data_51350 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51350 _Entry.Title ; NPSL2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-07 _Entry.Accession_date 2022-03-07 _Entry.Last_release_date 2022-03-07 _Entry.Original_release_date 2022-03-07 _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 Yaping Liu . . . . 51350 2 Sarah Keane . C. . . 51350 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51350 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 39 51350 '1H chemical shifts' 231 51350 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 . . 2022-03-31 . original BMRB . 51350 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51348 'NPSL2 Frag1' 51350 BMRB 51349 'NPSL2 Frag2' 51350 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51350 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of NPSL2, a regulatory element in the oncomiR-1 RNA ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Yaping Liu . . . . 51350 1 2 Aldrex Munsayac . . . . 51350 1 3 Ian Hall . . . . 51350 1 4 Sarah Keane . C. . . 51350 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51350 _Assembly.ID 1 _Assembly.Name NPSL2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 NPSL2 1 $entity_1 . . yes native no no . . . 51350 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51350 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GGGUGUAGAAAAGUAAGGGA AACUCAAACCCCUUUCUACA CCC ; _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 51350 1 2 . G . 51350 1 3 . G . 51350 1 4 . U . 51350 1 5 . G . 51350 1 6 . U . 51350 1 7 . A . 51350 1 8 . G . 51350 1 9 . A . 51350 1 10 . A . 51350 1 11 . A . 51350 1 12 . A . 51350 1 13 . G . 51350 1 14 . U . 51350 1 15 . A . 51350 1 16 . A . 51350 1 17 . G . 51350 1 18 . G . 51350 1 19 . G . 51350 1 20 . A . 51350 1 21 . A . 51350 1 22 . A . 51350 1 23 . C . 51350 1 24 . U . 51350 1 25 . C . 51350 1 26 . A . 51350 1 27 . A . 51350 1 28 . A . 51350 1 29 . C . 51350 1 30 . C . 51350 1 31 . C . 51350 1 32 . C . 51350 1 33 . U . 51350 1 34 . U . 51350 1 35 . U . 51350 1 36 . C . 51350 1 37 . U . 51350 1 38 . A . 51350 1 39 . C . 51350 1 40 . A . 51350 1 41 . C . 51350 1 42 . C . 51350 1 43 . C . 51350 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 51350 1 . G 2 2 51350 1 . G 3 3 51350 1 . U 4 4 51350 1 . G 5 5 51350 1 . U 6 6 51350 1 . A 7 7 51350 1 . G 8 8 51350 1 . A 9 9 51350 1 . A 10 10 51350 1 . A 11 11 51350 1 . A 12 12 51350 1 . G 13 13 51350 1 . U 14 14 51350 1 . A 15 15 51350 1 . A 16 16 51350 1 . G 17 17 51350 1 . G 18 18 51350 1 . G 19 19 51350 1 . A 20 20 51350 1 . A 21 21 51350 1 . A 22 22 51350 1 . C 23 23 51350 1 . U 24 24 51350 1 . C 25 25 51350 1 . A 26 26 51350 1 . A 27 27 51350 1 . A 28 28 51350 1 . C 29 29 51350 1 . C 30 30 51350 1 . C 31 31 51350 1 . C 32 32 51350 1 . U 33 33 51350 1 . U 34 34 51350 1 . U 35 35 51350 1 . C 36 36 51350 1 . U 37 37 51350 1 . A 38 38 51350 1 . C 39 39 51350 1 . A 40 40 51350 1 . C 41 41 51350 1 . C 42 42 51350 1 . C 43 43 51350 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51350 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51350 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51350 _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 $entity_1 . 'In vitro transcription' 'In vitro' . . . . . . . . . . . . . . . 