data_52280 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52280 _Entry.Title ; 20a-Frag3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-23 _Entry.Accession_date 2024-01-23 _Entry.Last_release_date 2024-01-23 _Entry.Original_release_date 2024-01-23 _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 . . . . 52280 2 Cade Harkner . T. . . 52280 3 Aldrex Munsayac . . . . 52280 4 Sarah Keane . C. . . 52280 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52280 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 39 52280 '1H chemical shifts' 145 52280 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 . . 2025-07-07 . original BMRB . 52280 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52278 20a-Frag1 52280 BMRB 52279 20a-Frag2 52280 BMRB 52281 20a-Frag4 52280 BMRB 52285 pre-miR-20a 52280 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52280 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40609633 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural features within precursor microRNA-20a regulate Dicer-TRBP processing ; _Citation.Status published _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 2025 _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 Y. . . . 52280 1 2 Cade Harkner C. T. . . 52280 1 3 Megan Westwood M. N. . . 52280 1 4 Aldrex Munsayac A. . . . 52280 1 5 Sarah Keane S. C. . . 52280 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52280 _Assembly.ID 1 _Assembly.Name 20a-Frag3 _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 20a-Frag3 1 $entity_1 . . yes native no no . . . 52280 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52280 _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 ; GGUAGUGCAGGUAGGAGACU ACUGCAUUACC ; _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 31 _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 1214 G . 52280 1 2 1215 G . 52280 1 3 499 U . 52280 1 4 500 A . 52280 1 5 501 G . 52280 1 6 502 U . 52280 1 7 503 G . 52280 1 8 504 C . 52280 1 9 505 A . 52280 1 10 506 G . 52280 1 11 507 G . 52280 1 12 508 U . 52280 1 13 509 A . 52280 1 14 510 G . 52280 1 15 1216 G . 52280 1 16 1217 A . 52280 1 17 1218 G . 52280 1 18 1219 A . 52280 1 19 522 C . 52280 1 20 523 U . 52280 1 21 524 A . 52280 1 22 525 C . 52280 1 23 526 U . 52280 1 24 527 G . 52280 1 25 528 C . 52280 1 26 529 A . 52280 1 27 530 U . 52280 1 28 531 U . 52280 1 29 532 A . 52280 1 30 1220 C . 52280 1 31 1221 C . 