data_27226 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27226 _Entry.Title ; hsa-miR-34a-mSIRT1_bulge ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-19 _Entry.Accession_date 2017-08-19 _Entry.Last_release_date 2017-08-21 _Entry.Original_release_date 2017-08-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Sequence specific resonance assignment of an RNA hairpin construct mimicking the central bulge region of the miR-34a mSIRT1 duplex (28-mer). ; _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 Lorenzo Baronti . . . . 27226 2 Emilie Steiner . . . . 27226 3 Judith Schlagnitweit . . . . 27226 4 Katja Petzold . . . . 27226 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27226 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Karolinska Institutet' . 27226 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27226 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 67 27226 '15N chemical shifts' 54 27226 '1H chemical shifts' 94 27226 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 . . 2020-07-03 2017-08-19 update BMRB 'update entry citation' 27226 1 . . 2020-05-21 2017-08-19 original author 'original release' 27226 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27225 'mature hsa-miR-34a-5p (22-mer)' 27226 BMRB 27229 'hsa-miR-34a-mSIRT1 bulge U5C9mut' 27226 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27226 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32461691 _Citation.DOI 10.1038/s41586-020-2336-3 _Citation.Full_citation . _Citation.Title ; Base-pair Conformational Switch Modulates miR-34a Targeting of Sirt1 mRNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 583 _Citation.Journal_issue 7814 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4687 _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 139 _Citation.Page_last 144 _Citation.Year 2020 _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 Lorenzo Baronti . . . . 27226 1 2 Ileana Guzzetti . . . . 27226 1 3 Parisa Ebrahimi . . . . 27226 1 4 Sarah 'Friebe Sandoz' . . . . 27226 1 5 Emilie Steiner . . . . 27226 1 6 Judith Schlagnitweit . . . . 27226 1 7 Bastian Fromm . . . . 27226 1 8 Luis Silva . . . . 27226 1 9 Carolina Fontana . . . . 27226 1 10 Alan Chen A. . . . 27226 1 11 Katja Petzold . . . . 27226 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RNA 27226 1 SIRT1 27226 1 'Sirtuin 1' 27226 1 miR-34a 27226 1 microRNA 27226 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27226 _Assembly.ID 1 _Assembly.Name hsa-miR-34a-mSIRT1_bulge _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8458.4 _Assembly.Enzyme_commission_number . _Assembly.Details ; Synthetic hairpin construct mimicking the central bulge region of the hsa-miR-34a-5p mSIRT1 duplex. Details about the design of this molecular assembly can be found in the associated publication. ; _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 hsa-miR-34a-mSIRT1_bulge 1 $hsa-miR-34a-mSIRT1_bulge A . yes native no no . . . 