51350 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51350 _Sample.ID 1 _Sample.Name NPSL2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 NPSL2 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 51350 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51350 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51350 _Sample.ID 2 _Sample.Name NPSL2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 NPSL2 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 51350 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51350 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 51350 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 51350 1 pH 7.5 . pH 51350 1 pressure 1 . atm 51350 1 temperature 288 . K 51350 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51350 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51350 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51350 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51350 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51350 _Software.ID 3 _Software.Type . _Software.Name 'NMRFx Analyst' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51350 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51350 _Software.ID 4 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51350 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51350 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51350 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51350 _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-13C HSQC' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51350 1 2 '2D 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51350 1 3 '2D 1H-1H TOCSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51350 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-13C HSQC' NPSL2_HSQC.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' A2rGrCr_NPSL2_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' A2rUr_NPSL2_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' A8CH_NPSL2_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' A8U6r_NPSL2_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' AHCH_NPSL2_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' AHG8_NPSL2_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' GH_NPSL2_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' NPSL2_H2O_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 2 '2D 1H-1H NOESY' NPSL2_NOESY.zip . 'Time-domain (raw spectral data)' . . 51350 1 3 '2D 1H-1H TOCSY' NPSL2_TOCSY.zip . 'Time-domain (raw spectral data)' . . 51350 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51350 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'NPSL2 reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.703 na indirect . . . . . . 51350 1 H 1 water protons . . . . ppm 4.703 internal direct 1 . . . . . 51350 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51350 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NPSL2 _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 $chem_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' . . . 51350 1 2 '2D 1H-1H NOESY' . . . 51350 1 3 '2D 1H-1H TOCSY' . . . 51350 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51350 1 2 $software_2 . . 51350 1 3 $software_3 . . 51350 1 4 $software_4 . . 51350 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 12.8682 0.0000 . 