data_51348 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51348 _Entry.Title ; NPSL2_Frag1 ; _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 . . . . 51348 2 Sarah Keane . C. . . 51348 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 51348 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 31 51348 '1H chemical shifts' 221 51348 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 . . 2022-06-07 2022-03-07 update author 'add author sequence' 51348 1 . . 2022-03-31 2022-03-07 original author 'original release' 51348 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51349 'NPSL2 Frag2' 51348 BMRB 51350 NPSL2 51348 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51348 _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 . . . . 51348 1 2 Aldrex Munsayac . . . . 51348 1 3 Ian Hall . . . . 51348 1 4 Sarah Keane . C. . . 51348 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51348 _Assembly.ID 1 _Assembly.Name NPSL2_Frag1 _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_Frag1 1 $entity_1 . . yes native no no . . . 51348 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51348 _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 ; GGGUGUAGAAGAGAUUCUAC ACCC ; _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 24 _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 1 G . 51348 1 2 2 G . 51348 1 3 3 G . 51348 1 4 4 U . 51348 1 5 5 G . 51348 1 6 6 U . 51348 1 7 7 A . 51348 1 8 8 G . 51348 1 9 9 A . 51348 1 10 10 A . 51348 1 11 101 G . 51348 1 12 102 A . 51348 1 13 103 G . 51348 1 14 104 A . 51348 1 15 34 U . 51348 1 16 35 U . 51348 1 17 36 C . 51348 1 18 37 U . 51348 1 19 38 A . 51348 1 20 39 C . 51348 1 21 40 A . 51348 1 22 41 C . 51348 1 23 42 C . 51348 1 24 43 C . 51348 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 51348 1 . G 2 2 51348 1 . G 3 3 51348 1 . U 4 4 51348 1 . G 5 5 51348 1 . U 6 6 51348 1 . A 7 7 51348 1 . G 8 8 51348 1 . A 9 9 51348 1 . A 10 10 51348 1 . G 11 11 51348 1 . A 12 12 51348 1 . G 13 13 51348 1 . A 14 14 51348 1 . U 15 15 51348 1 . U 16 16 51348 1 . C 17 17 51348 1 . U 18 18 51348 1 . A 19 19 51348 1 . C 20 20 51348 1 . A 21 21 51348 1 . C 22 22 51348 1 . C 23 23 51348 1 . C 24 24 51348 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 51348 _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 . . . . . . . . . . . . . 51348 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 51348 _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' . . . . . . . . . . . . . . . 51348 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51348 _Sample.ID 1 _Sample.Name NPSL2_Frag1 _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_Frag1 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 51348 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51348 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51348 _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 51348 1 pH 7.5 . pH 51348 1 pressure 1 . atm 51348 1 temperature 298 . K 51348 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 51348 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'condition 2' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 51348 2 pH 7.5 . pH 51348 2 pressure 1 . atm 51348 2 temperature 288 . K 51348 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51348 _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 . 