1 1 4 4 C C3' C 13 72.143 . . 1 . . . . 4 C C3' . 26842 1 69 . 1 1 4 4 C C4 C 13 151.049 . . 1 . . . . 4 C C4 . 26842 1 70 . 1 1 4 4 C C4' C 13 81.368 . . 1 . . . . 4 C C4' . 26842 1 71 . 1 1 4 4 C C5 C 13 97.514 . . 1 . . . . 4 C C5 . 26842 1 72 . 1 1 4 4 C C5' C 13 64.158 . . 1 . . . . 4 C C5' . 26842 1 73 . 1 1 4 4 C C6 C 13 139.657 . . 1 . . . . 4 C C6 . 26842 1 74 . 1 1 4 4 C N1 N 15 149.779 . . 1 . . . . 4 C N1 . 26842 1 75 . 1 1 4 4 C N3 N 15 195.87 . . 1 . . . . 4 C N3 . 26842 1 76 . 1 1 4 4 C N4 N 15 98.155 . . 1 . . . . 4 C N4 . 26842 1 77 . 1 1 5 5 G H1 H 1 12.349 . . 1 . . . . 5 G H1 . 26842 1 78 . 1 1 5 5 G H1' H 1 5.566 . . 1 . . . . 5 G H1' . 26842 1 79 . 1 1 5 5 G H2' H 1 4.643 . . 1 . . . . 5 G H2' . 26842 1 80 . 1 1 5 5 G H3' H 1 4.396 . . 1 . . . . 5 G H3' . 26842 1 81 . 1 1 5 5 G H4' H 1 4.419 . . 1 . . . . 5 G H4' . 26842 1 82 . 1 1 5 5 G H5' H 1 4.379 . . 1 . . . . 5 G H5' . 26842 1 83 . 1 1 5 5 G H5'' H 1 4.044 . . 1 . . . . 5 G H5'' . 26842 1 84 . 1 1 5 5 G H8 H 1 7.302 . . 1 . . . . 5 G H8 . 26842 1 85 . 1 1 5 5 G C1' C 13 92.98 . . 1 . . . . 5 G C1' . 26842 1 86 . 1 1 5 5 G C2' C 13 74.995 . . 1 . . . . 5 G C2' . 26842 1 87 . 1 1 5 5 G C3' C 13 73.152 . . 1 . . . . 5 G C3' . 26842 1 88 . 1 1 5 5 G C4 C 13 151.162 . . 1 . . . . 5 G C4 . 26842 1 89 . 1 1 5 5 G C4' C 13 81.944 . . 1 . . . . 5 G C4' . 26842 1 90 . 1 1 5 5 G C5 C 13 118.035 . . 1 . . . . 5 G C5 . 26842 1 91 . 1 1 5 5 G C5' C 13 66.221 . . 1 . . . . 5 G C5' . 26842 1 92 . 1 1 5 5 G C8 C 13 135.733 . . 1 . . . . 5 G C8 . 26842 1 93 . 1 1 5 5 G N1 N 15 146.136 . . 1 . . . . 5 G N1 . 26842 1 94 . 1 1 5 5 G N2 N 15 74.918 . . 1 . . . . 5 G N2 . 26842 1 95 . 1 1 5 5 G N7 N 15 234.022 . . 1 . . . . 5 G N7 . 26842 1 96 . 1 1 5 5 G N9 N 15 168.424 . . 1 . . . . 5 G N9 . 26842 1 97 . 1 1 6 6 A H1' H 1 5.809 . . 1 . . . . 6 A H1' . 26842 1 98 . 1 1 6 6 A H2 H 1 7.898 . . 1 . . . . 6 A H2 . 26842 1 99 . 1 1 6 6 A H2' H 1 4.388 . . 1 . . . . 6 A H2' . 26842 1 100 . 1 1 6 6 A H3' H 1 4.553 . . 1 . . . . 6 A H3' . 26842 1 101 . 1 1 6 6 A H4' H 1 4.416 . . 1 . . . . 6 A H4' . 26842 1 102 . 1 1 6 6 A H8 H 1 7.792 . . 1 . . . . 6 A H8 . 26842 1 103 . 1 1 6 6 A C1' C 13 92.893 . . 1 . . . . 6 A C1' . 26842 1 104 . 1 1 6 6 A C2 C 13 155.23 . . 1 . . . . 6 A C2 . 26842 1 105 . 1 1 6 6 A C2' C 13 75.242 . . 1 . . . . 6 A C2' . 26842 1 106 . 1 1 6 6 A C3' C 13 72.057 . . 1 . . . . 6 A C3' . 26842 1 107 . 1 1 6 6 A C4 C 13 148.245 . . 1 . . . . 6 A C4 . 26842 1 108 . 1 1 6 6 A C4' C 13 82.117 . . 1 . . . . 6 A C4' . 26842 1 109 . 1 1 6 6 A C5 C 13 120.112 . . 1 . . . . 6 A C5 . 26842 1 110 . 1 1 6 6 A C6 C 13 157.193 . . 1 . . . . 6 A C6 . 26842 1 111 . 1 1 6 6 A C8 C 13 138.866 . . 1 . . . . 6 A C8 . 26842 1 112 . 1 1 6 6 A N1 N 15 224.497 . . 1 . . . . 6 A N1 . 26842 1 113 . 1 1 6 6 A N3 N 15 210.946 . . 1 . . . . 6 A N3 . 26842 1 114 . 1 1 6 6 A N6 N 15 82.205 . . 1 . . . . 6 A N6 . 26842 1 115 . 1 1 6 6 A N7 N 15 230.059 . . 1 . . . . 6 A N7 . 26842 1 116 . 1 1 6 6 A N9 N 15 170.416 . . 1 . . . . 6 A N9 . 26842 1 117 . 1 1 7 7 C H1' H 1 5.564 . . 1 . . . . 7 C H1' . 26842 1 118 . 1 1 7 7 C H2' H 1 4.02 . . 1 . . . . 7 C H2' . 26842 1 119 . 1 1 7 7 C H3' H 1 4.152 . . 1 . . . . 7 C H3' . 26842 1 120 . 1 1 7 7 C H4' H 1 4.29 . . 1 . . . . 7 C H4' . 26842 1 121 . 1 1 7 7 C H5 H 1 5.092 . . 1 . . . . 7 C H5 . 26842 1 122 . 1 1 7 7 C H5' H 1 4.063 . . 1 . . . . 7 C H5' . 26842 1 123 . 1 1 7 7 C H5'' H 1 4.551 . . 1 . . . . 7 C H5'' . 26842 1 124 . 1 1 7 7 C H6 H 1 7.505 . . 1 . . . . 7 C H6 . 26842 1 125 . 1 1 7 7 C H41 H 1 7.968 . . 1 . . . . 7 C H41 . 26842 1 126 . 1 1 7 7 C H42 H 1 6.998 . . 1 . . . . 7 C H42 . 26842 1 127 . 1 1 7 7 C C1' C 13 92.446 . . 1 . . . . 7 C C1' . 26842 1 128 . 1 1 7 7 C C2' C 13 76.317 . . 1 . . . . 7 C C2' . 26842 1 129 . 1 1 7 7 C C3' C 13 71.898 . . 1 . . . . 7 C C3' . 26842 1 130 . 1 1 7 7 C C4' C 13 81.777 . . 1 . . . . 7 C C4' . 26842 1 131 . 1 1 7 7 C C5 C 13 96.924 . . 1 . . . . 7 C C5 . 26842 1 132 . 1 1 7 7 C C5' C 13 64.106 . . 1 . . . . 7 C C5' . 26842 1 133 . 1 1 7 7 C C6 C 13 139.976 . . 1 . . . . 7 C C6 . 26842 1 134 . 1 1 7 7 C N1 N 15 151.37 . . 1 . . . . 7 C N1 . 26842 1 135 . 1 1 7 7 C N3 N 15 195.641 . . 1 . . . . 7 C N3 . 26842 1 136 . 1 1 7 7 C N4 N 15 97.235 . . 1 . . . . 7 C N4 . 26842 1 137 . 1 1 8 8 U H1' H 1 5.638 . . 1 . . . . 8 U H1' . 26842 1 138 . 1 1 8 8 U H2' H 1 4.597 . . 1 . . . . 8 U H2' . 26842 1 139 . 1 1 8 8 U H3 H 1 10.323 . . 1 . . . . 8 U H3 . 26842 1 140 . 1 1 8 8 U H3' H 1 4.325 . . 1 . . . . 8 U H3' . 26842 1 141 . 1 1 8 8 U H4' H 1 4.493 . . 1 . . . . 8 U H4' . 26842 1 142 . 1 1 8 8 U H5 H 1 6.203 . . 1 . . . . 8 U H5 . 26842 1 143 . 1 1 8 8 U H5' H 1 3.994 . . 1 . . . . 8 U H5' . 26842 1 144 . 1 1 8 8 U H5'' H 1 4.421 . . 1 . . . . 8 U H5'' . 26842 1 145 . 1 1 8 8 U H6 H 1 7.552 . . 1 . . . . 8 U H6 . 26842 1 146 . 1 1 8 8 U C1' C 13 94.684 . . 1 . . . . 8 U C1' . 26842 1 147 . 1 1 8 8 U C2 C 13 152.35 . . 1 . . . . 8 U C2 . 26842 1 148 . 1 1 8 8 U C2' C 13 75.405 . . 1 . . . . 8 U C2' . 26842 1 149 . 1 1 8 8 U C3' C 13 73.85 . . 1 . . . . 8 U C3' . 26842 1 150 . 1 1 8 8 U C4 C 13 169.604 . . 1 . . . . 8 U C4 . 26842 1 151 . 1 1 8 8 U C4' C 13 84.352 . . 1 . . . . 8 U C4' . 26842 1 152 . 1 1 8 8 U C5 C 13 104.94 . . 1 . . . . 8 U C5 . 26842 1 153 . 1 1 8 8 U C5' C 13 68.565 . . 1 . . . . 8 U C5' . 26842 1 154 . 1 1 8 8 U C6 C 13 142.598 . . 1 . . . . 8 U C6 . 26842 1 155 . 1 1 8 8 U N1 N 15 147.085 . . 1 . . . . 8 U N1 . 26842 1 156 . 1 1 8 8 U N3 N 15 155.142 . . 1 . . . . 8 U N3 . 26842 1 157 . 1 1 9 9 G H1 H 1 12.231 . . 1 . . . . 9 G H1 . 26842 1 158 . 1 1 9 9 G H1' H 1 5.872 . . 1 . . . . 9 G H1' . 26842 1 159 . 1 1 9 9 G H2' H 1 4.725 . . 1 . . . . 9 G H2' . 26842 1 160 . 1 1 9 9 G H3' H 1 4.633 . . 1 . . . . 9 G H3' . 26842 1 161 . 1 1 9 9 G H4' H 1 4.547 . . 1 . . . . 9 G H4' . 26842 1 162 . 1 1 9 9 G H5' H 1 4.499 . . 1 . . . . 9 G H5' . 26842 1 163 . 1 1 9 9 G H5'' H 1 4.211 . . 1 . . . . 9 G H5'' . 26842 1 164 . 1 1 9 9 G H8 H 1 7.817 . . 1 . . . . 9 G H8 . 26842 1 165 . 1 1 9 9 G H21 H 1 8.418 . . 1 . . . . 9 G H21 . 26842 1 166 . 1 1 9 9 G H22 H 1 6.424 . . 1 . . . . 9 G H22 . 26842 1 167 . 1 1 9 9 G C1' C 13 91.836 . . 1 . . . . 9 G C1' . 26842 1 168 . 1 1 9 9 G C2' C 13 75.979 . . 1 . . . . 9 G C2' . 26842 1 169 . 1 1 9 9 G C3' C 13 73.885 . . 1 . . . . 9 G C3' . 26842 1 170 . 1 1 9 9 G C4' C 13 81.943 . . 1 . . . . 9 G C4' . 26842 1 171 . 1 1 9 9 G C5 C 13 118.558 . . 1 . . . . 9 G C5 . 26842 1 172 . 1 1 9 9 G C5' C 13 66.22 . . 1 . . . . 9 G C5' . 26842 1 173 . 1 1 9 9 G C8 C 13 136.574 . . 1 . . . . 9 G C8 . 26842 1 174 . 1 1 9 9 G N1 N 15 147.269 . . 1 . . . . 9 G N1 . 26842 1 175 . 1 1 9 9 G N2 N 15 75.994 . . 1 . . . . 9 G N2 . 26842 1 176 . 1 1 9 9 G N7 N 15 235.181 . . 1 . . . . 9 G N7 . 26842 1 177 . 1 1 9 9 G N9 N 15 169.914 . . 1 . . . . 9 G N9 . 26842 1 178 . 1 1 10 10 A H1' H 1 5.973 . . 1 . . . . 10 A H1' . 26842 1 179 . 1 1 10 10 A H2 H 1 7.168 . . 1 . . . . 10 A H2 . 26842 1 180 . 1 1 10 10 A H2' H 1 4.662 . . 1 . . . . 10 A H2' . 26842 1 181 . 1 1 10 10 A H3' H 1 4.598 . . 1 . . . . 10 A H3' . 26842 1 182 . 1 1 10 10 A H4' H 1 4.602 . . 1 . . . . 10 A H4' . 26842 1 183 . 1 1 10 10 A H5' H 1 4.52 . . 1 . . . . 10 A H5' . 26842 1 184 . 