1 . . . . . 1 G H1 . 51350 1 2 . 1 . 1 1 1 G H1' H 1 5.8201 0.0000 . 1 . . . . . 1 G H1' . 51350 1 3 . 1 . 1 1 1 G H2' H 1 4.9327 0.0000 . 1 . . . . . 1 G H2' . 51350 1 4 . 1 . 1 1 1 G H3' H 1 4.7483 0.0000 . 1 . . . . . 1 G H3' . 51350 1 5 . 1 . 1 1 1 G H8 H 1 8.1706 0.0000 . 1 . . . . . 1 G H8 . 51350 1 6 . 1 . 1 1 1 G C8 C 13 139.7711 0.0000 . 1 . . . . . 1 G C8 . 51350 1 7 . 1 . 1 2 2 G H1 H 1 12.8694 0.0000 . 1 . . . . . 2 G H1 . 51350 1 8 . 1 . 1 2 2 G H1' H 1 5.9428 0.0000 . 1 . . . . . 2 G H1' . 51350 1 9 . 1 . 1 2 2 G H2' H 1 4.7340 0.0000 . 1 . . . . . 2 G H2' . 51350 1 10 . 1 . 1 2 2 G H3' H 1 4.5698 0.0000 . 1 . . . . . 2 G H3' . 51350 1 11 . 1 . 1 2 2 G H8 H 1 7.5468 0.0000 . 1 . . . . . 2 G H8 . 51350 1 12 . 1 . 1 2 2 G C8 C 13 137.0324 0.0000 . 1 . . . . . 2 G C8 . 51350 1 13 . 1 . 1 3 3 G H1 H 1 13.1921 0.0000 . 1 . . . . . 3 G H1 . 51350 1 14 . 1 . 1 3 3 G H1' H 1 5.7890 0.0000 . 1 . . . . . 3 G H1' . 51350 1 15 . 1 . 1 3 3 G H2' H 1 4.5064 0.0000 . 1 . . . . . 3 G H2' . 51350 1 16 . 1 . 1 3 3 G H3' H 1 4.4566 0.0000 . 1 . . . . . 3 G H3' . 51350 1 17 . 1 . 1 3 3 G H8 H 1 7.1870 0.0000 . 1 . . . . . 3 G H8 . 51350 1 18 . 1 . 1 3 3 G H21 H 1 8.3893 0.0000 . 2 . . . . . 3 G H21 . 51350 1 19 . 1 . 1 3 3 G C8 C 13 136.4316 0.0000 . 1 . . . . . 3 G C8 . 51350 1 20 . 1 . 1 4 4 U H1' H 1 5.5546 0.0000 . 1 . . . . . 4 U H1' . 51350 1 21 . 1 . 1 4 4 U H2' H 1 4.7315 0.0000 . 1 . . . . . 4 U H2' . 51350 1 22 . 1 . 1 4 4 U H3 H 1 13.6545 0.0000 . 1 . . . . . 4 U H3 . 51350 1 23 . 1 . 1 4 4 U H3' H 1 4.5051 0.0000 . 1 . . . . . 4 U H3' . 51350 1 24 . 1 . 1 4 4 U H5 H 1 5.0894 0.0000 . 1 . . . . . 4 U H5 . 51350 1 25 . 1 . 1 4 4 U H6 H 1 7.6708 0.0000 . 1 . . . . . 4 U H6 . 51350 1 26 . 1 . 1 5 5 G H1 H 1 12.5140 0.0000 . 1 . . . . . 5 G H1 . 51350 1 27 . 1 . 1 5 5 G H1' H 1 5.7506 0.0000 . 1 . . . . . 5 G H1' . 51350 1 28 . 1 . 1 5 5 G H2' H 1 4.4945 0.0000 . 1 . . . . . 5 G H2' . 51350 1 29 . 1 . 1 5 5 G H3' H 1 4.4730 0.0000 . 1 . . . . . 5 G H3' . 51350 1 30 . 1 . 1 5 5 G H8 H 1 7.6635 0.0000 . 1 . . . . . 5 G H8 . 51350 1 31 . 1 . 1 5 5 G H21 H 1 8.2794 0.0000 . 2 . . . . . 5 G H21 . 51350 1 32 . 1 . 1 5 5 G C8 C 13 136.6135 0.0000 . 1 . . . . . 5 G C8 . 51350 1 33 . 1 . 1 6 6 U H1' H 1 5.4118 0.0000 . 1 . . . . . 6 U H1' . 51350 1 34 . 1 . 1 6 6 U H2' H 1 4.4970 0.0000 . 1 . . . . . 6 U H2' . 51350 1 35 . 1 . 1 6 6 U H3 H 1 13.3750 0.0000 . 1 . . . . . 6 U H3 . 51350 1 36 . 1 . 1 6 6 U H3' H 1 4.5197 0.0000 . 1 . . . . . 6 U H3' . 51350 1 37 . 1 . 1 6 6 U H5 H 1 5.0936 0.0000 . 1 . . . . . 6 U H5 . 51350 1 38 . 1 . 1 6 6 U H6 H 1 7.7363 0.0000 . 1 . . . . . 6 U H6 . 51350 1 39 . 1 . 1 7 7 A H1' H 1 5.9165 0.0000 . 1 . . . . . 7 A H1' . 51350 1 40 . 1 . 1 7 7 A H2 H 1 6.6030 0.0000 . 1 . . . . . 7 A H2 . 51350 1 41 . 1 . 1 7 7 A H2' H 1 4.6122 0.0000 . 1 . . . . . 7 A H2' . 51350 1 42 . 1 . 1 7 7 A H3' H 1 4.6826 0.0000 . 1 . . . . . 7 A H3' . 51350 1 43 . 1 . 1 7 7 A H8 H 1 8.0304 0.0000 . 1 . . . . . 7 A H8 . 51350 1 44 . 1 . 1 7 7 A C2 C 13 152.6349 0.0000 . 1 . . . . . 7 A C2 . 51350 1 45 . 1 . 1 7 7 A C8 C 13 139.7860 0.0000 . 1 . . . . . 7 A C8 . 51350 1 46 . 1 . 1 8 8 G H1 H 1 12.3574 0.0000 . 1 . . . . . 8 G H1 . 51350 1 47 . 1 . 1 8 8 G H1' H 1 5.4497 0.0000 . 1 . . . . . 8 G H1' . 51350 1 48 . 1 . 