data_28090 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28090 _Entry.Title ; 1H, 13C, and 15N chemical shifts for T4 Gene 60 mRNA 5' Stem-Loop ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-29 _Entry.Accession_date 2020-02-29 _Entry.Last_release_date 2020-03-02 _Entry.Original_release_date 2020-03-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 . _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 Mark Capece . C. . . 28090 2 Joseph Puglisi . D. . . 28090 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28090 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 73 28090 '15N chemical shifts' 44 28090 '1H chemical shifts' 135 28090 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 1 . . 2021-07-16 . original BMRB . 28090 stop_ save_ ############### # Citations # ############### save_citation01 _Citation.Sf_category citations _Citation.Sf_framecode citation01 _Citation.Entry_ID 28090 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32454154 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Polysomes bypass a 50 nucleotide coding gap less efficiently than monosomes due to attenuation of an unstable 5' mRNA stem loop stimulator and enhanced drop-off ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 432 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 4369 _Citation.Page_last 4387 _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 Sinead O'Loughlin S. . . . 28090 1 2 Mark Capece M. C. . . 28090 1 3 Mariia Klimova M. . . . 28090 1 4 Norma Wills N. M. . . 28090 1 5 Arthur Coakley A. . . . 28090 1 6 Ekaterina Samatova E. . . . 28090 1 7 Patrick O'Connor . . . . 28090 1 8 Gary Loughran G. . . . 28090 1 9 Jonathan Weissman J. S. . . 28090 1 10 Pavel Baranov P. V. . . 28090 1 11 Marina Rodnina M. V. . . 28090 1 12 Joseph Puglisi J. D. . . 28090 1 13 John Atkins J. F. . . 28090 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28090 _Assembly.ID 1 _Assembly.Name "5' stem loop" _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 "5' stem loop" 1 $5'_stem_loop A . yes native no no . . . 28090 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_5'_stem_loop _Entity.Sf_category entity _Entity.Sf_framecode 5'_stem_loop _Entity.Entry_ID 28090 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 5'_stem_loop _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 ; GUGCGAAUGUCGCUAUUAUG ACAGACGCAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 30 _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 . 28090 1 2 . U . 28090 1 3 . G . 28090 1 4 . C . 28090 1 5 . G . 28090 1 6 . A . 28090 1 7 . A . 28090 1 8 . U . 28090 1 9 . G . 28090 1 10 . U . 28090 1 11 . C . 28090 1 12 . G . 28090 1 13 . C . 28090 1 14 . U . 28090 1 15 . A . 28090 1 16 . U . 28090 1 17 . U . 28090 1 18 . A . 28090 1 19 . U . 28090 1 20 . G . 28090 1 21 . A . 28090 1 22 . C . 28090 1 23 . A . 28090 1 24 . G . 28090 1 25 . A . 28090 1 26 . C . 28090 1 27 . G . 28090 1 28 . C . 28090 1 29 . A . 28090 1 30 . C . 