1 1 10 10 A H5'' H 1 4.215 . . 1 . . . . 10 A H5'' . 26842 1 185 . 1 1 10 10 A H8 H 1 7.792 . . 1 . . . . 10 A H8 . 26842 1 186 . 1 1 10 10 A H61 H 1 8.452 . . 1 . . . . 10 A H61 . 26842 1 187 . 1 1 10 10 A H62 H 1 6.773 . . 1 . . . . 10 A H62 . 26842 1 188 . 1 1 10 10 A C1' C 13 93.288 . . 1 . . . . 10 A C1' . 26842 1 189 . 1 1 10 10 A C2 C 13 152.907 . . 1 . . . . 10 A C2 . 26842 1 190 . 1 1 10 10 A C2' C 13 75.253 . . 1 . . . . 10 A C2' . 26842 1 191 . 1 1 10 10 A C3' C 13 73.425 . . 1 . . . . 10 A C3' . 26842 1 192 . 1 1 10 10 A C4 C 13 148.398 . . 1 . . . . 10 A C4 . 26842 1 193 . 1 1 10 10 A C4' C 13 82.236 . . 1 . . . . 10 A C4' . 26842 1 194 . 1 1 10 10 A C5 C 13 120.971 . . 1 . . . . 10 A C5 . 26842 1 195 . 1 1 10 10 A C5' C 13 66.346 . . 1 . . . . 10 A C5' . 26842 1 196 . 1 1 10 10 A C6 C 13 157.398 . . 1 . . . . 10 A C6 . 26842 1 197 . 1 1 10 10 A C8 C 13 139.782 . . 1 . . . . 10 A C8 . 26842 1 198 . 1 1 10 10 A N1 N 15 221.542 . . 1 . . . . 10 A N1 . 26842 1 199 . 1 1 10 10 A N3 N 15 212.091 . . 1 . . . . 10 A N3 . 26842 1 200 . 1 1 10 10 A N6 N 15 82.867 . . 1 . . . . 10 A N6 . 26842 1 201 . 1 1 10 10 A N9 N 15 169.882 . . 1 . . . . 10 A N9 . 26842 1 202 . 1 1 11 11 A H1' H 1 6.001 . . 1 . . . . 11 A H1' . 26842 1 203 . 1 1 11 11 A H2 H 1 7.831 . . 1 . . . . 11 A H2 . 26842 1 204 . 1 1 11 11 A H2' H 1 4.51 . . 1 . . . . 11 A H2' . 26842 1 205 . 1 1 11 11 A H3' H 1 4.645 . . 1 . . . . 11 A H3' . 26842 1 206 . 1 1 11 11 A H4' H 1 4.525 . . 1 . . . . 11 A H4' . 26842 1 207 . 1 1 11 11 A H5' H 1 4.64 . . 1 . . . . 11 A H5' . 26842 1 208 . 1 1 11 11 A H5'' H 1 4.15 . . 1 . . . . 11 A H5'' . 26842 1 209 . 1 1 11 11 A H8 H 1 7.927 . . 1 . . . . 11 A H8 . 26842 1 210 . 1 1 11 11 A H61 H 1 8.207 . . 1 . . . . 11 A H61 . 26842 1 211 . 1 1 11 11 A H62 H 1 6.808 . . 1 . . . . 11 A H62 . 26842 1 212 . 1 1 11 11 A C1' C 13 92.55 . . 1 . . . . 11 A C1' . 26842 1 213 . 1 1 11 11 A C2 C 13 153.784 . . 1 . . . . 11 A C2 . 26842 1 214 . 1 1 11 11 A C2' C 13 75.342 . . 1 . . . . 11 A C2' . 26842 1 215 . 1 1 11 11 A C3' C 13 72.185 . . 1 . . . . 11 A C3' . 26842 1 216 . 1 1 11 11 A C4 C 13 148.325 . . 1 . . . . 11 A C4 . 26842 1 217 . 1 1 11 11 A C4' C 13 81.658 . . 1 . . . . 11 A C4' . 26842 1 218 . 1 1 11 11 A C5 C 13 120.446 . . 1 . . . . 11 A C5 . 26842 1 219 . 1 1 11 11 A C5' C 13 64.336 . . 1 . . . . 11 A C5' . 26842 1 220 . 1 1 11 11 A C6 C 13 157.646 . . 1 . . . . 11 A C6 . 26842 1 221 . 1 1 11 11 A C8 C 13 139.061 . . 1 . . . . 11 A C8 . 26842 1 222 . 1 1 11 11 A N1 N 15 222.236 . . 1 . . . . 11 A N1 . 26842 1 223 . 1 1 11 11 A N3 N 15 211.321 . . 1 . . . . 11 A N3 . 26842 1 224 . 1 1 11 11 A N6 N 15 84.844 . . 1 . . . . 11 A N6 . 26842 1 225 . 1 1 11 11 A N7 N 15 229.359 . . 1 . . . . 11 A N7 . 26842 1 226 . 1 1 11 11 A N9 N 15 171.149 . . 1 . . . . 11 A N9 . 26842 1 227 . 1 1 12 12 C H1' H 1 5.415 . . 1 . . . . 12 C H1' . 26842 1 228 . 1 1 12 12 C H2' H 1 4.165 . . 1 . . . . 12 C H2' . 26842 1 229 . 1 1 12 12 C H3' H 1 4.393 . . 1 . . . . 12 C H3' . 26842 1 230 . 1 1 12 12 C H4' H 1 4.397 . . 1 . . . . 12 C H4' . 26842 1 231 . 1 1 12 12 C H5 H 1 5.204 . . 1 . . . . 12 C H5 . 26842 1 232 . 1 1 12 12 C H5' H 1 4.516 . . 1 . . . . 12 C H5' . 26842 1 233 . 1 1 12 12 C H5'' H 1 4.052 . . 1 . . . . 12 C H5'' . 26842 1 234 . 1 1 12 12 C H6 H 1 7.484 . . 1 . . . . 12 C H6 . 26842 1 235 . 1 1 12 12 C H41 H 1 8.429 . . 1 . . . . 12 C H41 . 26842 1 236 . 1 1 12 12 C H42 H 1 7.001 . . 1 . . . . 12 C H42 . 26842 1 237 . 1 1 12 12 C C1' C 13 93.523 . . 1 . . . . 12 C C1' . 26842 1 238 . 1 1 12 12 C C2' C 13 75.593 . . 1 . . . . 12 C C2' . 26842 1 239 . 1 1 12 12 C C3' C 13 71.902 . . 1 . . . . 12 C C3' . 26842 1 240 . 1 1 12 12 C C4' C 13 81.554 . . 1 . . . . 12 C C4' . 26842 1 241 . 1 1 12 12 C C5 C 13 97.207 . . 1 . . . . 12 C C5 . 26842 1 242 . 1 1 12 12 C C5' C 13 64.174 . . 1 . . . . 12 C C5' . 26842 1 243 . 1 1 12 12 C C6 C 13 140.383 . . 1 . . . . 12 C C6 . 26842 1 244 . 1 1 12 12 C N1 N 15 151.017 . . 1 . . . . 12 C N1 . 26842 1 245 . 1 1 12 12 C N3 N 15 197.159 . . 1 . . . . 12 C N3 . 26842 1 246 . 1 1 12 12 C N4 N 15 98.676 . . 1 . . . . 12 C N4 . 26842 1 247 . 1 1 13 13 C H1' H 1 5.558 . . 1 . . . . 13 C H1' . 26842 1 248 . 1 1 13 13 C H2' H 1 4.491 . . 1 . . . . 13 C H2' . 26842 1 249 . 1 1 13 13 C H3' H 1 4.487 . . 1 . . . . 13 C H3' . 26842 1 250 . 1 1 13 13 C H5 H 1 5.373 . . 1 . . . . 13 C H5 . 26842 1 251 . 1 1 13 13 C H5'' H 1 4.1 . . 1 . . . . 13 C H5'' . 26842 1 252 . 1 1 13 13 C H6 H 1 7.575 . . 1 . . . . 13 C H6 . 26842 1 253 . 1 1 13 13 C H41 H 1 8.332 . . 1 . . . . 13 C H41 . 26842 1 254 . 1 1 13 13 C H42 H 1 6.584 . . 1 . . . . 13 C H42 . 26842 1 255 . 1 1 13 13 C C1' C 13 93.614 . . 1 . . . . 13 C C1' . 26842 1 256 . 1 1 13 13 C C2' C 13 75.525 . . 1 . . . . 13 C C2' . 26842 1 257 . 1 1 13 13 C C3' C 13 71.638 . . 1 . . . . 13 C C3' . 26842 1 258 . 1 1 13 13 C C5 C 13 98.386 . . 1 . . . . 13 C C5 . 26842 1 259 . 1 1 13 13 C C5' C 13 64.135 . . 1 . . . . 13 C C5' . 26842 1 260 . 1 1 13 13 C C6 C 13 140.047 . . 1 . . . . 13 C C6 . 26842 1 261 . 1 1 13 13 C N1 N 15 150.357 . . 1 . . . . 13 C N1 . 26842 1 262 . 1 1 13 13 C N3 N 15 194.707 . . 1 . . . . 13 C N3 . 26842 1 263 . 1 1 13 13 C N4 N 15 98.259 . . 1 . . . . 13 C N4 . 26842 1 264 . 1 1 14 14 G H1 H 1 10.549 . . 1 . . . . 14 G H1 . 26842 1 265 . 1 1 14 14 G H1' H 1 5.677 . . 1 . . . . 14 G H1' . 26842 1 266 . 1 1 14 14 G H2' H 1 4.411 . . 1 . . . . 14 G H2' . 26842 1 267 . 1 1 14 14 G H3' H 1 4.683 . . 1 . . . . 14 G H3' . 26842 1 268 . 1 1 14 14 G H4' H 1 4.409 . . 1 . . . . 14 G H4' . 26842 1 269 . 1 1 14 14 G H5' H 1 4.439 . . 1 . . . . 14 G H5' . 26842 1 270 . 1 1 14 14 G H5'' H 1 4.143 . . 1 . . . . 14 G H5'' . 26842 1 271 . 1 1 14 14 G H8 H 1 7.52 . . 1 . . . . 14 G H8 . 26842 1 272 . 1 1 14 14 G C1' C 13 93.225 . . 1 . . . . 14 G C1' . 26842 1 273 . 1 1 14 14 G C2' C 13 75.816 . . 1 . . . . 14 G C2' . 26842 1 274 . 1 1 14 14 G C3' C 13 72.393 . . 1 . . . . 14 G C3' . 26842 1 275 . 1 1 14 14 G C4' C 13 82.072 . . 1 . . . . 14 G C4' . 26842 1 276 . 1 1 14 14 G C5 C 13 118.947 . . 1 . . . . 14 G C5 . 26842 1 277 . 1 1 14 14 G C5' C 13 64.658 . . 1 . . . . 14 G C5' . 26842 1 278 . 1 1 14 14 G C8 C 13 136.121 . . 1 . . . . 14 G C8 . 26842 1 279 . 1 1 14 14 G N1 N 15 145.907 . . 1 . . . . 14 G N1 . 26842 1 280 . 1 1 14 14 G N9 N 15 170.16 . . 1 . . . . 14 G N9 . 26842 1 281 . 1 1 15 15 A H1' H 1 5.679 . . 1 . . . . 15 A H1' . 26842 1 282 . 1 1 15 15 A H2 H 1 7.802 . . 1 . . . . 15 A H2 . 26842 1 283 . 1 1 15 15 A H2' H 1 4.767 . . 1 . . . . 15 A H2' . 26842 1 284 . 1 1 15 15 A H3' H 1 4.453 . . 1 . . . . 15 A H3' . 26842 1 285 . 1 1 15 15 A H4' H 1 4.234 . . 1 . . . . 15 A H4' . 26842 1 286 . 1 1 15 15 A H5' H 1 4.25 . . 1 . . . . 15 A H5' . 26842 1 287 . 1 1 15 15 A H5'' H 1 3.948 . . 1 . . . . 15 A H5'' . 26842 1 288 . 1 1 15 15 A H8 H 1 8.385 . . 1 . . . . 15 A H8 . 26842 1 289 . 1 1 15 15 A C1' C 13 92.236 . . 1 . . . . 15 A C1' . 26842 1 290 . 1 1 15 15 A C2 C 13 154.113 . . 1 . . . . 15 A C2 . 26842 1 291 . 1 1 15 15 A C2' C 13 75.491 . . 1 . . . . 15 A C2' . 26842 1 292 . 1 1 15 15 A C3' C 13 73.141 . . 1 . . . . 15 A C3' . 26842 1 293 . 1 1 15 15 A C4 C 13 149.045 . . 1 . . . . 15 A C4 . 26842 1 294 . 1 1 15 15 A C4' C 13 83.221 . . 