27226 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hsa-miR-34a-mSIRT1_bulge _Entity.Sf_category entity _Entity.Sf_framecode hsa-miR-34a-mSIRT1_bulge _Entity.Entry_ID 27226 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hsa-miR-34a-mSIRT1_bulge _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 ; GGCACCAUUACUGCUUCGGC AGUGUGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Nts 14-19 constitute a synthetic cUUCGg motif. Nts 1-3 and 26-28 synthetic closing stem. Nts 20-25 hsa-miR-34a-5p and nts 4-13 mSIRT1 side of the hetero-duplex, respectively. ; _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 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Central bulge region of the hsa-miR-34a-5p mSIRT1 duplex.' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8458.4 _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 . 27226 1 2 . G . 27226 1 3 . C . 27226 1 4 . A . 27226 1 5 . C . 27226 1 6 . C . 27226 1 7 . A . 27226 1 8 . U . 27226 1 9 . U . 27226 1 10 . A . 27226 1 11 . C . 27226 1 12 . U . 27226 1 13 . G . 27226 1 14 . C . 27226 1 15 . U . 27226 1 16 . U . 27226 1 17 . C . 27226 1 18 . G . 27226 1 19 . G . 27226 1 20 . C . 27226 1 21 . A . 27226 1 22 . G . 27226 1 23 . U . 27226 1 24 . G . 27226 1 25 . U . 27226 1 26 . G . 27226 1 27 . C . 27226 1 28 . C . 27226 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 27226 1 . G 2 2 27226 1 . C 3 3 27226 1 . A 4 4 27226 1 . C 5 5 27226 1 . C 6 6 27226 1 . A 7 7 27226 1 . U 8 8 27226 1 . U 9 9 27226 1 . A 10 10 27226 1 . C 11 11 27226 1 . U 12 12 27226 1 . G 13 13 27226 1 . C 14 14 27226 1 . U 15 15 27226 1 . U 16 16 27226 1 . C 17 17 27226 1 . G 18 18 27226 1 . G 19 19 27226 1 . C 20 20 27226 1 . A 21 21 27226 1 . G 22 22 27226 1 . U 23 23 27226 1 . G 24 24 27226 1 . U 25 25 27226 1 . G 26 26 27226 1 . C 27 27 27226 1 . C 28 28 27226 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 27226 _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 $hsa-miR-34a-mSIRT1_bulge . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27226 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 27226 _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 $hsa-miR-34a-mSIRT1_bulge . 'enzymatic semisynthesis' 'T7 in vitro transcritpion' . . . . . . . . 'DNA template' . . 'DNA template' . . 'T7 in-vitro transcription.' 27226 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27226 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hsa-miR-34a-mSIRT1_bulge '[U-100% 13C; U-100% 15N]' . . 1 $hsa-miR-34a-mSIRT1_bulge . . 750 500 1000 uM . . . . 27226 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27226 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 27226 1 4 'sodium phosphate' 'natural abundance' . . . . . . 15 . . mM . . . . 