data_17682 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17682 _Entry.Title ; The 912-888 alternate conformation for helix 27 of E.coli 16S rRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-02 _Entry.Accession_date 2011-06-02 _Entry.Last_release_date 2011-09-01 _Entry.Original_release_date 2011-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'ensemble of 13 low-energy nmr structures' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Meredith Spano . Newby . 17682 2 Nils Walter . G. . 17682 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17682 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 17682 RNA . 17682 rRNA . 17682 'switch helix' . 17682 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17682 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 39 17682 '15N chemical shifts' 8 17682 '1H chemical shifts' 157 17682 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 . . 2011-09-01 2011-06-02 original author . 17682 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LDT 'BMRB Entry Tracking System' 17682 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17682 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21442607 _Citation.Full_citation . _Citation.Title 'Solution structure of an alternate conformation of helix27 from Escherichia coli16S rRNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full Biopolymers _Citation.Journal_volume 95 _Citation.Journal_issue 10 _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 653 _Citation.Page_last 668 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Meredith Newby' Spano . . . 17682 1 2 Nils Walter . G. . 17682 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17682 _Assembly.ID 1 _Assembly.Name 'RNA (31-MER)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (31-MER)' 1 $RNA_(31-MER) A . yes native no no . . . 17682 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(31-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(31-MER) _Entity.Entry_ID 17682 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(31-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGGAGUACGGCCGCAAGGU UAAAACUCCCC ; _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 syn _Entity.Parent_entity_ID . _Entity.Fragment 'Helix 27' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3775.495 _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 . 17682 1 2 2 G . 17682 1 3 3 G . 17682 1 4 4 G . 17682 1 5 5 A . 17682 1 6 6 G . 17682 1 7 7 U . 17682 1 8 8 A . 17682 1 9 9 C . 17682 1 10 10 G . 17682 1 11 11 G . 17682 1 12 12 C . 17682 1 13 13 C . 17682 1 14 14 G . 17682 1 15 15 C . 17682 1 16 16 A . 17682 1 17 17 A . 17682 1 18 18 G . 17682 1 19 19 G . 17682 1 20 20 U . 17682 1 21 21 U . 17682 1 22 22 A . 