1 8 8 G H2' H 1 4.5153 0.0000 . 1 . . . . . 8 G H2' . 51350 1 49 . 1 . 1 8 8 G H3' H 1 4.4200 0.0000 . 1 . . . . . 8 G H3' . 51350 1 50 . 1 . 1 8 8 G H8 H 1 7.0994 0.0000 . 1 . . . . . 8 G H8 . 51350 1 51 . 1 . 1 8 8 G C8 C 13 136.0648 0.0000 . 1 . . . . . 8 G C8 . 51350 1 52 . 1 . 1 9 9 A H1' H 1 5.7895 0.0000 . 1 . . . . . 9 A H1' . 51350 1 53 . 1 . 1 9 9 A H2 H 1 7.1678 0.0000 . 1 . . . . . 9 A H2 . 51350 1 54 . 1 . 1 9 9 A H2' H 1 4.5740 0.0000 . 1 . . . . . 9 A H2' . 51350 1 55 . 1 . 1 9 9 A H3' H 1 4.4923 0.0000 . 1 . . . . . 9 A H3' . 51350 1 56 . 1 . 1 9 9 A H8 H 1 7.5700 0.0000 . 1 . . . . . 9 A H8 . 51350 1 57 . 1 . 1 9 9 A C2 C 13 153.3159 0.0000 . 1 . . . . . 9 A C2 . 51350 1 58 . 1 . 1 9 9 A C8 C 13 139.4498 0.0000 . 1 . . . . . 9 A C8 . 51350 1 59 . 1 . 1 10 10 A H1' H 1 5.6144 0.0000 . 1 . . . . . 10 A H1' . 51350 1 60 . 1 . 1 10 10 A H2 H 1 7.2655 0.0000 . 1 . . . . . 10 A H2 . 51350 1 61 . 1 . 1 10 10 A H2' H 1 4.5406 0.0000 . 1 . . . . . 10 A H2' . 51350 1 62 . 1 . 1 10 10 A H3' H 1 4.4757 0.0000 . 1 . . . . . 10 A H3' . 51350 1 63 . 1 . 1 10 10 A H8 H 1 7.4216 0.0000 . 1 . . . . . 10 A H8 . 51350 1 64 . 1 . 1 10 10 A C2 C 13 153.4804 0.0000 . 1 . . . . . 10 A C2 . 51350 1 65 . 1 . 1 10 10 A C8 C 13 139.3458 0.0000 . 1 . . . . . 10 A C8 . 51350 1 66 . 1 . 1 11 11 A H1' H 1 5.4629 0.0000 . 1 . . . . . 11 A H1' . 51350 1 67 . 1 . 1 11 11 A H2 H 1 7.4282 0.0000 . 1 . . . . . 11 A H2 . 51350 1 68 . 1 . 1 11 11 A H2' H 1 4.4765 0.0000 . 1 . . . . . 11 A H2' . 51350 1 69 . 1 . 1 11 11 A H3' H 1 4.3954 0.0000 . 1 . . . . . 11 A H3' . 51350 1 70 . 1 . 1 11 11 A H8 H 1 7.4430 0.0000 . 1 . . . . . 11 A H8 . 51350 1 71 . 1 . 1 11 11 A C2 C 13 154.2613 0.0000 . 1 . . . . . 11 A C2 . 51350 1 72 . 1 . 1 11 11 A C8 C 13 139.5233 0.0000 . 1 . . . . . 11 A C8 . 51350 1 73 . 1 . 1 12 12 A H1' H 1 5.4874 0.0000 . 1 . . . . . 12 A H1' . 51350 1 74 . 1 . 1 12 12 A H2 H 1 7.7531 0.0000 . 1 . . . . . 12 A H2 . 51350 1 75 . 1 . 1 12 12 A H2' H 1 4.4554 0.0000 . 1 . . . . . 12 A H2' . 51350 1 76 . 1 . 1 12 12 A H3' H 1 4.5579 0.0000 . 1 . . . . . 12 A H3' . 51350 1 77 . 1 . 1 12 12 A H8 H 1 7.6561 0.0000 . 1 . . . . . 12 A H8 . 51350 1 78 . 1 . 1 12 12 A C2 C 13 155.1695 0.0000 . 1 . . . . . 12 A C2 . 51350 1 79 . 1 . 1 12 12 A C8 C 13 139.3922 0.0000 . 1 . . . . . 12 A C8 . 51350 1 80 . 1 . 1 13 13 G H1 H 1 12.3499 0.0000 . 1 . . . . . 13 G H1 . 51350 1 81 . 1 . 1 13 13 G H1' H 1 5.3128 0.0000 . 1 . . . . . 13 G H1' . 51350 1 82 . 1 . 1 13 13 G H2' H 1 4.5697 0.0000 . 1 . . . . . 13 G H2' . 51350 1 83 . 1 . 1 13 13 G H3' H 1 4.4584 0.0000 . 1 . . . . . 13 G H3' . 51350 1 84 . 1 . 1 13 13 G H8 H 1 7.4895 0.0000 . 1 . . . . . 13 G H8 . 51350 1 85 . 1 . 1 13 13 G C8 C 13 139.4729 0.0000 . 1 . . . . . 13 G C8 . 51350 1 86 . 1 . 1 14 14 U H1' H 1 5.8076 0.0000 . 1 . . . . . 14 U H1' . 51350 1 87 . 1 . 1 14 14 U H2' H 1 4.2783 0.0000 . 1 . . . . . 14 U H2' . 51350 1 88 . 1 . 1 14 14 U H3 H 1 13.1732 0.0000 . 1 . . . . . 14 U H3 . 51350 1 89 . 1 . 1 14 14 U H3' H 1 4.7290 0.0000 . 1 . . . . . 14 U H3' . 51350 1 90 . 1 . 1 14 14 U H5 H 1 5.5696 0.0000 . 1 . . . . . 14 U H5 . 51350 1 91 . 1 . 1 14 14 U H6 H 1 7.5756 0.0000 . 1 . . . . . 14 U H6 . 51350 1 92 . 1 . 1 15 15 A H1' H 1 5.7617 0.0000 . 1 . . . . . 15 A H1' . 51350 1 93 . 1 . 1 15 15 A H2 H 1 7.5218 0.0000 . 