1 . . . . 15 A C4' . 26842 1 295 . 1 1 15 15 A C5 C 13 119.989 . . 1 . . . . 15 A C5 . 26842 1 296 . 1 1 15 15 A C5' C 13 64.118 . . 1 . . . . 15 A C5' . 26842 1 297 . 1 1 15 15 A C6 C 13 156.329 . . 1 . . . . 15 A C6 . 26842 1 298 . 1 1 15 15 A C8 C 13 142.207 . . 1 . . . . 15 A C8 . 26842 1 299 . 1 1 15 15 A N1 N 15 223.571 . . 1 . . . . 15 A N1 . 26842 1 300 . 1 1 15 15 A N3 N 15 215.702 . . 1 . . . . 15 A N3 . 26842 1 301 . 1 1 15 15 A N6 N 15 78.05 . . 1 . . . . 15 A N6 . 26842 1 302 . 1 1 15 15 A N7 N 15 228.341 . . 1 . . . . 15 A N7 . 26842 1 303 . 1 1 15 15 A N9 N 15 169.308 . . 1 . . . . 15 A N9 . 26842 1 304 . 1 1 16 16 A H1' H 1 5.395 . . 1 . . . . 16 A H1' . 26842 1 305 . 1 1 16 16 A H2 H 1 7.783 . . 1 . . . . 16 A H2 . 26842 1 306 . 1 1 16 16 A H2' H 1 4.324 . . 1 . . . . 16 A H2' . 26842 1 307 . 1 1 16 16 A H3' H 1 4.569 . . 1 . . . . 16 A H3' . 26842 1 308 . 1 1 16 16 A H4' H 1 4.277 . . 1 . . . . 16 A H4' . 26842 1 309 . 1 1 16 16 A H5'' H 1 3.923 . . 1 . . . . 16 A H5'' . 26842 1 310 . 1 1 16 16 A H8 H 1 7.935 . . 1 . . . . 16 A H8 . 26842 1 311 . 1 1 16 16 A H61 H 1 6.494 . . 1 . . . . 16 A H61 . 26842 1 312 . 1 1 16 16 A H62 H 1 6.494 . . 1 . . . . 16 A H62 . 26842 1 313 . 1 1 16 16 A C1' C 13 92.411 . . 1 . . . . 16 A C1' . 26842 1 314 . 1 1 16 16 A C2 C 13 154.338 . . 1 . . . . 16 A C2 . 26842 1 315 . 1 1 16 16 A C2' C 13 75.968 . . 1 . . . . 16 A C2' . 26842 1 316 . 1 1 16 16 A C3' C 13 73.64 . . 1 . . . . 16 A C3' . 26842 1 317 . 1 1 16 16 A C4 C 13 147.966 . . 1 . . . . 16 A C4 . 26842 1 318 . 1 1 16 16 A C4' C 13 83.181 . . 1 . . . . 16 A C4' . 26842 1 319 . 1 1 16 16 A C5 C 13 119.643 . . 1 . . . . 16 A C5 . 26842 1 320 . 1 1 16 16 A C5' C 13 64.569 . . 1 . . . . 16 A C5' . 26842 1 321 . 1 1 16 16 A C6 C 13 155.818 . . 1 . . . . 16 A C6 . 26842 1 322 . 1 1 16 16 A C8 C 13 140.148 . . 1 . . . . 16 A C8 . 26842 1 323 . 1 1 16 16 A N1 N 15 223.563 . . 1 . . . . 16 A N1 . 26842 1 324 . 1 1 16 16 A N3 N 15 215.68 . . 1 . . . . 16 A N3 . 26842 1 325 . 1 1 16 16 A N6 N 15 79.003 . . 1 . . . . 16 A N6 . 26842 1 326 . 1 1 16 16 A N7 N 15 226.254 . . 1 . . . . 16 A N7 . 26842 1 327 . 1 1 16 16 A N9 N 15 169.786 . . 1 . . . . 16 A N9 . 26842 1 328 . 1 1 16 16 A P P 31 -0.111 . . 1 . . . . 16 A P . 26842 1 329 . 1 1 17 17 A H1' H 1 5.996 . . 1 . . . . 17 A H1' . 26842 1 330 . 1 1 17 17 A H2 H 1 8.132 . . 1 . . . . 17 A H2 . 26842 1 331 . 1 1 17 17 A H2' H 1 4.61 . . 1 . . . . 17 A H2' . 26842 1 332 . 1 1 17 17 A H3' H 1 5.075 . . 1 . . . . 17 A H3' . 26842 1 333 . 1 1 17 17 A H4' H 1 4.445 . . 1 . . . . 17 A H4' . 26842 1 334 . 1 1 17 17 A H8 H 1 8.205 . . 1 . . . . 17 A H8 . 26842 1 335 . 1 1 17 17 A C1' C 13 91.899 . . 1 . . . . 17 A C1' . 26842 1 336 . 1 1 17 17 A C2 C 13 155.36 . . 1 . . . . 17 A C2 . 26842 1 337 . 1 1 17 17 A C2' C 13 76.502 . . 1 . . . . 17 A C2' . 26842 1 338 . 1 1 17 17 A C4 C 13 148.362 . . 1 . . . . 17 A C4 . 26842 1 339 . 1 1 17 17 A C4' C 13 82.24 . . 1 . . . . 17 A C4' . 26842 1 340 . 1 1 17 17 A C5 C 13 119.718 . . 1 . . . . 17 A C5 . 26842 1 341 . 1 1 17 17 A C6 C 13 156.786 . . 1 . . . . 17 A C6 . 26842 1 342 . 1 1 17 17 A C8 C 13 140.766 . . 1 . . . . 17 A C8 . 26842 1 343 . 1 1 17 17 A N1 N 15 226.078 . . 1 . . . . 17 A N1 . 26842 1 344 . 1 1 17 17 A N3 N 15 215.923 . . 1 . . . . 17 A N3 . 26842 1 345 . 1 1 17 17 A N6 N 15 80.176 . . 1 . . . . 17 A N6 . 26842 1 346 . 1 1 17 17 A N7 N 15 230.859 . . 1 . . . . 17 A N7 . 26842 1 347 . 1 1 17 17 A N9 N 15 172.678 . . 1 . . . . 17 A N9 . 26842 1 348 . 1 1 17 17 A P P 31 -1.865 . . 1 . . . . 17 A P . 26842 1 349 . 1 1 18 18 G H1 H 1 12.557 . . 1 . . . . 18 G H1 . 26842 1 350 . 1 1 18 18 G H1' H 1 3.606 . . 1 . . . . 18 G H1' . 26842 1 351 . 1 1 18 18 G H2' H 1 4.468 . . 1 . . . . 18 G H2' . 26842 1 352 . 1 1 18 18 G H3' H 1 4.178 . . 1 . . . . 18 G H3' . 26842 1 353 . 1 1 18 18 G H4' H 1 4.276 . . 1 . . . . 18 G H4' . 26842 1 354 . 1 1 18 18 G H5' H 1 4.247 . . 1 . . . . 18 G H5' . 26842 1 355 . 1 1 18 18 G H5'' H 1 4.366 . . 1 . . . . 18 G H5'' . 26842 1 356 . 1 1 18 18 G H8 H 1 7.863 . . 1 . . . . 18 G H8 . 26842 1 357 . 1 1 18 18 G C1' C 13 92.638 . . 1 . . . . 18 G C1' . 26842 1 358 . 1 1 18 18 G C2' C 13 74.969 . . 1 . . . . 18 G C2' . 26842 1 359 . 1 1 18 18 G C3' C 13 74.322 . . 1 . . . . 18 G C3' . 26842 1 360 . 1 1 18 18 G C4' C 13 82.492 . . 1 . . . . 18 G C4' . 26842 1 361 . 1 1 18 18 G C5 C 13 119.19 . . 1 . . . . 18 G C5 . 26842 1 362 . 1 1 18 18 G C5' C 13 69.385 . . 1 . . . . 18 G C5' . 26842 1 363 . 1 1 18 18 G C8 C 13 137.099 . . 1 . . . . 18 G C8 . 26842 1 364 . 1 1 18 18 G N1 N 15 147.009 . . 1 . . . . 18 G N1 . 26842 1 365 . 1 1 18 18 G N2 N 15 74.71 . . 1 . . . . 18 G N2 . 26842 1 366 . 1 1 18 18 G N9 N 15 169.026 . . 1 . . . . 18 G N9 . 26842 1 367 . 1 1 19 19 G H1 H 1 13.275 . . 1 . . . . 19 G H1 . 26842 1 368 . 1 1 19 19 G H1' H 1 5.803 . . 1 . . . . 19 G H1' . 26842 1 369 . 1 1 19 19 G H2' H 1 4.45 . . 1 . . . . 19 G H2' . 26842 1 370 . 1 1 19 19 G H3' H 1 4.473 . . 1 . . . . 19 G H3' . 26842 1 371 . 1 1 19 19 G H4' H 1 4.44 . . 1 . . . . 19 G H4' . 26842 1 372 . 1 1 19 19 G H5' H 1 4.435 . . 1 . . . . 19 G H5' . 26842 1 373 . 1 1 19 19 G H5'' H 1 4.039 . . 1 . . . . 19 G H5'' . 26842 1 374 . 1 1 19 19 G H8 H 1 7.207 . . 1 . . . . 19 G H8 . 26842 1 375 . 1 1 19 19 G H21 H 1 8.418 . . 1 . . . . 19 G H21 . 26842 1 376 . 1 1 19 19 G H22 H 1 6.743 . . 1 . . . . 19 G H22 . 26842 1 377 . 1 1 19 19 G C1' C 13 93.018 . . 1 . . . . 19 G C1' . 26842 1 378 . 1 1 19 19 G C2' C 13 74.717 . . 1 . . . . 19 G C2' . 26842 1 379 . 1 1 19 19 G C3' C 13 72.525 . . 1 . . . . 19 G C3' . 26842 1 380 . 1 1 19 19 G C4 C 13 151.839 . . 1 . . . . 19 G C4 . 26842 1 381 . 1 1 19 19 G C4' C 13 81.88 . . 1 . . . . 19 G C4' . 26842 1 382 . 1 1 19 19 G C5 C 13 118.893 . . 1 . . . . 19 G C5 . 26842 1 383 . 1 1 19 19 G C5' C 13 64.493 . . 1 . . . . 19 G C5' . 26842 1 384 . 1 1 19 19 G C8 C 13 136.14 . . 1 . . . . 19 G C8 . 26842 1 385 . 1 1 19 19 G N1 N 15 148.18 . . 1 . . . . 19 G N1 . 26842 1 386 . 1 1 19 19 G N2 N 15 74.319 . . 1 . . . . 19 G N2 . 26842 1 387 . 1 1 19 19 G N9 N 15 169.234 . . 1 . . . . 19 G N9 . 26842 1 388 . 1 1 20 20 U H1' H 1 5.59 . . 1 . . . . 20 U H1' . 26842 1 389 . 1 1 20 20 U H2' H 1 4.464 . . 1 . . . . 20 U H2' . 26842 1 390 . 1 1 20 20 U H3 H 1 14.452 . . 1 . . . . 20 U H3 . 26842 1 391 . 1 1 20 20 U H3' H 1 4.459 . . 1 . . . . 20 U H3' . 26842 1 392 . 1 1 20 20 U H5 H 1 5.09 . . 1 . . . . 20 U H5 . 26842 1 393 . 1 1 20 20 U H6 H 1 7.815 . . 1 . . . . 20 U H6 . 26842 1 394 . 1 1 20 20 U C1' C 13 93.721 . . 1 . . . . 20 U C1' . 26842 1 395 . 1 1 20 20 U C2 C 13 152.934 . . 1 . . . . 20 U C2 . 26842 1 396 . 1 1 20 20 U C2' C 13 75.087 . . 1 . . . . 20 U C2' . 26842 1 397 . 1 1 20 20 U C3' C 13 72.072 . . 1 . . . . 20 U C3' . 26842 1 398 . 1 1 20 20 U C4 C 13 168.985 . . 1 . . . . 20 U C4 . 26842 1 399 . 1 1 20 20 U C5 C 13 102.479 . . 1 . . . . 20 U C5 . 26842 1 400 . 1 1 20 20 U C6 C 13 141.735 . . 1 . . . . 20 U C6 . 26842 1 401 . 1 1 20 20 U N1 N 15 146.464 . . 1 . . . . 20 U N1 . 26842 1 402 . 1 1 20 20 U N3 N 15 162.376 . . 1 . . . . 20 U N3 . 26842 1 403 . 1 1 21 21 U H1' H 1 5.716 . . 1 . . . . 21 U H1' . 26842 1 404 . 1 1 21 21 U H2' H 1 4.491 . . 1 . . . . 21 U H2' . 26842 1 405 . 