17682 1 23 23 A . 17682 1 24 24 A . 17682 1 25 25 A . 17682 1 26 26 C . 17682 1 27 27 U . 17682 1 28 28 C . 17682 1 29 29 C . 17682 1 30 30 C . 17682 1 31 31 C . 17682 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 17682 1 . G 2 2 17682 1 . G 3 3 17682 1 . G 4 4 17682 1 . A 5 5 17682 1 . G 6 6 17682 1 . U 7 7 17682 1 . A 8 8 17682 1 . C 9 9 17682 1 . G 10 10 17682 1 . G 11 11 17682 1 . C 12 12 17682 1 . C 13 13 17682 1 . G 14 14 17682 1 . C 15 15 17682 1 . A 16 16 17682 1 . A 17 17 17682 1 . G 18 18 17682 1 . G 19 19 17682 1 . U 20 20 17682 1 . U 21 21 17682 1 . A 22 22 17682 1 . A 23 23 17682 1 . A 24 24 17682 1 . A 25 25 17682 1 . C 26 26 17682 1 . U 27 27 17682 1 . C 28 28 17682 1 . C 29 29 17682 1 . C 30 30 17682 1 . C 31 31 17682 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17682 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(31-MER) . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17682 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17682 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(31-MER) . 'enzymatic semisynthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . 'transcribed using T7 RNA polymerase from a chemically synthesized double-stranded DNA template.' . . 17682 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17682 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Final RNA concentrations for the samples ranged from 0.8 to 1.6 mM, as quantified by UV absorption' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (31-MER)' '[U-99% 13C; U-99% 15N]' . . 1 $RNA_(31-MER) . . . 0.8 1.6 mM . . . . 17682 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17682 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17682 1 4 NaPi 'natural abundance' . . . . . . 10 . . mM . . . . 17682 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 17682 1 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17682 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 17682 _Sample_condition_list.ID 1 _Sample_condition_list.Details '(10 mM NaPi, pH 6.4, 0.1 mM EDTA, 50 mM NaCl' 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' .05 . M 17682 1 pH 6.4 . pH 17682 1 pressure 1 . atm 17682 1 temperature 293 . K 17682 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17682 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17682 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17682 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17682 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17682 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17682 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 17682 1 2 spectrometer_2 Bruker Avance . 600 . . . 