1 . . . . . 15 A H2 . 51350 1 94 . 1 . 1 15 15 A H2' H 1 4.7126 0.0000 . 1 . . . . . 15 A H2' . 51350 1 95 . 1 . 1 15 15 A H3' H 1 4.6569 0.0000 . 1 . . . . . 15 A H3' . 51350 1 96 . 1 . 1 15 15 A H8 H 1 8.1921 0.0000 . 1 . . . . . 15 A H8 . 51350 1 97 . 1 . 1 15 15 A C2 C 13 154.1749 0.0000 . 1 . . . . . 15 A C2 . 51350 1 98 . 1 . 1 15 15 A C8 C 13 141.2467 0.0000 . 1 . . . . . 15 A C8 . 51350 1 99 . 1 . 1 16 16 A H1' H 1 5.8275 0.0000 . 1 . . . . . 16 A H1' . 51350 1 100 . 1 . 1 16 16 A H2 H 1 7.7487 0.0000 . 1 . . . . . 16 A H2 . 51350 1 101 . 1 . 1 16 16 A H2' H 1 4.6842 0.0000 . 1 . . . . . 16 A H2' . 51350 1 102 . 1 . 1 16 16 A H3' H 1 4.5449 0.0000 . 1 . . . . . 16 A H3' . 51350 1 103 . 1 . 1 16 16 A H8 H 1 8.0233 0.0000 . 1 . . . . . 16 A H8 . 51350 1 104 . 1 . 1 16 16 A C2 C 13 154.0673 0.0000 . 1 . . . . . 16 A C2 . 51350 1 105 . 1 . 1 16 16 A C8 C 13 139.7686 0.0000 . 1 . . . . . 16 A C8 . 51350 1 106 . 1 . 1 17 17 G H1 H 1 12.7742 0.0000 . 1 . . . . . 17 G H1 . 51350 1 107 . 1 . 1 17 17 G H1' H 1 5.6098 0.0000 . 1 . . . . . 17 G H1' . 51350 1 108 . 1 . 1 17 17 G H2' H 1 4.5357 0.0000 . 1 . . . . . 17 G H2' . 51350 1 109 . 1 . 1 17 17 G H3' H 1 4.4549 0.0000 . 1 . . . . . 17 G H3' . 51350 1 110 . 1 . 1 17 17 G H8 H 1 7.2622 0.0000 . 1 . . . . . 17 G H8 . 51350 1 111 . 1 . 1 17 17 G C8 C 13 136.1479 0.0000 . 1 . . . . . 17 G C8 . 51350 1 112 . 1 . 1 18 18 G H1 H 1 12.6742 0.0000 . 1 . . . . . 18 G H1 . 51350 1 113 . 1 . 1 18 18 G H1' H 1 5.7476 0.0000 . 1 . . . . . 18 G H1' . 51350 1 114 . 1 . 1 18 18 G H2' H 1 4.5466 0.0000 . 1 . . . . . 18 G H2' . 51350 1 115 . 1 . 1 18 18 G H3' H 1 4.4556 0.0000 . 1 . . . . . 18 G H3' . 51350 1 116 . 1 . 1 18 18 G H8 H 1 7.1190 0.0000 . 1 . . . . . 18 G H8 . 51350 1 117 . 1 . 1 18 18 G C8 C 13 136.0686 0.0000 . 1 . . . . . 18 G C8 . 51350 1 118 . 1 . 1 19 19 G H1 H 1 12.4378 0.0000 . 1 . . . . . 19 G H1 . 51350 1 119 . 1 . 1 19 19 G H1' H 1 5.6885 0.0000 . 1 . . . . . 19 G H1' . 51350 1 120 . 1 . 1 19 19 G H2' H 1 4.4297 0.0000 . 1 . . . . . 19 G H2' . 51350 1 121 . 1 . 1 19 19 G H3' H 1 4.5695 0.0000 . 1 . . . . . 19 G H3' . 51350 1 122 . 1 . 1 19 19 G H8 H 1 7.0021 0.0000 . 1 . . . . . 19 G H8 . 51350 1 123 . 1 . 1 19 19 G C8 C 13 136.3148 0.0000 . 1 . . . . . 19 G C8 . 51350 1 124 . 1 . 1 20 20 A H1' H 1 5.8052 0.0000 . 1 . . . . . 20 A H1' . 51350 1 125 . 1 . 1 20 20 A H2 H 1 8.0420 0.0000 . 1 . . . . . 20 A H2 . 51350 1 126 . 1 . 1 20 20 A H2' H 1 4.5572 0.0000 . 1 . . . . . 20 A H2' . 51350 1 127 . 1 . 1 20 20 A H3' H 1 4.6128 0.0000 . 1 . . . . . 20 A H3' . 51350 1 128 . 1 . 1 20 20 A H8 H 1 7.6702 0.0000 . 1 . . . . . 20 A H8 . 51350 1 129 . 1 . 1 20 20 A C2 C 13 155.3540 0.0000 . 1 . . . . . 20 A C2 . 51350 1 130 . 1 . 1 20 20 A C8 C 13 140.2054 0.0000 . 1 . . . . . 20 A C8 . 51350 1 131 . 1 . 1 21 21 A H1' H 1 5.8037 0.0000 . 1 . . . . . 21 A H1' . 51350 1 132 . 1 . 1 21 21 A H2 H 1 7.8634 0.0000 . 1 . . . . . 21 A H2 . 51350 1 133 . 1 . 1 21 21 A H2' H 1 4.6069 0.0000 . 1 . . . . . 21 A H2' . 51350 1 134 . 1 . 1 21 21 A H3' H 1 4.5566 0.0000 . 1 . . . . . 21 A H3' . 51350 1 135 . 1 . 1 21 21 A H8 H 1 7.8105 0.0000 . 1 . . . . . 21 A H8 . 51350 1 136 . 1 . 1 21 21 A C2 C 13 155.0331 0.0000 . 1 . . . . . 21 A C2 . 51350 1 137 . 1 . 1 21 21 A C8 C 13 139.9531 0.0000 . 1 . . . . . 21 A C8 . 