28090 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 28090 1 . U 2 2 28090 1 . G 3 3 28090 1 . C 4 4 28090 1 . G 5 5 28090 1 . A 6 6 28090 1 . A 7 7 28090 1 . U 8 8 28090 1 . G 9 9 28090 1 . U 10 10 28090 1 . C 11 11 28090 1 . G 12 12 28090 1 . C 13 13 28090 1 . U 14 14 28090 1 . A 15 15 28090 1 . U 16 16 28090 1 . U 17 17 28090 1 . A 18 18 28090 1 . U 19 19 28090 1 . G 20 20 28090 1 . A 21 21 28090 1 . C 22 22 28090 1 . A 23 23 28090 1 . G 24 24 28090 1 . A 25 25 28090 1 . C 26 26 28090 1 . G 27 27 28090 1 . C 28 28 28090 1 . A 29 29 28090 1 . C 30 30 28090 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 28090 _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 $5'_stem_loop . 38018 virus . 'T4 bacteriophage' 'T4 bacteriophage' . . Viruses . T4 bacteriophage . . . . . . . . . . . . . 28090 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 28090 _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 $5'_stem_loop . 'in vitro transcription' 'T7 RNA polymerase' . . . . . . . . 'DNA oligonucleotides' . . N/A . . . 28090 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_10%_D2O _Sample.Sf_category sample _Sample.Sf_framecode 10%_D2O _Sample.Entry_ID 28090 _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 "5' stem loop" '[U-99% 13C; U-99% 15N]' . . 1 $5'_stem_loop . . 0.3 . . mM . . . . 28090 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 28090 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 28090 1 stop_ save_ save_99.99%_D2O _Sample.Sf_category sample _Sample.Sf_framecode 99.99%_D2O _Sample.Entry_ID 28090 _Sample.ID 2 _Sample.Name . _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 "5' stem loop" '[U-99% 13C; U-99% 15N]' . . 1 $5'_stem_loop . . 0.3 . . mM . . . . 28090 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 28090 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 28090 2 stop_ save_ ####################### # Sample conditions # ####################### save_10%_D2O_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 10%_D2O_conditions _Sample_condition_list.Entry_ID 28090 _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 28090 1 pressure 1 . atm 28090 1 temperature 298 . K 28090 1 stop_ save_ save_99.99%_D2O_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 99.99%_D2O_conditions _Sample_condition_list.Entry_ID 28090 _Sample_condition_list.ID 2 _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 28090 2 pressure 1 . atm 28090 2 temperature 298 . K 28090 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 28090 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version 4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 28090 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28090 1 processing . 28090 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28090 _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 . . 28090 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28090 2 'peak picking' . 28090 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz _NMR_spectrometer.Entry_ID 28090 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 28090 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _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 28090 _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 800MHz Agilent VNMRS . 800 . . . 28090 1 2 600MHz Agilent INOVA . 600 . . . 