51348 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51348 _Software.ID 2 _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 . 51348 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51348 _Software.ID 3 _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' . 51348 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51348 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51348 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 51348 _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_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51348 _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 HMQC' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51348 1 2 '2D 1H-1H TOCSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51348 1 3 '2D 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51348 1 4 '2D 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51348 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 HMQC' NPSL2_Frag1_HMQC_25_degree.zip . 'Time-domain (raw spectral data)' . . 51348 1 2 '2D 1H-1H TOCSY' NPSL2_Frag1_TOCSY_25_degree.zip . 'Time-domain (raw spectral data)' . . 51348 1 3 '2D 1H-1H NOESY' NPSL2_Frag1_NOESY_25_degree.zip . 'Time-domain (raw spectral data)' . . 51348 1 4 '2D 1H-1H NOESY' NPSL2_Frag1_NOESY_15_degree.zip . 'Time-domain (raw spectral data)' . . 51348 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 51348 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'NPSL2_Frag1 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 4.702 na indirect . . . . . . 51348 1 H 1 water protons . . . . ppm 4.702 internal direct 1 . . . . . 51348 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 51348 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NPSL2_Frag1 _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 HMQC' . . . 51348 1 2 '2D 1H-1H TOCSY' . . . 51348 1 3 '2D 1H-1H NOESY' . . . 51348 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 . . 51348 1 2 $software_2 . . 51348 1 3 $software_3 . . 51348 1 4 $software_4 . . 51348 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.8453 0.0000 . 1 . . . . . 1 G H1' . 51348 1 2 . 1 . 1 1 1 G H2' H 1 4.9398 0.0000 . 1 . . . . . 1 G H2' . 51348 1 3 . 1 . 1 1 1 G H3' H 1 4.7173 0.0000 . 1 . . . . . 1 G H3' . 51348 1 4 . 1 . 1 1 1 G H8 H 1 8.1983 0.0000 . 1 . . . . . 1 G H8 . 51348 1 5 . 1 . 1 1 1 G C8 C 13 139.2510 0.0000 . 1 . . . . . 1 G C8 . 51348 1 6 . 1 . 1 2 2 G H1' H 1 5.9597 0.0000 . 1 . . . . . 2 G H1' . 51348 1 7 . 1 . 1 2 2 G H2' H 1 4.7509 0.0000 . 1 . . . . . 2 G H2' . 51348 1 8 . 1 . 1 2 2 G H3' H 1 4.5698 0.0000 . 1 . . . . . 2 G H3' . 51348 1 9 . 1 . 1 2 2 G H8 H 1 7.6097 0.0000 . 1 . . . . . 2 G H8 . 51348 1 10 . 