27226 1 5 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 27226 1 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 27226 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27226 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 6.5 . pH 27226 1 pressure 1 . atm 27226 1 temperature 295.4 . K 27226 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27226 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 'v 3.2' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27226 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27226 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27226 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27226 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27226 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27226 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with a QCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _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 27226 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 spectrometer_1 Bruker 'Avance III HD' . 600 'equipped with a QCI cryoprobe' . . 27226 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 27226 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27226 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27226 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27226 1 4 '2D HNN COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27226 1 5 '3D HCN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27226 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 27226 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details '13C and 15N were referenced using indirect referencing for multidimensional heteronuclear according to Wishart et al., 1995' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27226 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27226 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27226 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 27226 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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 '2D 1H-13C HSQC' . . . 27226 1 2 '2D 1H-15N HSQC' . . . 27226 1 3 '2D 1H-1H NOESY' . . . 27226 1 4 '2D HNN COSY' . . . 27226 1 5 '3D HCN' . . . 27226 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 $SPARKY . . 27226 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 5.787 0.000 . 1 . . . . . 1 G H1' . 27226 1 2 . 1 . 1 1 1 G H8 H 1 8.109 0.000 . 1 . . . . . 1 G H8 . 27226 1 3 . 1 . 1 1 1 G C1' C 13 90.870 0.000 . 1 . . . . . 1 G C1' . 27226 1 4 . 1 . 1 1 1 G C8 C 13 139.042 0.000 . 1 . . . . . 1 G C8 . 27226 1 5 . 1 . 1 1 1 G N9 N 15 167.996 0.000 . 1 . . . . . 1 G N9 . 27226 1 6 . 1 . 1 2 2 G H1 H 1 13.311 0.000 . 1 . . . . . 2 G H1 . 27226 1 7 . 1 . 1 2 2 G H1' H 1 5.880 0.000 . 1 . . . . . 2 G H1' . 27226 1 8 . 1 . 1 2 2 G H8 H 1 7.601 0.000 . 1 . . . . . 2 G H8 . 27226 1 9 . 1 . 1 2 2 G C1' C 13 92.989 0.000 . 1 . . . . . 2 G C1' . 27226 1 10 . 1 . 1 2 2 G C8 C 13 136.765 0.000 . 1 . . . . . 2 G C8 . 27226 1 11 . 1 . 1 2 2 G N1 N 15 148.436 0.000 . 1 . . . . . 2 G N1 . 27226 1 12 . 1 . 