28090 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 28090 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $10%_D2O isotropic . . 1 $10%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $10%_D2O isotropic . . 1 $10%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 1 3 '2D 1H-15N HNNCOSY' no . . . . . . . . . . . . 1 $10%_D2O isotropic . . 1 $10%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 1 4 '3D 1H-15N NOESYHSQC' no . . . . . . . . . . . . 1 $10%_D2O isotropic . . 1 $10%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 1 5 '3D HNCCCH' no . . . . . . . . . . . . 1 $10%_D2O isotropic . . 1 $10%_D2O_conditions . . . 2 $600MHz . . . . . . . . . . . . . . . . . 28090 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $99.99%_D2O isotropic . . 2 $99.99%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $99.99%_D2O isotropic . . 2 $99.99%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 1 8 '3D 1H-13C NOESYHSQC' no . . . . . . . . . . . . 2 $99.99%_D2O isotropic . . 2 $99.99%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $99.99%_D2O isotropic . . 2 $99.99%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 1 10 '2D DQF-COSY' no . . . . . . . . . . . . 2 $99.99%_D2O isotropic . . 2 $99.99%_D2O_conditions . . . 1 $800MHz . . . . . . . . . . . . . . . . . 28090 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 28090 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . 28090 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 28090 _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 $10%_D2O_conditions _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-1H NOESY' . . . 28090 1 2 '2D 1H-15N HSQC' . . . 28090 1 3 '2D 1H-15N HNNCOSY' . . . 28090 1 4 '3D 1H-15N NOESYHSQC' . . . 28090 1 5 '3D HNCCCH' . . . 28090 1 6 '2D 1H-1H NOESY' . . . 28090 1 7 '2D 1H-13C HSQC' . . . 28090 1 8 '3D 1H-13C NOESYHSQC' . . . 28090 1 9 '3D HCCH-TOCSY' . . . 28090 1 10 '2D DQF-COSY' . . . 28090 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 13.157 . . 1 . . . . . 1 G H1 . 28090 1 2 . 1 . 1 1 1 G N1 N 15 148.259 . . 1 . . . . . 1 G N1 . 28090 1 3 . 1 . 1 2 2 U H1' H 1 5.747 . . 1 . . . . . 2 U H1' . 28090 1 4 . 1 . 1 2 2 U H2' H 1 4.686 . . 1 . . . . . 2 U H2' . 28090 1 5 . 1 . 1 2 2 U H3 H 1 13.636 . . 1 . . . . . 2 U H3 . 28090 1 6 . 1 . 1 2 2 U H5 H 1 5.271 . . 1 . . . . . 2 U H5 . 28090 1 7 . 1 . 1 2 2 U H6 H 1 7.933 . . 1 . . . . . 2 U H6 . 28090 1 8 . 1 . 1 2 2 U C5 C 13 104.819 . . 1 . . . . . 2 U C5 . 28090 1 9 . 1 . 1 2 2 U C6 C 13 141.134 . . 1 . . . . . 2 U C6 . 28090 1 10 . 1 . 1 2 2 U N3 N 15 162.142 . . 1 . . . . . 2 U N3 . 28090 1 11 . 1 . 1 3 3 G H1 H 1 12.543 . . 1 . . . . . 3 G H1 . 28090 1 12 . 1 . 1 3 3 G H1' H 1 5.755 . . 1 . . . . . 3 G H1' . 28090 1 13 . 1 . 1 3 3 G H2' H 1 4.450 . . 1 . . . . . 3 G H2' . 28090 1 14 . 1 . 1 3 3 G H8 H 1 7.636 . . 1 . . . . . 3 G H8 . 28090 1 15 . 1 . 1 3 3 G C1' C 13 92.981 . . 1 . . . . . 3 G C1' . 28090 1 16 . 1 . 1 3 3 G C8 C 13 135.023 . . 1 . . . . . 3 G C8 . 28090 1 17 . 1 . 1 3 3 G N1 N 15 147.811 . . 1 . . . . . 3 G N1 . 28090 1 18 . 1 . 1 3 3 G N9 N 15 168.906 . . 1 . . . . . 3 G N9 . 28090 1 19 . 1 . 1 4 4 C H1' H 1 5.402 . . 1 . . . . . 4 C H1' . 28090 1 20 . 