52280 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 52280 1 . G 2 2 52280 1 . U 3 3 52280 1 . A 4 4 52280 1 . G 5 5 52280 1 . U 6 6 52280 1 . G 7 7 52280 1 . C 8 8 52280 1 . A 9 9 52280 1 . G 10 10 52280 1 . G 11 11 52280 1 . U 12 12 52280 1 . A 13 13 52280 1 . G 14 14 52280 1 . G 15 15 52280 1 . A 16 16 52280 1 . G 17 17 52280 1 . A 18 18 52280 1 . C 19 19 52280 1 . U 20 20 52280 1 . A 21 21 52280 1 . C 22 22 52280 1 . U 23 23 52280 1 . G 24 24 52280 1 . C 25 25 52280 1 . A 26 26 52280 1 . U 27 27 52280 1 . U 28 28 52280 1 . A 29 29 52280 1 . C 30 30 52280 1 . C 31 31 52280 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 52280 _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 . . . . . . . . . . . . . 52280 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 52280 _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' . . . In vitro . . . . . . . . . . 52280 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52280 _Sample.ID 1 _Sample.Name 20a-Frag3 _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 20a-Frag3 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 52280 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52280 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 52280 _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 52280 1 pH 7.5 . pH 52280 1 pressure 1 . atm 52280 1 temperature 310 . K 52280 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52280 _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 . 52280 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52280 _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 . 52280 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52280 _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' . 52280 3 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 52280 _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 52280 _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 . . . . . . . . . . . . . . . . . 52280 1 2 '2D 1H-1H TOCSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52280 1 3 '2D 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52280 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' miR-20a_Frag3_HMQC.zip . 'Time-domain (raw spectral data)' . . 52280 1 2 '2D 1H-1H TOCSY' miR-20a_Frag3_TOCSY.zip . 'Time-domain (raw spectral data)' . . 52280 1 3 '2D 1H-1H NOESY' miR-20a_Frag3_NOESY.zip . 'Time-domain (raw spectral data)' . . 52280 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 52280 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 20a-Frag3_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 . . . . . . 52280 1 H 1 water protons . . . . ppm 4.703 internal direct 1 . . . . . 52280 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 52280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20a-Frag3 _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' . . . 52280 1 2 '2D 1H-1H TOCSY' . . . 52280 1 3 '2D 1H-1H NOESY' . . . 52280 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 . . 52280 1 2 $software_2 . . 52280 1 3 $software_3 . . 52280 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 H3' H 1 4.8331 0.0000 . 