1 2 2 G N9 N 15 169.305 0.004 . 1 . . . . . 2 G N9 . 27226 1 13 . 1 . 1 3 3 C H1' H 1 5.485 0.000 . 1 . . . . . 3 C H1' . 27226 1 14 . 1 . 1 3 3 C H6 H 1 7.676 0.000 . 1 . . . . . 3 C H6 . 27226 1 15 . 1 . 1 3 3 C H41 H 1 8.524 0.000 . 1 . . . . . 3 C H41 . 27226 1 16 . 1 . 1 3 3 C H42 H 1 6.848 0.000 . 1 . . . . . 3 C H42 . 27226 1 17 . 1 . 1 3 3 C C1' C 13 93.821 0.000 . 1 . . . . . 3 C C1' . 27226 1 18 . 1 . 1 3 3 C C6 C 13 140.697 0.000 . 1 . . . . . 3 C C6 . 27226 1 19 . 1 . 1 3 3 C N1 N 15 150.620 0.000 . 1 . . . . . 3 C N1 . 27226 1 20 . 1 . 1 3 3 C N3 N 15 197.037 0.000 . 1 . . . . . 3 C N3 . 27226 1 21 . 1 . 1 3 3 C N4 N 15 98.442 0.001 . 1 . . . . . 3 C N4 . 27226 1 22 . 1 . 1 4 4 A H1' H 1 5.922 0.000 . 1 . . . . . 4 A H1' . 27226 1 23 . 1 . 1 4 4 A H2 H 1 7.405 0.000 . 1 . . . . . 4 A H2 . 27226 1 24 . 1 . 1 4 4 A H8 H 1 8.006 0.000 . 1 . . . . . 4 A H8 . 27226 1 25 . 1 . 1 4 4 A C2 C 13 153.317 0.000 . 1 . . . . . 4 A C2 . 27226 1 26 . 1 . 1 4 4 A C8 C 13 139.328 0.000 . 1 . . . . . 4 A C8 . 27226 1 27 . 1 . 1 4 4 A N1 N 15 220.504 0.000 . 1 . . . . . 4 A N1 . 27226 1 28 . 1 . 1 4 4 A N9 N 15 170.857 0.004 . 1 . . . . . 4 A N9 . 27226 1 29 . 1 . 1 5 5 C H1' H 1 5.367 0.000 . 1 . . . . . 5 C H1' . 27226 1 30 . 1 . 1 5 5 C H5 H 1 5.160 0.000 . 1 . . . . . 5 C H5 . 27226 1 31 . 1 . 1 5 5 C H6 H 1 7.270 0.000 . 1 . . . . . 5 C H6 . 27226 1 32 . 1 . 1 5 5 C H41 H 1 8.168 0.000 . 1 . . . . . 5 C H41 . 27226 1 33 . 1 . 1 5 5 C H42 H 1 6.904 0.000 . 1 . . . . . 5 C H42 . 27226 1 34 . 1 . 1 5 5 C C1' C 13 93.329 0.000 . 1 . . . . . 5 C C1' . 27226 1 35 . 1 . 1 5 5 C C5 C 13 97.429 0.000 . 1 . . . . . 5 C C5 . 27226 1 36 . 1 . 1 5 5 C C6 C 13 140.431 0.000 . 1 . . . . . 5 C C6 . 27226 1 37 . 1 . 1 5 5 C N1 N 15 150.867 0.000 . 1 . . . . . 5 C N1 . 27226 1 38 . 1 . 1 5 5 C N3 N 15 197.183 0.000 . 1 . . . . . 5 C N3 . 27226 1 39 . 1 . 1 5 5 C N4 N 15 98.034 0.000 . 1 . . . . . 5 C N4 . 27226 1 40 . 1 . 1 6 6 C H1' H 1 5.537 0.000 . 1 . . . . . 6 C H1' . 27226 1 41 . 1 . 1 6 6 C H5 H 1 5.484 0.000 . 1 . . . . . 6 C H5 . 27226 1 42 . 1 . 1 6 6 C H6 H 1 7.540 0.001 . 1 . . . . . 6 C H6 . 27226 1 43 . 1 . 1 6 6 C C1' C 13 93.119 0.000 . 1 . . . . . 6 C C1' . 27226 1 44 . 1 . 1 6 6 C C5 C 13 97.866 0.000 . 1 . . . . . 6 C C5 . 27226 1 45 . 1 . 1 6 6 C C6 C 13 141.894 0.000 . 1 . . . . . 6 C C6 . 27226 1 46 . 1 . 1 6 6 C N1 N 15 151.924 0.003 . 1 . . . . . 6 C N1 . 27226 1 47 . 1 . 1 7 7 A H1' H 1 5.827 0.000 . 1 . . . . . 7 A H1' . 27226 1 48 . 1 . 1 7 7 A H2 H 1 7.886 0.000 . 1 . . . . . 7 A H2 . 27226 1 49 . 1 . 1 7 7 A H8 H 1 8.140 0.001 . 1 . . . . . 7 A H8 . 27226 1 50 . 1 . 1 7 7 A C1' C 13 90.352 0.000 . 1 . . . . . 7 A C1' . 27226 1 51 . 1 . 1 7 7 A C2 C 13 154.977 0.000 . 1 . . . . . 7 A C2 . 27226 1 52 . 1 . 1 7 7 A C8 C 13 141.338 0.000 . 1 . . . . . 7 A C8 . 27226 1 53 . 1 . 1 7 7 A N9 N 15 169.122 0.001 . 1 . . . . . 7 A N9 . 27226 1 54 . 1 . 1 8 8 U H1' H 1 5.948 0.000 . 