51350 1 138 . 1 . 1 22 22 A H1' H 1 5.8112 0.0000 . 1 . . . . . 22 A H1' . 51350 1 139 . 1 . 1 22 22 A H2 H 1 8.0504 0.0000 . 1 . . . . . 22 A H2 . 51350 1 140 . 1 . 1 22 22 A H2' H 1 4.4284 0.0000 . 1 . . . . . 22 A H2' . 51350 1 141 . 1 . 1 22 22 A H3' H 1 4.4840 0.0000 . 1 . . . . . 22 A H3' . 51350 1 142 . 1 . 1 22 22 A H8 H 1 7.9490 0.0000 . 1 . . . . . 22 A H8 . 51350 1 143 . 1 . 1 22 22 A C2 C 13 155.3845 0.0000 . 1 . . . . . 22 A C2 . 51350 1 144 . 1 . 1 22 22 A C8 C 13 140.3221 0.0000 . 1 . . . . . 22 A C8 . 51350 1 145 . 1 . 1 23 23 C H1' H 1 5.6386 0.0000 . 1 . . . . . 23 C H1' . 51350 1 146 . 1 . 1 23 23 C H2' H 1 4.1723 0.0000 . 1 . . . . . 23 C H2' . 51350 1 147 . 1 . 1 23 23 C H3' H 1 4.2737 0.0000 . 1 . . . . . 23 C H3' . 51350 1 148 . 1 . 1 23 23 C H5 H 1 5.5371 0.0000 . 1 . . . . . 23 C H5 . 51350 1 149 . 1 . 1 23 23 C H6 H 1 7.5716 0.0000 . 1 . . . . . 23 C H6 . 51350 1 150 . 1 . 1 24 24 U H1' H 1 5.6906 0.0000 . 1 . . . . . 24 U H1' . 51350 1 151 . 1 . 1 24 24 U H2' H 1 4.2799 0.0000 . 1 . . . . . 24 U H2' . 51350 1 152 . 1 . 1 24 24 U H3' H 1 4.4517 0.0000 . 1 . . . . . 24 U H3' . 51350 1 153 . 1 . 1 24 24 U H5 H 1 5.5699 0.0000 . 1 . . . . . 24 U H5 . 51350 1 154 . 1 . 1 24 24 U H6 H 1 7.6797 0.0000 . 1 . . . . . 24 U H6 . 51350 1 155 . 1 . 1 25 25 C H1' H 1 5.6303 0.0000 . 1 . . . . . 25 C H1' . 51350 1 156 . 1 . 1 25 25 C H2' H 1 4.2890 0.0000 . 1 . . . . . 25 C H2' . 51350 1 157 . 1 . 1 25 25 C H3' H 1 4.4640 0.0000 . 1 . . . . . 25 C H3' . 51350 1 158 . 1 . 1 25 25 C H5 H 1 5.6180 0.0000 . 1 . . . . . 25 C H5 . 51350 1 159 . 1 . 1 25 25 C H6 H 1 7.6247 0.0000 . 1 . . . . . 25 C H6 . 51350 1 160 . 1 . 1 26 26 A H1' H 1 5.8285 0.0000 . 1 . . . . . 26 A H1' . 51350 1 161 . 1 . 1 26 26 A H2 H 1 7.6992 0.0000 . 1 . . . . . 26 A H2 . 51350 1 162 . 1 . 1 26 26 A H2' H 1 4.7341 0.0000 . 1 . . . . . 26 A H2' . 51350 1 163 . 1 . 1 26 26 A H3' H 1 4.4827 0.0000 . 1 . . . . . 26 A H3' . 51350 1 164 . 1 . 1 26 26 A H8 H 1 8.1761 0.0000 . 1 . . . . . 26 A H8 . 51350 1 165 . 1 . 1 26 26 A C2 C 13 154.7352 0.0000 . 1 . . . . . 26 A C2 . 51350 1 166 . 1 . 1 26 26 A C8 C 13 141.2077 0.0000 . 1 . . . . . 26 A C8 . 51350 1 167 . 1 . 1 27 27 A H1' H 1 5.7032 0.0000 . 1 . . . . . 27 A H1' . 51350 1 168 . 1 . 1 27 27 A H2 H 1 7.7440 0.0000 . 1 . . . . . 27 A H2 . 51350 1 169 . 1 . 1 27 27 A H2' H 1 4.5575 0.0000 . 1 . . . . . 27 A H2' . 51350 1 170 . 1 . 1 27 27 A H3' H 1 4.6659 0.0000 . 1 . . . . . 27 A H3' . 51350 1 171 . 1 . 1 27 27 A H8 H 1 7.9663 0.0000 . 1 . . . . . 27 A H8 . 51350 1 172 . 1 . 1 27 27 A C2 C 13 154.7270 0.0000 . 1 . . . . . 27 A C2 . 51350 1 173 . 1 . 1 27 27 A C8 C 13 140.5239 0.0000 . 1 . . . . . 27 A C8 . 51350 1 174 . 1 . 1 28 28 A H1' H 1 5.7463 0.0000 . 1 . . . . . 28 A H1' . 51350 1 175 . 1 . 1 28 28 A H2 H 1 8.0397 0.0000 . 1 . . . . . 28 A H2 . 51350 1 176 . 1 . 1 28 28 A H2' H 1 4.4823 0.0000 . 1 . . . . . 28 A H2' . 51350 1 177 . 1 . 1 28 28 A H3' H 1 4.5432 0.0000 . 1 . . . . . 28 A H3' . 51350 1 178 . 1 . 1 28 28 A H8 H 1 7.9472 0.0000 . 1 . . . . . 28 A H8 . 51350 1 179 . 1 . 1 28 28 A C2 C 13 155.2956 0.0000 . 1 . . . . . 28 A C2 . 51350 1 180 . 1 . 1 28 28 A C8 C 13 140.3165 0.0000 . 1 . . . . . 28 A C8 . 51350 1 181 . 1 . 1 29 29 C H1' H 1 5.5835 0.0000 . 1 . . . . . 29 C H1' . 51350 1 182 . 1 . 