1 1 21 21 U H3 H 1 13.621 . . 1 . . . . 21 U H3 . 26842 1 406 . 1 1 21 21 U H3' H 1 4.541 . . 1 . . . . 21 U H3' . 26842 1 407 . 1 1 21 21 U H4' H 1 4.458 . . 1 . . . . 21 U H4' . 26842 1 408 . 1 1 21 21 U H5 H 1 5.611 . . 1 . . . . 21 U H5 . 26842 1 409 . 1 1 21 21 U H5' H 1 4.575 . . 1 . . . . 21 U H5' . 26842 1 410 . 1 1 21 21 U H5'' H 1 4.127 . . 1 . . . . 21 U H5'' . 26842 1 411 . 1 1 21 21 U H6 H 1 8.007 . . 1 . . . . 21 U H6 . 26842 1 412 . 1 1 21 21 U C1' C 13 93.27 . . 1 . . . . 21 U C1' . 26842 1 413 . 1 1 21 21 U C2 C 13 152.703 . . 1 . . . . 21 U C2 . 26842 1 414 . 1 1 21 21 U C2' C 13 75.258 . . 1 . . . . 21 U C2' . 26842 1 415 . 1 1 21 21 U C3' C 13 72.467 . . 1 . . . . 21 U C3' . 26842 1 416 . 1 1 21 21 U C4 C 13 169.113 . . 1 . . . . 21 U C4 . 26842 1 417 . 1 1 21 21 U C4' C 13 82.031 . . 1 . . . . 21 U C4' . 26842 1 418 . 1 1 21 21 U C5 C 13 103.211 . . 1 . . . . 21 U C5 . 26842 1 419 . 1 1 21 21 U C5' C 13 64.342 . . 1 . . . . 21 U C5' . 26842 1 420 . 1 1 21 21 U C6 C 13 142.415 . . 1 . . . . 21 U C6 . 26842 1 421 . 1 1 21 21 U N1 N 15 147.21 . . 1 . . . . 21 U N1 . 26842 1 422 . 1 1 21 21 U N3 N 15 162.388 . . 1 . . . . 21 U N3 . 26842 1 423 . 1 1 22 22 C H1' H 1 5.558 . . 1 . . . . 22 C H1' . 26842 1 424 . 1 1 22 22 C H2' H 1 4.498 . . 1 . . . . 22 C H2' . 26842 1 425 . 1 1 22 22 C H3' H 1 4.199 . . 1 . . . . 22 C H3' . 26842 1 426 . 1 1 22 22 C H4' H 1 4.442 . . 1 . . . . 22 C H4' . 26842 1 427 . 1 1 22 22 C H5 H 1 5.629 . . 1 . . . . 22 C H5 . 26842 1 428 . 1 1 22 22 C H5' H 1 4.454 . . 1 . . . . 22 C H5' . 26842 1 429 . 1 1 22 22 C H5'' H 1 4.109 . . 1 . . . . 22 C H5'' . 26842 1 430 . 1 1 22 22 C H6 H 1 7.716 . . 1 . . . . 22 C H6 . 26842 1 431 . 1 1 22 22 C H41 H 1 8.198 . . 1 . . . . 22 C H41 . 26842 1 432 . 1 1 22 22 C H42 H 1 6.988 . . 1 . . . . 22 C H42 . 26842 1 433 . 1 1 22 22 C C1' C 13 93.641 . . 1 . . . . 22 C C1' . 26842 1 434 . 1 1 22 22 C C2' C 13 75.424 . . 1 . . . . 22 C C2' . 26842 1 435 . 1 1 22 22 C C3' C 13 72.44 . . 1 . . . . 22 C C3' . 26842 1 436 . 1 1 22 22 C C4' C 13 81.601 . . 1 . . . . 22 C C4' . 26842 1 437 . 1 1 22 22 C C5 C 13 97.837 . . 1 . . . . 22 C C5 . 26842 1 438 . 1 1 22 22 C C5' C 13 65.223 . . 1 . . . . 22 C C5' . 26842 1 439 . 1 1 22 22 C C6 C 13 141.232 . . 1 . . . . 22 C C6 . 26842 1 440 . 1 1 22 22 C N1 N 15 151.731 . . 1 . . . . 22 C N1 . 26842 1 441 . 1 1 22 22 C N3 N 15 196.547 . . 1 . . . . 22 C N3 . 26842 1 442 . 1 1 22 22 C N4 N 15 98.525 . . 1 . . . . 22 C N4 . 26842 1 443 . 1 1 23 23 U H1' H 1 5.429 . . 1 . . . . 23 U H1' . 26842 1 444 . 1 1 23 23 U H2' H 1 4.124 . . 1 . . . . 23 U H2' . 26842 1 445 . 1 1 23 23 U H3 H 1 11.362 . . 1 . . . . 23 U H3 . 26842 1 446 . 1 1 23 23 U H3' H 1 4.312 . . 1 . . . . 23 U H3' . 26842 1 447 . 1 1 23 23 U H4' H 1 4.359 . . 1 . . . . 23 U H4' . 26842 1 448 . 1 1 23 23 U H5 H 1 5.619 . . 1 . . . . 23 U H5 . 26842 1 449 . 1 1 23 23 U H6 H 1 7.749 . . 1 . . . . 23 U H6 . 26842 1 450 . 1 1 23 23 U C1' C 13 94.694 . . 1 . . . . 23 U C1' . 26842 1 451 . 1 1 23 23 U C2 C 13 154.168 . . 1 . . . . 23 U C2 . 26842 1 452 . 1 1 23 23 U C2' C 13 74.874 . . 1 . . . . 23 U C2' . 26842 1 453 . 1 1 23 23 U C3' C 13 72.126 . . 1 . . . . 23 U C3' . 26842 1 454 . 1 1 23 23 U C4 C 13 166.662 . . 1 . . . . 23 U C4 . 26842 1 455 . 1 1 23 23 U C4' C 13 82.472 . . 1 . . . . 23 U C4' . 26842 1 456 . 1 1 23 23 U C5 C 13 104.779 . . 1 . . . . 23 U C5 . 26842 1 457 . 1 1 23 23 U C6 C 13 140.735 . . 1 . . . . 23 U C6 . 26842 1 458 . 1 1 23 23 U N1 N 15 145.523 . . 1 . . . . 23 U N1 . 26842 1 459 . 1 1 23 23 U N3 N 15 157.583 . . 1 . . . . 23 U N3 . 26842 1 460 . 1 1 24 24 U H1' H 1 5.814 . . 1 . . . . 24 U H1' . 26842 1 461 . 1 1 24 24 U H2' H 1 4.14 . . 1 . . . . 24 U H2' . 26842 1 462 . 1 1 24 24 U H3 H 1 11.095 . . 1 . . . . 24 U H3 . 26842 1 463 . 1 1 24 24 U H3' H 1 4.668 . . 1 . . . . 24 U H3' . 26842 1 464 . 1 1 24 24 U H4' H 1 4.56 . . 1 . . . . 24 U H4' . 26842 1 465 . 1 1 24 24 U H5 H 1 5.506 . . 1 . . . . 24 U H5 . 26842 1 466 . 1 1 24 24 U H5' H 1 4.488 . . 1 . . . . 24 U H5' . 26842 1 467 . 1 1 24 24 U H5'' H 1 4.017 . . 1 . . . . 24 U H5'' . 26842 1 468 . 1 1 24 24 U H6 H 1 7.694 . . 1 . . . . 24 U H6 . 26842 1 469 . 1 1 24 24 U C1' C 13 89.018 . . 1 . . . . 24 U C1' . 26842 1 470 . 1 1 24 24 U C2 C 13 153.52 . . 1 . . . . 24 U C2 . 26842 1 471 . 1 1 24 24 U C2' C 13 75.869 . . 1 . . . . 24 U C2' . 26842 1 472 . 1 1 24 24 U C3' C 13 78.082 . . 1 . . . . 24 U C3' . 26842 1 473 . 1 1 24 24 U C4 C 13 167.362 . . 1 . . . . 24 U C4 . 26842 1 474 . 1 1 24 24 U C4' C 13 85.742 . . 1 . . . . 24 U C4' . 26842 1 475 . 1 1 24 24 U C5 C 13 104.584 . . 1 . . . . 24 U C5 . 26842 1 476 . 1 1 24 24 U C5' C 13 67.268 . . 1 . . . . 24 U C5' . 26842 1 477 . 1 1 24 24 U C6 C 13 142.943 . . 1 . . . . 24 U C6 . 26842 1 478 . 1 1 24 24 U N1 N 15 142.559 . . 1 . . . . 24 U N1 . 26842 1 479 . 1 1 24 24 U N3 N 15 157.51 . . 1 . . . . 24 U N3 . 26842 1 480 . 1 1 25 25 G H1 H 1 9.864 . . 1 . . . . 25 G H1 . 26842 1 481 . 1 1 25 25 G H1' H 1 5.691 . . 1 . . . . 25 G H1' . 26842 1 482 . 1 1 25 25 G H2' H 1 4.872 . . 1 . . . . 25 G H2' . 26842 1 483 . 1 1 25 25 G H3' H 1 4.675 . . 1 . . . . 25 G H3' . 26842 1 484 . 1 1 25 25 G H4' H 1 4.79 . . 1 . . . . 25 G H4' . 26842 1 485 . 1 1 25 25 G H5' H 1 4.411 . . 1 . . . . 25 G H5' . 26842 1 486 . 1 1 25 25 G H5'' H 1 4.172 . . 1 . . . . 25 G H5'' . 26842 1 487 . 1 1 25 25 G H8 H 1 7.962 . . 1 . . . . 25 G H8 . 26842 1 488 . 1 1 25 25 G C1' C 13 94.162 . . 1 . . . . 25 G C1' . 26842 1 489 . 1 1 25 25 G C2 C 13 154.752 . . 1 . . . . 25 G C2 . 26842 1 490 . 1 1 25 25 G C2' C 13 74.713 . . 1 . . . . 25 G C2' . 26842 1 491 . 1 1 25 25 G C3' C 13 71.971 . . 1 . . . . 25 G C3' . 26842 1 492 . 1 1 25 25 G C4 C 13 149.922 . . 1 . . . . 25 G C4 . 26842 1 493 . 1 1 25 25 G C4' C 13 82.694 . . 1 . . . . 25 G C4' . 26842 1 494 . 1 1 25 25 G C5 C 13 119.401 . . 1 . . . . 25 G C5 . 26842 1 495 . 1 1 25 25 G C5' C 13 64.9 . . 1 . . . . 25 G C5' . 26842 1 496 . 1 1 25 25 G C6 C 13 158.553 . . 1 . . . . 25 G C6 . 26842 1 497 . 1 1 25 25 G C8 C 13 138.351 . . 1 . . . . 25 G C8 . 26842 1 498 . 1 1 25 25 G N1 N 15 145.499 . . 1 . . . . 25 G N1 . 26842 1 499 . 1 1 25 25 G N2 N 15 71.495 . . 1 . . . . 25 G N2 . 26842 1 500 . 1 1 25 25 G N7 N 15 232.127 . . 1 . . . . 25 G N7 . 26842 1 501 . 1 1 25 25 G N9 N 15 170.183 . . 1 . . . . 25 G N9 . 26842 1 502 . 1 1 26 26 G H1 H 1 13.038 . . 1 . . . . 26 G H1 . 26842 1 503 . 1 1 26 26 G H1' H 1 5.652 . . 1 . . . . 26 G H1' . 26842 1 504 . 1 1 26 26 G H2' H 1 4.502 . . 1 . . . . 26 G H2' . 26842 1 505 . 1 1 26 26 G H3' H 1 4.455 . . 1 . . . . 26 G H3' . 26842 1 506 . 1 1 26 26 G H4' H 1 4.448 . . 1 . . . . 26 G H4' . 26842 1 507 . 1 1 26 26 G H8 H 1 7.272 . . 1 . . . . 26 G H8 . 26842 1 508 . 1 1 26 26 G H21 H 1 8.574 . . 1 . . . . 26 G H21 . 26842 1 509 . 1 1 26 26 G H22 H 1 6.623 . . 1 . . . . 26 G H22 . 26842 1 510 . 1 1 26 26 G C1' C 13 92.783 . . 1 . . . . 26 G C1' . 26842 1 511 . 1 1 26 26 G C2' C 13 75.137 . . 1 . . . . 26 G C2' . 26842 1 512 . 1 1 26 26 G C3' C 13 71.819 . . 1 . . . . 26 G C3' . 26842 1 513 . 1 1 26 26 G C4' C 13 81.954 . . 1 . . . . 26 G C4' . 26842 1 514 . 1 1 26 26 G C5 C 13 119.45 . . 1 . . . . 26 G C5 . 26842 1 515 . 1 1 26 26 G C8 C 13 136.046 . . 1 . . . . 26 G C8 . 