data_6652 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6652 _Entry.Title ; RNA helical packing in solution: NMR structure of a 30 kDa GAAA tetraloop receptor complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-01 _Entry.Accession_date 2005-06-01 _Entry.Last_release_date 2005-09-08 _Entry.Original_release_date 2005-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details '30 kDa homodimer RNA containing two identical GAAA tetraloop 11-nt receptor interactions' _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 Jared Davis . H. . 6652 2 Marco Tonelli . . . 6652 3 Lincoln Scott . G. . 6652 4 Williamson James . R. . 6652 5 Samuel Butcher . E. . 6652 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6652 RDCs 1 6652 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 88 6652 '15N chemical shifts' 23 6652 '1H chemical shifts' 239 6652 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 . . 2005-09-08 2005-06-01 original author . 6652 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ADT 'BMRB Entry Tracking System' 6652 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6652 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16002091 _Citation.Full_citation . _Citation.Title ; RNA Helical Packing in Solution: NMR Structure of a 30kDa GAAA Tetraloop-Receptor Complex. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 351 _Citation.Journal_issue 2 _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 371 _Citation.Page_last 382 _Citation.Year 2005 _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 Jared Davis . H. . 6652 1 2 Marco Tonelli . . . 6652 1 3 Lincoln Scott . G. . 6652 1 4 Luc Jaeger . . . 6652 1 5 James Williamson . R. . 6652 1 6 Samuel Butcher . E. . 6652 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6652 _Assembly.ID 1 _Assembly.Name 'GAAA tetraloop/Recptor homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 30000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Homodimer RNA consisting with two identical tetraloop-receptor interactions' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'RNA RNA homodimer' 6652 1 stop_ 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 . 1 $GAAA_tetraloop_11-nt_receptor_RNA . . yes native no no . . . 6652 1 2 . 1 $GAAA_tetraloop_11-nt_receptor_RNA . . yes native no no . . . 6652 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GAAA_tetraloop_11-nt_receptor_RNA _Entity.Sf_category entity _Entity.Sf_framecode GAAA_tetraloop_11-nt_receptor_RNA _Entity.Entry_ID 6652 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'GAAA tetraloop 11-nt receptor RNA' _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 ; GGGAUAUGGAAGAACCGGGG AAACUUGGUUCUUCCUAAGU CCU ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 6652 1 2 . G . 6652 1 3 . G . 6652 1 4 . A . 6652 1 5 . U . 6652 1 6 . A . 6652 1 7 . U . 6652 1 8 . G . 6652 1 9 . G . 6652 1 10 . A . 6652 1 11 . A . 6652 1 12 . G . 6652 1 13 . A . 6652 1 14 . A . 6652 1 15 . C . 6652 1 16 . C . 6652 1 17 . G . 6652 1 18 . G . 6652 1 19 . G . 6652 1 20 . G . 6652 1 21 . A . 6652 1 22 . A . 6652 1 23 . A . 6652 1 24 . C . 6652 1 25 . U . 6652 1 26 . U . 6652 1 27 . G . 6652 1 28 . G . 6652 1 29 . U . 6652 1 30 . U . 6652 1 31 . C . 6652 1 32 . U . 6652 1 33 . U . 6652 1 34 . C . 6652 1 35 . C . 6652 1 36 . U . 6652 1 37 . A . 6652 1 38 . A . 6652 1 39 . G . 6652 1 40 . U . 6652 1 41 . C . 6652 1 42 . C . 6652 1 43 . U . 6652 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 6652 1 . G 2 2 6652 1 . G 3 3 6652 1 . A 4 4 6652 1 . U 5 5 6652 1 . A 6 6 6652 1 . U 7 7 6652 1 . G 8 8 6652 1 . G 9 9 6652 1 . A 10 10 6652 1 . A 11 11 6652 1 . G 12 12 6652 1 . A 13 13 6652 1 . A 14 14 6652 1 . C 15 15 6652 1 . C 16 16 6652 1 . G 17 17 6652 1 . G 18 18 6652 1 . G 19 19 6652 1 . G 20 20 6652 1 . A 21 21 6652 1 . A 22 22 6652 1 . A 23 23 6652 1 . C 24 24 6652 1 . U 25 25 6652 1 . U 26 26 6652 1 . G 27 27 6652 1 . G 28 28 6652 1 . U 29 29 6652 1 . U 30 30 6652 1 . C 31 31 6652 1 . U 32 32 6652 1 . U 33 33 6652 1 . C 34 34 6652 1 . C 35 35 6652 1 . U 36 36 6652 1 . A 37 37 6652 1 . A 38 38 6652 1 . G 39 39 6652 1 . U 40 40 6652 1 . C 41 41 6652 1 . C 42 42 6652 1 . U 43 43 6652 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 6652 _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 $GAAA_tetraloop_11-nt_receptor_RNA . