data_18515 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18515 _Entry.Title ; high resolution NMR solution structure of helix H1 of the human HAR1 RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-11 _Entry.Accession_date 2012-06-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mirko Cevec . . . 18515 2 Melanie Ziegeler . . . 18515 3 Christian Richter . . . 18515 4 Harald Schwalbe . . . 18515 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' . 18515 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID hairpin . 18515 'human HAR1 RNA' . 18515 'UUCG tetraloop' . 18515 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18515 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 277 18515 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 . . 2012-09-19 2012-06-11 update BMRB 'update entry citation' 18515 1 . . 2012-07-24 2012-06-11 original author 'original release' 18515 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LUB 'BMRB Entry Tracking System' 18515 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18515 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22961937 _Citation.Full_citation . _Citation.Title 'NMR Studies of HAR1 RNA Secondary Structures Reveal Conformational Dynamics in the Human RNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 14 _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 2100 _Citation.Page_last 2112 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Melanie Ziegeler . . . 18515 1 2 Mirko Cevec . . . 18515 1 3 Christian Richter . . . 18515 1 4 Harald Schwalbe . . . 18515 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18515 _Assembly.ID 1 _Assembly.Name 'RNA (37-MER)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (37-MER)' 1 $RNA_(37-MER) A . yes native no no . . . 18515 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(37-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(37-MER) _Entity.Entry_ID 18515 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(37-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGUGAAACGGAGGACUUCG GUCCUCAAGUUUCACCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11887.177 _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 . 18515 1 2 . G . 18515 1 3 . G . 18515 1 4 . U . 18515 1 5 . G . 18515 1 6 . A . 18515 1 7 . A . 18515 1 8 . A . 18515 1 9 . C . 18515 1 10 . G . 18515 1 11 . G . 18515 1 12 . A . 18515 1 13 . G . 18515 1 14 . G . 18515 1 15 . A . 18515 1 16 . C . 18515 1 17 . U . 18515 1 18 . U . 18515 1 19 . C . 18515 1 20 . G . 18515 1 21 . G . 18515 1 22 . U . 18515 1 23 . C . 18515 1 24 . C . 18515 1 25 . U . 18515 1 26 . C . 18515 1 27 . A . 18515 1 28 . A . 18515 1 29 . G . 18515 1 30 . U . 18515 1 31 . U . 18515 1 32 . U . 18515 1 33 . C . 18515 1 34 . A . 18515 1 35 . C . 18515 1 36 . C . 18515 1 37 . C . 