1 . . . . . 1214 G H3' . 52280 1 2 . 1 . 1 1 1 G H2' H 1 5.0542 0.0000 . 1 . . . . . 1214 G H2' . 52280 1 3 . 1 . 1 1 1 G H1' H 1 5.9283 0.0000 . 1 . . . . . 1214 G H1' . 52280 1 4 . 1 . 1 1 1 G C8 C 13 139.3493 0.0000 . 1 . . . . . 1214 G C8 . 52280 1 5 . 1 . 1 1 1 G H8 H 1 8.2553 0.0000 . 1 . . . . . 1214 G H8 . 52280 1 6 . 1 . 1 2 2 G H3' H 1 4.5655 0.0000 . 1 . . . . . 1215 G H3' . 52280 1 7 . 1 . 1 2 2 G H2' H 1 4.5655 0.0000 . 1 . . . . . 1215 G H2' . 52280 1 8 . 1 . 1 2 2 G H1' H 1 6.0040 0.0000 . 1 . . . . . 1215 G H1' . 52280 1 9 . 1 . 1 2 2 G C8 C 13 137.4036 0.0000 . 1 . . . . . 1215 G C8 . 52280 1 10 . 1 . 1 2 2 G H8 H 1 7.6428 0.0000 . 1 . . . . . 1215 G H8 . 52280 1 11 . 1 . 1 3 3 U H3' H 1 4.7073 0.0000 . 1 . . . . . 499 U H3' . 52280 1 12 . 1 . 1 3 3 U H2' H 1 4.6416 0.0000 . 1 . . . . . 499 U H2' . 52280 1 13 . 1 . 1 3 3 U H1' H 1 5.6506 0.0000 . 1 . . . . . 499 U H1' . 52280 1 14 . 1 . 1 3 3 U H5 H 1 5.2691 0.0000 . 1 . . . . . 499 U H5 . 52280 1 15 . 1 . 1 3 3 U C6 C 13 141.2716 0.0000 . 1 . . . . . 499 U C6 . 52280 1 16 . 1 . 1 3 3 U H6 H 1 7.8622 0.0000 . 1 . . . . . 499 U H6 . 52280 1 17 . 1 . 1 4 4 A H3' H 1 4.6044 0.0000 . 1 . . . . . 500 A H3' . 52280 1 18 . 1 . 1 4 4 A H2' H 1 4.5671 0.0000 . 1 . . . . . 500 A H2' . 52280 1 19 . 1 . 1 4 4 A H1' H 1 6.1859 0.0000 . 1 . . . . . 500 A H1' . 52280 1 20 . 1 . 1 4 4 A C8 C 13 139.2974 0.0000 . 1 . . . . . 500 A C8 . 52280 1 21 . 1 . 1 4 4 A H8 H 1 8.2054 0.0000 . 1 . . . . . 500 A H8 . 52280 1 22 . 1 . 1 4 4 A C2 C 13 152.5671 0.0000 . 1 . . . . . 500 A C2 . 52280 1 23 . 1 . 1 4 4 A H2 H 1 6.7933 0.0000 . 1 . . . . . 500 A H2 . 52280 1 24 . 1 . 1 5 5 G H3' H 1 4.1755 0.0000 . 1 . . . . . 501 G H3' . 52280 1 25 . 1 . 1 5 5 G H2' H 1 4.4057 0.0000 . 1 . . . . . 501 G H2' . 52280 1 26 . 1 . 1 5 5 G H1' H 1 5.5939 0.0000 . 1 . . . . . 501 G H1' . 52280 1 27 . 1 . 1 5 5 G C8 C 13 136.1687 0.0000 . 1 . . . . . 501 G C8 . 52280 1 28 . 1 . 1 5 5 G H8 H 1 7.0313 0.0000 . 1 . . . . . 501 G H8 . 52280 1 29 . 1 . 1 6 6 U H3' H 1 4.5050 0.0000 . 1 . . . . . 502 U H3' . 52280 1 30 . 1 . 1 6 6 U H2' H 1 4.6009 0.0000 . 1 . . . . . 502 U H2' . 52280 1 31 . 1 . 1 6 6 U H1' H 1 5.5514 0.0000 . 1 . . . . . 502 U H1' . 52280 1 32 . 1 . 1 6 6 U H5 H 1 5.1802 0.0000 . 1 . . . . . 502 U H5 . 52280 1 33 . 1 . 1 6 6 U C6 C 13 140.4794 0.0000 . 1 . . . . . 502 U C6 . 52280 1 34 . 1 . 1 6 6 U H6 H 1 7.6672 0.0000 . 1 . . . . . 502 U H6 . 52280 1 35 . 1 . 1 7 7 G H3' H 1 4.6595 0.0000 . 1 . . . . . 503 G H3' . 52280 1 36 . 1 . 1 7 7 G H2' H 1 4.6044 0.0000 . 1 . . . . . 503 G H2' . 52280 1 37 . 1 . 1 7 7 G H1' H 1 5.8484 0.0000 . 1 . . . . . 503 G H1' . 52280 1 38 . 1 . 1 7 7 G C8 C 13 135.8053 0.0000 . 1 . . . . . 503 G C8 . 