1 . . . . . 8 U H1' . 27226 1 55 . 1 . 1 8 8 U H5 H 1 5.746 0.000 . 1 . . . . . 8 U H5 . 27226 1 56 . 1 . 1 8 8 U H6 H 1 7.756 0.000 . 1 . . . . . 8 U H6 . 27226 1 57 . 1 . 1 8 8 U C1' C 13 90.230 0.000 . 1 . . . . . 8 U C1' . 27226 1 58 . 1 . 1 8 8 U C5 C 13 105.410 0.000 . 1 . . . . . 8 U C5 . 27226 1 59 . 1 . 1 8 8 U C6 C 13 143.762 0.000 . 1 . . . . . 8 U C6 . 27226 1 60 . 1 . 1 8 8 U N1 N 15 143.642 0.001 . 1 . . . . . 8 U N1 . 27226 1 61 . 1 . 1 9 9 U H1' H 1 5.521 0.000 . 1 . . . . . 9 U H1' . 27226 1 62 . 1 . 1 9 9 U H5 H 1 5.517 0.000 . 1 . . . . . 9 U H5 . 27226 1 63 . 1 . 1 9 9 U H6 H 1 7.373 0.001 . 1 . . . . . 9 U H6 . 27226 1 64 . 1 . 1 9 9 U C1' C 13 89.977 0.000 . 1 . . . . . 9 U C1' . 27226 1 65 . 1 . 1 9 9 U C5 C 13 104.997 0.000 . 1 . . . . . 9 U C5 . 27226 1 66 . 1 . 1 9 9 U C6 C 13 142.718 0.000 . 1 . . . . . 9 U C6 . 27226 1 67 . 1 . 1 9 9 U N1 N 15 143.202 0.000 . 1 . . . . . 9 U N1 . 27226 1 68 . 1 . 1 10 10 A H2 H 1 7.986 0.000 . 1 . . . . . 10 A H2 . 27226 1 69 . 1 . 1 10 10 A H8 H 1 8.428 0.000 . 1 . . . . . 10 A H8 . 27226 1 70 . 1 . 1 10 10 A C2 C 13 154.395 0.000 . 1 . . . . . 10 A C2 . 27226 1 71 . 1 . 1 10 10 A C8 C 13 140.984 0.000 . 1 . . . . . 10 A C8 . 27226 1 72 . 1 . 1 10 10 A N9 N 15 170.372 0.000 . 1 . . . . . 10 A N9 . 27226 1 73 . 1 . 1 11 11 C H1' H 1 5.522 0.000 . 1 . . . . . 11 C H1' . 27226 1 74 . 1 . 1 11 11 C H5 H 1 5.438 0.062 . 1 . . . . . 11 C H5 . 27226 1 75 . 1 . 1 11 11 C H6 H 1 7.640 0.001 . 1 . . . . . 11 C H6 . 27226 1 76 . 1 . 1 11 11 C H41 H 1 8.391 0.000 . 1 . . . . . 11 C H41 . 27226 1 77 . 1 . 1 11 11 C H42 H 1 6.985 0.000 . 1 . . . . . 11 C H42 . 27226 1 78 . 1 . 1 11 11 C C1' C 13 93.944 0.000 . 1 . . . . . 11 C C1' . 27226 1 79 . 1 . 1 11 11 C C5 C 13 97.989 0.380 . 1 . . . . . 11 C C5 . 27226 1 80 . 1 . 1 11 11 C C6 C 13 141.267 0.000 . 1 . . . . . 11 C C6 . 27226 1 81 . 1 . 1 11 11 C N1 N 15 151.453 0.000 . 1 . . . . . 11 C N1 . 27226 1 82 . 1 . 1 11 11 C N3 N 15 197.951 0.000 . 1 . . . . . 11 C N3 . 27226 1 83 . 1 . 1 11 11 C N4 N 15 98.077 0.009 . 1 . . . . . 11 C N4 . 27226 1 84 . 1 . 1 12 12 U H1' H 1 5.574 0.000 . 1 . . . . . 12 U H1' . 27226 1 85 . 1 . 1 12 12 U H3 H 1 13.489 0.035 . 1 . . . . . 12 U H3 . 27226 1 86 . 1 . 1 12 12 U H5 H 1 5.403 0.000 . 1 . . . . . 12 U H5 . 27226 1 87 . 1 . 1 12 12 U H6 H 1 7.885 0.000 . 1 . . . . . 12 U H6 . 27226 1 88 . 1 . 1 12 12 U C1' C 13 93.495 0.000 . 1 . . . . . 12 U C1' . 27226 1 89 . 1 . 1 12 12 U C5 C 13 93.740 0.000 . 1 . . . . . 12 U C5 . 27226 1 90 . 1 . 1 12 12 U C6 C 13 141.716 0.000 . 1 . . . . . 12 U C6 . 27226 1 91 . 1 . 1 12 12 U N1 N 15 145.857 0.000 . 1 . . . . . 12 U N1 . 27226 1 92 . 1 . 1 12 12 U N3 N 15 162.159 0.000 . 1 . . . . . 12 U N3 . 27226 1 93 . 1 . 1 13 13 G H1 H 1 12.536 0.000 . 1 . . . . . 13 G H1 . 27226 1 94 . 1 . 1 13 13 G H1' H 1 5.822 0.000 . 1 . . . . . 13 G H1' . 27226 1 95 . 1 . 1 13 13 G H8 H 1 7.768 0.000 . 1 . . . . . 13 G H8 . 