1 . 1 4 4 C H2' H 1 4.357 . . 1 . . . . . 4 C H2' . 28090 1 21 . 1 . 1 4 4 C H5 H 1 5.131 . . 1 . . . . . 4 C H5 . 28090 1 22 . 1 . 1 4 4 C H6 H 1 7.558 . . 1 . . . . . 4 C H6 . 28090 1 23 . 1 . 1 4 4 C H41 H 1 8.186 . . 2 . . . . . 4 C H41 . 28090 1 24 . 1 . 1 4 4 C H42 H 1 6.536 . . 2 . . . . . 4 C H42 . 28090 1 25 . 1 . 1 4 4 C C1' C 13 93.600 . . 1 . . . . . 4 C C1' . 28090 1 26 . 1 . 1 4 4 C C5 C 13 97.005 . . 1 . . . . . 4 C C5 . 28090 1 27 . 1 . 1 4 4 C C6 C 13 139.245 . . 1 . . . . . 4 C C6 . 28090 1 28 . 1 . 1 4 4 C N1 N 15 149.506 . . 1 . . . . . 4 C N1 . 28090 1 29 . 1 . 1 4 4 C N3 N 15 195.435 . . 1 . . . . . 4 C N3 . 28090 1 30 . 1 . 1 4 4 C N4 N 15 98.286 . . 1 . . . . . 4 C N4 . 28090 1 31 . 1 . 1 5 5 G H1 H 1 12.345 . . 1 . . . . . 5 G H1 . 28090 1 32 . 1 . 1 5 5 G H1' H 1 5.909 . . 1 . . . . . 5 G H1' . 28090 1 33 . 1 . 1 5 5 G H2' H 1 4.365 . . 1 . . . . . 5 G H2' . 28090 1 34 . 1 . 1 5 5 G H8 H 1 8.012 . . 1 . . . . . 5 G H8 . 28090 1 35 . 1 . 1 5 5 G C1' C 13 93.600 . . 1 . . . . . 5 G C1' . 28090 1 36 . 1 . 1 5 5 G C8 C 13 138.383 . . 1 . . . . . 5 G C8 . 28090 1 37 . 1 . 1 5 5 G N1 N 15 146.957 . . 1 . . . . . 5 G N1 . 28090 1 38 . 1 . 1 5 5 G N9 N 15 170.457 . . 1 . . . . . 5 G N9 . 28090 1 39 . 1 . 1 6 6 A H1' H 1 5.892 . . 1 . . . . . 6 A H1' . 28090 1 40 . 1 . 1 6 6 A H2 H 1 7.830 . . 1 . . . . . 6 A H2 . 28090 1 41 . 1 . 1 6 6 A H2' H 1 4.478 . . 1 . . . . . 6 A H2' . 28090 1 42 . 1 . 1 6 6 A H8 H 1 7.517 . . 1 . . . . . 6 A H8 . 28090 1 43 . 1 . 1 6 6 A C1' C 13 93.585 . . 1 . . . . . 6 A C1' . 28090 1 44 . 1 . 1 6 6 A C2 C 13 153.240 . . 1 . . . . . 6 A C2 . 28090 1 45 . 1 . 1 7 7 A H1' H 1 5.873 . . 1 . . . . . 7 A H1' . 28090 1 46 . 1 . 1 7 7 A H2 H 1 7.877 . . 1 . . . . . 7 A H2 . 28090 1 47 . 1 . 1 7 7 A H2' H 1 4.280 . . 1 . . . . . 7 A H2' . 28090 1 48 . 1 . 1 7 7 A H8 H 1 7.984 . . 1 . . . . . 7 A H8 . 28090 1 49 . 1 . 1 7 7 A C2 C 13 153.412 . . 1 . . . . . 7 A C2 . 28090 1 50 . 1 . 1 8 8 U H1' H 1 5.760 . . 1 . . . . . 8 U H1' . 28090 1 51 . 1 . 1 8 8 U H2' H 1 4.300 . . 1 . . . . . 8 U H2' . 28090 1 52 . 1 . 1 8 8 U H3 H 1 13.360 . . 1 . . . . . 8 U H3 . 28090 1 53 . 1 . 1 8 8 U H5 H 1 5.520 . . 1 . . . . . 8 U H5 . 28090 1 54 . 1 . 1 8 8 U H6 H 1 7.902 . . 1 . . . . . 8 U H6 . 28090 1 55 . 1 . 1 8 8 U C5 C 13 104.850 . . 1 . . . . . 8 U C5 . 28090 1 56 . 1 . 1 8 8 U C6 C 13 140.933 . . 1 . . . . . 8 U C6 . 28090 1 57 . 1 . 1 8 8 U N1 N 15 145.882 . . 1 . . . . . 8 U N1 . 28090 1 58 . 1 . 1 9 9 G H1 H 1 12.445 . . 1 . . . . . 9 G H1 . 28090 1 59 . 1 . 1 9 9 G H1' H 1 5.755 . . 1 . . . . . 9 G H1' . 28090 1 60 . 1 . 1 9 9 G H2' H 1 4.389 . . 1 . . . . . 9 G H2' . 28090 1 61 . 1 . 1 9 9 G H3' H 1 4.537 . . 1 . . . . . 9 G H3' . 28090 1 62 . 1 . 1 9 9 G H8 H 1 7.650 . . 1 . . . . . 9 G H8 . 28090 1 63 . 1 . 1 9 9 G C1' C 13 93.651 . . 1 . . . . . 9 G C1' . 28090 1 64 . 1 . 1 9 9 G C2' C 13 74.844 . . 1 . . . . . 9 G C2' . 28090 1 65 . 1 . 1 9 9 G C8 C 13 135.457 . . 1 . . . . . 9 G C8 . 28090 1 66 . 1 . 1 9 9 G N1 N 15 147.177 . . 1 . . . . . 9 G N1 . 28090 1 67 . 1 . 1 9 9 G N9 N 15 169.070 . . 1 . . . . . 9 G N9 . 28090 1 68 . 1 . 1 10 10 U H1' H 1 5.477 . . 1 . . . . . 10 U H1' . 