52280 1 39 . 1 . 1 7 7 G H8 H 1 7.7406 0.0000 . 1 . . . . . 503 G H8 . 52280 1 40 . 1 . 1 8 8 C H3' H 1 4.5081 0.0000 . 1 . . . . . 504 C H3' . 52280 1 41 . 1 . 1 8 8 C H2' H 1 4.5915 0.0000 . 1 . . . . . 504 C H2' . 52280 1 42 . 1 . 1 8 8 C H1' H 1 5.5489 0.0000 . 1 . . . . . 504 C H1' . 52280 1 43 . 1 . 1 8 8 C H5 H 1 5.3041 0.0000 . 1 . . . . . 504 C H5 . 52280 1 44 . 1 . 1 8 8 C C6 C 13 140.4682 0.0000 . 1 . . . . . 504 C C6 . 52280 1 45 . 1 . 1 8 8 C H6 H 1 7.6789 0.0000 . 1 . . . . . 504 C H6 . 52280 1 46 . 1 . 1 9 9 A H3' H 1 4.7626 0.0000 . 1 . . . . . 505 A H3' . 52280 1 47 . 1 . 1 9 9 A H2' H 1 4.6071 0.0000 . 1 . . . . . 505 A H2' . 52280 1 48 . 1 . 1 9 9 A H1' H 1 5.9802 0.0000 . 1 . . . . . 505 A H1' . 52280 1 49 . 1 . 1 9 9 A C8 C 13 139.7275 0.0000 . 1 . . . . . 505 A C8 . 52280 1 50 . 1 . 1 9 9 A H8 H 1 8.0428 0.0000 . 1 . . . . . 505 A H8 . 52280 1 51 . 1 . 1 9 9 A C2 C 13 152.9726 0.0000 . 1 . . . . . 505 A C2 . 52280 1 52 . 1 . 1 9 9 A H2 H 1 7.1298 0.0000 . 1 . . . . . 505 A H2 . 52280 1 53 . 1 . 1 10 10 G H3' H 1 4.4118 0.0000 . 1 . . . . . 506 G H3' . 52280 1 54 . 1 . 1 10 10 G H2' H 1 4.4118 0.0000 . 1 . . . . . 506 G H2' . 52280 1 55 . 1 . 1 10 10 G H1' H 1 5.7986 0.0000 . 1 . . . . . 506 G H1' . 52280 1 56 . 1 . 1 10 10 G C8 C 13 137.7096 0.0000 . 1 . . . . . 506 G C8 . 52280 1 57 . 1 . 1 10 10 G H8 H 1 7.6540 0.0000 . 1 . . . . . 506 G H8 . 52280 1 58 . 1 . 1 11 11 G H3' H 1 4.4626 0.0000 . 1 . . . . . 507 G H3' . 52280 1 59 . 1 . 1 11 11 G H2' H 1 4.5469 0.0000 . 1 . . . . . 507 G H2' . 52280 1 60 . 1 . 1 11 11 G H1' H 1 5.9453 0.0000 . 1 . . . . . 507 G H1' . 52280 1 61 . 1 . 1 11 11 G C8 C 13 138.5116 0.0000 . 1 . . . . . 507 G C8 . 52280 1 62 . 1 . 1 11 11 G H8 H 1 7.8753 0.0000 . 1 . . . . . 507 G H8 . 52280 1 63 . 1 . 1 12 12 U H3' H 1 4.7623 0.0000 . 1 . . . . . 508 U H3' . 52280 1 64 . 1 . 1 12 12 U H2' H 1 4.6352 0.0000 . 1 . . . . . 508 U H2' . 52280 1 65 . 1 . 1 12 12 U H1' H 1 5.7816 0.0000 . 1 . . . . . 508 U H1' . 52280 1 66 . 1 . 1 12 12 U H5 H 1 5.4461 0.0000 . 1 . . . . . 508 U H5 . 52280 1 67 . 1 . 1 12 12 U C6 C 13 142.7046 0.0000 . 1 . . . . . 508 U C6 . 52280 1 68 . 1 . 1 12 12 U H6 H 1 7.9164 0.0000 . 1 . . . . . 508 U H6 . 52280 1 69 . 1 . 1 13 13 A H3' H 1 4.8168 0.0000 . 1 . . . . . 509 A H3' . 52280 1 70 . 1 . 1 13 13 A H2' H 1 4.6851 0.0000 . 1 . . . . . 509 A H2' . 52280 1 71 . 1 . 1 13 13 A H1' H 1 6.1072 0.0000 . 1 . . . . . 509 A H1' . 52280 1 72 . 1 . 1 13 13 A C8 C 13 140.0658 0.0000 . 1 . . . . . 509 A C8 . 52280 1 73 . 1 . 1 13 13 A H8 H 1 8.2257 0.0000 . 1 . . . . . 509 A H8 . 52280 1 74 . 1 . 1 13 13 A C2 C 13 152.7048 0.0000 . 1 . . . . . 509 A C2 . 52280 1 75 . 1 . 1 13 13 A H2 H 1 6.9479 0.0000 . 1 . . . . . 509 A H2 . 52280 1 76 . 1 . 