26842 1 516 . 1 1 26 26 G N1 N 15 151.321 . . 1 . . . . 26 G N1 . 26842 1 517 . 1 1 26 26 G N2 N 15 73.654 . . 1 . . . . 26 G N2 . 26842 1 518 . 1 1 26 26 G N7 N 15 233.965 . . 1 . . . . 26 G N7 . 26842 1 519 . 1 1 26 26 G N9 N 15 170.44 . . 1 . . . . 26 G N9 . 26842 1 520 . 1 1 27 27 C H1' H 1 5.515 . . 1 . . . . 27 C H1' . 26842 1 521 . 1 1 27 27 C H2' H 1 4.168 . . 1 . . . . 27 C H2' . 26842 1 522 . 1 1 27 27 C H3' H 1 4.452 . . 1 . . . . 27 C H3' . 26842 1 523 . 1 1 27 27 C H5 H 1 5.202 . . 1 . . . . 27 C H5 . 26842 1 524 . 1 1 27 27 C H6 H 1 7.429 . . 1 . . . . 27 C H6 . 26842 1 525 . 1 1 27 27 C H41 H 1 8.324 . . 1 . . . . 27 C H41 . 26842 1 526 . 1 1 27 27 C H42 H 1 6.912 . . 1 . . . . 27 C H42 . 26842 1 527 . 1 1 27 27 C C1' C 13 94.486 . . 1 . . . . 27 C C1' . 26842 1 528 . 1 1 27 27 C C2' C 13 74.981 . . 1 . . . . 27 C C2' . 26842 1 529 . 1 1 27 27 C C3' C 13 71.613 . . 1 . . . . 27 C C3' . 26842 1 530 . 1 1 27 27 C C5 C 13 97.228 . . 1 . . . . 27 C C5 . 26842 1 531 . 1 1 27 27 C C6 C 13 140.232 . . 1 . . . . 27 C C6 . 26842 1 532 . 1 1 27 27 C N1 N 15 150.912 . . 1 . . . . 27 C N1 . 26842 1 533 . 1 1 27 27 C N3 N 15 197.19 . . 1 . . . . 27 C N3 . 26842 1 534 . 1 1 27 27 C N4 N 15 98.68 . . 1 . . . . 27 C N4 . 26842 1 535 . 1 1 28 28 U H1' H 1 5.389 . . 1 . . . . 28 U H1' . 26842 1 536 . 1 1 28 28 U H2' H 1 4.472 . . 1 . . . . 28 U H2' . 26842 1 537 . 1 1 28 28 U H3 H 1 13.581 . . 1 . . . . 28 U H3 . 26842 1 538 . 1 1 28 28 U H3' H 1 4.629 . . 1 . . . . 28 U H3' . 26842 1 539 . 1 1 28 28 U H4' H 1 4.401 . . 1 . . . . 28 U H4' . 26842 1 540 . 1 1 28 28 U H5 H 1 5.341 . . 1 . . . . 28 U H5 . 26842 1 541 . 1 1 28 28 U H6 H 1 7.884 . . 1 . . . . 28 U H6 . 26842 1 542 . 1 1 28 28 U C1' C 13 93.328 . . 1 . . . . 28 U C1' . 26842 1 543 . 1 1 28 28 U C2 C 13 152.403 . . 1 . . . . 28 U C2 . 26842 1 544 . 1 1 28 28 U C2' C 13 74.994 . . 1 . . . . 28 U C2' . 26842 1 545 . 1 1 28 28 U C3' C 13 71.769 . . 1 . . . . 28 U C3' . 26842 1 546 . 1 1 28 28 U C4 C 13 169.312 . . 1 . . . . 28 U C4 . 26842 1 547 . 1 1 28 28 U C4' C 13 81.801 . . 1 . . . . 28 U C4' . 26842 1 548 . 1 1 28 28 U C5 C 13 103.113 . . 1 . . . . 28 U C5 . 26842 1 549 . 1 1 28 28 U C6 C 13 141.434 . . 1 . . . . 28 U C6 . 26842 1 550 . 1 1 28 28 U N1 N 15 145.467 . . 1 . . . . 28 U N1 . 26842 1 551 . 1 1 28 28 U N3 N 15 162.155 . . 1 . . . . 28 U N3 . 26842 1 552 . 1 1 29 29 G H1 H 1 12.424 . . 1 . . . . 29 G H1 . 26842 1 553 . 1 1 29 29 G H1' H 1 5.754 . . 1 . . . . 29 G H1' . 26842 1 554 . 1 1 29 29 G H2' H 1 4.452 . . 1 . . . . 29 G H2' . 26842 1 555 . 1 1 29 29 G H3' H 1 4.571 . . 1 . . . . 29 G H3' . 26842 1 556 . 1 1 29 29 G H4' H 1 4.453 . . 1 . . . . 29 G H4' . 26842 1 557 . 1 1 29 29 G H5' H 1 4.481 . . 1 . . . . 29 G H5' . 26842 1 558 . 1 1 29 29 G H5'' H 1 4.099 . . 1 . . . . 29 G H5'' . 26842 1 559 . 1 1 29 29 G H8 H 1 7.645 . . 1 . . . . 29 G H8 . 26842 1 560 . 1 1 29 29 G C1' C 13 92.254 . . 1 . . . . 29 G C1' . 26842 1 561 . 1 1 29 29 G C2' C 13 75.083 . . 1 . . . . 29 G C2' . 26842 1 562 . 1 1 29 29 G C3' C 13 72.518 . . 1 . . . . 29 G C3' . 26842 1 563 . 1 1 29 29 G C4 C 13 151.722 . . 1 . . . . 29 G C4 . 26842 1 564 . 1 1 29 29 G C4' C 13 81.75 . . 1 . . . . 29 G C4' . 26842 1 565 . 1 1 29 29 G C5 C 13 118.481 . . 1 . . . . 29 G C5 . 26842 1 566 . 1 1 29 29 G C5' C 13 64.823 . . 1 . . . . 29 G C5' . 26842 1 567 . 1 1 29 29 G C8 C 13 136.002 . . 1 . . . . 29 G C8 . 26842 1 568 . 1 1 29 29 G N1 N 15 147.153 . . 1 . . . . 29 G N1 . 26842 1 569 . 1 1 29 29 G N2 N 15 75.37 . . 1 . . . . 29 G N2 . 26842 1 570 . 1 1 29 29 G N7 N 15 233.664 . . 1 . . . . 29 G N7 . 26842 1 571 . 1 1 29 29 G N9 N 15 169.461 . . 1 . . . . 29 G N9 . 26842 1 572 . 1 1 30 30 C H1' H 1 5.433 . . 1 . . . . 30 C H1' . 26842 1 573 . 1 1 30 30 C H2' H 1 4.412 . . 1 . . . . 30 C H2' . 26842 1 574 . 1 1 30 30 C H3' H 1 4.214 . . 1 . . . . 30 C H3' . 26842 1 575 . 1 1 30 30 C H4' H 1 4.398 . . 1 . . . . 30 C H4' . 26842 1 576 . 1 1 30 30 C H5 H 1 5.111 . . 1 . . . . 30 C H5 . 26842 1 577 . 1 1 30 30 C H5' H 1 4.478 . . 1 . . . . 30 C H5' . 26842 1 578 . 1 1 30 30 C H5'' H 1 4.043 . . 1 . . . . 30 C H5'' . 26842 1 579 . 1 1 30 30 C H6 H 1 7.445 . . 1 . . . . 30 C H6 . 26842 1 580 . 1 1 30 30 C H41 H 1 8.466 . . 1 . . . . 30 C H41 . 26842 1 581 . 1 1 30 30 C H42 H 1 6.852 . . 1 . . . . 30 C H42 . 26842 1 582 . 1 1 30 30 C C1' C 13 93.55 . . 1 . . . . 30 C C1' . 26842 1 583 . 1 1 30 30 C C2' C 13 75.124 . . 1 . . . . 30 C C2' . 26842 1 584 . 1 1 30 30 C C3' C 13 71.678 . . 1 . . . . 30 C C3' . 26842 1 585 . 1 1 30 30 C C4' C 13 81.553 . . 1 . . . . 30 C C4' . 26842 1 586 . 1 1 30 30 C C5 C 13 97.032 . . 1 . . . . 30 C C5 . 26842 1 587 . 1 1 30 30 C C5' C 13 64.174 . . 1 . . . . 30 C C5' . 26842 1 588 . 1 1 30 30 C C6 C 13 140.345 . . 1 . . . . 30 C C6 . 26842 1 589 . 1 1 30 30 C N1 N 15 151.122 . . 1 . . . . 30 C N1 . 26842 1 590 . 1 1 30 30 C N3 N 15 195.641 . . 1 . . . . 30 C N3 . 26842 1 591 . 1 1 30 30 C N4 N 15 99.31 . . 1 . . . . 30 C N4 . 26842 1 592 . 1 1 31 31 U H1' H 1 5.627 . . 1 . . . . 31 U H1' . 26842 1 593 . 1 1 31 31 U H2' H 1 3.755 . . 1 . . . . 31 U H2' . 26842 1 594 . 1 1 31 31 U H3 H 1 11.691 . . 1 . . . . 31 U H3 . 26842 1 595 . 1 1 31 31 U H3' H 1 4.514 . . 1 . . . . 31 U H3' . 26842 1 596 . 1 1 31 31 U H4' H 1 4.338 . . 1 . . . . 31 U H4' . 26842 1 597 . 1 1 31 31 U H5 H 1 5.686 . . 1 . . . . 31 U H5 . 26842 1 598 . 1 1 31 31 U H5' H 1 4.487 . . 1 . . . . 31 U H5' . 26842 1 599 . 1 1 31 31 U H5'' H 1 4.079 . . 1 . . . . 31 U H5'' . 26842 1 600 . 1 1 31 31 U H6 H 1 7.731 . . 1 . . . . 31 U H6 . 26842 1 601 . 1 1 31 31 U C1' C 13 94.353 . . 1 . . . . 31 U C1' . 26842 1 602 . 1 1 31 31 U C2 C 13 152.931 . . 1 . . . . 31 U C2 . 26842 1 603 . 1 1 31 31 U C2' C 13 75.732 . . 1 . . . . 31 U C2' . 26842 1 604 . 1 1 31 31 U C3' C 13 72.999 . . 1 . . . . 31 U C3' . 26842 1 605 . 1 1 31 31 U C4 C 13 167.816 . . 1 . . . . 31 U C4 . 26842 1 606 . 1 1 31 31 U C4' C 13 82.276 . . 1 . . . . 31 U C4' . 26842 1 607 . 1 1 31 31 U C5 C 13 104.961 . . 1 . . . . 31 U C5 . 26842 1 608 . 1 1 31 31 U C5' C 13 64.156 . . 1 . . . . 31 U C5' . 26842 1 609 . 1 1 31 31 U C6 C 13 140.488 . . 1 . . . . 31 U C6 . 26842 1 610 . 1 1 31 31 U N1 N 15 146.737 . . 1 . . . . 31 U N1 . 26842 1 611 . 1 1 31 31 U N3 N 15 159.617 . . 1 . . . . 31 U N3 . 26842 1 612 . 1 1 32 32 U H1' H 1 6.095 . . 1 . . . . 32 U H1' . 26842 1 613 . 1 1 32 32 U H2' H 1 4.648 . . 1 . . . . 32 U H2' . 26842 1 614 . 1 1 32 32 U H3' H 1 4.017 . . 1 . . . . 32 U H3' . 26842 1 615 . 1 1 32 32 U H4' H 1 4.472 . . 1 . . . . 32 U H4' . 26842 1 616 . 1 1 32 32 U H5 H 1 5.845 . . 1 . . . . 32 U H5 . 26842 1 617 . 1 1 32 32 U H5' H 1 4.222 . . 1 . . . . 32 U H5' . 26842 1 618 . 1 1 32 32 U H5'' H 1 3.998 . . 1 . . . . 32 U H5'' . 26842 1 619 . 1 1 32 32 U H6 H 1 8.006 . . 1 . . . . 32 U H6 . 26842 1 620 . 1 1 32 32 U HO2' H 1 6.574 . . 1 . . . . 32 U HO2' . 26842 1 621 . 1 1 32 32 U C1' C 13 89.113 . . 1 . . . . 32 U C1' . 26842 1 622 . 1 1 32 32 U C2 C 13 155.037 . . 1 . . . . 32 U C2 . 26842 1 623 . 1 1 32 32 U C2' C 13 74.52 . . 1 . . . . 32 U C2' . 26842 1 624 . 1 1 32 32 U C3' C 13 77.614 . . 1 . . . . 32 U C3' . 26842 1 625 . 1 1 32 32 U C4 C 13 168.833 . . 1 . . . . 32 U C4 . 26842 1 626 . 1 1 32 32 U C4' C 13 86.884 . . 