28090 1 69 . 1 . 1 10 10 U H2' H 1 4.349 . . 1 . . . . . 10 U H2' . 28090 1 70 . 1 . 1 10 10 U H3 H 1 14.198 . . 1 . . . . . 10 U H3 . 28090 1 71 . 1 . 1 10 10 U H3' H 1 4.245 . . 1 . . . . . 10 U H3' . 28090 1 72 . 1 . 1 10 10 U H5 H 1 5.031 . . 1 . . . . . 10 U H5 . 28090 1 73 . 1 . 1 10 10 U H6 H 1 7.723 . . 1 . . . . . 10 U H6 . 28090 1 74 . 1 . 1 10 10 U C1' C 13 93.361 . . 1 . . . . . 10 U C1' . 28090 1 75 . 1 . 1 10 10 U C2' C 13 75.704 . . 1 . . . . . 10 U C2' . 28090 1 76 . 1 . 1 10 10 U C5 C 13 102.105 . . 1 . . . . . 10 U C5 . 28090 1 77 . 1 . 1 10 10 U C6 C 13 140.675 . . 1 . . . . . 10 U C6 . 28090 1 78 . 1 . 1 10 10 U N1 N 15 146.147 . . 1 . . . . . 10 U N1 . 28090 1 79 . 1 . 1 10 10 U N3 N 15 162.563 . . 1 . . . . . 10 U N3 . 28090 1 80 . 1 . 1 11 11 C H1' H 1 5.548 . . 1 . . . . . 11 C H1' . 28090 1 81 . 1 . 1 11 11 C H2' H 1 4.533 . . 1 . . . . . 11 C H2' . 28090 1 82 . 1 . 1 11 11 C H5 H 1 5.438 . . 1 . . . . . 11 C H5 . 28090 1 83 . 1 . 1 11 11 C H6 H 1 7.673 . . 1 . . . . . 11 C H6 . 28090 1 84 . 1 . 1 11 11 C H41 H 1 8.140 . . 2 . . . . . 11 C H41 . 28090 1 85 . 1 . 1 11 11 C H42 H 1 6.669 . . 2 . . . . . 11 C H42 . 28090 1 86 . 1 . 1 11 11 C C1' C 13 92.951 . . 1 . . . . . 11 C C1' . 28090 1 87 . 1 . 1 11 11 C C5 C 13 97.514 . . 1 . . . . . 11 C C5 . 28090 1 88 . 1 . 1 11 11 C C6 C 13 139.820 . . 1 . . . . . 11 C C6 . 28090 1 89 . 1 . 1 11 11 C N1 N 15 150.036 . . 1 . . . . . 11 C N1 . 28090 1 90 . 1 . 1 11 11 C N3 N 15 195.076 . . 1 . . . . . 11 C N3 . 28090 1 91 . 1 . 1 11 11 C N4 N 15 98.286 . . 1 . . . . . 11 C N4 . 28090 1 92 . 1 . 1 12 12 G H1 H 1 10.300 . . 1 . . . . . 12 G H1 . 28090 1 93 . 1 . 1 12 12 G H1' H 1 5.593 . . 1 . . . . . 12 G H1' . 28090 1 94 . 1 . 1 12 12 G H2' H 1 4.373 . . 1 . . . . . 12 G H2' . 28090 1 95 . 1 . 1 12 12 G H8 H 1 7.481 . . 1 . . . . . 12 G H8 . 28090 1 96 . 1 . 1 12 12 G C1' C 13 93.651 . . 1 . . . . . 12 G C1' . 28090 1 97 . 1 . 1 12 12 G C8 C 13 135.526 . . 1 . . . . . 12 G C8 . 28090 1 98 . 1 . 1 13 13 C H1' H 1 5.527 . . 1 . . . . . 13 C H1' . 28090 1 99 . 1 . 1 13 13 C H2' H 1 3.858 . . 1 . . . . . 13 C H2' . 28090 1 100 . 1 . 1 13 13 C H3' H 1 4.083 . . 1 . . . . . 13 C H3' . 28090 1 101 . 1 . 1 13 13 C H5 H 1 5.257 . . 1 . . . . . 13 C H5 . 28090 1 102 . 1 . 1 13 13 C H6 H 1 7.383 . . 1 . . . . . 13 C H6 . 28090 1 103 . 1 . 1 13 13 C H41 H 1 8.212 . . 2 . . . . . 13 C H41 . 28090 1 104 . 1 . 1 13 13 C H42 H 1 6.942 . . 2 . . . . . 13 C H42 . 28090 1 105 . 1 . 1 13 13 C C1' C 13 93.143 . . 1 . . . . . 13 C C1' . 28090 1 106 . 1 . 1 13 13 C C2' C 13 77.151 . . 1 . . . . . 13 C C2' . 28090 1 107 . 1 . 1 13 13 C C3' C 13 83.330 . . 1 . . . . . 13 C C3' . 28090 1 108 . 1 . 1 13 13 C C5 C 13 96.646 . . 1 . . . . . 13 C C5 . 28090 1 109 . 1 . 1 13 13 C C6 C 13 140.131 . . 1 . . . . . 13 C C6 . 28090 1 110 . 1 . 1 13 13 C N1 N 15 152.039 . . 1 . . . . . 13 C N1 . 28090 1 111 . 1 . 1 13 13 C N4 N 15 97.161 . . 1 . . . . . 13 C N4 . 28090 1 112 . 1 . 1 14 14 U H1' H 1 5.580 . . 1 . . . . . 14 U H1' . 28090 1 113 . 1 . 1 14 14 U H2' H 1 4.057 . . 1 . . . . . 14 U H2' . 28090 1 114 . 1 . 1 14 14 U H3' H 1 4.422 . . 1 . . . . . 14 U H3' . 28090 1 115 . 1 . 