1 14 14 G H3' H 1 4.5981 0.0000 . 1 . . . . . 510 G H3' . 52280 1 77 . 1 . 1 14 14 G H2' H 1 4.5068 0.0000 . 1 . . . . . 510 G H2' . 52280 1 78 . 1 . 1 14 14 G H1' H 1 5.7563 0.0000 . 1 . . . . . 510 G H1' . 52280 1 79 . 1 . 1 14 14 G C8 C 13 135.3764 0.0000 . 1 . . . . . 510 G C8 . 52280 1 80 . 1 . 1 14 14 G H8 H 1 7.2686 0.0000 . 1 . . . . . 510 G H8 . 52280 1 81 . 1 . 1 15 15 G H3' H 1 4.6243 0.0000 . 1 . . . . . 1216 G H3' . 52280 1 82 . 1 . 1 15 15 G H2' H 1 4.3776 0.0000 . 1 . . . . . 1216 G H2' . 52280 1 83 . 1 . 1 15 15 G H1' H 1 5.7283 0.0000 . 1 . . . . . 1216 G H1' . 52280 1 84 . 1 . 1 15 15 G C8 C 13 135.8134 0.0000 . 1 . . . . . 1216 G C8 . 52280 1 85 . 1 . 1 15 15 G H8 H 1 7.1997 0.0000 . 1 . . . . . 1216 G H8 . 52280 1 86 . 1 . 1 16 16 A H3' H 1 4.4868 0.0000 . 1 . . . . . 1217 A H3' . 52280 1 87 . 1 . 1 16 16 A H2' H 1 4.7303 0.0000 . 1 . . . . . 1217 A H2' . 52280 1 88 . 1 . 1 16 16 A H1' H 1 5.8008 0.0000 . 1 . . . . . 1217 A H1' . 52280 1 89 . 1 . 1 16 16 A C8 C 13 141.6735 0.0000 . 1 . . . . . 1217 A C8 . 52280 1 90 . 1 . 1 16 16 A H8 H 1 8.2891 0.0000 . 1 . . . . . 1217 A H8 . 52280 1 91 . 1 . 1 16 16 A C2 C 13 154.7500 0.0000 . 1 . . . . . 1217 A C2 . 52280 1 92 . 1 . 1 16 16 A H2 H 1 8.0079 0.0000 . 1 . . . . . 1217 A H2 . 52280 1 93 . 1 . 1 17 17 G H3' H 1 4.6372 0.0000 . 1 . . . . . 1218 G H3' . 52280 1 94 . 1 . 1 17 17 G H2' H 1 4.3553 0.0000 . 1 . . . . . 1218 G H2' . 52280 1 95 . 1 . 1 17 17 G H1' H 1 5.2685 0.0000 . 1 . . . . . 1218 G H1' . 52280 1 96 . 1 . 1 17 17 G C8 C 13 137.2728 0.0000 . 1 . . . . . 1218 G C8 . 52280 1 97 . 1 . 1 17 17 G H8 H 1 7.6524 0.0000 . 1 . . . . . 1218 G H8 . 52280 1 98 . 1 . 1 18 18 A H3' H 1 4.9927 0.0000 . 1 . . . . . 1219 A H3' . 52280 1 99 . 1 . 1 18 18 A H2' H 1 4.5873 0.0000 . 1 . . . . . 1219 A H2' . 52280 1 100 . 1 . 1 18 18 A H1' H 1 6.1859 0.0000 . 1 . . . . . 1219 A H1' . 52280 1 101 . 1 . 1 18 18 A C8 C 13 140.3104 0.0000 . 1 . . . . . 1219 A C8 . 52280 1 102 . 1 . 1 18 18 A H8 H 1 8.2319 0.0000 . 1 . . . . . 1219 A H8 . 52280 1 103 . 1 . 1 18 18 A C2 C 13 155.7526 0.0000 . 1 . . . . . 1219 A C2 . 52280 1 104 . 1 . 1 18 18 A H2 H 1 8.3104 0.0000 . 1 . . . . . 1219 A H2 . 52280 1 105 . 1 . 1 19 19 C H3' H 1 4.2633 0.0000 . 1 . . . . . 522 C H3' . 52280 1 106 . 1 . 1 19 19 C H2' H 1 4.3928 0.0000 . 1 . . . . . 522 C H2' . 52280 1 107 . 1 . 1 19 19 C H1' H 1 4.3927 0.0000 . 1 . . . . . 522 C H1' . 52280 1 108 . 1 . 1 19 19 C H5 H 1 6.0929 0.0000 . 1 . . . . . 522 C H5 . 52280 1 109 . 1 . 1 19 19 C C6 C 13 142.0056 0.0000 . 1 . . . . . 522 C C6 . 52280 1 110 . 1 . 1 19 19 C H6 H 1 7.9556 0.0000 . 1 . . . . . 522 C H6 . 52280 1 111 . 1 . 1 20 20 U H3' H 1 4.6711 0.0000 . 1 . . . . . 523 U H3' . 52280 1 112 . 1 . 1 20 20 U H2' H 1 4.4865 0.0000 . 