1 . . . . 32 U C4' . 26842 1 627 . 1 1 32 32 U C5 C 13 105.379 . . 1 . . . . 32 U C5 . 26842 1 628 . 1 1 32 32 U C5' C 13 67.701 . . 1 . . . . 32 U C5' . 26842 1 629 . 1 1 32 32 U C6 C 13 144.552 . . 1 . . . . 32 U C6 . 26842 1 630 . 1 1 32 32 U N1 N 15 143.704 . . 1 . . . . 32 U N1 . 26842 1 631 . 1 1 32 32 U P P 31 -2.072 . . 1 . . . . 32 U P . 26842 1 632 . 1 1 33 33 C H1' H 1 5.927 . . 1 . . . . 33 C H1' . 26842 1 633 . 1 1 33 33 C H2' H 1 4.086 . . 1 . . . . 33 C H2' . 26842 1 634 . 1 1 33 33 C H3' H 1 4.466 . . 1 . . . . 33 C H3' . 26842 1 635 . 1 1 33 33 C H4' H 1 3.78 . . 1 . . . . 33 C H4' . 26842 1 636 . 1 1 33 33 C H5 H 1 6.109 . . 1 . . . . 33 C H5 . 26842 1 637 . 1 1 33 33 C H5' H 1 3.589 . . 1 . . . . 33 C H5' . 26842 1 638 . 1 1 33 33 C H5'' H 1 2.682 . . 1 . . . . 33 C H5'' . 26842 1 639 . 1 1 33 33 C H6 H 1 7.675 . . 1 . . . . 33 C H6 . 26842 1 640 . 1 1 33 33 C H41 H 1 7.169 . . 1 . . . . 33 C H41 . 26842 1 641 . 1 1 33 33 C H42 H 1 6.297 . . 1 . . . . 33 C H42 . 26842 1 642 . 1 1 33 33 C C1' C 13 88.948 . . 1 . . . . 33 C C1' . 26842 1 643 . 1 1 33 33 C C2' C 13 77.402 . . 1 . . . . 33 C C2' . 26842 1 644 . 1 1 33 33 C C3' C 13 80.065 . . 1 . . . . 33 C C3' . 26842 1 645 . 1 1 33 33 C C4' C 13 84.241 . . 1 . . . . 33 C C4' . 26842 1 646 . 1 1 33 33 C C5 C 13 98.514 . . 1 . . . . 33 C C5 . 26842 1 647 . 1 1 33 33 C C5' C 13 67.187 . . 1 . . . . 33 C C5' . 26842 1 648 . 1 1 33 33 C C6 C 13 142.695 . . 1 . . . . 33 C C6 . 26842 1 649 . 1 1 33 33 C N1 N 15 150.503 . . 1 . . . . 33 C N1 . 26842 1 650 . 1 1 33 33 C N3 N 15 202.71 . . 1 . . . . 33 C N3 . 26842 1 651 . 1 1 33 33 C N4 N 15 93.548 . . 1 . . . . 33 C N4 . 26842 1 652 . 1 1 34 34 G H1 H 1 9.904 . . 1 . . . . 34 G H1 . 26842 1 653 . 1 1 34 34 G H1' H 1 5.96 . . 1 . . . . 34 G H1' . 26842 1 654 . 1 1 34 34 G H2' H 1 4.808 . . 1 . . . . 34 G H2' . 26842 1 655 . 1 1 34 34 G H3' H 1 5.601 . . 1 . . . . 34 G H3' . 26842 1 656 . 1 1 34 34 G H4' H 1 4.381 . . 1 . . . . 34 G H4' . 26842 1 657 . 1 1 34 34 G H5' H 1 4.188 . . 1 . . . . 34 G H5' . 26842 1 658 . 1 1 34 34 G H5'' H 1 4.392 . . 1 . . . . 34 G H5'' . 26842 1 659 . 1 1 34 34 G H8 H 1 7.856 . . 1 . . . . 34 G H8 . 26842 1 660 . 1 1 34 34 G C1' C 13 94.421 . . 1 . . . . 34 G C1' . 26842 1 661 . 1 1 34 34 G C2 C 13 155.493 . . 1 . . . . 34 G C2 . 26842 1 662 . 1 1 34 34 G C2' C 13 77.066 . . 1 . . . . 34 G C2' . 26842 1 663 . 1 1 34 34 G C3' C 13 75.778 . . 1 . . . . 34 G C3' . 26842 1 664 . 1 1 34 34 G C4' C 13 82.862 . . 1 . . . . 34 G C4' . 26842 1 665 . 1 1 34 34 G C5 C 13 118.667 . . 1 . . . . 34 G C5 . 26842 1 666 . 1 1 34 34 G C5' C 13 68.855 . . 1 . . . . 34 G C5' . 26842 1 667 . 1 1 34 34 G C6 C 13 161.448 . . 1 . . . . 34 G C6 . 26842 1 668 . 1 1 34 34 G C8 C 13 142.817 . . 1 . . . . 34 G C8 . 26842 1 669 . 1 1 34 34 G N1 N 15 143.166 . . 1 . . . . 34 G N1 . 26842 1 670 . 1 1 34 34 G N2 N 15 74.269 . . 1 . . . . 34 G N2 . 26842 1 671 . 1 1 34 34 G N7 N 15 231.367 . . 1 . . . . 34 G N7 . 26842 1 672 . 1 1 34 34 G N9 N 15 171.571 . . 1 . . . . 34 G N9 . 26842 1 673 . 1 1 35 35 G H1 H 1 13.368 . . 1 . . . . 35 G H1 . 26842 1 674 . 1 1 35 35 G H1' H 1 4.418 . . 1 . . . . 35 G H1' . 26842 1 675 . 1 1 35 35 G H2' H 1 4.411 . . 1 . . . . 35 G H2' . 26842 1 676 . 1 1 35 35 G H3' H 1 4.226 . . 1 . . . . 35 G H3' . 26842 1 677 . 1 1 35 35 G H4' H 1 4.379 . . 1 . . . . 35 G H4' . 26842 1 678 . 1 1 35 35 G H5' H 1 4.262 . . 1 . . . . 35 G H5' . 26842 1 679 . 1 1 35 35 G H5'' H 1 4.476 . . 1 . . . . 35 G H5'' . 26842 1 680 . 1 1 35 35 G H8 H 1 8.271 . . 1 . . . . 35 G H8 . 26842 1 681 . 1 1 35 35 G H21 H 1 8.757 . . 1 . . . . 35 G H21 . 26842 1 682 . 1 1 35 35 G H22 H 1 6.441 . . 1 . . . . 35 G H22 . 26842 1 683 . 1 1 35 35 G C1' C 13 93.115 . . 1 . . . . 35 G C1' . 26842 1 684 . 1 1 35 35 G C2 C 13 156.89 . . 1 . . . . 35 G C2 . 26842 1 685 . 1 1 35 35 G C2' C 13 74.726 . . 1 . . . . 35 G C2' . 26842 1 686 . 1 1 35 35 G C3' C 13 74.453 . . 1 . . . . 35 G C3' . 26842 1 687 . 1 1 35 35 G C4 C 13 152.138 . . 1 . . . . 35 G C4 . 26842 1 688 . 1 1 35 35 G C4' C 13 82.937 . . 1 . . . . 35 G C4' . 26842 1 689 . 1 1 35 35 G C5 C 13 119.046 . . 1 . . . . 35 G C5 . 26842 1 690 . 1 1 35 35 G C5' C 13 69.561 . . 1 . . . . 35 G C5' . 26842 1 691 . 1 1 35 35 G C6 C 13 162.274 . . 1 . . . . 35 G C6 . 26842 1 692 . 1 1 35 35 G C8 C 13 138.749 . . 1 . . . . 35 G C8 . 26842 1 693 . 1 1 35 35 G N1 N 15 148.072 . . 1 . . . . 35 G N1 . 26842 1 694 . 1 1 35 35 G N2 N 15 75.511 . . 1 . . . . 35 G N2 . 26842 1 695 . 1 1 35 35 G N7 N 15 232.304 . . 1 . . . . 35 G N7 . 26842 1 696 . 1 1 35 35 G N9 N 15 170.277 . . 1 . . . . 35 G N9 . 26842 1 697 . 1 1 36 36 C H1' H 1 5.475 . . 1 . . . . 36 C H1' . 26842 1 698 . 1 1 36 36 C H2' H 1 4.66 . . 1 . . . . 36 C H2' . 26842 1 699 . 1 1 36 36 C H3' H 1 4.498 . . 1 . . . . 36 C H3' . 26842 1 700 . 1 1 36 36 C H4' H 1 4.357 . . 1 . . . . 36 C H4' . 26842 1 701 . 1 1 36 36 C H5 H 1 5.232 . . 1 . . . . 36 C H5 . 26842 1 702 . 1 1 36 36 C H5' H 1 4.465 . . 1 . . . . 36 C H5' . 26842 1 703 . 1 1 36 36 C H5'' H 1 4.02 . . 1 . . . . 36 C H5'' . 26842 1 704 . 1 1 36 36 C H6 H 1 7.648 . . 1 . . . . 36 C H6 . 26842 1 705 . 1 1 36 36 C H41 H 1 8.466 . . 1 . . . . 36 C H41 . 26842 1 706 . 1 1 36 36 C H42 H 1 6.806 . . 1 . . . . 36 C H42 . 26842 1 707 . 1 1 36 36 C C1' C 13 93.598 . . 1 . . . . 36 C C1' . 26842 1 708 . 1 1 36 36 C C2' C 13 75.115 . . 1 . . . . 36 C C2' . 26842 1 709 . 1 1 36 36 C C3' C 13 71.825 . . 1 . . . . 36 C C3' . 26842 1 710 . 1 1 36 36 C C4' C 13 81.539 . . 1 . . . . 36 C C4' . 26842 1 711 . 1 1 36 36 C C5 C 13 97.137 . . 1 . . . . 36 C C5 . 26842 1 712 . 1 1 36 36 C C5' C 13 64.029 . . 1 . . . . 36 C C5' . 26842 1 713 . 1 1 36 36 C C6 C 13 140.835 . . 1 . . . . 36 C C6 . 26842 1 714 . 1 1 36 36 C N1 N 15 151.056 . . 1 . . . . 36 C N1 . 26842 1 715 . 1 1 36 36 C N3 N 15 196.615 . . 1 . . . . 36 C N3 . 26842 1 716 . 1 1 36 36 C N4 N 15 97.389 . . 1 . . . . 36 C N4 . 26842 1 717 . 1 1 37 37 A H1' H 1 5.893 . . 1 . . . . 37 A H1' . 26842 1 718 . 1 1 37 37 A H2 H 1 6.807 . . 1 . . . . 37 A H2 . 26842 1 719 . 1 1 37 37 A H2' H 1 4.665 . . 1 . . . . 37 A H2' . 26842 1 720 . 1 1 37 37 A H3' H 1 4.541 . . 1 . . . . 37 A H3' . 26842 1 721 . 1 1 37 37 A H4' H 1 4.511 . . 1 . . . . 37 A H4' . 26842 1 722 . 1 1 37 37 A H5' H 1 4.458 . . 1 . . . . 37 A H5' . 26842 1 723 . 1 1 37 37 A H5'' H 1 4.1 . . 1 . . . . 37 A H5'' . 26842 1 724 . 1 1 37 37 A H8 H 1 7.884 . . 1 . . . . 37 A H8 . 26842 1 725 . 1 1 37 37 A H61 H 1 6.304 . . 1 . . . . 37 A H61 . 26842 1 726 . 1 1 37 37 A H62 H 1 6.304 . . 1 . . . . 37 A H62 . 26842 1 727 . 1 1 37 37 A C1' C 13 93.101 . . 1 . . . . 37 A C1' . 26842 1 728 . 1 1 37 37 A C2 C 13 151.887 . . 1 . . . . 37 A C2 . 26842 1 729 . 1 1 37 37 A C2' C 13 75.178 . . 1 . . . . 37 A C2' . 26842 1 730 . 1 1 37 37 A C3' C 13 72.851 . . 1 . . . . 37 A C3' . 26842 1 731 . 1 1 37 37 A C4 C 13 148.229 . . 1 . . . . 37 A C4 . 26842 1 732 . 1 1 37 37 A C4' C 13 81.749 . . 1 . . . . 37 A C4' . 26842 1 733 . 1 1 37 37 A C5 C 13 120.711 . . 1 . . . . 37 A C5 . 26842 1 734 . 1 1 37 37 A C5' C 13 65.405 . . 1 . . . . 37 A C5' . 26842 1 735 . 1 1 37 37 A C6 C 13 156.96 . . 1 . . . . 37 A C6 . 26842 1 736 . 1 1 37 37 A C8 C 13 139.155 . . 1 . . . . 37 A C8 . 