1 14 14 U H4' H 1 3.966 . . 1 . . . . . 14 U H4' . 28090 1 116 . 1 . 1 14 14 U H5 H 1 5.555 . . 1 . . . . . 14 U H5 . 28090 1 117 . 1 . 1 14 14 U H6 H 1 7.537 . . 1 . . . . . 14 U H6 . 28090 1 118 . 1 . 1 14 14 U C1' C 13 90.276 . . 1 . . . . . 14 U C1' . 28090 1 119 . 1 . 1 14 14 U C4' C 13 83.727 . . 1 . . . . . 14 U C4' . 28090 1 120 . 1 . 1 14 14 U C5 C 13 104.677 . . 1 . . . . . 14 U C5 . 28090 1 121 . 1 . 1 14 14 U C6 C 13 141.937 . . 1 . . . . . 14 U C6 . 28090 1 122 . 1 . 1 14 14 U N1 N 15 143.697 . . 1 . . . . . 14 U N1 . 28090 1 123 . 1 . 1 15 15 A H1' H 1 5.956 . . 1 . . . . . 15 A H1' . 28090 1 124 . 1 . 1 15 15 A H2 H 1 8.061 . . 1 . . . . . 15 A H2 . 28090 1 125 . 1 . 1 15 15 A H2' H 1 4.884 . . 1 . . . . . 15 A H2' . 28090 1 126 . 1 . 1 15 15 A H3' H 1 4.629 . . 1 . . . . . 15 A H3' . 28090 1 127 . 1 . 1 15 15 A H8 H 1 8.252 . . 1 . . . . . 15 A H8 . 28090 1 128 . 1 . 1 15 15 A C1' C 13 90.340 . . 1 . . . . . 15 A C1' . 28090 1 129 . 1 . 1 15 15 A C2 C 13 154.349 . . 1 . . . . . 15 A C2 . 28090 1 130 . 1 . 1 15 15 A C2' C 13 75.181 . . 1 . . . . . 15 A C2' . 28090 1 131 . 1 . 1 15 15 A C8 C 13 141.476 . . 1 . . . . . 15 A C8 . 28090 1 132 . 1 . 1 15 15 A N9 N 15 168.096 . . 1 . . . . . 15 A N9 . 28090 1 133 . 1 . 1 16 16 U H1' H 1 5.830 . . 1 . . . . . 16 U H1' . 28090 1 134 . 1 . 1 16 16 U H2' H 1 4.339 . . 1 . . . . . 16 U H2' . 28090 1 135 . 1 . 1 16 16 U H5 H 1 5.761 . . 1 . . . . . 16 U H5 . 28090 1 136 . 1 . 1 16 16 U H6 H 1 7.728 . . 1 . . . . . 16 U H6 . 28090 1 137 . 1 . 1 16 16 U C1' C 13 90.495 . . 1 . . . . . 16 U C1' . 28090 1 138 . 1 . 1 16 16 U C5 C 13 104.819 . . 1 . . . . . 16 U C5 . 28090 1 139 . 1 . 1 16 16 U C6 C 13 142.398 . . 1 . . . . . 16 U C6 . 28090 1 140 . 1 . 1 16 16 U N1 N 15 143.515 . . 1 . . . . . 16 U N1 . 28090 1 141 . 1 . 1 17 17 U H1' H 1 5.838 . . 1 . . . . . 17 U H1' . 28090 1 142 . 1 . 1 17 17 U H2' H 1 4.373 . . 1 . . . . . 17 U H2' . 28090 1 143 . 1 . 1 17 17 U H3' H 1 4.628 . . 1 . . . . . 17 U H3' . 28090 1 144 . 1 . 1 17 17 U H5 H 1 5.760 . . 1 . . . . . 17 U H5 . 28090 1 145 . 1 . 1 17 17 U H6 H 1 7.741 . . 1 . . . . . 17 U H6 . 28090 1 146 . 1 . 1 17 17 U C1' C 13 90.460 . . 1 . . . . . 17 U C1' . 28090 1 147 . 1 . 1 17 17 U C5 C 13 104.931 . . 1 . . . . . 17 U C5 . 28090 1 148 . 1 . 1 17 17 U C6 C 13 142.398 . . 1 . . . . . 17 U C6 . 28090 1 149 . 1 . 1 17 17 U N1 N 15 143.576 . . 1 . . . . . 17 U N1 . 28090 1 150 . 1 . 1 18 18 A H1' H 1 5.850 . . 1 . . . . . 18 A H1' . 28090 1 151 . 1 . 1 18 18 A H2 H 1 8.060 . . 1 . . . . . 18 A H2 . 28090 1 152 . 1 . 1 18 18 A H2' H 1 4.695 . . 1 . . . . . 18 A H2' . 28090 1 153 . 1 . 1 18 18 A H8 H 1 8.276 . . 1 . . . . . 18 A H8 . 28090 1 154 . 1 . 1 18 18 A C1' C 13 90.832 . . 1 . . . . . 18 A C1' . 28090 1 155 . 1 . 1 18 18 A C2 C 13 154.304 . . 1 . . . . . 18 A C2 . 28090 1 156 . 1 . 1 18 18 A C8 C 13 140.653 . . 1 . . . . . 18 A C8 . 28090 1 157 . 1 . 1 18 18 A N9 N 15 168.493 . . 1 . . . . . 18 A N9 . 28090 1 158 . 1 . 1 19 19 U H1' H 1 5.867 . . 1 . . . . . 19 U H1' . 28090 1 159 . 1 . 1 19 19 U H2' H 1 4.578 . . 1 . . . . . 19 U H2' . 28090 1 160 . 1 . 1 19 19 U H3 H 1 10.950 . . 1 . . . . . 19 U H3 . 28090 1 161 . 1 . 