18515 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 18515 1 . G 2 2 18515 1 . G 3 3 18515 1 . U 4 4 18515 1 . G 5 5 18515 1 . A 6 6 18515 1 . A 7 7 18515 1 . A 8 8 18515 1 . C 9 9 18515 1 . G 10 10 18515 1 . G 11 11 18515 1 . A 12 12 18515 1 . G 13 13 18515 1 . G 14 14 18515 1 . A 15 15 18515 1 . C 16 16 18515 1 . U 17 17 18515 1 . U 18 18 18515 1 . C 19 19 18515 1 . G 20 20 18515 1 . G 21 21 18515 1 . U 22 22 18515 1 . C 23 23 18515 1 . C 24 24 18515 1 . U 25 25 18515 1 . C 26 26 18515 1 . A 27 27 18515 1 . A 28 28 18515 1 . G 29 29 18515 1 . U 30 30 18515 1 . U 31 31 18515 1 . U 32 32 18515 1 . C 33 33 18515 1 . A 34 34 18515 1 . C 35 35 18515 1 . C 36 36 18515 1 . C 37 37 18515 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 18515 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(37-MER) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18515 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 18515 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(37-MER) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pUC19 . . . 'RNA WAS PREPARED BY IN VITRO TRANSCRIPTION USING T7 RNA POLYMERASE AND DNA OLIGONUCLEOTIDE TEMPLATE' . . 18515 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18515 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (37-MER)' '[U-100% 15N]' . . 1 $RNA_(37-MER) . . 1 . . mM . . . . 18515 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18515 1 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18515 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18515 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18515 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18515 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (37-MER)' '[U-100% 15N]' . . 1 $RNA_(37-MER) . . 1 . . mM . . . . 18515 2 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18515 2 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18515 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18515 2 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 18515 _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' 75 . mM 18515 1 pH 6.2 . pH 18515 1 pressure 1 . atm 18515 1 temperature 298 . K 18515 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18515 _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' 75 . mM 18515 2 pH 6.2 . pH 18515 2 pressure 1 . atm 18515 2 temperature 278 . K 18515 2 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18515 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18515 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18515 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18515 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18515 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18515 2 processing 18515 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18515 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18515 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18515 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18515 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18515 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18515 4 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 18515 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18515 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18515 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18515 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _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 18515 _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 spectrometer_1 Bruker Avance . 900 . . . 18515 1 2 spectrometer_2 Bruker Avance . 800 . . . 18515 1 3 spectrometer_3 Bruker Avance . 700 . . . 18515 1 4 spectrometer_4 Bruker Avance . 