26842 1 737 . 1 1 37 37 A N1 N 15 219.972 . . 1 . . . . 37 A N1 . 26842 1 738 . 1 1 37 37 A N3 N 15 214.036 . . 1 . . . . 37 A N3 . 26842 1 739 . 1 1 37 37 A N6 N 15 81.786 . . 1 . . . . 37 A N6 . 26842 1 740 . 1 1 37 37 A N7 N 15 229.924 . . 1 . . . . 37 A N7 . 26842 1 741 . 1 1 37 37 A N9 N 15 170.264 . . 1 . . . . 37 A N9 . 26842 1 742 . 1 1 38 38 G H1 H 1 12.736 . . 1 . . . . 38 G H1 . 26842 1 743 . 1 1 38 38 G H1' H 1 5.466 . . 1 . . . . 38 G H1' . 26842 1 744 . 1 1 38 38 G H2' H 1 4.158 . . 1 . . . . 38 G H2' . 26842 1 745 . 1 1 38 38 G H3' H 1 4.587 . . 1 . . . . 38 G H3' . 26842 1 746 . 1 1 38 38 G H4' H 1 4.402 . . 1 . . . . 38 G H4' . 26842 1 747 . 1 1 38 38 G H5' H 1 4.548 . . 1 . . . . 38 G H5' . 26842 1 748 . 1 1 38 38 G H5'' H 1 4.061 . . 1 . . . . 38 G H5'' . 26842 1 749 . 1 1 38 38 G H8 H 1 7.17 . . 1 . . . . 38 G H8 . 26842 1 750 . 1 1 38 38 G H21 H 1 7.165 . . 1 . . . . 38 G H21 . 26842 1 751 . 1 1 38 38 G H22 H 1 5.703 . . 1 . . . . 38 G H22 . 26842 1 752 . 1 1 38 38 G C1' C 13 92.609 . . 1 . . . . 38 G C1' . 26842 1 753 . 1 1 38 38 G C2' C 13 75.215 . . 1 . . . . 38 G C2' . 26842 1 754 . 1 1 38 38 G C3' C 13 72.485 . . 1 . . . . 38 G C3' . 26842 1 755 . 1 1 38 38 G C4 C 13 151.229 . . 1 . . . . 38 G C4 . 26842 1 756 . 1 1 38 38 G C4' C 13 81.828 . . 1 . . . . 38 G C4' . 26842 1 757 . 1 1 38 38 G C5 C 13 118.583 . . 1 . . . . 38 G C5 . 26842 1 758 . 1 1 38 38 G C5' C 13 64.57 . . 1 . . . . 38 G C5' . 26842 1 759 . 1 1 38 38 G C8 C 13 136.237 . . 1 . . . . 38 G C8 . 26842 1 760 . 1 1 38 38 G N1 N 15 147.394 . . 1 . . . . 38 G N1 . 26842 1 761 . 1 1 38 38 G N2 N 15 72.976 . . 1 . . . . 38 G N2 . 26842 1 762 . 1 1 38 38 G N9 N 15 169.215 . . 1 . . . . 38 G N9 . 26842 1 763 . 1 1 39 39 A H1' H 1 5.999 . . 1 . . . . 39 A H1' . 26842 1 764 . 1 1 39 39 A H2 H 1 8.012 . . 1 . . . . 39 A H2 . 26842 1 765 . 1 1 39 39 A H2' H 1 4.717 . . 1 . . . . 39 A H2' . 26842 1 766 . 1 1 39 39 A H3' H 1 4.624 . . 1 . . . . 39 A H3' . 26842 1 767 . 1 1 39 39 A H8 H 1 7.786 . . 1 . . . . 39 A H8 . 26842 1 768 . 1 1 39 39 A H61 H 1 6.32 . . 1 . . . . 39 A H61 . 26842 1 769 . 1 1 39 39 A H62 H 1 6.32 . . 1 . . . . 39 A H62 . 26842 1 770 . 1 1 39 39 A C1' C 13 92.609 . . 1 . . . . 39 A C1' . 26842 1 771 . 1 1 39 39 A C2 C 13 155.062 . . 1 . . . . 39 A C2 . 26842 1 772 . 1 1 39 39 A C2' C 13 75.307 . . 1 . . . . 39 A C2' . 26842 1 773 . 1 1 39 39 A C3' C 13 71.778 . . 1 . . . . 39 A C3' . 26842 1 774 . 1 1 39 39 A C4 C 13 148.092 . . 1 . . . . 39 A C4 . 26842 1 775 . 1 1 39 39 A C5 C 13 119.346 . . 1 . . . . 39 A C5 . 26842 1 776 . 1 1 39 39 A C6 C 13 157.337 . . 1 . . . . 39 A C6 . 26842 1 777 . 1 1 39 39 A C8 C 13 139.044 . . 1 . . . . 39 A C8 . 26842 1 778 . 1 1 39 39 A N1 N 15 222.195 . . 1 . . . . 39 A N1 . 26842 1 779 . 1 1 39 39 A N3 N 15 212.282 . . 1 . . . . 39 A N3 . 26842 1 780 . 1 1 39 39 A N6 N 15 83.186 . . 1 . . . . 39 A N6 . 26842 1 781 . 1 1 39 39 A N9 N 15 170.929 . . 1 . . . . 39 A N9 . 26842 1 782 . 1 1 40 40 G H1 H 1 11.36 . . 1 . . . . 40 G H1 . 26842 1 783 . 1 1 40 40 G H1' H 1 5.43 . . 1 . . . . 40 G H1' . 26842 1 784 . 1 1 40 40 G H2' H 1 3.969 . . 1 . . . . 40 G H2' . 26842 1 785 . 1 1 40 40 G H3' H 1 4.543 . . 1 . . . . 40 G H3' . 26842 1 786 . 1 1 40 40 G H4' H 1 4.354 . . 1 . . . . 40 G H4' . 26842 1 787 . 1 1 40 40 G H5' H 1 4.495 . . 1 . . . . 40 G H5' . 26842 1 788 . 1 1 40 40 G H5'' H 1 4.081 . . 1 . . . . 40 G H5'' . 26842 1 789 . 1 1 40 40 G H8 H 1 7.719 . . 1 . . . . 40 G H8 . 26842 1 790 . 1 1 40 40 G H21 H 1 6.204 . . 1 . . . . 40 G H21 . 26842 1 791 . 1 1 40 40 G H22 H 1 5.925 . . 1 . . . . 40 G H22 . 26842 1 792 . 1 1 40 40 G C1' C 13 91.711 . . 1 . . . . 40 G C1' . 26842 1 793 . 1 1 40 40 G C2' C 13 75.605 . . 1 . . . . 40 G C2' . 26842 1 794 . 1 1 40 40 G C3' C 13 71.74 . . 1 . . . . 40 G C3' . 26842 1 795 . 1 1 40 40 G C4' C 13 81.299 . . 1 . . . . 40 G C4' . 26842 1 796 . 1 1 40 40 G C5 C 13 117.909 . . 1 . . . . 40 G C5 . 26842 1 797 . 1 1 40 40 G C5' C 13 64.182 . . 1 . . . . 40 G C5' . 26842 1 798 . 1 1 40 40 G C8 C 13 136.679 . . 1 . . . . 40 G C8 . 26842 1 799 . 1 1 40 40 G N1 N 15 146.977 . . 1 . . . . 40 G N1 . 26842 1 800 . 1 1 40 40 G N2 N 15 77.406 . . 1 . . . . 40 G N2 . 26842 1 801 . 1 1 40 40 G N7 N 15 235.705 . . 1 . . . . 40 G N7 . 26842 1 802 . 1 1 40 40 G N9 N 15 170.941 . . 1 . . . . 40 G N9 . 26842 1 803 . 1 1 41 41 G H1 H 1 12.332 . . 1 . . . . 41 G H1 . 26842 1 804 . 1 1 41 41 G H1' H 1 5.147 . . 1 . . . . 41 G H1' . 26842 1 805 . 1 1 41 41 G H2' H 1 4.555 . . 1 . . . . 41 G H2' . 26842 1 806 . 1 1 41 41 G H3' H 1 4.571 . . 1 . . . . 41 G H3' . 26842 1 807 . 1 1 41 41 G H4' H 1 4.129 . . 1 . . . . 41 G H4' . 26842 1 808 . 1 1 41 41 G H5' H 1 4.115 . . 1 . . . . 41 G H5' . 26842 1 809 . 1 1 41 41 G H5'' H 1 4.177 . . 1 . . . . 41 G H5'' . 26842 1 810 . 1 1 41 41 G H8 H 1 7.718 . . 1 . . . . 41 G H8 . 26842 1 811 . 1 1 41 41 G H21 H 1 8.605 . . 1 . . . . 41 G H21 . 26842 1 812 . 1 1 41 41 G H22 H 1 6.412 . . 1 . . . . 41 G H22 . 26842 1 813 . 1 1 41 41 G C1' C 13 83.321 . . 1 . . . . 41 G C1' . 26842 1 814 . 1 1 41 41 G C2' C 13 72.51 . . 1 . . . . 41 G C2' . 26842 1 815 . 1 1 41 41 G C3' C 13 76.388 . . 1 . . . . 41 G C3' . 26842 1 816 . 1 1 41 41 G C4' C 13 85.771 . . 1 . . . . 41 G C4' . 26842 1 817 . 1 1 41 41 G C5 C 13 117.317 . . 1 . . . . 41 G C5 . 26842 1 818 . 1 1 41 41 G C5' C 13 67.291 . . 1 . . . . 41 G C5' . 26842 1 819 . 1 1 41 41 G C8 C 13 136.611 . . 1 . . . . 41 G C8 . 26842 1 820 . 1 1 41 41 G N1 N 15 146.336 . . 1 . . . . 41 G N1 . 26842 1 821 . 1 1 41 41 G N2 N 15 83.378 . . 1 . . . . 41 G N2 . 26842 1 822 . 1 1 41 41 G N7 N 15 237.186 . . 1 . . . . 41 G N7 . 26842 1 823 . 1 1 41 41 G N9 N 15 161.426 . . 1 . . . . 41 G N9 . 26842 1 824 . 1 1 42 42 U H1' H 1 5.554 . . 1 . . . . 42 U H1' . 26842 1 825 . 1 1 42 42 U H2' H 1 4.122 . . 1 . . . . 42 U H2' . 26842 1 826 . 1 1 42 42 U H3 H 1 12.942 . . 1 . . . . 42 U H3 . 26842 1 827 . 1 1 42 42 U H3' H 1 4.577 . . 1 . . . . 42 U H3' . 26842 1 828 . 1 1 42 42 U H4' H 1 3.188 . . 1 . . . . 42 U H4' . 26842 1 829 . 1 1 42 42 U H5 H 1 5.195 . . 1 . . . . 42 U H5 . 26842 1 830 . 1 1 42 42 U H5' H 1 3.332 . . 1 . . . . 42 U H5' . 26842 1 831 . 1 1 42 42 U H5'' H 1 3.74 . . 1 . . . . 42 U H5'' . 26842 1 832 . 1 1 42 42 U H6 H 1 7.428 . . 1 . . . . 42 U H6 . 26842 1 833 . 1 1 42 42 U C1' C 13 86.949 . . 1 . . . . 42 U C1' . 26842 1 834 . 1 1 42 42 U C2 C 13 153.289 . . 1 . . . . 42 U C2 . 26842 1 835 . 1 1 42 42 U C2' C 13 74.206 . . 1 . . . . 42 U C2' . 26842 1 836 . 1 1 42 42 U C3' C 13 76.199 . . 1 . . . . 42 U C3' . 26842 1 837 . 1 1 42 42 U C4 C 13 168.878 . . 1 . . . . 42 U C4 . 26842 1 838 . 1 1 42 42 U C4' C 13 84.353 . . 1 . . . . 42 U C4' . 26842 1 839 . 1 1 42 42 U C5 C 13 105.449 . . 1 . . . . 42 U C5 . 26842 1 840 . 1 1 42 42 U C5' C 13 67.509 . . 1 . . . . 42 U C5' . 26842 1 841 . 1 1 42 42 U C6 C 13 143.957 . . 1 . . . . 42 U C6 . 26842 1 842 . 1 1 42 42 U N1 N 15 142.296 . . 1 . . . . 42 U N1 . 26842 1 843 . 1 1 42 42 U N3 N 15 160.874 . . 1 . . . . 42 U N3 . 26842 1 844 . 1 1 43 43 A H1' H 1 6.186 . . 1 . . . . 43 A H1' . 26842 1 845 . 1 1 43 43 A H2 H 1 8.237 . . 1 . . . . 43 A H2 . 26842 1 846 . 1 1 43 43 A H2' H 1 5.168 . . 1 . . . . 43 A H2' . 26842 1 847 . 1 1 43 43 A H3' H 1 4.997 . . 