1 29 29 C H2' H 1 4.2689 0.0000 . 1 . . . . . 29 C H2' . 51350 1 183 . 1 . 1 29 29 C H3' H 1 4.4195 0.0000 . 1 . . . . . 29 C H3' . 51350 1 184 . 1 . 1 29 29 C H5 H 1 5.4241 0.0000 . 1 . . . . . 29 C H5 . 51350 1 185 . 1 . 1 29 29 C H6 H 1 7.4903 0.0000 . 1 . . . . . 29 C H6 . 51350 1 186 . 1 . 1 30 30 C H1' H 1 5.6319 0.0000 . 1 . . . . . 30 C H1' . 51350 1 187 . 1 . 1 30 30 C H2' H 1 4.3154 0.0000 . 1 . . . . . 30 C H2' . 51350 1 188 . 1 . 1 30 30 C H3' H 1 4.5475 0.0000 . 1 . . . . . 30 C H3' . 51350 1 189 . 1 . 1 30 30 C H5 H 1 5.7564 0.0000 . 1 . . . . . 30 C H5 . 51350 1 190 . 1 . 1 30 30 C H6 H 1 7.8299 0.0000 . 1 . . . . . 30 C H6 . 51350 1 191 . 1 . 1 31 31 C H1' H 1 5.4902 0.0000 . 1 . . . . . 31 C H1' . 51350 1 192 . 1 . 1 31 31 C H2' H 1 4.4343 0.0000 . 1 . . . . . 31 C H2' . 51350 1 193 . 1 . 1 31 31 C H3' H 1 4.4309 0.0000 . 1 . . . . . 31 C H3' . 51350 1 194 . 1 . 1 31 31 C H5 H 1 5.4888 0.0000 . 1 . . . . . 31 C H5 . 51350 1 195 . 1 . 1 31 31 C H6 H 1 7.8536 0.0000 . 1 . . . . . 31 C H6 . 51350 1 196 . 1 . 1 32 32 C H1' H 1 5.4912 0.0000 . 1 . . . . . 32 C H1' . 51350 1 197 . 1 . 1 32 32 C H2' H 1 4.3701 0.0000 . 1 . . . . . 32 C H2' . 51350 1 198 . 1 . 1 32 32 C H3' H 1 4.4717 0.0000 . 1 . . . . . 32 C H3' . 51350 1 199 . 1 . 1 32 32 C H5 H 1 5.4884 0.0000 . 1 . . . . . 32 C H5 . 51350 1 200 . 1 . 1 32 32 C H6 H 1 7.7802 0.0000 . 1 . . . . . 32 C H6 . 51350 1 201 . 1 . 1 33 33 U H1' H 1 5.8000 0.0000 . 1 . . . . . 33 U H1' . 51350 1 202 . 1 . 1 33 33 U H2' H 1 4.3838 0.0000 . 1 . . . . . 33 U H2' . 51350 1 203 . 1 . 1 33 33 U H3' H 1 4.5466 0.0000 . 1 . . . . . 33 U H3' . 51350 1 204 . 1 . 1 33 33 U H5 H 1 5.5391 0.0000 . 1 . . . . . 33 U H5 . 51350 1 205 . 1 . 1 33 33 U H6 H 1 7.8809 0.0000 . 1 . . . . . 33 U H6 . 51350 1 206 . 1 . 1 34 34 U H1' H 1 5.7870 0.0000 . 1 . . . . . 34 U H1' . 51350 1 207 . 1 . 1 34 34 U H2' H 1 4.3962 0.0000 . 1 . . . . . 34 U H2' . 51350 1 208 . 1 . 1 34 34 U H3' H 1 4.5659 0.0000 . 1 . . . . . 34 U H3' . 51350 1 209 . 1 . 1 34 34 U H5 H 1 5.7446 0.0000 . 1 . . . . . 34 U H5 . 51350 1 210 . 1 . 1 34 34 U H6 H 1 7.9666 0.0000 . 1 . . . . . 34 U H6 . 51350 1 211 . 1 . 1 35 35 U H1' H 1 5.5843 0.0000 . 1 . . . . . 35 U H1' . 51350 1 212 . 1 . 1 35 35 U H2' H 1 4.5025 0.0000 . 1 . . . . . 35 U H2' . 51350 1 213 . 1 . 1 35 35 U H3' H 1 4.5066 0.0000 . 1 . . . . . 35 U H3' . 51350 1 214 . 1 . 1 35 35 U H5 H 1 5.6741 0.0000 . 1 . . . . . 35 U H5 . 51350 1 215 . 1 . 1 35 35 U H6 H 1 7.9738 0.0000 . 1 . . . . . 35 U H6 . 51350 1 216 . 1 . 1 36 36 C H1' H 1 5.4845 0.0000 . 1 . . . . . 36 C H1' . 51350 1 217 . 1 . 1 36 36 C H2' H 1 4.3072 0.0000 . 1 . . . . . 36 C H2' . 51350 1 218 . 1 . 1 36 36 C H3' H 1 4.5243 0.0000 . 1 . . . . . 36 C H3' . 51350 1 219 . 1 . 1 36 36 C H5 H 1 5.6529 0.0000 . 1 . . . . . 36 C H5 . 51350 1 220 . 1 . 1 36 36 C H6 H 1 7.8527 0.0000 . 1 . . . . . 36 C H6 . 51350 1 221 . 1 . 1 36 36 C H41 H 1 8.2525 0.0000 . 2 . . . . . 36 C H41 . 51350 1 222 . 1 . 1 36 36 C H42 H 1 6.9582 0.0000 . 2 . . . . . 36 C H42 . 51350 1 223 . 1 . 1 37 37 U H1' H 1 5.3815 0.0000 . 1 . . . . . 37 U H1' . 51350 1 224 . 1 . 1 37 37 U H2' H 1 4.4439 0.0000 . 1 . . . . . 37 U H2' . 51350 1 225 . 1 . 1 37 37 U H3 H 1 13.1764 0.0000 . 1 . . . . . 37 U H3 . 51350 1 226 . 1 . 1 37 37 U H3' H 1 4.6012 0.0000 . 1 . . . . . 