1 . 1 2 2 G C8 C 13 137.2833 0.0000 . 1 . . . . . 2 G C8 . 51348 1 11 . 1 . 1 3 3 G H1' H 1 5.8077 0.0000 . 1 . . . . . 3 G H1' . 51348 1 12 . 1 . 1 3 3 G H2' H 1 4.5178 0.0000 . 1 . . . . . 3 G H2' . 51348 1 13 . 1 . 1 3 3 G H3' H 1 4.4498 0.0000 . 1 . . . . . 3 G H3' . 51348 1 14 . 1 . 1 3 3 G H8 H 1 7.2433 0.0000 . 1 . . . . . 3 G H8 . 51348 1 15 . 1 . 1 3 3 G C8 C 13 136.2809 0.0000 . 1 . . . . . 3 G C8 . 51348 1 16 . 1 . 1 4 4 U H1' H 1 5.5783 0.0000 . 1 . . . . . 4 U H1' . 51348 1 17 . 1 . 1 4 4 U H2' H 1 4.7540 0.0000 . 1 . . . . . 4 U H2' . 51348 1 18 . 1 . 1 4 4 U H3' H 1 4.5423 0.0000 . 1 . . . . . 4 U H3' . 51348 1 19 . 1 . 1 4 4 U H5 H 1 5.1130 0.0000 . 1 . . . . . 4 U H5 . 51348 1 20 . 1 . 1 4 4 U H6 H 1 7.7185 0.0000 . 1 . . . . . 4 U H6 . 51348 1 21 . 1 . 1 4 4 U C6 C 13 141.7274 0.0000 . 1 . . . . . 4 U C6 . 51348 1 22 . 1 . 1 5 5 G H1' H 1 5.7833 0.0000 . 1 . . . . . 5 G H1' . 51348 1 23 . 1 . 1 5 5 G H2' H 1 4.5163 0.0000 . 1 . . . . . 5 G H2' . 51348 1 24 . 1 . 1 5 5 G H3' H 1 4.5163 0.0000 . 1 . . . . . 5 G H3' . 51348 1 25 . 1 . 1 5 5 G H8 H 1 7.7377 0.0000 . 1 . . . . . 5 G H8 . 51348 1 26 . 1 . 1 5 5 G C8 C 13 136.5928 0.0000 . 1 . . . . . 5 G C8 . 51348 1 27 . 1 . 1 6 6 U H1' H 1 5.4615 0.0000 . 1 . . . . . 6 U H1' . 51348 1 28 . 1 . 1 6 6 U H2' H 1 4.5708 0.0000 . 1 . . . . . 6 U H2' . 51348 1 29 . 1 . 1 6 6 U H3' H 1 4.5958 0.0000 . 1 . . . . . 6 U H3' . 51348 1 30 . 1 . 1 6 6 U H5 H 1 5.1319 0.0000 . 1 . . . . . 6 U H5 . 51348 1 31 . 1 . 1 6 6 U H6 H 1 7.7994 0.0000 . 1 . . . . . 6 U H6 . 51348 1 32 . 1 . 1 6 6 U C6 C 13 141.6494 0.0000 . 1 . . . . . 6 U C6 . 51348 1 33 . 1 . 1 7 7 A H1' H 1 5.9787 0.0000 . 1 . . . . . 7 A H1' . 51348 1 34 . 1 . 1 7 7 A H2 H 1 6.7153 0.0000 . 1 . . . . . 7 A H2 . 51348 1 35 . 1 . 1 7 7 A H2' H 1 4.7408 0.0000 . 1 . . . . . 7 A H2' . 51348 1 36 . 1 . 1 7 7 A H3' H 1 4.6852 0.0000 . 1 . . . . . 7 A H3' . 51348 1 37 . 1 . 1 7 7 A H8 H 1 8.1329 0.0000 . 1 . . . . . 7 A H8 . 51348 1 38 . 1 . 1 7 7 A C2 C 13 152.5048 0.0000 . 1 . . . . . 7 A C2 . 51348 1 39 . 1 . 1 7 7 A C8 C 13 139.8005 0.0000 . 1 . . . . . 7 A C8 . 51348 1 40 . 1 . 1 8 8 G H1' H 1 5.5002 0.0000 . 1 . . . . . 8 G H1' . 51348 1 41 . 1 . 1 8 8 G H2' H 1 4.5456 0.0000 . 1 . . . . . 8 G H2' . 51348 1 42 . 1 . 1 8 8 G H3' H 1 4.4657 0.0000 . 1 . . . . . 8 G H3' . 51348 1 43 . 1 . 1 8 8 G H8 H 1 7.1478 0.0000 . 1 . . . . . 8 G H8 . 51348 1 44 . 1 . 1 8 8 G C8 C 13 135.9802 0.0000 . 1 . . . . . 8 G C8 . 51348 1 45 . 1 . 1 9 9 A H1' H 1 5.8632 0.0000 . 1 . . . . . 9 A H1' . 51348 1 46 . 1 . 1 9 9 A H2 H 1 7.0908 0.0000 . 1 . . . . . 9 A H2 . 51348 1 47 . 1 . 1 9 9 A H2' H 1 4.5429 0.0000 . 1 . . . . . 9 A H2' . 51348 1 48 . 1 . 1 9 9 A H3' H 1 4.4655 0.0000 . 1 . . . . . 9 A H3' . 51348 1 49 . 1 . 1 9 9 A H8 H 1 7.6726 0.0000 . 1 . . . . . 9 A H8 . 51348 1 50 . 1 . 1 9 9 A C2 C 13 152.9354 0.0000 . 1 . . . . . 9 A C2 . 51348 1 51 . 1 . 1 9 9 A C8 C 13 139.3439 0.0000 . 1 . . . . . 9 A C8 . 51348 1 52 . 1 . 1 10 10 A H1' H 1 5.9399 0.0000 . 