600 . . . 18515 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 18515 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18515 1 2 '2D HNN-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18515 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18515 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18515 1 5 '2D 1H-15N CPMG-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18515 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18515 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18515 1 8 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18515 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18515 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 18515 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 18515 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 18515 _Assigned_chem_shift_list.ID 1 _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 7 '2D 1H-1H NOESY' . . . 18515 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 12.902 0.02 . 1 . . . A 1 G H1 . 18515 1 2 . 1 1 1 1 G H1' H 1 5.857 0.02 . 1 . . . A 1 G H1' . 18515 1 3 . 1 1 1 1 G H2' H 1 4.953 0.02 . 1 . . . A 1 G H2' . 18515 1 4 . 1 1 1 1 G H3' H 1 4.757 0.02 . 1 . . . A 1 G H3' . 18515 1 5 . 1 1 1 1 G H4' H 1 4.582 0.02 . 1 . . . A 1 G H4' . 18515 1 6 . 1 1 1 1 G H5' H 1 4.487 0.02 . 1 . . . A 1 G H5' . 18515 1 7 . 1 1 1 1 G H5'' H 1 4.308 0.02 . 1 . . . A 1 G H5'' . 18515 1 8 . 1 1 1 1 G H8 H 1 8.188 0.02 . 1 . . . A 1 G H8 . 18515 1 9 . 1 1 2 2 G H1 H 1 12.902 0.02 . 1 . . . A 2 G H1 . 18515 1 10 . 1 1 2 2 G H1' H 1 5.976 0.02 . 1 . . . A 2 G H1' . 18515 1 11 . 1 1 2 2 G H2' H 1 4.763 0.02 . 1 . . . A 2 G H2' . 18515 1 12 . 1 1 2 2 G H3' H 1 4.580 0.02 . 1 . . . A 2 G H3' . 18515 1 13 . 1 1 2 2 G H5' H 1 4.521 0.02 . 1 . . . A 2 G H5' . 18515 1 14 . 1 1 2 2 G H5'' H 1 4.279 0.02 . 1 . . . A 2 G H5'' . 18515 1 15 . 1 1 2 2 G H8 H 1 7.589 0.02 . 1 . . . A 2 G H8 . 18515 1 16 . 1 1 2 2 G H22 H 1 6.058 0.02 . 1 . . . A 2 G H22 . 18515 1 17 . 1 1 3 3 G H1 H 1 13.236 0.02 . 1 . . . A 3 G H1 . 18515 1 18 . 1 1 3 3 G H1' H 1 5.816 0.02 . 1 . . . A 3 G H1' . 18515 1 19 . 1 1 3 3 G H2' H 1 4.515 0.02 . 1 . . . A 3 G H2' . 18515 1 20 . 1 1 3 3 G H3' H 1 4.443 0.02 . 1 . . . A 3 G H3' . 18515 1 21 . 1 1 3 3 G H8 H 1 7.215 0.02 . 1 . . . A 3 G H8 . 18515 1 22 . 1 1 3 3 G H21 H 1 8.475 0.02 . 1 . . . A 3 G H21 . 18515 1 23 . 1 1 3 3 G H22 H 1 6.072 0.02 . 1 . . . A 3 G H22 . 18515 1 24 . 1 1 3 3 G HO2' H 1 7.016 0.02 . 1 . . . A 3 G HO2' . 18515 1 25 . 1 1 4 4 U H1' H 1 5.564 0.02 . 1 . . . A 4 U H1' . 18515 1 26 . 1 1 4 4 U H2' H 1 4.695 0.02 . 1 . . . A 4 U H2' . 18515 1 27 . 1 1 4 4 U H3 H 1 13.683 0.02 . 1 . . . A 4 U H3 . 18515 1 28 . 1 1 4 4 U H3' H 1 4.520 0.02 . 1 . . . A 4 U H3' . 18515 1 29 . 1 1 4 4 U H5 H 1 5.083 0.02 . 1 . . . A 4 U H5 . 18515 1 30 . 1 1 4 4 U H6 H 1 7.673 0.02 . 1 . . . A 4 U H6 . 18515 1 31 . 1 1 5 5 G H1 H 1 11.700 0.02 . 1 . . . A 5 G H1 . 18515 1 32 . 1 1 5 5 G H1' H 1 5.755 0.02 . 1 . . . A 5 G H1' . 18515 1 33 . 1 1 5 5 G H2' H 1 4.620 0.02 . 1 . . . A 5 G H2' . 18515 1 34 . 1 1 5 5 G H3' H 1 4.586 0.02 . 1 . . . A 5 G H3' . 18515 1 35 . 1 1 5 5 G H8 H 1 7.679 0.02 . 1 . . . A 5 G H8 . 18515 1 36 . 1 1 6 6 A H1' H 1 5.810 0.02 . 