17682 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17682 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17682 1 2 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17682 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17682 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17682 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17682 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17682 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 17682 1 H 1 DSS 'methy protons' . . . . ppm 0 external indirect 1 . . . . . . . . . 17682 1 N 15 DSS nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 17682 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17682 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-13C HSQC' . . . 17682 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.71 . . . . . . A 1 G H1 . 17682 1 2 . 1 1 1 1 G H1' H 1 5.810 . . . . . . A 1 G H1' . 17682 1 3 . 1 1 1 1 G H2' H 1 4.890 . . . . . . A 1 G H2' . 17682 1 4 . 1 1 1 1 G H8 H 1 8.107 . . . . . . A 1 G H8 . 17682 1 5 . 1 1 1 1 G C8 C 13 139.822 . . . . . . A 1 G C8 . 17682 1 6 . 1 1 2 2 G H1 H 1 12.54 . . . . . . A 2 G H1 . 17682 1 7 . 1 1 2 2 G H1' H 1 5.622 . . . . . . A 2 G H1' . 17682 1 8 . 1 1 2 2 G H2' H 1 4.407 . . . . . . A 2 G H2' . 17682 1 9 . 1 1 2 2 G H8 H 1 7.518 . . . . . . A 2 G H8 . 17682 1 10 . 1 1 2 2 G H21 H 1 8.410 . . . . . . A 2 G H21 . 17682 1 11 . 1 1 2 2 G C8 C 13 137.297 . . . . . . A 2 G C8 . 17682 1 12 . 1 1 3 3 G C8 C 13 136.443 . . . . . . A 3 G C8 . 17682 1 13 . 1 1 3 3 G H1 H 1 12.49 . . . . . . A 3 G H1 . 17682 1 14 . 1 1 3 3 G H1' H 1 5.786 . . . . . . A 3 G H1' . 17682 1 15 . 1 1 3 3 G H2' H 1 4.598 . . . . . . A 3 G H2' . 17682 1 16 . 1 1 3 3 G H3' H 1 4.457 . . . . . . A 3 G H3' . 17682 1 17 . 1 1 3 3 G H8 H 1 7.205 . . . . . . A 3 G H8 . 17682 1 18 . 1 1 3 3 G H22 H 1 5.345 . . . . . . A 3 G H22 . 17682 1 19 . 1 1 4 4 G C8 C 13 136.653 . . . . . . A 4 G C8 . 17682 1 20 . 1 1 4 4 G H1 H 1 13.35 . . . . . . A 4 G H1 . 17682 1 21 . 1 1 4 4 G H1' H 1 5.736 . . . . . . A 4 G H1' . 17682 1 22 . 1 1 4 4 G H2' H 1 4.592 . . . . . . A 4 G H2' . 17682 1 23 . 1 1 4 4 G H3' H 1 4.452 . . . . . . A 4 G H3' . 17682 1 24 . 1 1 4 4 G H8 H 1 7.109 . . . . . . A 4 G H8 . 17682 1 25 . 1 1 4 4 G H21 H 1 8.217 . . . . . . A 4 G H21 . 17682 1 26 . 1 1 4 4 G H22 H 1 5.682 . . . . . . A 4 G H22 . 17682 1 27 . 1 1 5 5 A H1' H 1 5.936 . . . . . . A 5 A H1' . 17682 1 28 . 1 1 5 5 A H2 H 1 7.449 . . . . . . A 5 A H2 . 17682 1 29 . 1 1 5 5 A H2' H 1 4.407 . . . . . . A 5 A H2' . 17682 1 30 . 1 1 5 5 A H8 H 1 7.631 . . . . . . A 5 A H8 . 17682 1 31 . 1 1 5 5 A H61 H 1 7.787 . . . . . . A 5 A H61 . 17682 1 32 . 1 1 5 5 A H62 H 1 5.483 . . . . . . A 5 A H62 . 17682 1 33 . 1 1 5 5 A C8 C 13 139.792 . . . . . . A 5 A C8 . 17682 1 34 . 