27226 1 96 . 1 . 1 13 13 G C1' C 13 92.491 0.000 . 1 . . . . . 13 G C1' . 27226 1 97 . 1 . 1 13 13 G C8 C 13 136.327 0.000 . 1 . . . . . 13 G C8 . 27226 1 98 . 1 . 1 13 13 G N1 N 15 147.520 0.000 . 1 . . . . . 13 G N1 . 27226 1 99 . 1 . 1 13 13 G N9 N 15 169.707 0.000 . 1 . . . . . 13 G N9 . 27226 1 100 . 1 . 1 14 14 C H1' H 1 5.428 0.000 . 1 . . . . . 14 C H1' . 27226 1 101 . 1 . 1 14 14 C H5 H 1 5.184 0.000 . 1 . . . . . 14 C H5 . 27226 1 102 . 1 . 1 14 14 C H6 H 1 7.436 0.000 . 1 . . . . . 14 C H6 . 27226 1 103 . 1 . 1 14 14 C H41 H 1 8.486 0.000 . 1 . . . . . 14 C H41 . 27226 1 104 . 1 . 1 14 14 C H42 H 1 6.874 0.000 . 1 . . . . . 14 C H42 . 27226 1 105 . 1 . 1 14 14 C C1' C 13 93.794 0.000 . 1 . . . . . 14 C C1' . 27226 1 106 . 1 . 1 14 14 C C5 C 13 97.304 0.000 . 1 . . . . . 14 C C5 . 27226 1 107 . 1 . 1 14 14 C C6 C 13 140.394 0.000 . 1 . . . . . 14 C C6 . 27226 1 108 . 1 . 1 14 14 C N1 N 15 151.171 0.002 . 1 . . . . . 14 C N1 . 27226 1 109 . 1 . 1 14 14 C N3 N 15 195.951 0.000 . 1 . . . . . 14 C N3 . 27226 1 110 . 1 . 1 14 14 C N4 N 15 99.576 0.000 . 1 . . . . . 14 C N4 . 27226 1 111 . 1 . 1 15 15 U H1' H 1 5.618 0.000 . 1 . . . . . 15 U H1' . 27226 1 112 . 1 . 1 15 15 U H3 H 1 11.660 0.000 . 1 . . . . . 15 U H3 . 27226 1 113 . 1 . 1 15 15 U H5 H 1 5.701 0.000 . 1 . . . . . 15 U H5 . 27226 1 114 . 1 . 1 15 15 U H6 H 1 7.724 0.000 . 1 . . . . . 15 U H6 . 27226 1 115 . 1 . 1 15 15 U C1' C 13 94.505 0.000 . 1 . . . . . 15 U C1' . 27226 1 116 . 1 . 1 15 15 U C5 C 13 105.112 0.000 . 1 . . . . . 15 U C5 . 27226 1 117 . 1 . 1 15 15 U C6 C 13 140.595 0.000 . 1 . . . . . 15 U C6 . 27226 1 118 . 1 . 1 15 15 U N1 N 15 146.895 0.001 . 1 . . . . . 15 U N1 . 27226 1 119 . 1 . 1 15 15 U N3 N 15 159.769 0.000 . 1 . . . . . 15 U N3 . 27226 1 120 . 1 . 1 16 16 U H1' H 1 6.072 0.000 . 1 . . . . . 16 U H1' . 27226 1 121 . 1 . 1 16 16 U H5 H 1 5.833 0.000 . 1 . . . . . 16 U H5 . 27226 1 122 . 1 . 1 16 16 U H6 H 1 7.993 0.000 . 1 . . . . . 16 U H6 . 27226 1 123 . 1 . 1 16 16 U C1' C 13 89.202 0.000 . 1 . . . . . 16 U C1' . 27226 1 124 . 1 . 1 16 16 U C5 C 13 105.503 0.000 . 1 . . . . . 16 U C5 . 27226 1 125 . 1 . 1 16 16 U C6 C 13 144.671 0.000 . 1 . . . . . 16 U C6 . 27226 1 126 . 1 . 1 16 16 U N1 N 15 143.894 0.001 . 1 . . . . . 16 U N1 . 27226 1 127 . 1 . 1 17 17 C H1' H 1 5.929 0.000 . 1 . . . . . 17 C H1' . 27226 1 128 . 1 . 1 17 17 C H5 H 1 6.099 0.000 . 1 . . . . . 17 C H5 . 27226 1 129 . 1 . 1 17 17 C H6 H 1 7.661 0.003 . 1 . . . . . 17 C H6 . 27226 1 130 . 1 . 1 17 17 C H41 H 1 7.114 0.000 . 1 . . . . . 17 C H41 . 27226 1 131 . 1 . 1 17 17 C H42 H 1 6.262 0.000 . 1 . . . . . 17 C H42 . 27226 1 132 . 1 . 1 17 17 C C1' C 13 89.070 0.000 . 1 . . . . . 17 C C1' . 27226 1 133 . 1 . 1 17 17 C C5 C 13 98.641 0.000 . 1 . . . . . 17 C C5 . 27226 1 134 . 1 . 1 17 17 C C6 C 13 142.786 0.000 . 1 . . . . . 17 C C6 . 27226 1 135 . 1 . 1 17 17 C N1 N 15 150.630 0.002 . 1 . . . . . 17 C N1 . 27226 1 136 . 