1 . . . . . 10 A H1' . 51348 1 53 . 1 . 1 10 10 A H2 H 1 7.8117 0.0000 . 1 . . . . . 10 A H2 . 51348 1 54 . 1 . 1 10 10 A H2' H 1 4.5015 0.0000 . 1 . . . . . 10 A H2' . 51348 1 55 . 1 . 1 10 10 A H3' H 1 4.5226 0.0000 . 1 . . . . . 10 A H3' . 51348 1 56 . 1 . 1 10 10 A H8 H 1 7.5944 0.0000 . 1 . . . . . 10 A H8 . 51348 1 57 . 1 . 1 10 10 A C2 C 13 153.7866 0.0000 . 1 . . . . . 10 A C2 . 51348 1 58 . 1 . 1 10 10 A C8 C 13 138.8204 0.0000 . 1 . . . . . 10 A C8 . 51348 1 59 . 1 . 1 11 11 G H1' H 1 5.5185 0.0000 . 1 . . . . . 101 G H1' . 51348 1 60 . 1 . 1 11 11 G H2' H 1 4.3138 0.0000 . 1 . . . . . 101 G H2' . 51348 1 61 . 1 . 1 11 11 G H3' H 1 4.6226 0.0000 . 1 . . . . . 101 G H3' . 51348 1 62 . 1 . 1 11 11 G H8 H 1 7.0643 0.0000 . 1 . . . . . 101 G H8 . 51348 1 63 . 1 . 1 11 11 G C8 C 13 136.0878 0.0000 . 1 . . . . . 101 G C8 . 51348 1 64 . 1 . 1 12 12 A H1' H 1 5.7142 0.0000 . 1 . . . . . 102 A H1' . 51348 1 65 . 1 . 1 12 12 A H2 H 1 7.9551 0.0000 . 1 . . . . . 102 A H2 . 51348 1 66 . 1 . 1 12 12 A H2' H 1 4.6792 0.0000 . 1 . . . . . 102 A H2' . 51348 1 67 . 1 . 1 12 12 A H3' H 1 4.4659 0.0000 . 1 . . . . . 102 A H3' . 51348 1 68 . 1 . 1 12 12 A H8 H 1 8.2584 0.0000 . 1 . . . . . 102 A H8 . 51348 1 69 . 1 . 1 12 12 A C2 C 13 154.5795 0.0000 . 1 . . . . . 102 A C2 . 51348 1 70 . 1 . 1 12 12 A C8 C 13 141.9687 0.0000 . 1 . . . . . 102 A C8 . 51348 1 71 . 1 . 1 13 13 G H1' H 1 5.1942 0.0000 . 1 . . . . . 103 G H1' . 51348 1 72 . 1 . 1 13 13 G H2' H 1 4.3970 0.0000 . 1 . . . . . 103 G H2' . 51348 1 73 . 1 . 1 13 13 G H3' H 1 4.6488 0.0000 . 1 . . . . . 103 G H3' . 51348 1 74 . 1 . 1 13 13 G H8 H 1 7.5946 0.0000 . 1 . . . . . 103 G H8 . 51348 1 75 . 1 . 1 13 13 G C8 C 13 137.4393 0.0000 . 1 . . . . . 103 G C8 . 51348 1 76 . 1 . 1 14 14 A H1' H 1 6.1350 0.0000 . 1 . . . . . 104 A H1' . 51348 1 77 . 1 . 1 14 14 A H2 H 1 8.3135 0.0000 . 1 . . . . . 104 A H2 . 51348 1 78 . 1 . 1 14 14 A H2' H 1 4.5464 0.0000 . 1 . . . . . 104 A H2' . 51348 1 79 . 1 . 1 14 14 A H3' H 1 4.9062 0.0000 . 1 . . . . . 104 A H3' . 51348 1 80 . 1 . 1 14 14 A H8 H 1 8.2116 0.0000 . 1 . . . . . 104 A H8 . 51348 1 81 . 1 . 1 14 14 A C2 C 13 155.8084 0.0000 . 1 . . . . . 104 A C2 . 51348 1 82 . 1 . 1 14 14 A C8 C 13 140.3945 0.0000 . 1 . . . . . 104 A C8 . 51348 1 83 . 1 . 1 15 15 U H1' H 1 4.4839 0.0000 . 1 . . . . . 34 U H1' . 51348 1 84 . 1 . 1 15 15 U H2' H 1 4.2812 0.0000 . 1 . . . . . 34 U H2' . 51348 1 85 . 1 . 1 15 15 U H3' H 1 4.4239 0.0000 . 1 . . . . . 34 U H3' . 51348 1 86 . 1 . 1 15 15 U H5 H 1 5.9665 0.0000 . 1 . . . . . 34 U H5 . 51348 1 87 . 1 . 1 15 15 U H6 H 1 8.1097 0.0000 . 1 . . . . . 34 U H6 . 51348 1 88 . 1 . 1 15 15 U C6 C 13 143.0379 0.0000 . 1 . . . . . 34 U C6 . 51348 1 89 . 1 . 1 16 16 U H1' H 1 5.6715 0.0000 . 1 . . . . . 35 U H1' . 51348 1 90 . 1 . 1 16 16 U H2' H 1 4.4524 0.0000 . 1 . . . . . 35 U H2' . 51348 1 91 . 1 . 1 16 16 U H3' H 1 4.5095 0.0000 . 1 . . . . . 35 U H3' . 51348 1 92 . 1 . 1 16 16 U H5 H 1 5.6603 0.0000 . 1 . . . . . 35 U H5 . 51348 1 93 . 1 . 