1 1 5 5 A C2 C 13 155.124 . . . . . . A 5 A C2 . 17682 1 35 . 1 1 5 5 A N1 N 15 155.124 . . . . . . A 5 A N1 . 17682 1 36 . 1 1 6 6 G C8 C 13 136.341 . . . . . . A 6 G C8 . 17682 1 37 . 1 1 6 6 G H1 H 1 12.19 . . . . . . A 6 G H1 . 17682 1 38 . 1 1 6 6 G H1' H 1 5.545 . . . . . . A 6 G H1' . 17682 1 39 . 1 1 6 6 G H2' H 1 4.330 . . . . . . A 6 G H2' . 17682 1 40 . 1 1 6 6 G H3' H 1 4.301 . . . . . . A 6 G H3' . 17682 1 41 . 1 1 6 6 G H8 H 1 7.049 . . . . . . A 6 G H8 . 17682 1 42 . 1 1 6 6 G H21 H 1 7.868 . . . . . . A 6 G H21 . 17682 1 43 . 1 1 6 6 G H22 H 1 5.715 . . . . . . A 6 G H22 . 17682 1 44 . 1 1 7 7 U C6 C 13 141.716 . . . . . . A 7 U C6 . 17682 1 45 . 1 1 7 7 U H1' H 1 5.587 . . . . . . A 7 U H1' . 17682 1 46 . 1 1 7 7 U H2' H 1 4.231 . . . . . . A 7 U H2' . 17682 1 47 . 1 1 7 7 U H3' H 1 4.319 . . . . . . A 7 U H3' . 17682 1 48 . 1 1 7 7 U H5 H 1 5.001 . . . . . . A 7 U H5 . 17682 1 49 . 1 1 8 8 A C8 C 13 142.176 . . . . . . A 8 A C8 . 17682 1 50 . 1 1 8 8 A C2 C 13 154.956 . . . . . . A 8 A C2 . 17682 1 51 . 1 1 8 8 A N1 N 15 154.956 . . . . . . A 8 A N1 . 17682 1 52 . 1 1 8 8 A H1' H 1 5.749 . . . . . . A 8 A H1' . 17682 1 53 . 1 1 8 8 A H2 H 1 7.567 . . . . . . A 8 A H2 . 17682 1 54 . 1 1 8 8 A H2' H 1 4.617 . . . . . . A 8 A H2' . 17682 1 55 . 1 1 8 8 A H3' H 1 4.354 . . . . . . A 8 A H3' . 17682 1 56 . 1 1 8 8 A H8 H 1 8.098 . . . . . . A 8 A H8 . 17682 1 57 . 1 1 9 9 C C6 C 13 143.436 . . . . . . A 9 C C6 . 17682 1 58 . 1 1 9 9 C H1' H 1 5.881 . . . . . . A 9 C H1' . 17682 1 59 . 1 1 9 9 C H2' H 1 4.493 . . . . . . A 9 C H2' . 17682 1 60 . 1 1 9 9 C H3' H 1 4.820 . . . . . . A 9 C H3' . 17682 1 61 . 1 1 9 9 C H5 H 1 5.686 . . . . . . A 9 C H5 . 17682 1 62 . 1 1 9 9 C H6 H 1 7.779 . . . . . . A 9 C H6 . 17682 1 63 . 1 1 10 10 G C8 C 13 138.888 . . . . . . A 10 G C8 . 17682 1 64 . 1 1 10 10 G H1' H 1 5.668 . . . . . . A 10 G H1' . 17682 1 65 . 1 1 10 10 G H2' H 1 4.894 . . . . . . A 10 G H2' . 17682 1 66 . 1 1 10 10 G H8 H 1 7.894 . . . . . . A 10 G H8 . 17682 1 67 . 1 1 11 11 G C8 C 13 137.228 . . . . . . A 11 G C8 . 17682 1 68 . 1 1 11 11 G H1 H 1 11.57 . . . . . . A 11 G H1 . 17682 1 69 . 1 1 11 11 G H1' H 1 5.620 . . . . . . A 11 G H1' . 17682 1 70 . 1 1 11 11 G H2' H 1 4.195 . . . . . . A 11 G H2' . 17682 1 71 . 1 1 11 11 G H8 H 1 7.517 . . . . . . A 11 G H8 . 17682 1 72 . 1 1 11 11 G H21 H 1 6.458 . . . . . . A 11 G H21 . 17682 1 73 . 1 1 11 11 G H22 H 1 5.286 . . . . . . A 11 G H22 . 17682 1 74 . 1 1 12 12 C C6 C 13 140.756 . . . . . . A 12 C C6 . 17682 1 75 . 1 1 12 12 C H1' H 1 5.507 . . . . . . A 12 C H1' . 17682 1 76 . 1 1 12 12 C H2' H 1 4.154 . . . . . . A 12 C H2' . 17682 1 77 . 1 1 12 12 C H5 H 1 5.346 . . . . . . A 12 C H5 . 17682 1 78 . 