1 . . . A 6 A H1' . 18515 1 37 . 1 1 6 6 A H2 H 1 7.021 0.02 . 1 . . . A 6 A H2 . 18515 1 38 . 1 1 6 6 A H2' H 1 4.560 0.02 . 1 . . . A 6 A H2' . 18515 1 39 . 1 1 6 6 A H3' H 1 4.669 0.02 . 1 . . . A 6 A H3' . 18515 1 40 . 1 1 6 6 A H8 H 1 7.742 0.02 . 1 . . . A 6 A H8 . 18515 1 41 . 1 1 6 6 A H61 H 1 7.778 0.02 . 1 . . . A 6 A H61 . 18515 1 42 . 1 1 6 6 A H62 H 1 6.638 0.02 . 1 . . . A 6 A H62 . 18515 1 43 . 1 1 7 7 A H1' H 1 5.754 0.02 . 1 . . . A 7 A H1' . 18515 1 44 . 1 1 7 7 A H2 H 1 7.119 0.02 . 1 . . . A 7 A H2 . 18515 1 45 . 1 1 7 7 A H2' H 1 4.446 0.02 . 1 . . . A 7 A H2' . 18515 1 46 . 1 1 7 7 A H3' H 1 4.500 0.02 . 1 . . . A 7 A H3' . 18515 1 47 . 1 1 7 7 A H8 H 1 7.646 0.02 . 1 . . . A 7 A H8 . 18515 1 48 . 1 1 7 7 A H61 H 1 7.924 0.02 . 1 . . . A 7 A H61 . 18515 1 49 . 1 1 7 7 A H62 H 1 6.712 0.02 . 1 . . . A 7 A H62 . 18515 1 50 . 1 1 7 7 A HO2' H 1 6.806 0.02 . 1 . . . A 7 A HO2' . 18515 1 51 . 1 1 8 8 A H1' H 1 5.895 0.02 . 1 . . . A 8 A H1' . 18515 1 52 . 1 1 8 8 A H2 H 1 7.759 0.02 . 1 . . . A 8 A H2 . 18515 1 53 . 1 1 8 8 A H2' H 1 4.456 0.02 . 1 . . . A 8 A H2' . 18515 1 54 . 1 1 8 8 A H3' H 1 4.589 0.02 . 1 . . . A 8 A H3' . 18515 1 55 . 1 1 8 8 A H8 H 1 7.651 0.02 . 1 . . . A 8 A H8 . 18515 1 56 . 1 1 8 8 A H61 H 1 8.114 0.02 . 1 . . . A 8 A H61 . 18515 1 57 . 1 1 8 8 A H62 H 1 6.611 0.02 . 1 . . . A 8 A H62 . 18515 1 58 . 1 1 8 8 A HO2' H 1 6.899 0.02 . 1 . . . A 8 A HO2' . 18515 1 59 . 1 1 9 9 C H1' H 1 5.349 0.02 . 1 . . . A 9 C H1' . 18515 1 60 . 1 1 9 9 C H2' H 1 4.362 0.02 . 1 . . . A 9 C H2' . 18515 1 61 . 1 1 9 9 C H3' H 1 4.330 0.02 . 1 . . . A 9 C H3' . 18515 1 62 . 1 1 9 9 C H5 H 1 5.162 0.02 . 1 . . . A 9 C H5 . 18515 1 63 . 1 1 9 9 C H5'' H 1 4.053 0.02 . 1 . . . A 9 C H5'' . 18515 1 64 . 1 1 9 9 C H6 H 1 7.258 0.02 . 1 . . . A 9 C H6 . 18515 1 65 . 1 1 9 9 C H41 H 1 8.087 0.02 . 1 . . . A 9 C H41 . 18515 1 66 . 1 1 9 9 C H42 H 1 6.856 0.02 . 1 . . . A 9 C H42 . 18515 1 67 . 1 1 10 10 G H1' H 1 5.767 0.02 . 1 . . . A 10 G H1' . 18515 1 68 . 1 1 10 10 G H2' H 1 4.405 0.02 . 1 . . . A 10 G H2' . 18515 1 69 . 1 1 10 10 G H3' H 1 4.697 0.02 . 1 . . . A 10 G H3' . 18515 1 70 . 1 1 10 10 G H5'' H 1 4.145 0.02 . 1 . . . A 10 G H5'' . 18515 1 71 . 1 1 10 10 G H8 H 1 7.662 0.02 . 1 . . . A 10 G H8 . 18515 1 72 . 1 1 11 11 G H1 H 1 11.747 0.02 . 1 . . . A 11 G H1 . 18515 1 73 . 1 1 11 11 G H1' H 1 5.612 0.02 . 1 . . . A 11 G H1' . 18515 1 74 . 1 1 11 11 G H2' H 1 4.708 0.02 . 1 . . . A 11 G H2' . 18515 1 75 . 1 1 11 11 G H8 H 1 7.735 0.02 . 1 . . . A 11 G H8 . 18515 1 76 . 1 1 11 11 G H21 H 1 7.692 0.02 . 1 . . . A 11 G H21 . 18515 1 77 . 1 1 11 11 G H22 H 1 5.816 0.02 . 1 . . . A 11 G H22 . 18515 1 78 . 1 1 12 12 A H1' H 1 5.913 0.02 . 1 . . . A 12 A H1' . 18515 1 79 . 1 1 12 12 A H2 H 1 7.376 0.02 . 1 . . . A 12 A H2 . 18515 1 80 . 1 1 12 12 A H2' H 1 4.664 0.02 . 1 . . . A 12 A H2' . 18515 1 81 . 1 1 12 12 A H8 H 1 7.803 0.02 . 1 . . . A 12 A H8 . 18515 1 82 . 1 1 12 12 A H62 H 1 6.388 0.02 . 1 . . . A 12 A H62 . 18515 1 83 . 1 1 13 13 G H1 H 1 12.785 0.02 . 1 . . . A 13 G H1 . 18515 1 84 . 1 1 13 13 G H1' H 1 5.619 0.02 . 1 . . . A 13 G H1' . 18515 1 85 . 1 1 13 13 G H2' H 1 4.526 0.02 . 1 . . . A 13 G H2' . 18515 1 86 . 1 1 13 13 G H3' H 1 4.453 0.02 . 