1 16 16 U H6 H 1 8.0320 0.0000 . 1 . . . . . 35 U H6 . 51348 1 94 . 1 . 1 16 16 U C6 C 13 142.7298 0.0000 . 1 . . . . . 35 U C6 . 51348 1 95 . 1 . 1 17 17 C H1' H 1 5.4681 0.0000 . 1 . . . . . 36 C H1' . 51348 1 96 . 1 . 1 17 17 C H2' H 1 4.2928 0.0000 . 1 . . . . . 36 C H2' . 51348 1 97 . 1 . 1 17 17 C H3' H 1 4.4742 0.0000 . 1 . . . . . 36 C H3' . 51348 1 98 . 1 . 1 17 17 C H5 H 1 5.6691 0.0000 . 1 . . . . . 36 C H5 . 51348 1 99 . 1 . 1 17 17 C H6 H 1 7.9066 0.0000 . 1 . . . . . 36 C H6 . 51348 1 100 . 1 . 1 17 17 C C6 C 13 141.9835 0.0000 . 1 . . . . . 36 C C6 . 51348 1 101 . 1 . 1 18 18 U H1' H 1 5.4048 0.0000 . 1 . . . . . 37 U H1' . 51348 1 102 . 1 . 1 18 18 U H2' H 1 4.5009 0.0000 . 1 . . . . . 37 U H2' . 51348 1 103 . 1 . 1 18 18 U H3' H 1 4.6169 0.0000 . 1 . . . . . 37 U H3' . 51348 1 104 . 1 . 1 18 18 U H5 H 1 5.4100 0.0000 . 1 . . . . . 37 U H5 . 51348 1 105 . 1 . 1 18 18 U H6 H 1 7.8945 0.0000 . 1 . . . . . 37 U H6 . 51348 1 106 . 1 . 1 18 18 U C6 C 13 141.9501 0.0000 . 1 . . . . . 37 U C6 . 51348 1 107 . 1 . 1 19 19 A H1' H 1 5.9647 0.0000 . 1 . . . . . 38 A H1' . 51348 1 108 . 1 . 1 19 19 A H2 H 1 7.0604 0.0000 . 1 . . . . . 38 A H2 . 51348 1 109 . 1 . 1 19 19 A H2' H 1 4.6237 0.0000 . 1 . . . . . 38 A H2' . 51348 1 110 . 1 . 1 19 19 A H3' H 1 4.7378 0.0000 . 1 . . . . . 38 A H3' . 51348 1 111 . 1 . 1 19 19 A H8 H 1 8.2495 0.0000 . 1 . . . . . 38 A H8 . 51348 1 112 . 1 . 1 19 19 A C2 C 13 153.2651 0.0000 . 1 . . . . . 38 A C2 . 51348 1 113 . 1 . 1 19 19 A C8 C 13 139.8859 0.0000 . 1 . . . . . 38 A C8 . 51348 1 114 . 1 . 1 20 20 C H1' H 1 5.3299 0.0000 . 1 . . . . . 39 C H1' . 51348 1 115 . 1 . 1 20 20 C H2' H 1 4.2795 0.0000 . 1 . . . . . 39 C H2' . 51348 1 116 . 1 . 1 20 20 C H3' H 1 4.4994 0.0000 . 1 . . . . . 39 C H3' . 51348 1 117 . 1 . 1 20 20 C H5 H 1 5.2087 0.0000 . 1 . . . . . 39 C H5 . 51348 1 118 . 1 . 1 20 20 C H6 H 1 7.6069 0.0000 . 1 . . . . . 39 C H6 . 51348 1 119 . 1 . 1 20 20 C C6 C 13 140.8697 0.0000 . 1 . . . . . 39 C C6 . 51348 1 120 . 1 . 1 21 21 A H1' H 1 5.9098 0.0000 . 1 . . . . . 40 A H1' . 51348 1 121 . 1 . 1 21 21 A H2 H 1 7.4390 0.0000 . 1 . . . . . 40 A H2 . 51348 1 122 . 1 . 1 21 21 A H2' H 1 4.5666 0.0000 . 1 . . . . . 40 A H2' . 51348 1 123 . 1 . 1 21 21 A H3' H 1 4.6958 0.0000 . 1 . . . . . 40 A H3' . 51348 1 124 . 1 . 1 21 21 A H8 H 1 8.1007 0.0000 . 1 . . . . . 40 A H8 . 51348 1 125 . 1 . 1 21 21 A C2 C 13 153.5692 0.0000 . 1 . . . . . 40 A C2 . 51348 1 126 . 1 . 1 21 21 A C8 C 13 139.6669 0.0000 . 1 . . . . . 40 A C8 . 51348 1 127 . 1 . 1 22 22 C H1' H 1 5.4232 0.0000 . 1 . . . . . 41 C H1' . 51348 1 128 . 1 . 1 22 22 C H2' H 1 4.2188 0.0000 . 1 . . . . . 41 C H2' . 51348 1 129 . 1 . 1 22 22 C H3' H 1 4.3905 0.0000 . 1 . . . . . 41 C H3' . 51348 1 130 . 1 . 1 22 22 C H5 H 1 5.2076 0.0000 . 1 . . . . . 41 C H5 . 51348 1 131 . 1 . 1 22 22 C H6 H 1 7.6170 0.0000 . 1 . . . . . 41 C H6 . 51348 1 132 . 1 . 1 22 22 C C6 C 13 140.8920 0.0000 . 1 . . . . . 41 C C6 . 51348 1 133 . 1 . 1 23 23 C H1' H 1 5.5189 0.0000 . 1 . . . . . 