1 1 12 12 C H6 H 1 7.547 . . . . . . A 12 C H6 . 17682 1 79 . 1 1 12 12 C H41 H 1 8.421 . . . . . . A 12 C H41 . 17682 1 80 . 1 1 12 12 C H42 H 1 6.960 . . . . . . A 12 C H42 . 17682 1 81 . 1 1 13 13 C C6 C 13 141.082 . . . . . . A 13 C C6 . 17682 1 82 . 1 1 13 13 C H1' H 1 5.725 . . . . . . A 13 C H1' . 17682 1 83 . 1 1 13 13 C H2' H 1 4.234 . . . . . . A 13 C H2' . 17682 1 84 . 1 1 13 13 C H3' H 1 3.978 . . . . . . A 13 C H3' . 17682 1 85 . 1 1 13 13 C H5 H 1 5.461 . . . . . . A 13 C H5 . 17682 1 86 . 1 1 13 13 C H6 H 1 7.662 . . . . . . A 13 C H6 . 17682 1 87 . 1 1 13 13 C H41 H 1 8.240 . . . . . . A 13 C H41 . 17682 1 88 . 1 1 14 14 G C8 C 13 136.984 . . . . . . A 14 G C8 . 17682 1 89 . 1 1 14 14 G H1 H 1 10.60 . . . . . . A 14 G H1 . 17682 1 90 . 1 1 14 14 G H2' H 1 4.512 . . . . . . A 14 G H2' . 17682 1 91 . 1 1 14 14 G H8 H 1 7.601 . . . . . . A 14 G H8 . 17682 1 92 . 1 1 15 15 C C6 C 13 143.834 . . . . . . A 15 C C6 . 17682 1 93 . 1 1 15 15 C H1' H 1 5.554 . . . . . . A 15 C H1' . 17682 1 94 . 1 1 15 15 C H2' H 1 4.372 . . . . . . A 15 C H2' . 17682 1 95 . 1 1 15 15 C H3' H 1 4.216 . . . . . . A 15 C H3' . 17682 1 96 . 1 1 15 15 C H5 H 1 5.624 . . . . . . A 15 C H5 . 17682 1 97 . 1 1 15 15 C H6 H 1 7.754 . . . . . . A 15 C H6 . 17682 1 98 . 1 1 16 16 A C2 C 13 155.314 . . . . . . A 16 A C2 . 17682 1 99 . 1 1 16 16 A N1 N 15 155.214 . . . . . . A 16 A N1 . 17682 1 100 . 1 1 16 16 A C8 C 13 141.687 . . . . . . A 16 A C8 . 17682 1 101 . 1 1 16 16 A H1' H 1 5.578 . . . . . . A 16 A H1' . 17682 1 102 . 1 1 16 16 A H2 H 1 7.888 . . . . . . A 16 A H2 . 17682 1 103 . 1 1 16 16 A H2' H 1 4.285 . . . . . . A 16 A H2' . 17682 1 104 . 1 1 16 16 A H8 H 1 7.995 . . . . . . A 16 A H8 . 17682 1 105 . 1 1 17 17 A C2 C 13 155.617 . . . . . . A 17 A C2 . 17682 1 106 . 1 1 17 17 A N1 N 15 155.617 . . . . . . A 17 A N1 . 17682 1 107 . 1 1 17 17 A C8 C 13 142.101 . . . . . . A 17 A C8 . 17682 1 108 . 1 1 17 17 A H1' H 1 6.028 . . . . . . A 17 A H1' . 17682 1 109 . 1 1 17 17 A H2 H 1 8.007 . . . . . . A 17 A H2 . 17682 1 110 . 1 1 17 17 A H2' H 1 4.512 . . . . . . A 17 A H2' . 17682 1 111 . 1 1 17 17 A H3' H 1 4.454 . . . . . . A 17 A H3' . 17682 1 112 . 1 1 17 17 A H8 H 1 8.226 . . . . . . A 17 A H8 . 17682 1 113 . 1 1 18 18 G C8 C 13 137.802 . . . . . . A 18 G C8 . 17682 1 114 . 1 1 18 18 G H1 H 1 12.46 . . . . . . A 18 G H1 . 17682 1 115 . 1 1 18 18 G H1' H 1 3.834 . . . . . . A 18 G H1' . 17682 1 116 . 1 1 18 18 G H2' H 1 4.392 . . . . . . A 18 G H2' . 17682 1 117 . 1 1 18 18 G H3' H 1 4.154 . . . . . . A 18 G H3' . 17682 1 118 . 1 1 18 18 G H8 H 1 7.756 . . . . . . A 18 G H8 . 17682 1 119 . 1 1 18 18 G H21 H 1 8.455 . . . . . . A 18 G H21 . 17682 1 120 . 1 1 19 19 G C8 C 13 136.477 . . . . . . A 19 G C8 . 