1 . . . A 13 G H3' . 18515 1 87 . 1 1 13 13 G H5'' H 1 4.066 0.02 . 1 . . . A 13 G H5'' . 18515 1 88 . 1 1 13 13 G H8 H 1 7.084 0.02 . 1 . . . A 13 G H8 . 18515 1 89 . 1 1 13 13 G H21 H 1 8.341 0.02 . 1 . . . A 13 G H21 . 18515 1 90 . 1 1 13 13 G H22 H 1 6.082 0.02 . 1 . . . A 13 G H22 . 18515 1 91 . 1 1 14 14 G H1 H 1 12.516 0.02 . 1 . . . A 14 G H1 . 18515 1 92 . 1 1 14 14 G H1' H 1 5.720 0.02 . 1 . . . A 14 G H1' . 18515 1 93 . 1 1 14 14 G H2' H 1 4.553 0.02 . 1 . . . A 14 G H2' . 18515 1 94 . 1 1 14 14 G H3' H 1 4.474 0.02 . 1 . . . A 14 G H3' . 18515 1 95 . 1 1 14 14 G H5'' H 1 4.072 0.02 . 1 . . . A 14 G H5'' . 18515 1 96 . 1 1 14 14 G H8 H 1 7.167 0.02 . 1 . . . A 14 G H8 . 18515 1 97 . 1 1 14 14 G H21 H 1 7.994 0.02 . 1 . . . A 14 G H21 . 18515 1 98 . 1 1 14 14 G H22 H 1 5.891 0.02 . 1 . . . A 14 G H22 . 18515 1 99 . 1 1 15 15 A H1' H 1 6.025 0.02 . 1 . . . A 15 A H1' . 18515 1 100 . 1 1 15 15 A H2 H 1 7.864 0.02 . 1 . . . A 15 A H2 . 18515 1 101 . 1 1 15 15 A H2' H 1 4.639 0.02 . 1 . . . A 15 A H2' . 18515 1 102 . 1 1 15 15 A H3' H 1 4.639 0.02 . 1 . . . A 15 A H3' . 18515 1 103 . 1 1 15 15 A H8 H 1 7.806 0.02 . 1 . . . A 15 A H8 . 18515 1 104 . 1 1 15 15 A H61 H 1 8.442 0.02 . 1 . . . A 15 A H61 . 18515 1 105 . 1 1 15 15 A H62 H 1 6.676 0.02 . 1 . . . A 15 A H62 . 18515 1 106 . 1 1 16 16 C H1' H 1 5.356 0.02 . 1 . . . A 16 C H1' . 18515 1 107 . 1 1 16 16 C H2' H 1 4.421 0.02 . 1 . . . A 16 C H2' . 18515 1 108 . 1 1 16 16 C H3' H 1 4.125 0.02 . 1 . . . A 16 C H3' . 18515 1 109 . 1 1 16 16 C H4' H 1 4.427 0.02 . 1 . . . A 16 C H4' . 18515 1 110 . 1 1 16 16 C H5 H 1 5.210 0.02 . 1 . . . A 16 C H5 . 18515 1 111 . 1 1 16 16 C H5' H 1 4.433 0.02 . 1 . . . A 16 C H5' . 18515 1 112 . 1 1 16 16 C H5'' H 1 4.017 0.02 . 1 . . . A 16 C H5'' . 18515 1 113 . 1 1 16 16 C H6 H 1 7.210 0.02 . 1 . . . A 16 C H6 . 18515 1 114 . 1 1 16 16 C H41 H 1 8.629 0.02 . 1 . . . A 16 C H41 . 18515 1 115 . 1 1 16 16 C H42 H 1 7.107 0.02 . 1 . . . A 16 C H42 . 18515 1 116 . 1 1 16 16 C HO2' H 1 7.037 0.02 . 1 . . . A 16 C HO2' . 18515 1 117 . 1 1 17 17 U H1' H 1 5.691 0.02 . 1 . . . A 17 U H1' . 18515 1 118 . 1 1 17 17 U H2' H 1 3.807 0.02 . 1 . . . A 17 U H2' . 18515 1 119 . 1 1 17 17 U H3 H 1 11.906 0.02 . 1 . . . A 17 U H3 . 18515 1 120 . 1 1 17 17 U H3' H 1 4.550 0.02 . 1 . . . A 17 U H3' . 18515 1 121 . 1 1 17 17 U H4' H 1 4.382 0.02 . 1 . . . A 17 U H4' . 18515 1 122 . 1 1 17 17 U H5 H 1 5.650 0.02 . 1 . . . A 17 U H5 . 18515 1 123 . 1 1 17 17 U H5'' H 1 4.114 0.02 . 1 . . . A 17 U H5'' . 18515 1 124 . 1 1 17 17 U H6 H 1 7.787 0.02 . 1 . . . A 17 U H6 . 18515 1 125 . 1 1 17 17 U HO2' H 1 6.773 0.02 . 1 . . . A 17 U HO2' . 18515 1 126 . 1 1 18 18 U H1' H 1 6.125 0.02 . 1 . . . A 18 U H1' . 18515 1 127 . 1 1 18 18 U H2' H 1 4.699 0.02 . 1 . . . A 18 U H2' . 18515 1 128 . 1 1 18 18 U H3' H 1 4.044 0.02 . 1 . . . A 18 U H3' . 18515 1 129 . 1 1 18 18 U H4' H 1 4.504 0.02 . 1 . . . A 18 U H4' . 18515 1 130 . 1 1 18 18 U H5 H 1 5.884 0.02 . 1 . . . A 18 U H5 . 18515 1 131 . 1 1 18 18 U H5' H 1 4.264 0.02 . 1 . . . A 18 U H5' . 18515 1 132 . 1 1 18 18 U H5'' H 1 4.062 0.02 . 1 . . . A 18 U H5'' . 18515 1 133 . 1 1 18 18 U H6 H 1 8.046 0.02 . 1 . . . A 18 U H6 . 18515 1 134 . 1 1 19 19 C H1' H 1 5.990 0.02 . 