1 19 19 U H5 H 1 5.641 . . 1 . . . . . 19 U H5 . 28090 1 162 . 1 . 1 19 19 U H6 H 1 7.713 . . 1 . . . . . 19 U H6 . 28090 1 163 . 1 . 1 19 19 U C1' C 13 93.652 . . 1 . . . . . 19 U C1' . 28090 1 164 . 1 . 1 19 19 U C5 C 13 104.598 . . 1 . . . . . 19 U C5 . 28090 1 165 . 1 . 1 19 19 U C6 C 13 141.959 . . 1 . . . . . 19 U C6 . 28090 1 166 . 1 . 1 19 19 U N1 N 15 143.697 . . 1 . . . . . 19 U N1 . 28090 1 167 . 1 . 1 20 20 G H1 H 1 12.129 . . 1 . . . . . 20 G H1 . 28090 1 168 . 1 . 1 20 20 G H1' H 1 5.703 . . 1 . . . . . 20 G H1' . 28090 1 169 . 1 . 1 20 20 G H2' H 1 4.772 . . 1 . . . . . 20 G H2' . 28090 1 170 . 1 . 1 20 20 G H8 H 1 8.019 . . 1 . . . . . 20 G H8 . 28090 1 171 . 1 . 1 20 20 G C1' C 13 92.590 . . 1 . . . . . 20 G C1' . 28090 1 172 . 1 . 1 20 20 G C2' C 13 76.536 . . 1 . . . . . 20 G C2' . 28090 1 173 . 1 . 1 20 20 G C8 C 13 137.145 . . 1 . . . . . 20 G C8 . 28090 1 174 . 1 . 1 20 20 G N1 N 15 146.676 . . 1 . . . . . 20 G N1 . 28090 1 175 . 1 . 1 20 20 G N9 N 15 168.904 . . 1 . . . . . 20 G N9 . 28090 1 176 . 1 . 1 21 21 A H1' H 1 5.981 . . 1 . . . . . 21 A H1' . 28090 1 177 . 1 . 1 21 21 A H2 H 1 7.680 . . 1 . . . . . 21 A H2 . 28090 1 178 . 1 . 1 21 21 A H2' H 1 4.543 . . 1 . . . . . 21 A H2' . 28090 1 179 . 1 . 1 21 21 A H8 H 1 7.958 . . 1 . . . . . 21 A H8 . 28090 1 180 . 1 . 1 21 21 A C1' C 13 93.090 . . 1 . . . . . 21 A C1' . 28090 1 181 . 1 . 1 21 21 A C2 C 13 152.863 . . 1 . . . . . 21 A C2 . 28090 1 182 . 1 . 1 21 21 A C8 C 13 138.744 . . 1 . . . . . 21 A C8 . 28090 1 183 . 1 . 1 21 21 A N1 N 15 221.681 . . 1 . . . . . 21 A N1 . 28090 1 184 . 1 . 1 21 21 A N9 N 15 170.403 . . 1 . . . . . 21 A N9 . 28090 1 185 . 1 . 1 22 22 C H1' H 1 5.352 . . 1 . . . . . 22 C H1' . 28090 1 186 . 1 . 1 22 22 C H2' H 1 4.436 . . 1 . . . . . 22 C H2' . 28090 1 187 . 1 . 1 22 22 C H5 H 1 5.612 . . 1 . . . . . 22 C H5 . 28090 1 188 . 1 . 1 22 22 C H6 H 1 7.414 . . 1 . . . . . 22 C H6 . 28090 1 189 . 1 . 1 22 22 C H41 H 1 8.122 . . 2 . . . . . 22 C H41 . 28090 1 190 . 1 . 1 22 22 C H42 H 1 6.826 . . 2 . . . . . 22 C H42 . 28090 1 191 . 1 . 1 22 22 C C1' C 13 93.368 . . 1 . . . . . 22 C C1' . 28090 1 192 . 1 . 1 22 22 C C5 C 13 96.740 . . 1 . . . . . 22 C C5 . 28090 1 193 . 1 . 1 22 22 C C6 C 13 139.214 . . 1 . . . . . 22 C C6 . 28090 1 194 . 1 . 1 22 22 C N1 N 15 150.071 . . 1 . . . . . 22 C N1 . 28090 1 195 . 1 . 1 22 22 C N3 N 15 195.874 . . 1 . . . . . 22 C N3 . 28090 1 196 . 1 . 1 22 22 C N4 N 15 97.724 . . 1 . . . . . 22 C N4 . 28090 1 197 . 1 . 1 23 23 A H1' H 1 5.801 . . 1 . . . . . 23 A H1' . 28090 1 198 . 1 . 1 23 23 A H2 H 1 7.108 . . 1 . . . . . 23 A H2 . 28090 1 199 . 1 . 1 23 23 A H8 H 1 7.756 . . 1 . . . . . 23 A H8 . 28090 1 200 . 1 . 1 23 23 A C1' C 13 92.978 . . 1 . . . . . 23 A C1' . 28090 1 201 . 1 . 1 23 23 A C2 C 13 151.578 . . 1 . . . . . 23 A C2 . 28090 1 202 . 1 . 1 23 23 A C8 C 13 138.266 . . 1 . . . . . 23 A C8 . 28090 1 203 . 1 . 1 24 24 G H1' H 1 5.893 . . 1 . . . . . 24 G H1' . 28090 1 204 . 1 . 1 24 24 G C1' C 13 92.484 . . 1 . . . . . 24 G C1' . 28090 1 205 . 1 . 1 25 25 A H1' H 1 5.807 . . 1 . . . . . 25 A H1' . 28090 1 206 . 1 . 1 25 25 A H2 H 1 7.982 . . 1 . . . . . 25 A H2 . 28090 1 207 . 1 . 