17682 1 121 . 1 1 19 19 G H1 H 1 13.35 . . . . . . A 19 G H1 . 17682 1 122 . 1 1 19 19 G H1' H 1 5.730 . . . . . . A 19 G H1' . 17682 1 123 . 1 1 19 19 G H2' H 1 4.358 . . . . . . A 19 G H2' . 17682 1 124 . 1 1 19 19 G H3' H 1 4.572 . . . . . . A 19 G H3' . 17682 1 125 . 1 1 19 19 G H8 H 1 7.123 . . . . . . A 19 G H8 . 17682 1 126 . 1 1 20 20 U C6 C 13 140.781 . . . . . . A 20 U C6 . 17682 1 127 . 1 1 20 20 U H1' H 1 5.405 . . . . . . A 20 U H1' . 17682 1 128 . 1 1 20 20 U H2' H 1 4.254 . . . . . . A 20 U H2' . 17682 1 129 . 1 1 20 20 U H3 H 1 11.77 . . . . . . A 20 U H3 . 17682 1 130 . 1 1 20 20 U H5 H 1 5.339 . . . . . . A 20 U H5 . 17682 1 131 . 1 1 20 20 U H6 H 1 7.591 . . . . . . A 20 U H6 . 17682 1 132 . 1 1 21 21 U C6 C 13 142.980 . . . . . . A 21 U C6 . 17682 1 133 . 1 1 21 21 U H1' H 1 5.616 . . . . . . A 21 U H1' . 17682 1 134 . 1 1 21 21 U H2' H 1 4.133 . . . . . . A 21 U H2' . 17682 1 135 . 1 1 21 21 U H3' H 1 4.638 . . . . . . A 21 U H3' . 17682 1 136 . 1 1 21 21 U H5 H 1 5.541 . . . . . . A 21 U H5 . 17682 1 137 . 1 1 21 21 U H6 H 1 7.804 . . . . . . A 21 U H6 . 17682 1 138 . 1 1 22 22 A C2 C 13 154.931 . . . . . . A 22 A C2 . 17682 1 139 . 1 1 22 22 A N1 N 15 154.931 . . . . . . A 22 A N1 . 17682 1 140 . 1 1 22 22 A C8 C 13 141.612 . . . . . . A 22 A C8 . 17682 1 141 . 1 1 22 22 A H1' H 1 5.652 . . . . . . A 22 A H1' . 17682 1 142 . 1 1 22 22 A H2 H 1 7.388 . . . . . . A 22 A H2 . 17682 1 143 . 1 1 22 22 A H2' H 1 4.419 . . . . . . A 22 A H2' . 17682 1 144 . 1 1 22 22 A H3' H 1 4.599 . . . . . . A 22 A H3' . 17682 1 145 . 1 1 22 22 A H8 H 1 8.044 . . . . . . A 22 A H8 . 17682 1 146 . 1 1 23 23 A C2 C 13 154.214 . . . . . . A 23 A C2 . 17682 1 147 . 1 1 23 23 A N1 N 15 154.214 . . . . . . A 23 A N1 . 17682 1 148 . 1 1 23 23 A C8 C 13 141.223 . . . . . . A 23 A C8 . 17682 1 149 . 1 1 23 23 A H1' H 1 5.409 . . . . . . A 23 A H1' . 17682 1 150 . 1 1 23 23 A H2 H 1 7.510 . . . . . . A 23 A H2 . 17682 1 151 . 1 1 23 23 A H2' H 1 4.423 . . . . . . A 23 A H2' . 17682 1 152 . 1 1 23 23 A H8 H 1 7.851 . . . . . . A 23 A H8 . 17682 1 153 . 1 1 24 24 A C2 C 13 155.727 . . . . . . A 24 A C2 . 17682 1 154 . 1 1 24 24 A N1 N 15 155.727 . . . . . . A 24 A N1 . 17682 1 155 . 1 1 24 24 A C8 C 13 141.123 . . . . . . A 24 A C8 . 17682 1 156 . 1 1 24 24 A H1' H 1 5.780 . . . . . . A 24 A H1' . 17682 1 157 . 1 1 24 24 A H2 H 1 8.049 . . . . . . A 24 A H2 . 17682 1 158 . 1 1 24 24 A H2' H 1 4.280 . . . . . . A 24 A H2' . 17682 1 159 . 1 1 24 24 A H8 H 1 8.261 . . . . . . A 24 A H8 . 17682 1 160 . 1 1 25 25 A C2 C 13 153.868 . . . . . . A 25 A C2 . 17682 1 161 . 1 1 25 25 A N1 N 15 153.868 . . . . . . A 25 A N1 . 17682 1 162 . 1 1 25 25 A C8 C 13 141.140 . . . . . . A 25 A C8 . 