1 . . . A 19 C H1' . 18515 1 135 . 1 1 19 19 C H2' H 1 4.127 0.02 . 1 . . . A 19 C H2' . 18515 1 136 . 1 1 19 19 C H3' H 1 4.508 0.02 . 1 . . . A 19 C H3' . 18515 1 137 . 1 1 19 19 C H4' H 1 3.828 0.02 . 1 . . . A 19 C H4' . 18515 1 138 . 1 1 19 19 C H5 H 1 6.143 0.02 . 1 . . . A 19 C H5 . 18515 1 139 . 1 1 19 19 C H5' H 1 2.731 0.02 . 1 . . . A 19 C H5' . 18515 1 140 . 1 1 19 19 C H5'' H 1 3.631 0.02 . 1 . . . A 19 C H5'' . 18515 1 141 . 1 1 19 19 C H6 H 1 7.726 0.02 . 1 . . . A 19 C H6 . 18515 1 142 . 1 1 19 19 C H41 H 1 7.219 0.02 . 1 . . . A 19 C H41 . 18515 1 143 . 1 1 19 19 C H42 H 1 6.400 0.02 . 1 . . . A 19 C H42 . 18515 1 144 . 1 1 20 20 G H1 H 1 9.954 0.02 . 1 . . . A 20 G H1 . 18515 1 145 . 1 1 20 20 G H1' H 1 5.992 0.02 . 1 . . . A 20 G H1' . 18515 1 146 . 1 1 20 20 G H2' H 1 4.854 0.02 . 1 . . . A 20 G H2' . 18515 1 147 . 1 1 20 20 G H3' H 1 5.667 0.02 . 1 . . . A 20 G H3' . 18515 1 148 . 1 1 20 20 G H4' H 1 4.438 0.02 . 1 . . . A 20 G H4' . 18515 1 149 . 1 1 20 20 G H5' H 1 4.215 0.02 . 1 . . . A 20 G H5' . 18515 1 150 . 1 1 20 20 G H5'' H 1 4.437 0.02 . 1 . . . A 20 G H5'' . 18515 1 151 . 1 1 20 20 G H8 H 1 7.891 0.02 . 1 . . . A 20 G H8 . 18515 1 152 . 1 1 21 21 G H1 H 1 13.582 0.02 . 1 . . . A 21 G H1 . 18515 1 153 . 1 1 21 21 G H1' H 1 4.453 0.02 . 1 . . . A 21 G H1' . 18515 1 154 . 1 1 21 21 G H2' H 1 4.429 0.02 . 1 . . . A 21 G H2' . 18515 1 155 . 1 1 21 21 G H3' H 1 4.271 0.02 . 1 . . . A 21 G H3' . 18515 1 156 . 1 1 21 21 G H4' H 1 4.414 0.02 . 1 . . . A 21 G H4' . 18515 1 157 . 1 1 21 21 G H5' H 1 4.292 0.02 . 1 . . . A 21 G H5' . 18515 1 158 . 1 1 21 21 G H5'' H 1 4.528 0.02 . 1 . . . A 21 G H5'' . 18515 1 159 . 1 1 21 21 G H8 H 1 8.356 0.02 . 1 . . . A 21 G H8 . 18515 1 160 . 1 1 21 21 G H21 H 1 8.849 0.02 . 1 . . . A 21 G H21 . 18515 1 161 . 1 1 21 21 G H22 H 1 6.719 0.02 . 1 . . . A 21 G H22 . 18515 1 162 . 1 1 21 21 G HO2' H 1 6.899 0.02 . 1 . . . A 21 G HO2' . 18515 1 163 . 1 1 22 22 U H1' H 1 5.608 0.02 . 1 . . . A 22 U H1' . 18515 1 164 . 1 1 22 22 U H2' H 1 4.592 0.02 . 1 . . . A 22 U H2' . 18515 1 165 . 1 1 22 22 U H3 H 1 14.455 0.02 . 1 . . . A 22 U H3 . 18515 1 166 . 1 1 22 22 U H3' H 1 4.592 0.02 . 1 . . . A 22 U H3' . 18515 1 167 . 1 1 22 22 U H5 H 1 5.134 0.02 . 1 . . . A 22 U H5 . 18515 1 168 . 1 1 22 22 U H5' H 1 4.520 0.02 . 1 . . . A 22 U H5' . 18515 1 169 . 1 1 22 22 U H5'' H 1 4.064 0.02 . 1 . . . A 22 U H5'' . 18515 1 170 . 1 1 22 22 U H6 H 1 7.873 0.02 . 1 . . . A 22 U H6 . 18515 1 171 . 1 1 23 23 C H1' H 1 5.606 0.02 . 1 . . . A 23 C H1' . 18515 1 172 . 1 1 23 23 C H2' H 1 4.434 0.02 . 1 . . . A 23 C H2' . 18515 1 173 . 1 1 23 23 C H3' H 1 4.464 0.02 . 1 . . . A 23 C H3' . 18515 1 174 . 1 1 23 23 C H5 H 1 5.707 0.02 . 1 . . . A 23 C H5 . 18515 1 175 . 1 1 23 23 C H6 H 1 7.903 0.02 . 1 . . . A 23 C H6 . 18515 1 176 . 1 1 23 23 C H41 H 1 8.590 0.02 . 1 . . . A 23 C H41 . 18515 1 177 . 1 1 23 23 C H42 H 1 7.091 0.02 . 1 . . . A 23 C H42 . 18515 1 178 . 1 1 24 24 C H1' H 1 5.444 0.02 . 1 . . . A 24 C H1' . 18515 1 179 . 1 1 24 24 C H2' H 1 4.363 0.02 . 1 . . . A 24 C H2' . 18515 1 180 . 1 1 24 24 C H3' H 1 4.450 0.02 . 1 . . . A 24 C H3' . 18515 1 181 . 1 1 24 24 C H5 H 1 5.540 0.02 . 1 . . . A 24 C H5 . 18515 1 182 . 