42 C H1' . 51348 1 134 . 1 . 1 23 23 C H2' H 1 4.2576 0.0000 . 1 . . . . . 42 C H2' . 51348 1 135 . 1 . 1 23 23 C H3' H 1 4.5078 0.0000 . 1 . . . . . 42 C H3' . 51348 1 136 . 1 . 1 23 23 C H5 H 1 5.4221 0.0000 . 1 . . . . . 42 C H5 . 51348 1 137 . 1 . 1 23 23 C H6 H 1 7.8334 0.0000 . 1 . . . . . 42 C H6 . 51348 1 138 . 1 . 1 23 23 C C6 C 13 141.7496 0.0000 . 1 . . . . . 42 C C6 . 51348 1 139 . 1 . 1 24 24 C H1' H 1 5.7855 0.0000 . 1 . . . . . 43 C H1' . 51348 1 140 . 1 . 1 24 24 C H2' H 1 4.0256 0.0000 . 1 . . . . . 43 C H2' . 51348 1 141 . 1 . 1 24 24 C H3' H 1 4.1889 0.0000 . 1 . . . . . 43 C H3' . 51348 1 142 . 1 . 1 24 24 C H5 H 1 5.4971 0.0000 . 1 . . . . . 43 C H5 . 51348 1 143 . 1 . 1 24 24 C H6 H 1 7.7343 0.0000 . 1 . . . . . 43 C H6 . 51348 1 144 . 1 . 1 24 24 C C6 C 13 141.9613 0.0000 . 1 . . . . . 43 C C6 . 51348 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51348 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name NPSL2_Frag1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 4 '2D 1H-1H NOESY' . . . 51348 2 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 . . 51348 2 2 $software_2 . . 51348 2 3 $software_3 . . 51348 2 4 $software_4 . . 51348 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.8599 0.0000 . 1 . . . . . 1 G H1' . 51348 2 2 . 1 . 1 1 1 G H2' H 1 4.9581 0.0000 . 1 . . . . . 1 G H2' . 51348 2 3 . 1 . 1 1 1 G H3' H 1 4.7235 0.0000 . 1 . . . . . 1 G H3' . 51348 2 4 . 1 . 1 1 1 G H8 H 1 8.1817 0.0000 . 1 . . . . . 1 G H8 . 51348 2 5 . 1 . 1 2 2 G H1' H 1 5.9815 0.0000 . 1 . . . . . 2 G H1' . 51348 2 6 . 1 . 1 2 2 G H2' H 1 4.7608 0.0000 . 1 . . . . . 2 G H2' . 51348 2 7 . 1 . 1 2 2 G H3' H 1 4.5813 0.0000 . 1 . . . . . 2 G H3' . 51348 2 8 . 1 . 1 2 2 G H8 H 1 7.5791 0.0000 . 1 . . . . . 2 G H8 . 51348 2 9 . 1 . 1 3 3 G H1' H 1 5.8249 0.0000 . 1 . . . . . 3 G H1' . 51348 2 10 . 1 . 1 3 3 G H2' H 1 4.5271 0.0000 . 1 . . . . . 3 G H2' . 51348 2 11 . 1 . 1 3 3 G H3' H 1 4.4661 0.0000 . 1 . . . . . 3 G H3' . 51348 2 12 . 1 . 1 3 3 G H8 H 1 7.2168 0.0000 . 1 . . . . . 3 G H8 . 51348 2 13 . 1 . 1 4 4 U H1' H 1 5.5886 0.0000 . 1 . . . . . 4 U H1' . 51348 2 14 . 1 . 1 4 4 U H2' H 1 4.7742 0.0000 . 1 . . . . . 4 U H2' . 51348 2 15 . 1 . 1 4 4 U H3' H 1 4.5396 0.0000 . 1 . . . . . 4 U H3' . 51348 2 16 . 1 . 1 4 4 U H5 H 1 5.1197 0.0000 . 1 . . . . . 4 U H5 . 51348 2 17 . 1 . 1 4 4 U H6 H 1 7.7066 0.0000 . 1 . . . . . 4 U H6 . 51348 2 18 . 1 . 1 5 5 G H1' H 1 5.7842 0.0000 . 1 . . . . . 5 G H1' . 51348 2 19 . 1 . 1 5 5 G H2' H 1 4.5277 0.0000 . 1 . . . . . 5 G H2' . 51348 2 20 . 1 . 1 5 5 G H3' H 1 4.5277 0.0000 . 1 . . . . . 5 G H3' . 51348 2 21 . 1 . 1 5 5 G H8 H 1 7.7151 0.0000 . 1 . . . . . 5 G H8 . 51348 2 22 . 1 . 1 6 6 U H1' H 1 5.4615 0.0000 . 1 . . . . . 6 U H1' . 51348 2 23 . 1 . 1 6 6 U H2' H 1 4.6027 0.0000 . 1 . . . . . 6 U H2' . 51348 2 24 . 1 . 1 6 6 U H3' H 1 4.6027 0.0000 . 1 . . . . . 6 U H3' . 51348 2 25 . 1 . 1 6 6 U H5 H 1 5.1412 0.0000 . 1 . . . . . 6 U H5 . 51348 2 26 . 1 . 1 6 6 U H6 H 1 7.7934 0.0000 . 