1 . 1 17 17 C N4 N 15 93.727 0.008 . 1 . . . . . 17 C N4 . 27226 1 137 . 1 . 1 18 18 G H1 H 1 9.852 0.000 . 1 . . . . . 18 G H1 . 27226 1 138 . 1 . 1 18 18 G H1' H 1 5.935 0.000 . 1 . . . . . 18 G H1' . 27226 1 139 . 1 . 1 18 18 G H8 H 1 7.835 0.000 . 1 . . . . . 18 G H8 . 27226 1 140 . 1 . 1 18 18 G C1' C 13 94.548 0.000 . 1 . . . . . 18 G C1' . 27226 1 141 . 1 . 1 18 18 G C8 C 13 142.907 0.000 . 1 . . . . . 18 G C8 . 27226 1 142 . 1 . 1 18 18 G N1 N 15 143.312 0.000 . 1 . . . . . 18 G N1 . 27226 1 143 . 1 . 1 18 18 G N9 N 15 171.681 0.001 . 1 . . . . . 18 G N9 . 27226 1 144 . 1 . 1 19 19 G H1 H 1 13.343 0.001 . 1 . . . . . 19 G H1 . 27226 1 145 . 1 . 1 19 19 G H1' H 1 4.335 0.000 . 1 . . . . . 19 G H1' . 27226 1 146 . 1 . 1 19 19 G H8 H 1 8.268 0.000 . 1 . . . . . 19 G H8 . 27226 1 147 . 1 . 1 19 19 G C1' C 13 90.498 0.000 . 1 . . . . . 19 G C1' . 27226 1 148 . 1 . 1 19 19 G C8 C 13 138.828 0.000 . 1 . . . . . 19 G C8 . 27226 1 149 . 1 . 1 19 19 G N1 N 15 148.270 0.000 . 1 . . . . . 19 G N1 . 27226 1 150 . 1 . 1 19 19 G N9 N 15 170.322 0.000 . 1 . . . . . 19 G N9 . 27226 1 151 . 1 . 1 20 20 C H1' H 1 5.470 0.000 . 1 . . . . . 20 C H1' . 27226 1 152 . 1 . 1 20 20 C H41 H 1 8.583 0.000 . 1 . . . . . 20 C H41 . 27226 1 153 . 1 . 1 20 20 C H42 H 1 6.824 0.000 . 1 . . . . . 20 C H42 . 27226 1 154 . 1 . 1 20 20 C C1' C 13 93.904 0.000 . 1 . . . . . 20 C C1' . 27226 1 155 . 1 . 1 20 20 C N1 N 15 151.097 0.000 . 1 . . . . . 20 C N1 . 27226 1 156 . 1 . 1 20 20 C N3 N 15 197.147 0.000 . 1 . . . . . 20 C N3 . 27226 1 157 . 1 . 1 20 20 C N4 N 15 97.650 0.005 . 1 . . . . . 20 C N4 . 27226 1 158 . 1 . 1 21 21 A H1' H 1 5.940 0.000 . 1 . . . . . 21 A H1' . 27226 1 159 . 1 . 1 21 21 A H2 H 1 7.080 0.000 . 1 . . . . . 21 A H2 . 27226 1 160 . 1 . 1 21 21 A H8 H 1 7.982 0.000 . 1 . . . . . 21 A H8 . 27226 1 161 . 1 . 1 21 21 A C1' C 13 93.021 0.000 . 1 . . . . . 21 A C1' . 27226 1 162 . 1 . 1 21 21 A C2 C 13 152.461 0.000 . 1 . . . . . 21 A C2 . 27226 1 163 . 1 . 1 21 21 A C8 C 13 139.449 0.000 . 1 . . . . . 21 A C8 . 27226 1 164 . 1 . 1 21 21 A N1 N 15 220.462 0.000 . 1 . . . . . 21 A N1 . 27226 1 165 . 1 . 1 21 21 A N9 N 15 170.532 0.001 . 1 . . . . . 21 A N9 . 27226 1 166 . 1 . 1 22 22 G H1 H 1 13.492 0.000 . 1 . . . . . 22 G H1 . 27226 1 167 . 1 . 1 22 22 G H1' H 1 5.590 0.000 . 1 . . . . . 22 G H1' . 27226 1 168 . 1 . 1 22 22 G H8 H 1 7.206 0.001 . 1 . . . . . 22 G H8 . 27226 1 169 . 1 . 1 22 22 G C1' C 13 92.901 0.000 . 1 . . . . . 22 G C1' . 27226 1 170 . 1 . 1 22 22 G C8 C 13 136.008 0.000 . 1 . . . . . 22 G C8 . 27226 1 171 . 1 . 1 22 22 G N1 N 15 148.209 0.000 . 1 . . . . . 22 G N1 . 27226 1 172 . 1 . 1 22 22 G N9 N 15 168.981 0.000 . 1 . . . . . 22 G N9 . 27226 1 173 . 1 . 1 23 23 U H1' H 1 5.880 0.000 . 1 . . . . . 23 U H1' . 27226 1 174 . 1 . 1 23 23 U H6 H 1 7.570 0.000 . 1 . . . . . 23 U H6 . 27226 1 175 . 1 . 1 23 23 U C1' C 13 92.135 0.000 . 1 . . . . . 23 U C1' . 27226 1 176 . 1 . 