1 1 24 24 C H6 H 1 7.802 0.02 . 1 . . . A 24 C H6 . 18515 1 183 . 1 1 24 24 C H41 H 1 8.485 0.02 . 1 . . . A 24 C H41 . 18515 1 184 . 1 1 24 24 C H42 H 1 6.964 0.02 . 1 . . . A 24 C H42 . 18515 1 185 . 1 1 24 24 C HO2' H 1 6.750 0.02 . 1 . . . A 24 C HO2' . 18515 1 186 . 1 1 25 25 U H1' H 1 5.502 0.02 . 1 . . . A 25 U H1' . 18515 1 187 . 1 1 25 25 U H2' H 1 4.456 0.02 . 1 . . . A 25 U H2' . 18515 1 188 . 1 1 25 25 U H3 H 1 13.975 0.02 . 1 . . . A 25 U H3 . 18515 1 189 . 1 1 25 25 U H3' H 1 4.523 0.02 . 1 . . . A 25 U H3' . 18515 1 190 . 1 1 25 25 U H5 H 1 5.385 0.02 . 1 . . . A 25 U H5 . 18515 1 191 . 1 1 25 25 U H6 H 1 7.906 0.02 . 1 . . . A 25 U H6 . 18515 1 192 . 1 1 26 26 C H1' H 1 5.492 0.02 . 1 . . . A 26 C H1' . 18515 1 193 . 1 1 26 26 C H2' H 1 4.342 0.02 . 1 . . . A 26 C H2' . 18515 1 194 . 1 1 26 26 C H3' H 1 4.482 0.02 . 1 . . . A 26 C H3' . 18515 1 195 . 1 1 26 26 C H4' H 1 4.408 0.02 . 1 . . . A 26 C H4' . 18515 1 196 . 1 1 26 26 C H5 H 1 5.605 0.02 . 1 . . . A 26 C H5 . 18515 1 197 . 1 1 26 26 C H6 H 1 7.759 0.02 . 1 . . . A 26 C H6 . 18515 1 198 . 1 1 26 26 C H41 H 1 7.986 0.02 . 1 . . . A 26 C H41 . 18515 1 199 . 1 1 26 26 C H42 H 1 6.963 0.02 . 1 . . . A 26 C H42 . 18515 1 200 . 1 1 27 27 A H1' H 1 5.752 0.02 . 1 . . . A 27 A H1' . 18515 1 201 . 1 1 27 27 A H2 H 1 6.799 0.02 . 1 . . . A 27 A H2 . 18515 1 202 . 1 1 27 27 A H2' H 1 4.288 0.02 . 1 . . . A 27 A H2' . 18515 1 203 . 1 1 27 27 A H8 H 1 7.943 0.02 . 1 . . . A 27 A H8 . 18515 1 204 . 1 1 28 28 A H1' H 1 5.825 0.02 . 1 . . . A 28 A H1' . 18515 1 205 . 1 1 28 28 A H2 H 1 8.003 0.02 . 1 . . . A 28 A H2 . 18515 1 206 . 1 1 28 28 A H2' H 1 4.572 0.02 . 1 . . . A 28 A H2' . 18515 1 207 . 1 1 28 28 A H3' H 1 4.744 0.02 . 1 . . . A 28 A H3' . 18515 1 208 . 1 1 28 28 A H8 H 1 8.088 0.02 . 1 . . . A 28 A H8 . 18515 1 209 . 1 1 29 29 G H1 H 1 13.011 0.02 . 1 . . . A 29 G H1 . 18515 1 210 . 1 1 29 29 G H1' H 1 5.518 0.02 . 1 . . . A 29 G H1' . 18515 1 211 . 1 1 29 29 G H2' H 1 4.735 0.02 . 1 . . . A 29 G H2' . 18515 1 212 . 1 1 29 29 G H3' H 1 4.546 0.02 . 1 . . . A 29 G H3' . 18515 1 213 . 1 1 29 29 G H5'' H 1 4.229 0.02 . 1 . . . A 29 G H5'' . 18515 1 214 . 1 1 29 29 G H8 H 1 7.938 0.02 . 1 . . . A 29 G H8 . 18515 1 215 . 1 1 29 29 G H21 H 1 8.610 0.02 . 1 . . . A 29 G H21 . 18515 1 216 . 1 1 29 29 G H22 H 1 6.418 0.02 . 1 . . . A 29 G H22 . 18515 1 217 . 1 1 30 30 U H1' H 1 5.677 0.02 . 1 . . . A 30 U H1' . 18515 1 218 . 1 1 30 30 U H2' H 1 4.599 0.02 . 1 . . . A 30 U H2' . 18515 1 219 . 1 1 30 30 U H3 H 1 14.217 0.02 . 1 . . . A 30 U H3 . 18515 1 220 . 1 1 30 30 U H3' H 1 4.526 0.02 . 1 . . . A 30 U H3' . 18515 1 221 . 1 1 30 30 U H5 H 1 5.118 0.02 . 1 . . . A 30 U H5 . 18515 1 222 . 1 1 30 30 U H6 H 1 7.832 0.02 . 1 . . . A 30 U H6 . 18515 1 223 . 1 1 31 31 U H1' H 1 5.696 0.02 . 1 . . . A 31 U H1' . 18515 1 224 . 1 1 31 31 U H2' H 1 4.483 0.02 . 1 . . . A 31 U H2' . 18515 1 225 . 1 1 31 31 U H3 H 1 13.914 0.02 . 1 . . . A 31 U H3 . 18515 1 226 . 1 1 31 31 U H3' H 1 4.539 0.02 . 1 . . . A 31 U H3' . 18515 1 227 . 1 1 31 31 U H5 H 1 5.594 0.02 . 1 . . . A 31 U H5 . 18515 1 228 . 1 1 31 31 U H6 H 1 8.072 0.02 . 1 . . . A 31 U H6 . 18515 1 229 . 1 1 32 32 U H1' H 1 5.619 0.02 . 1 . . . A 32 U H1' . 18515 1 230 . 