1 . . . . . 6 U H6 . 51348 2 27 . 1 . 1 7 7 A H1' H 1 5.9888 0.0000 . 1 . . . . . 7 A H1' . 51348 2 28 . 1 . 1 7 7 A H2 H 1 6.6684 0.0000 . 1 . . . . . 7 A H2 . 51348 2 29 . 1 . 1 7 7 A H2' H 1 4.6973 0.0000 . 1 . . . . . 7 A H2' . 51348 2 30 . 1 . 1 7 7 A H3' H 1 4.7525 0.0000 . 1 . . . . . 7 A H3' . 51348 2 31 . 1 . 1 7 7 A H8 H 1 8.1084 0.0000 . 1 . . . . . 7 A H8 . 51348 2 32 . 1 . 1 8 8 G H1' H 1 5.4997 0.0000 . 1 . . . . . 8 G H1' . 51348 2 33 . 1 . 1 8 8 G H2' H 1 4.5455 0.0000 . 1 . . . . . 8 G H2' . 51348 2 34 . 1 . 1 8 8 G H3' H 1 4.4627 0.0000 . 1 . . . . . 8 G H3' . 51348 2 35 . 1 . 1 8 8 G H8 H 1 7.1250 0.0000 . 1 . . . . . 8 G H8 . 51348 2 36 . 1 . 1 9 9 A H1' H 1 5.8700 0.0000 . 1 . . . . . 9 A H1' . 51348 2 37 . 1 . 1 9 9 A H2 H 1 7.0692 0.0000 . 1 . . . . . 9 A H2 . 51348 2 38 . 1 . 1 9 9 A H8 H 1 7.6566 0.0000 . 1 . . . . . 9 A H8 . 51348 2 39 . 1 . 1 10 10 A H1' H 1 5.9779 0.0000 . 1 . . . . . 10 A H1' . 51348 2 40 . 1 . 1 10 10 A H2 H 1 7.7628 0.0000 . 1 . . . . . 10 A H2 . 51348 2 41 . 1 . 1 10 10 A H2' H 1 4.4903 0.0000 . 1 . . . . . 10 A H2' . 51348 2 42 . 1 . 1 10 10 A H3' H 1 4.5192 0.0000 . 1 . . . . . 10 A H3' . 51348 2 43 . 1 . 1 10 10 A H8 H 1 7.5799 0.0000 . 1 . . . . . 10 A H8 . 51348 2 44 . 1 . 1 11 11 G H1' H 1 5.5645 0.0000 . 1 . . . . . 101 G H1' . 51348 2 45 . 1 . 1 11 11 G H2' H 1 4.3090 0.0000 . 1 . . . . . 101 G H2' . 51348 2 46 . 1 . 1 11 11 G H3' H 1 4.6701 0.0000 . 1 . . . . . 101 G H3' . 51348 2 47 . 1 . 1 11 11 G H8 H 1 6.9672 0.0000 . 1 . . . . . 101 G H8 . 51348 2 48 . 1 . 1 12 12 A H1' H 1 5.6963 0.0000 . 1 . . . . . 102 A H1' . 51348 2 49 . 1 . 1 12 12 A H2 H 1 7.8818 0.0000 . 1 . . . . . 102 A H2 . 51348 2 50 . 1 . 1 12 12 A H2' H 1 4.5086 0.0000 . 1 . . . . . 102 A H2' . 51348 2 51 . 1 . 1 12 12 A H8 H 1 8.2372 0.0000 . 1 . . . . . 102 A H8 . 51348 2 52 . 1 . 1 13 13 G H1' H 1 5.1655 0.0000 . 1 . . . . . 103 G H1' . 51348 2 53 . 1 . 1 13 13 G H2' H 1 4.3745 0.0000 . 1 . . . . . 103 G H2' . 51348 2 54 . 1 . 1 13 13 G H3' H 1 4.5360 0.0000 . 1 . . . . . 103 G H3' . 51348 2 55 . 1 . 1 13 13 G H8 H 1 7.5251 0.0000 . 1 . . . . . 103 G H8 . 51348 2 56 . 1 . 1 14 14 A H1' H 1 6.1539 0.0000 . 1 . . . . . 104 A H1' . 51348 2 57 . 1 . 1 14 14 A H2 H 1 8.2928 0.0000 . 1 . . . . . 104 A H2 . 51348 2 58 . 1 . 1 14 14 A H2' H 1 4.5355 0.0000 . 1 . . . . . 104 A H2' . 51348 2 59 . 1 . 1 14 14 A H3' H 1 4.8918 0.0000 . 1 . . . . . 104 A H3' . 51348 2 60 . 1 . 1 14 14 A H8 H 1 8.1598 0.0000 . 1 . . . . . 104 A H8 . 51348 2 61 . 1 . 1 15 15 U H1' H 1 4.4578 0.0000 . 1 . . . . . 34 U H1' . 51348 2 62 . 1 . 1 15 15 U H2' H 1 4.2673 0.0000 . 1 . . . . . 34 U H2' . 51348 2 63 . 1 . 1 15 15 U H3' H 1 4.4532 0.0000 . 1 . . . . . 34 U H3' . 51348 2 64 . 1 . 1 15 15 U H5 H 1 5.9778 0.0000 . 1 . . . . . 34 U H5 . 51348 2 65 . 1 . 1 15 15 U H6 H 1 8.1197 0.0000 . 1 . . . . . 34 U H6 . 51348 2 66 . 1 . 1 16 16 U H1' H 1 5.6745 0.0000 . 1 . . . . . 35 U H1' . 51348 2 67 . 1 . 1 16 16 U H2' H 1 4.4349 0.0000 . 1 . . . . . 35 U H2' . 51348 2 68 . 