1 25 25 A H8 H 1 8.002 . . 1 . . . . . 25 A H8 . 28090 1 208 . 1 . 1 25 25 A C1' C 13 93.585 . . 1 . . . . . 25 A C1' . 28090 1 209 . 1 . 1 25 25 A C8 C 13 141.010 . . 1 . . . . . 25 A C8 . 28090 1 210 . 1 . 1 26 26 C H1' H 1 5.480 . . 1 . . . . . 26 C H1' . 28090 1 211 . 1 . 1 26 26 C H2' H 1 4.108 . . 1 . . . . . 26 C H2' . 28090 1 212 . 1 . 1 26 26 C H5 H 1 5.525 . . 1 . . . . . 26 C H5 . 28090 1 213 . 1 . 1 26 26 C H6 H 1 7.554 . . 1 . . . . . 26 C H6 . 28090 1 214 . 1 . 1 26 26 C H41 H 1 8.117 . . 2 . . . . . 26 C H41 . 28090 1 215 . 1 . 1 26 26 C H42 H 1 6.629 . . 2 . . . . . 26 C H42 . 28090 1 216 . 1 . 1 26 26 C N1 N 15 151.691 . . 1 . . . . . 26 C N1 . 28090 1 217 . 1 . 1 26 26 C N3 N 15 196.733 . . 1 . . . . . 26 C N3 . 28090 1 218 . 1 . 1 26 26 C N4 N 15 96.036 . . 1 . . . . . 26 C N4 . 28090 1 219 . 1 . 1 27 27 G H1 H 1 12.633 . . 1 . . . . . 27 G H1 . 28090 1 220 . 1 . 1 27 27 G H1' H 1 5.587 . . 1 . . . . . 27 G H1' . 28090 1 221 . 1 . 1 27 27 G H2' H 1 4.339 . . 1 . . . . . 27 G H2' . 28090 1 222 . 1 . 1 27 27 G H8 H 1 7.573 . . 1 . . . . . 27 G H8 . 28090 1 223 . 1 . 1 27 27 G C1' C 13 93.600 . . 1 . . . . . 27 G C1' . 28090 1 224 . 1 . 1 27 27 G C8 C 13 135.269 . . 1 . . . . . 27 G C8 . 28090 1 225 . 1 . 1 27 27 G N1 N 15 147.478 . . 1 . . . . . 27 G N1 . 28090 1 226 . 1 . 1 27 27 G N9 N 15 168.908 . . 1 . . . . . 27 G N9 . 28090 1 227 . 1 . 1 28 28 C H1' H 1 5.486 . . 1 . . . . . 28 C H1' . 28090 1 228 . 1 . 1 28 28 C H2' H 1 4.002 . . 1 . . . . . 28 C H2' . 28090 1 229 . 1 . 1 28 28 C H5 H 1 5.295 . . 1 . . . . . 28 C H5 . 28090 1 230 . 1 . 1 28 28 C H6 H 1 7.491 . . 1 . . . . . 28 C H6 . 28090 1 231 . 1 . 1 28 28 C H41 H 1 8.364 . . 2 . . . . . 28 C H41 . 28090 1 232 . 1 . 1 28 28 C H42 H 1 6.780 . . 2 . . . . . 28 C H42 . 28090 1 233 . 1 . 1 28 28 C C1' C 13 93.600 . . 1 . . . . . 28 C C1' . 28090 1 234 . 1 . 1 28 28 C C2' C 13 75.509 . . 1 . . . . . 28 C C2' . 28090 1 235 . 1 . 1 28 28 C C6 C 13 140.473 . . 1 . . . . . 28 C C6 . 28090 1 236 . 1 . 1 28 28 C N1 N 15 152.633 . . 1 . . . . . 28 C N1 . 28090 1 237 . 1 . 1 28 28 C N3 N 15 195.994 . . 1 . . . . . 28 C N3 . 28090 1 238 . 1 . 1 28 28 C N4 N 15 98.286 . . 1 . . . . . 28 C N4 . 28090 1 239 . 1 . 1 29 29 A H1' H 1 5.590 . . 1 . . . . . 29 A H1' . 28090 1 240 . 1 . 1 29 29 A H2 H 1 7.430 . . 1 . . . . . 29 A H2 . 28090 1 241 . 1 . 1 29 29 A H8 H 1 7.335 . . 1 . . . . . 29 A H8 . 28090 1 242 . 1 . 1 29 29 A C2 C 13 152.370 . . 1 . . . . . 29 A C2 . 28090 1 243 . 1 . 1 29 29 A N1 N 15 220.643 . . 1 . . . . . 29 A N1 . 28090 1 244 . 1 . 1 30 30 C H1' H 1 5.402 . . 1 . . . . . 30 C H1' . 28090 1 245 . 1 . 1 30 30 C H5 H 1 5.142 . . 1 . . . . . 30 C H5 . 28090 1 246 . 1 . 1 30 30 C H6 H 1 7.310 . . 1 . . . . . 30 C H6 . 28090 1 247 . 1 . 1 30 30 C H41 H 1 8.258 . . 2 . . . . . 30 C H41 . 28090 1 248 . 1 . 1 30 30 C H42 H 1 6.951 . . 2 . . . . . 30 C H42 . 28090 1 249 . 1 . 1 30 30 C C6 C 13 139.214 . . 1 . . . . . 30 C C6 . 28090 1 250 . 1 . 1 30 30 C N1 N 15 150.599 . . 1 . . . . . 30 C N1 . 28090 1 251 . 1 . 1 30 30 C N3 N 15 196.453 . . 1 . . . . . 30 C N3 . 28090 1 252 . 1 . 1 30 30 C N4 N 15 98.286 . . 1 . . . . . 30 C N4 . 28090 1 stop_ save_