1 23 23 U C6 C 13 141.963 0.000 . 1 . . . . . 23 U C6 . 27226 1 177 . 1 . 1 23 23 U N1 N 15 145.592 0.002 . 1 . . . . . 23 U N1 . 27226 1 178 . 1 . 1 24 24 G H1 H 1 12.948 0.003 . 1 . . . . . 24 G H1 . 27226 1 179 . 1 . 1 24 24 G H1' H 1 5.748 0.000 . 1 . . . . . 24 G H1' . 27226 1 180 . 1 . 1 24 24 G H8 H 1 7.935 0.000 . 1 . . . . . 24 G H8 . 27226 1 181 . 1 . 1 24 24 G C1' C 13 92.663 0.000 . 1 . . . . . 24 G C1' . 27226 1 182 . 1 . 1 24 24 G C8 C 13 138.397 0.000 . 1 . . . . . 24 G C8 . 27226 1 183 . 1 . 1 24 24 G N1 N 15 148.122 0.000 . 1 . . . . . 24 G N1 . 27226 1 184 . 1 . 1 24 24 G N9 N 15 168.938 0.003 . 1 . . . . . 24 G N9 . 27226 1 185 . 1 . 1 25 25 U H1' H 1 5.588 0.000 . 1 . . . . . 25 U H1' . 27226 1 186 . 1 . 1 25 25 U H3 H 1 13.562 0.038 . 1 . . . . . 25 U H3 . 27226 1 187 . 1 . 1 25 25 U H6 H 1 7.816 0.001 . 1 . . . . . 25 U H6 . 27226 1 188 . 1 . 1 25 25 U C1' C 13 93.545 0.000 . 1 . . . . . 25 U C1' . 27226 1 189 . 1 . 1 25 25 U C6 C 13 141.872 0.000 . 1 . . . . . 25 U C6 . 27226 1 190 . 1 . 1 25 25 U N1 N 15 146.310 0.002 . 1 . . . . . 25 U N1 . 27226 1 191 . 1 . 1 25 25 U N3 N 15 162.222 0.000 . 1 . . . . . 25 U N3 . 27226 1 192 . 1 . 1 26 26 G H1 H 1 12.594 0.007 . 1 . . . . . 26 G H1 . 27226 1 193 . 1 . 1 26 26 G H1' H 1 5.805 0.000 . 1 . . . . . 26 G H1' . 27226 1 194 . 1 . 1 26 26 G H8 H 1 7.729 0.000 . 1 . . . . . 26 G H8 . 27226 1 195 . 1 . 1 26 26 G C1' C 13 92.770 0.000 . 1 . . . . . 26 G C1' . 27226 1 196 . 1 . 1 26 26 G C8 C 13 136.198 0.000 . 1 . . . . . 26 G C8 . 27226 1 197 . 1 . 1 26 26 G N1 N 15 147.627 0.000 . 1 . . . . . 26 G N1 . 27226 1 198 . 1 . 1 26 26 G N9 N 15 169.607 0.005 . 1 . . . . . 26 G N9 . 27226 1 199 . 1 . 1 27 27 C H1' H 1 5.449 0.000 . 1 . . . . . 27 C H1' . 27226 1 200 . 1 . 1 27 27 C H5 H 1 5.231 0.000 . 1 . . . . . 27 C H5 . 27226 1 201 . 1 . 1 27 27 C H41 H 1 8.540 0.000 . 1 . . . . . 27 C H41 . 27226 1 202 . 1 . 1 27 27 C H42 H 1 6.868 0.000 . 1 . . . . . 27 C H42 . 27226 1 203 . 1 . 1 27 27 C C1' C 13 94.067 0.000 . 1 . . . . . 27 C C1' . 27226 1 204 . 1 . 1 27 27 C C5 C 13 97.222 0.000 . 1 . . . . . 27 C C5 . 27226 1 205 . 1 . 1 27 27 C N1 N 15 151.228 0.000 . 1 . . . . . 27 C N1 . 27226 1 206 . 1 . 1 27 27 C N3 N 15 198.027 0.000 . 1 . . . . . 27 C N3 . 27226 1 207 . 1 . 1 27 27 C N4 N 15 99.428 0.001 . 1 . . . . . 27 C N4 . 27226 1 208 . 1 . 1 28 28 C H1' H 1 5.724 0.000 . 1 . . . . . 28 C H1' . 27226 1 209 . 1 . 1 28 28 C H6 H 1 7.631 0.000 . 1 . . . . . 28 C H6 . 27226 1 210 . 1 . 1 28 28 C H41 H 1 8.369 0.000 . 1 . . . . . 28 C H41 . 27226 1 211 . 1 . 1 28 28 C H42 H 1 6.969 0.000 . 1 . . . . . 28 C H42 . 27226 1 212 . 1 . 1 28 28 C C1' C 13 92.938 0.000 . 1 . . . . . 28 C C1' . 27226 1 213 . 1 . 1 28 28 C C6 C 13 141.665 0.000 . 1 . . . . . 28 C C6 . 27226 1 214 . 1 . 1 28 28 C N1 N 15 152.527 0.001 . 1 . . . . . 28 C N1 . 27226 1 215 . 1 . 1 28 28 C N4 N 15 97.559 0.005 . 1 . . . . . 28 C N4 . 27226 1 stop_ save_