17682 1 163 . 1 1 25 25 A H1' H 1 5.755 . . . . . . A 25 A H1' . 17682 1 164 . 1 1 25 25 A H2 H 1 7.496 . . . . . . A 25 A H2 . 17682 1 165 . 1 1 25 25 A H2' H 1 4.341 . . . . . . A 25 A H2' . 17682 1 166 . 1 1 25 25 A H8 H 1 7.954 . . . . . . A 25 A H8 . 17682 1 167 . 1 1 26 26 C C6 C 13 141.615 . . . . . . A 26 C C6 . 17682 1 168 . 1 1 26 26 C H1' H 1 5.373 . . . . . . A 26 C H1' . 17682 1 169 . 1 1 26 26 C H2' H 1 4.195 . . . . . . A 26 C H2' . 17682 1 170 . 1 1 26 26 C H5 H 1 5.225 . . . . . . A 26 C H5 . 17682 1 171 . 1 1 26 26 C H6 H 1 7.532 . . . . . . A 26 C H6 . 17682 1 172 . 1 1 26 26 C H41 H 1 8.300 . . . . . . A 26 C H41 . 17682 1 173 . 1 1 26 26 C H42 H 1 6.845 . . . . . . A 26 C H42 . 17682 1 174 . 1 1 27 27 U C6 C 13 142.325 . . . . . . A 27 U C6 . 17682 1 175 . 1 1 27 27 U H1' H 1 5.524 . . . . . . A 27 U H1' . 17682 1 176 . 1 1 27 27 U H2' H 1 4.456 . . . . . . A 27 U H2' . 17682 1 177 . 1 1 27 27 U H3 H 1 14.07 . . . . . . A 27 U H3 . 17682 1 178 . 1 1 27 27 U H5 H 1 5.303 . . . . . . A 27 U H5 . 17682 1 179 . 1 1 27 27 U H6 H 1 7.902 . . . . . . A 27 U H6 . 17682 1 180 . 1 1 28 28 C C6 C 13 142.764 . . . . . . A 28 C C6 . 17682 1 181 . 1 1 28 28 C H1' H 1 5.558 . . . . . . A 28 C H1' . 17682 1 182 . 1 1 28 28 C H2' H 1 4.305 . . . . . . A 28 C H2' . 17682 1 183 . 1 1 28 28 C H5 H 1 5.622 . . . . . . A 28 C H5 . 17682 1 184 . 1 1 28 28 C H6 H 1 7.897 . . . . . . A 28 C H6 . 17682 1 185 . 1 1 29 29 C C6 C 13 142.035 . . . . . . A 29 C C6 . 17682 1 186 . 1 1 29 29 C H1' H 1 5.418 . . . . . . A 29 C H1' . 17682 1 187 . 1 1 29 29 C H2' H 1 4.503 . . . . . . A 29 C H2' . 17682 1 188 . 1 1 29 29 C H3' H 1 4.459 . . . . . . A 29 C H3' . 17682 1 189 . 1 1 29 29 C H5 H 1 5.439 . . . . . . A 29 C H5 . 17682 1 190 . 1 1 29 29 C H6 H 1 7.805 . . . . . . A 29 C H6 . 17682 1 191 . 1 1 29 29 C H41 H 1 8.322 . . . . . . A 29 C H41 . 17682 1 192 . 1 1 29 29 C H42 H 1 6.833 . . . . . . A 29 C H42 . 17682 1 193 . 1 1 30 30 C C6 C 13 141.086 . . . . . . A 30 C C6 . 17682 1 194 . 1 1 30 30 C H1' H 1 5.615 . . . . . . A 30 C H1' . 17682 1 195 . 1 1 30 30 C H2' H 1 4.098 . . . . . . A 30 C H2' . 17682 1 196 . 1 1 30 30 C H3' H 1 4.344 . . . . . . A 30 C H3' . 17682 1 197 . 1 1 30 30 C H5 H 1 5.374 . . . . . . A 30 C H5 . 17682 1 198 . 1 1 30 30 C H6 H 1 7.646 . . . . . . A 30 C H6 . 17682 1 199 . 1 1 31 31 C C6 C 13 142.333 . . . . . . A 31 C C6 . 17682 1 200 . 1 1 31 31 C H1' H 1 5.507 . . . . . . A 31 C H1' . 17682 1 201 . 1 1 31 31 C H2' H 1 4.510 . . . . . . A 31 C H2' . 17682 1 202 . 1 1 31 31 C H3' H 1 4.285 . . . . . . A 31 C H3' . 17682 1 203 . 1 1 31 31 C H5 H 1 5.603 . . . . . . A 31 C H5 . 17682 1 204 . 1 1 31 31 C H6 H 1 7.674 . . . . . . A 31 C H6 . 17682 1 stop_ save_