1 1 32 32 U H2' H 1 4.421 0.02 . 1 . . . A 32 U H2' . 18515 1 231 . 1 1 32 32 U H3 H 1 13.736 0.02 . 1 . . . A 32 U H3 . 18515 1 232 . 1 1 32 32 U H3' H 1 4.484 0.02 . 1 . . . A 32 U H3' . 18515 1 233 . 1 1 32 32 U H5 H 1 5.595 0.02 . 1 . . . A 32 U H5 . 18515 1 234 . 1 1 32 32 U H6 H 1 8.049 0.02 . 1 . . . A 32 U H6 . 18515 1 235 . 1 1 33 33 C H1' H 1 5.490 0.02 . 1 . . . A 33 C H1' . 18515 1 236 . 1 1 33 33 C H2' H 1 4.392 0.02 . 1 . . . A 33 C H2' . 18515 1 237 . 1 1 33 33 C H3' H 1 4.595 0.02 . 1 . . . A 33 C H3' . 18515 1 238 . 1 1 33 33 C H5 H 1 5.675 0.02 . 1 . . . A 33 C H5 . 18515 1 239 . 1 1 33 33 C H6 H 1 7.902 0.02 . 1 . . . A 33 C H6 . 18515 1 240 . 1 1 33 33 C H41 H 1 8.366 0.02 . 1 . . . A 33 C H41 . 18515 1 241 . 1 1 33 33 C H42 H 1 7.017 0.02 . 1 . . . A 33 C H42 . 18515 1 242 . 1 1 33 33 C HO2' H 1 6.625 0.02 . 1 . . . A 33 C HO2' . 18515 1 243 . 1 1 34 34 A H1' H 1 5.876 0.02 . 1 . . . A 34 A H1' . 18515 1 244 . 1 1 34 34 A H2 H 1 7.347 0.02 . 1 . . . A 34 A H2 . 18515 1 245 . 1 1 34 34 A H2' H 1 4.513 0.02 . 1 . . . A 34 A H2' . 18515 1 246 . 1 1 34 34 A H3' H 1 4.706 0.02 . 1 . . . A 34 A H3' . 18515 1 247 . 1 1 34 34 A H5'' H 1 4.149 0.02 . 1 . . . A 34 A H5'' . 18515 1 248 . 1 1 34 34 A H8 H 1 8.123 0.02 . 1 . . . A 34 A H8 . 18515 1 249 . 1 1 34 34 A H61 H 1 8.002 0.02 . 1 . . . A 34 A H61 . 18515 1 250 . 1 1 34 34 A H62 H 1 6.385 0.02 . 1 . . . A 34 A H62 . 18515 1 251 . 1 1 35 35 C H1' H 1 5.415 0.02 . 1 . . . A 35 C H1' . 18515 1 252 . 1 1 35 35 C H2' H 1 4.219 0.02 . 1 . . . A 35 C H2' . 18515 1 253 . 1 1 35 35 C H3' H 1 4.397 0.02 . 1 . . . A 35 C H3' . 18515 1 254 . 1 1 35 35 C H5 H 1 5.205 0.02 . 1 . . . A 35 C H5 . 18515 1 255 . 1 1 35 35 C H5'' H 1 4.065 0.02 . 1 . . . A 35 C H5'' . 18515 1 256 . 1 1 35 35 C H6 H 1 7.596 0.02 . 1 . . . A 35 C H6 . 18515 1 257 . 1 1 35 35 C H41 H 1 8.420 0.02 . 1 . . . A 35 C H41 . 18515 1 258 . 1 1 35 35 C H42 H 1 7.029 0.02 . 1 . . . A 35 C H42 . 18515 1 259 . 1 1 35 35 C HO2' H 1 6.860 0.02 . 1 . . . A 35 C HO2' . 18515 1 260 . 1 1 36 36 C H1' H 1 5.514 0.02 . 1 . . . A 36 C H1' . 18515 1 261 . 1 1 36 36 C H2' H 1 4.265 0.02 . 1 . . . A 36 C H2' . 18515 1 262 . 1 1 36 36 C H3' H 1 4.500 0.02 . 1 . . . A 36 C H3' . 18515 1 263 . 1 1 36 36 C H5 H 1 5.432 0.02 . 1 . . . A 36 C H5 . 18515 1 264 . 1 1 36 36 C H6 H 1 7.792 0.02 . 1 . . . A 36 C H6 . 18515 1 265 . 1 1 36 36 C H41 H 1 8.530 0.02 . 1 . . . A 36 C H41 . 18515 1 266 . 1 1 36 36 C H42 H 1 6.926 0.02 . 1 . . . A 36 C H42 . 18515 1 267 . 1 1 36 36 C HO2' H 1 6.871 0.02 . 1 . . . A 36 C HO2' . 18515 1 268 . 1 1 37 37 C H1' H 1 5.772 0.02 . 1 . . . A 37 C H1' . 18515 1 269 . 1 1 37 37 C H2' H 1 4.024 0.02 . 1 . . . A 37 C H2' . 18515 1 270 . 1 1 37 37 C H3' H 1 4.193 0.02 . 1 . . . A 37 C H3' . 18515 1 271 . 1 1 37 37 C H4' H 1 4.184 0.02 . 1 . . . A 37 C H4' . 18515 1 272 . 1 1 37 37 C H5 H 1 5.500 0.02 . 1 . . . A 37 C H5 . 18515 1 273 . 1 1 37 37 C H5' H 1 4.522 0.02 . 1 . . . A 37 C H5' . 18515 1 274 . 1 1 37 37 C H5'' H 1 4.041 0.02 . 1 . . . A 37 C H5'' . 18515 1 275 . 1 1 37 37 C H6 H 1 7.692 0.02 . 1 . . . A 37 C H6 . 18515 1 276 . 1 1 37 37 C H41 H 1 8.340 0.02 . 1 . . . A 37 C H41 . 18515 1 277 . 1 1 37 37 C H42 H 1 7.088 0.02 . 1 . . . A 37 C H42 . 18515 1 stop_ save_