1 . . . . . 523 U H2' . 52280 1 113 . 1 . 1 20 20 U H1' H 1 5.6068 0.0000 . 1 . . . . . 523 U H1' . 52280 1 114 . 1 . 1 20 20 U H5 H 1 5.5721 0.0000 . 1 . . . . . 523 U H5 . 52280 1 115 . 1 . 1 20 20 U C6 C 13 142.0056 0.0000 . 1 . . . . . 523 U C6 . 52280 1 116 . 1 . 1 20 20 U H6 H 1 7.9456 0.0000 . 1 . . . . . 523 U H6 . 52280 1 117 . 1 . 1 21 21 A H3' H 1 4.6106 0.0000 . 1 . . . . . 524 A H3' . 52280 1 118 . 1 . 1 21 21 A H2' H 1 4.4485 0.0000 . 1 . . . . . 524 A H2' . 52280 1 119 . 1 . 1 21 21 A H1' H 1 5.9987 0.0000 . 1 . . . . . 524 A H1' . 52280 1 120 . 1 . 1 21 21 A C8 C 13 139.2794 0.0000 . 1 . . . . . 524 A C8 . 52280 1 121 . 1 . 1 21 21 A H8 H 1 8.1852 0.0000 . 1 . . . . . 524 A H8 . 52280 1 122 . 1 . 1 21 21 A C2 C 13 153.0262 0.0000 . 1 . . . . . 524 A C2 . 52280 1 123 . 1 . 1 21 21 A H2 H 1 7.0708 0.0000 . 1 . . . . . 524 A H2 . 52280 1 124 . 1 . 1 22 22 C H3' H 1 4.4512 0.0000 . 1 . . . . . 525 C H3' . 52280 1 125 . 1 . 1 22 22 C H2' H 1 4.3078 0.0000 . 1 . . . . . 525 C H2' . 52280 1 126 . 1 . 1 22 22 C H1' H 1 5.2396 0.0000 . 1 . . . . . 525 C H1' . 52280 1 127 . 1 . 1 22 22 C H5 H 1 5.3427 0.0000 . 1 . . . . . 525 C H5 . 52280 1 128 . 1 . 1 22 22 C C6 C 13 140.1066 0.0000 . 1 . . . . . 525 C C6 . 52280 1 129 . 1 . 1 22 22 C H6 H 1 7.3904 0.0000 . 1 . . . . . 525 C H6 . 52280 1 130 . 1 . 1 23 23 U H3' H 1 4.5729 0.0000 . 1 . . . . . 526 U H3' . 52280 1 131 . 1 . 1 23 23 U H2' H 1 4.6680 0.0000 . 1 . . . . . 526 U H2' . 52280 1 132 . 1 . 1 23 23 U H1' H 1 5.6025 0.0000 . 1 . . . . . 526 U H1' . 52280 1 133 . 1 . 1 23 23 U H5 H 1 5.5180 0.0000 . 1 . . . . . 526 U H5 . 52280 1 134 . 1 . 1 23 23 U C6 C 13 141.5163 0.0000 . 1 . . . . . 526 U C6 . 52280 1 135 . 1 . 1 23 23 U H6 H 1 7.9340 0.0000 . 1 . . . . . 526 U H6 . 52280 1 136 . 1 . 1 24 24 G H3' H 1 4.6537 0.0000 . 1 . . . . . 527 G H3' . 52280 1 137 . 1 . 1 24 24 G H2' H 1 4.5380 0.0000 . 1 . . . . . 527 G H2' . 52280 1 138 . 1 . 1 24 24 G H1' H 1 5.8036 0.0000 . 1 . . . . . 527 G H1' . 52280 1 139 . 1 . 1 24 24 G C8 C 13 136.1687 0.0000 . 1 . . . . . 527 G C8 . 52280 1 140 . 1 . 1 24 24 G H8 H 1 7.8061 0.0000 . 1 . . . . . 527 G H8 . 52280 1 141 . 1 . 1 25 25 C H3' H 1 4.5913 0.0000 . 1 . . . . . 528 C H3' . 52280 1 142 . 1 . 1 25 25 C H2' H 1 4.6518 0.0000 . 1 . . . . . 528 C H2' . 52280 1 143 . 1 . 1 25 25 C H1' H 1 5.5174 0.0000 . 1 . . . . . 528 C H1' . 52280 1 144 . 1 . 1 25 25 C H5 H 1 5.3128 0.0000 . 1 . . . . . 528 C H5 . 52280 1 145 . 1 . 1 25 25 C C6 C 13 140.5551 0.0000 . 1 . . . . . 528 C C6 . 52280 1 146 . 1 . 1 25 25 C H6 H 1 7.7454 0.0000 . 1 . . . . . 528 C H6 . 52280 1 147 . 1 . 1 26 26 A H3' H 1 4.5847 0.0000 . 1 . . . . . 529 A H3' . 52280 1 148 . 1 . 1 26 26 A H2' H 1 4.6530 0.0000 . 1 . . . . . 529 A H2' . 