37 U H3' . 51350 1 227 . 1 . 1 37 37 U H5 H 1 5.3871 0.0000 . 1 . . . . . 37 U H5 . 51350 1 228 . 1 . 1 37 37 U H6 H 1 7.8544 0.0000 . 1 . . . . . 37 U H6 . 51350 1 229 . 1 . 1 38 38 A H1' H 1 5.9345 0.0000 . 1 . . . . . 38 A H1' . 51350 1 230 . 1 . 1 38 38 A H2 H 1 6.9721 0.0000 . 1 . . . . . 38 A H2 . 51350 1 231 . 1 . 1 38 38 A H2' H 1 4.4789 0.0000 . 1 . . . . . 38 A H2' . 51350 1 232 . 1 . 1 38 38 A H3' H 1 4.7224 0.0000 . 1 . . . . . 38 A H3' . 51350 1 233 . 1 . 1 38 38 A H8 H 1 8.1931 0.0000 . 1 . . . . . 38 A H8 . 51350 1 234 . 1 . 1 38 38 A C2 C 13 153.5262 0.0000 . 1 . . . . . 38 A C2 . 51350 1 235 . 1 . 1 38 38 A C8 C 13 140.1170 0.0000 . 1 . . . . . 38 A C8 . 51350 1 236 . 1 . 1 39 39 C H1' H 1 5.3015 0.0000 . 1 . . . . . 39 C H1' . 51350 1 237 . 1 . 1 39 39 C H2' H 1 4.3676 0.0000 . 1 . . . . . 39 C H2' . 51350 1 238 . 1 . 1 39 39 C H3' H 1 4.4792 0.0000 . 1 . . . . . 39 C H3' . 51350 1 239 . 1 . 1 39 39 C H5 H 1 5.1823 0.0000 . 1 . . . . . 39 C H5 . 51350 1 240 . 1 . 1 39 39 C H6 H 1 7.5875 0.0000 . 1 . . . . . 39 C H6 . 51350 1 241 . 1 . 1 40 40 A H1' H 1 5.8771 0.0000 . 1 . . . . . 40 A H1' . 51350 1 242 . 1 . 1 40 40 A H2 H 1 7.4097 0.0000 . 1 . . . . . 40 A H2 . 51350 1 243 . 1 . 1 40 40 A H2' H 1 4.5511 0.0000 . 1 . . . . . 40 A H2' . 51350 1 244 . 1 . 1 40 40 A H3' H 1 4.6885 0.0000 . 1 . . . . . 40 A H3' . 51350 1 245 . 1 . 1 40 40 A H8 H 1 8.0540 0.0000 . 1 . . . . . 40 A H8 . 51350 1 246 . 1 . 1 40 40 A H61 H 1 7.9855 0.0000 . 2 . . . . . 40 A H61 . 51350 1 247 . 1 . 1 40 40 A H62 H 1 6.3089 0.0000 . 2 . . . . . 40 A H62 . 51350 1 248 . 1 . 1 40 40 A C2 C 13 153.8231 0.0000 . 1 . . . . . 40 A C2 . 51350 1 249 . 1 . 1 40 40 A C8 C 13 139.8398 0.0000 . 1 . . . . . 40 A C8 . 51350 1 250 . 1 . 1 41 41 C H1' H 1 5.4043 0.0000 . 1 . . . . . 41 C H1' . 51350 1 251 . 1 . 1 41 41 C H2' H 1 4.1881 0.0000 . 1 . . . . . 41 C H2' . 51350 1 252 . 1 . 1 41 41 C H3' H 1 4.3735 0.0000 . 1 . . . . . 41 C H3' . 51350 1 253 . 1 . 1 41 41 C H5 H 1 5.1853 0.0000 . 1 . . . . . 41 C H5 . 51350 1 254 . 1 . 1 41 41 C H6 H 1 7.5856 0.0000 . 1 . . . . . 41 C H6 . 51350 1 255 . 1 . 1 41 41 C H41 H 1 8.3895 0.0000 . 2 . . . . . 41 C H41 . 51350 1 256 . 1 . 1 41 41 C H42 H 1 6.9253 0.0000 . 2 . . . . . 41 C H42 . 51350 1 257 . 1 . 1 42 42 C H1' H 1 5.4899 0.0000 . 1 . . . . . 42 C H1' . 51350 1 258 . 1 . 1 42 42 C H2' H 1 4.2362 0.0000 . 1 . . . . . 42 C H2' . 51350 1 259 . 1 . 1 42 42 C H3' H 1 4.4719 0.0000 . 1 . . . . . 42 C H3' . 51350 1 260 . 1 . 1 42 42 C H5 H 1 5.4016 0.0000 . 1 . . . . . 42 C H5 . 51350 1 261 . 1 . 1 42 42 C H6 H 1 7.7687 0.0000 . 1 . . . . . 42 C H6 . 51350 1 262 . 1 . 1 42 42 C H41 H 1 8.4908 0.0000 . 2 . . . . . 42 C H41 . 51350 1 263 . 1 . 1 42 42 C H42 H 1 6.8553 0.0000 . 2 . . . . . 42 C H42 . 51350 1 264 . 1 . 1 43 43 C H1' H 1 5.7324 0.0000 . 1 . . . . . 43 C H1' . 51350 1 265 . 1 . 1 43 43 C H2' H 1 3.9951 0.0000 . 1 . . . . . 43 C H2' . 51350 1 266 . 1 . 1 43 43 C H3' H 1 4.1648 0.0000 . 1 . . . . . 43 C H3' . 51350 1 267 . 1 . 1 43 43 C H5 H 1 5.4540 0.0000 . 1 . . . . . 43 C H5 . 51350 1 268 . 1 . 1 43 43 C H6 H 1 7.6607 0.0000 . 1 . . . . . 43 C H6 . 51350 1 269 . 1 . 1 43 43 C H41 H 1 8.3310 0.0000 . 2 . . . . . 43 C H41 . 51350 1 270 . 1 . 1 43 43 C H42 H 1 6.9902 0.0000 . 2 . . . . . 43 C H42 . 51350 1 stop_ save_