1 . 1 16 16 U H3' H 1 4.5264 0.0000 . 1 . . . . . 35 U H3' . 51348 2 69 . 1 . 1 16 16 U H5 H 1 5.6780 0.0000 . 1 . . . . . 35 U H5 . 51348 2 70 . 1 . 1 16 16 U H6 H 1 8.0096 0.0000 . 1 . . . . . 35 U H6 . 51348 2 71 . 1 . 1 17 17 C H1' H 1 5.4710 0.0000 . 1 . . . . . 36 C H1' . 51348 2 72 . 1 . 1 17 17 C H2' H 1 4.3007 0.0000 . 1 . . . . . 36 C H2' . 51348 2 73 . 1 . 1 17 17 C H5 H 1 5.6783 0.0000 . 1 . . . . . 36 C H5 . 51348 2 74 . 1 . 1 17 17 C H6 H 1 7.8809 0.0000 . 1 . . . . . 36 C H6 . 51348 2 75 . 1 . 1 18 18 U H1' H 1 5.4125 0.0000 . 1 . . . . . 37 U H1' . 51348 2 76 . 1 . 1 18 18 U H3' H 1 4.6213 0.0000 . 1 . . . . . 37 U H3' . 51348 2 77 . 1 . 1 18 18 U H5 H 1 5.4216 0.0000 . 1 . . . . . 37 U H5 . 51348 2 78 . 1 . 1 18 18 U H6 H 1 7.8770 0.0000 . 1 . . . . . 37 U H6 . 51348 2 79 . 1 . 1 19 19 A H1' H 1 5.9776 0.0000 . 1 . . . . . 38 A H1' . 51348 2 80 . 1 . 1 19 19 A H2 H 1 7.0207 0.0000 . 1 . . . . . 38 A H2 . 51348 2 81 . 1 . 1 19 19 A H2' H 1 4.6259 0.0000 . 1 . . . . . 38 A H2' . 51348 2 82 . 1 . 1 19 19 A H3' H 1 4.7438 0.0000 . 1 . . . . . 38 A H3' . 51348 2 83 . 1 . 1 19 19 A H8 H 1 8.2336 0.0000 . 1 . . . . . 38 A H8 . 51348 2 84 . 1 . 1 20 20 C H1' H 1 5.3394 0.0000 . 1 . . . . . 39 C H1' . 51348 2 85 . 1 . 1 20 20 C H2' H 1 4.2785 0.0000 . 1 . . . . . 39 C H2' . 51348 2 86 . 1 . 1 20 20 C H3' H 1 4.4101 0.0000 . 1 . . . . . 39 C H3' . 51348 2 87 . 1 . 1 20 20 C H5 H 1 5.2193 0.0000 . 1 . . . . . 39 C H5 . 51348 2 88 . 1 . 1 20 20 C H6 H 1 7.6044 0.0000 . 1 . . . . . 39 C H6 . 51348 2 89 . 1 . 1 21 21 A H1' H 1 5.9202 0.0000 . 1 . . . . . 40 A H1' . 51348 2 90 . 1 . 1 21 21 A H2 H 1 7.4412 0.0000 . 1 . . . . . 40 A H2 . 51348 2 91 . 1 . 1 21 21 A H2' H 1 4.5271 0.0000 . 1 . . . . . 40 A H2' . 51348 2 92 . 1 . 1 21 21 A H3' H 1 4.7116 0.0000 . 1 . . . . . 40 A H3' . 51348 2 93 . 1 . 1 21 21 A H8 H 1 8.0822 0.0000 . 1 . . . . . 40 A H8 . 51348 2 94 . 1 . 1 22 22 C H1' H 1 5.4367 0.0000 . 1 . . . . . 41 C H1' . 51348 2 95 . 1 . 1 22 22 C H2' H 1 4.2257 0.0000 . 1 . . . . . 41 C H2' . 51348 2 96 . 1 . 1 22 22 C H3' H 1 4.4052 0.0000 . 1 . . . . . 41 C H3' . 51348 2 97 . 1 . 1 22 22 C H5 H 1 5.2197 0.0000 . 1 . . . . . 41 C H5 . 51348 2 98 . 1 . 1 22 22 C H6 H 1 7.6059 0.0000 . 1 . . . . . 41 C H6 . 51348 2 99 . 1 . 1 23 23 C H1' H 1 5.5250 0.0000 . 1 . . . . . 42 C H1' . 51348 2 100 . 1 . 1 23 23 C H2' H 1 4.2765 0.0000 . 1 . . . . . 42 C H2' . 51348 2 101 . 1 . 1 23 23 C H3' H 1 4.3984 0.0000 . 1 . . . . . 42 C H3' . 51348 2 102 . 1 . 1 23 23 C H5 H 1 5.4326 0.0000 . 1 . . . . . 42 C H5 . 51348 2 103 . 1 . 1 23 23 C H6 H 1 7.8086 0.0000 . 1 . . . . . 42 C H6 . 51348 2 104 . 1 . 1 24 24 C H1' H 1 5.7713 0.0000 . 1 . . . . . 43 C H1' . 51348 2 105 . 1 . 1 24 24 C H2' H 1 4.0298 0.0000 . 1 . . . . . 43 C H2' . 51348 2 106 . 1 . 1 24 24 C H3' H 1 4.1935 0.0000 . 1 . . . . . 43 C H3' . 51348 2 107 . 1 . 1 24 24 C H5 H 1 5.4949 0.0000 . 1 . . . . . 43 C H5 . 51348 2 108 . 1 . 1 24 24 C H6 H 1 7.7012 0.0000 . 1 . . . . . 43 C H6 . 51348 2 stop_ save_