52280 1 149 . 1 . 1 26 26 A H1' H 1 6.0043 0.0000 . 1 . . . . . 529 A H1' . 52280 1 150 . 1 . 1 26 26 A C8 C 13 139.2794 0.0000 . 1 . . . . . 529 A C8 . 52280 1 151 . 1 . 1 26 26 A H8 H 1 7.9674 0.0000 . 1 . . . . . 529 A H8 . 52280 1 152 . 1 . 1 26 26 A C2 C 13 153.3347 0.0000 . 1 . . . . . 529 A C2 . 52280 1 153 . 1 . 1 26 26 A H2 H 1 7.4406 0.0000 . 1 . . . . . 529 A H2 . 52280 1 154 . 1 . 1 27 27 U H3' H 1 4.4926 0.0000 . 1 . . . . . 530 U H3' . 52280 1 155 . 1 . 1 27 27 U H2' H 1 4.1116 0.0000 . 1 . . . . . 530 U H2' . 52280 1 156 . 1 . 1 27 27 U H1' H 1 5.3704 0.0000 . 1 . . . . . 530 U H1' . 52280 1 157 . 1 . 1 27 27 U H5 H 1 5.4523 0.0000 . 1 . . . . . 530 U H5 . 52280 1 158 . 1 . 1 27 27 U C6 C 13 140.4794 0.0000 . 1 . . . . . 530 U C6 . 52280 1 159 . 1 . 1 27 27 U H6 H 1 7.6627 0.0000 . 1 . . . . . 530 U H6 . 52280 1 160 . 1 . 1 28 28 U H3' H 1 4.5913 0.0000 . 1 . . . . . 531 U H3' . 52280 1 161 . 1 . 1 28 28 U H2' H 1 4.4977 0.0000 . 1 . . . . . 531 U H2' . 52280 1 162 . 1 . 1 28 28 U H1' H 1 5.6227 0.0000 . 1 . . . . . 531 U H1' . 52280 1 163 . 1 . 1 28 28 U H5 H 1 5.6535 0.0000 . 1 . . . . . 531 U H5 . 52280 1 164 . 1 . 1 28 28 U C6 C 13 143.0192 0.0000 . 1 . . . . . 531 U C6 . 52280 1 165 . 1 . 1 28 28 U H6 H 1 8.1102 0.0000 . 1 . . . . . 531 U H6 . 52280 1 166 . 1 . 1 29 29 A H3' H 1 4.7730 0.0000 . 1 . . . . . 532 A H3' . 52280 1 167 . 1 . 1 29 29 A H2' H 1 4.5816 0.0000 . 1 . . . . . 532 A H2' . 52280 1 168 . 1 . 1 29 29 A H1' H 1 6.0828 0.0000 . 1 . . . . . 532 A H1' . 52280 1 169 . 1 . 1 29 29 A C8 C 13 139.6813 0.0000 . 1 . . . . . 532 A C8 . 52280 1 170 . 1 . 1 29 29 A H8 H 1 8.2989 0.0000 . 1 . . . . . 532 A H8 . 52280 1 171 . 1 . 1 29 29 A C2 C 13 153.6690 0.0000 . 1 . . . . . 532 A C2 . 52280 1 172 . 1 . 1 29 29 A H2 H 1 7.2366 0.0000 . 1 . . . . . 532 A H2 . 52280 1 173 . 1 . 1 30 30 C H3' H 1 4.4487 0.0000 . 1 . . . . . 1220 C H3' . 52280 1 174 . 1 . 1 30 30 C H2' H 1 4.1534 0.0000 . 1 . . . . . 1220 C H2' . 52280 1 175 . 1 . 1 30 30 C H1' H 1 5.4706 0.0000 . 1 . . . . . 1220 C H1' . 52280 1 176 . 1 . 1 30 30 C H5 H 1 5.2915 0.0000 . 1 . . . . . 1220 C H5 . 52280 1 177 . 1 . 1 30 30 C C6 C 13 140.8522 0.0000 . 1 . . . . . 1220 C C6 . 52280 1 178 . 1 . 1 30 30 C H6 H 1 7.6377 0.0000 . 1 . . . . . 1220 C H6 . 52280 1 179 . 1 . 1 31 31 C H3' H 1 4.2389 0.0000 . 1 . . . . . 1221 C H3' . 52280 1 180 . 1 . 1 31 31 C H2' H 1 4.0755 0.0000 . 1 . . . . . 1221 C H2' . 52280 1 181 . 1 . 1 31 31 C H1' H 1 5.8291 0.0000 . 1 . . . . . 1221 C H1' . 52280 1 182 . 1 . 1 31 31 C H5 H 1 5.5026 0.0000 . 1 . . . . . 1221 C H5 . 52280 1 183 . 1 . 1 31 31 C C6 C 13 141.6736 0.0000 . 1 . . . . . 1221 C C6 . 52280 1 184 . 1 . 1 31 31 C H6 H 1 7.7089 0.0000 . 1 . . . . . 1221 C H6 . 52280 1 stop_ save_