1 . . . . 43 A H3' . 26842 1 848 . 1 1 43 43 A H4' H 1 4.472 . . 1 . . . . 43 A H4' . 26842 1 849 . 1 1 43 43 A H5' H 1 4.332 . . 1 . . . . 43 A H5' . 26842 1 850 . 1 1 43 43 A H5'' H 1 4.125 . . 1 . . . . 43 A H5'' . 26842 1 851 . 1 1 43 43 A H8 H 1 8.371 . . 1 . . . . 43 A H8 . 26842 1 852 . 1 1 43 43 A C1' C 13 91.007 . . 1 . . . . 43 A C1' . 26842 1 853 . 1 1 43 43 A C2 C 13 155.206 . . 1 . . . . 43 A C2 . 26842 1 854 . 1 1 43 43 A C2' C 13 74.706 . . 1 . . . . 43 A C2' . 26842 1 855 . 1 1 43 43 A C3' C 13 74.627 . . 1 . . . . 43 A C3' . 26842 1 856 . 1 1 43 43 A C4 C 13 150.404 . . 1 . . . . 43 A C4 . 26842 1 857 . 1 1 43 43 A C4' C 13 83.307 . . 1 . . . . 43 A C4' . 26842 1 858 . 1 1 43 43 A C5 C 13 121.13 . . 1 . . . . 43 A C5 . 26842 1 859 . 1 1 43 43 A C5' C 13 66.465 . . 1 . . . . 43 A C5' . 26842 1 860 . 1 1 43 43 A C6 C 13 157.63 . . 1 . . . . 43 A C6 . 26842 1 861 . 1 1 43 43 A C8 C 13 141.388 . . 1 . . . . 43 A C8 . 26842 1 862 . 1 1 43 43 A N1 N 15 223.707 . . 1 . . . . 43 A N1 . 26842 1 863 . 1 1 43 43 A N3 N 15 217.538 . . 1 . . . . 43 A N3 . 26842 1 864 . 1 1 43 43 A N6 N 15 78.475 . . 1 . . . . 43 A N6 . 26842 1 865 . 1 1 43 43 A N7 N 15 234.084 . . 1 . . . . 43 A N7 . 26842 1 866 . 1 1 43 43 A N9 N 15 169.166 . . 1 . . . . 43 A N9 . 26842 1 867 . 1 1 44 44 C H1' H 1 5.722 . . 1 . . . . 44 C H1' . 26842 1 868 . 1 1 44 44 C H2' H 1 4.59 . . 1 . . . . 44 C H2' . 26842 1 869 . 1 1 44 44 C H3' H 1 4.648 . . 1 . . . . 44 C H3' . 26842 1 870 . 1 1 44 44 C H4' H 1 4.523 . . 1 . . . . 44 C H4' . 26842 1 871 . 1 1 44 44 C H5 H 1 5.71 . . 1 . . . . 44 C H5 . 26842 1 872 . 1 1 44 44 C H5' H 1 4.216 . . 1 . . . . 44 C H5' . 26842 1 873 . 1 1 44 44 C H5'' H 1 4.364 . . 1 . . . . 44 C H5'' . 26842 1 874 . 1 1 44 44 C H6 H 1 7.723 . . 1 . . . . 44 C H6 . 26842 1 875 . 1 1 44 44 C H41 H 1 8.203 . . 1 . . . . 44 C H41 . 26842 1 876 . 1 1 44 44 C H42 H 1 6.735 . . 1 . . . . 44 C H42 . 26842 1 877 . 1 1 44 44 C C1' C 13 90.246 . . 1 . . . . 44 C C1' . 26842 1 878 . 1 1 44 44 C C2' C 13 73.351 . . 1 . . . . 44 C C2' . 26842 1 879 . 1 1 44 44 C C3' C 13 74.84 . . 1 . . . . 44 C C3' . 26842 1 880 . 1 1 44 44 C C4' C 13 84.169 . . 1 . . . . 44 C C4' . 26842 1 881 . 1 1 44 44 C C5 C 13 99.379 . . 1 . . . . 44 C C5 . 26842 1 882 . 1 1 44 44 C C5' C 13 67.939 . . 1 . . . . 44 C C5' . 26842 1 883 . 1 1 44 44 C C6 C 13 142.719 . . 1 . . . . 44 C C6 . 26842 1 884 . 1 1 44 44 C N1 N 15 151.445 . . 1 . . . . 44 C N1 . 26842 1 885 . 1 1 44 44 C N3 N 15 196.782 . . 1 . . . . 44 C N3 . 26842 1 886 . 1 1 44 44 C N4 N 15 97.127 . . 1 . . . . 44 C N4 . 26842 1 887 . 1 1 45 45 G H1 H 1 12.693 . . 1 . . . . 45 G H1 . 26842 1 888 . 1 1 45 45 G H1' H 1 5.746 . . 1 . . . . 45 G H1' . 26842 1 889 . 1 1 45 45 G H2' H 1 4.506 . . 1 . . . . 45 G H2' . 26842 1 890 . 1 1 45 45 G H3' H 1 4.428 . . 1 . . . . 45 G H3' . 26842 1 891 . 1 1 45 45 G H4' H 1 4.57 . . 1 . . . . 45 G H4' . 26842 1 892 . 1 1 45 45 G H5' H 1 4.429 . . 1 . . . . 45 G H5' . 26842 1 893 . 1 1 45 45 G H5'' H 1 4.363 . . 1 . . . . 45 G H5'' . 26842 1 894 . 1 1 45 45 G H8 H 1 7.746 . . 1 . . . . 45 G H8 . 26842 1 895 . 1 1 45 45 G C1' C 13 93.076 . . 1 . . . . 45 G C1' . 26842 1 896 . 1 1 45 45 G C2' C 13 74.963 . . 1 . . . . 45 G C2' . 26842 1 897 . 1 1 45 45 G C3' C 13 73.789 . . 1 . . . . 45 G C3' . 26842 1 898 . 1 1 45 45 G C4' C 13 83.069 . . 1 . . . . 45 G C4' . 26842 1 899 . 1 1 45 45 G C5 C 13 118.842 . . 1 . . . . 45 G C5 . 26842 1 900 . 1 1 45 45 G C5' C 13 68.037 . . 1 . . . . 45 G C5' . 26842 1 901 . 1 1 45 45 G C8 C 13 137 . . 1 . . . . 45 G C8 . 26842 1 902 . 1 1 45 45 G N1 N 15 147.165 . . 1 . . . . 45 G N1 . 26842 1 903 . 1 1 45 45 G N2 N 15 74.701 . . 1 . . . . 45 G N2 . 26842 1 904 . 1 1 45 45 G N7 N 15 233.998 . . 1 . . . . 45 G N7 . 26842 1 905 . 1 1 45 45 G N9 N 15 168.063 . . 1 . . . . 45 G N9 . 26842 1 906 . 1 1 46 46 U H1' H 1 5.55 . . 1 . . . . 46 U H1' . 26842 1 907 . 1 1 46 46 U H2' H 1 4.486 . . 1 . . . . 46 U H2' . 26842 1 908 . 1 1 46 46 U H3 H 1 14.418 . . 1 . . . . 46 U H3 . 26842 1 909 . 1 1 46 46 U H3' H 1 4.469 . . 1 . . . . 46 U H3' . 26842 1 910 . 1 1 46 46 U H5 H 1 4.959 . . 1 . . . . 46 U H5 . 26842 1 911 . 1 1 46 46 U H6 H 1 7.827 . . 1 . . . . 46 U H6 . 26842 1 912 . 1 1 46 46 U C1' C 13 93.683 . . 1 . . . . 46 U C1' . 26842 1 913 . 1 1 46 46 U C2 C 13 152.711 . . 1 . . . . 46 U C2 . 26842 1 914 . 1 1 46 46 U C2' C 13 74.93 . . 1 . . . . 46 U C2' . 26842 1 915 . 1 1 46 46 U C3' C 13 71.96 . . 1 . . . . 46 U C3' . 26842 1 916 . 1 1 46 46 U C4 C 13 168.921 . . 1 . . . . 46 U C4 . 26842 1 917 . 1 1 46 46 U C5 C 13 102.228 . . 1 . . . . 46 U C5 . 26842 1 918 . 1 1 46 46 U C6 C 13 141.866 . . 1 . . . . 46 U C6 . 26842 1 919 . 1 1 46 46 U N1 N 15 146.749 . . 1 . . . . 46 U N1 . 26842 1 920 . 1 1 46 46 U N3 N 15 162.831 . . 1 . . . . 46 U N3 . 26842 1 921 . 1 1 47 47 C H1' H 1 5.551 . . 1 . . . . 47 C H1' . 26842 1 922 . 1 1 47 47 C H2' H 1 4.165 . . 1 . . . . 47 C H2' . 26842 1 923 . 1 1 47 47 C H3' H 1 4.434 . . 1 . . . . 47 C H3' . 26842 1 924 . 1 1 47 47 C H4' H 1 4.387 . . 1 . . . . 47 C H4' . 26842 1 925 . 1 1 47 47 C H5 H 1 5.603 . . 1 . . . . 47 C H5 . 26842 1 926 . 1 1 47 47 C H5' H 1 4.514 . . 1 . . . . 47 C H5' . 26842 1 927 . 1 1 47 47 C H5'' H 1 4.059 . . 1 . . . . 47 C H5'' . 26842 1 928 . 1 1 47 47 C H6 H 1 7.85 . . 1 . . . . 47 C H6 . 26842 1 929 . 1 1 47 47 C H41 H 1 8.365 . . 1 . . . . 47 C H41 . 26842 1 930 . 1 1 47 47 C H42 H 1 6.93 . . 1 . . . . 47 C H42 . 26842 1 931 . 1 1 47 47 C C1' C 13 94.369 . . 1 . . . . 47 C C1' . 26842 1 932 . 1 1 47 47 C C2' C 13 75.354 . . 1 . . . . 47 C C2' . 26842 1 933 . 1 1 47 47 C C3' C 13 72.101 . . 1 . . . . 47 C C3' . 26842 1 934 . 1 1 47 47 C C4' C 13 81.855 . . 1 . . . . 47 C C4' . 26842 1 935 . 1 1 47 47 C C5 C 13 97.429 . . 1 . . . . 47 C C5 . 26842 1 936 . 1 1 47 47 C C5' C 13 64.298 . . 1 . . . . 47 C C5' . 26842 1 937 . 1 1 47 47 C C6 C 13 141.678 . . 1 . . . . 47 C C6 . 26842 1 938 . 1 1 47 47 C N1 N 15 151.672 . . 1 . . . . 47 C N1 . 26842 1 939 . 1 1 47 47 C N3 N 15 198.095 . . 1 . . . . 47 C N3 . 26842 1 940 . 1 1 47 47 C N4 N 15 98.219 . . 1 . . . . 47 C N4 . 26842 1 941 . 1 1 48 48 C H1' H 1 6.035 . . 1 . . . . 48 C H1' . 26842 1 942 . 1 1 48 48 C H2' H 1 4.582 . . 1 . . . . 48 C H2' . 26842 1 943 . 1 1 48 48 C H3' H 1 4.926 . . 1 . . . . 48 C H3' . 26842 1 944 . 1 1 48 48 C H5 H 1 5.5 . . 1 . . . . 48 C H5 . 26842 1 945 . 1 1 48 48 C H5' H 1 4.511 . . 1 . . . . 48 C H5' . 26842 1 946 . 1 1 48 48 C H5'' H 1 4.082 . . 1 . . . . 48 C H5'' . 26842 1 947 . 1 1 48 48 C H6 H 1 7.457 . . 1 . . . . 48 C H6 . 26842 1 948 . 1 1 48 48 C H41 H 1 8.441 . . 1 . . . . 48 C H41 . 26842 1 949 . 1 1 48 48 C H42 H 1 7.034 . . 1 . . . . 48 C H42 . 26842 1 950 . 1 1 48 48 C C1' C 13 91.774 . . 1 . . . . 48 C C1' . 26842 1 951 . 1 1 48 48 C C3' C 13 77.709 . . 1 . . . . 48 C C3' . 26842 1 952 . 1 1 48 48 C C5 C 13 99.028 . . 1 . . . . 48 C C5 . 26842 1 953 . 1 1 48 48 C C5' C 13 65.493 . . 1 . . . . 48 C C5' . 26842 1 954 . 1 1 48 48 C C6 C 13 141.61 . . 1 . . . . 48 C C6 . 26842 1 955 . 1 1 48 48 C N1 N 15 149.954 . . 1 . . . . 48 C N1 . 26842 1 956 . 1 1 48 48 C N3 N 15 197.952 . . 1 . . . . 48 C N3 . 26842 1 957 . 1 1 48 48 C N4 N 15 98.773 . . 1 . . . . 48 C N4 . 26842 1 stop_ save_