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 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 6652 _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 $GAAA_tetraloop_11-nt_receptor_RNA . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6652 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'GAAA tetraloop 11-nt receptor RNA' '[U-95% 13C; U-95% 15N]' 1 $assembly 1 $GAAA_tetraloop_11-nt_receptor_RNA . . 1.2 . . mM . . . . 6652 1 2 'pf1 phage' . . . . . . . 17 . . mM 2 . . . 6652 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6652 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 pH 6652 1 temperature 283 1 K 6652 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 6652 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 303 1 K 6652 2 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 6652 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6652 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6652 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 6652 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 6652 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_6 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_6 _NMR_spectrometer.Entry_ID 6652 _NMR_spectrometer.ID 6 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6652 _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 '1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 2 '1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 3 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 4 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 5 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 6 HNN-COSY no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 7 '1H-13C-1H NOESY HMQC' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 8 'F2f 13C 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 9 'F1f F2e 13C 1H-1H NOESY F1e F2e 13C 1H-1H NOESY F1f 13C 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6652 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6652 _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 protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6652 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6652 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6652 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6652 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6652 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 10.677 0.011 . 1 . . . . 1 GUA H1 . 6652 1 2 . 1 1 1 1 G H1' H 1 5.833 0.002 . 1 . . . . 1 GUA H1' . 6652 1 3 . 1 1 1 1 G H2' H 1 4.955 0.001 . 1 . . . . 1 GUA H2' . 6652 1 4 . 1 1 1 1 G H21 H 1 6.447 0.000 . 1 . . . . 1 GUA H21 . 6652 1 5 . 1 1 1 1 G H22 H 1 6.451 0.000 . 1 . . . . 1 GUA H21-2 . 6652 1 6 . 1 1 1 1 G H3' H 1 4.763 0.002 . 1 . . . . 1 GUA H3' . 6652 1 7 . 1 1 1 1 G H4' H 1 4.532 0.001 . 1 . . . . 1 GUA H4' . 6652 1 8 . 1 1 1 1 G H8 H 1 8.182 0.011 . 1 . . . . 1 GUA H8 . 6652 1 9 . 1 1 1 1 G N1 N 15 144.355 0.000 . 1 . . . . 1 GUA N1 . 6652 1 10 . 1 1 2 2 G C1' C 13 91.566 0.039 . 1 . . . . 2 GUA C1' . 6652 1 11 . 1 1 2 2 G H1 H 1 12.818 0.014 . 1 . . . . 2 GUA H1 . 6652 1 12 . 1 1 2 2 G H1' H 1 5.833 0.015 . 1 . . . . 2 GUA H1' . 6652 1 13 . 1 1 2 2 G H2' H 1 4.661 0.001 . 1 . . . . 2 GUA H2' . 6652 1 14 . 1 1 2 2 G H8 H 1 7.611 0.005 . 1 . . . . 2 GUA H8 . 6652 1 15 . 1 1 2 2 G N1 N 15 147.238 0.000 . 1 . . . . 2 GUA N1 . 6652 1 16 . 1 1 3 3 G C1' C 13 91.962 0.000 . 1 . . . . 3 GUA C1' . 6652 1 17 . 1 1 3 3 G C8 C 13 135.924 0.000 . 1 . . . . 3 GUA C8 . 6652 1 18 . 1 1 3 3 G H1 H 1 12.331 0.010 . 1 . . . . 3 GUA H1 . 6652 1 19 . 1 1 3 3 G H1' H 1 5.724 0.008 . 1 . . . . 3 GUA H1' . 6652 1 20 . 1 1 3 3 G H2' H 1 4.535 0.002 . 1 . . . . 3 GUA H2' . 6652 1 21 . 1 1 3 3 G H8 H 1 7.215 0.017 . 1 . . . . 3 GUA H8 . 6652 1 22 . 1 1 3 3 G N1 N 15 146.910 0.000 . 1 . . . . 3 GUA N1 . 6652 1 23 . 1 1 4 4 A C1' C 13 92.155 0.000 . 1 . . . . 4 ADE C1' . 6652 1 24 . 1 1 4 4 A C2 C 13 153.900 0.000 . 1 . . . . 4 ADE C2 . 6652 1 25 . 1 1 4 4 A H1' H 1 5.877 0.002 . 1 . . . . 4 ADE H1' . 6652 1 26 . 1 1 4 4 A H2 H 1 7.736 0.024 . 1 . . . . 4 ADE H2 . 6652 1 27 . 1 1 4 4 A H2' H 1 4.433 0.001 . 1 . . . . 4 ADE H2' . 6652 1 28 . 1 1 4 4 A H61 H 1 7.909 0.004 . 1 . . . . 4 ADE H61 . 6652 1 29 . 1 1 4 4 A H62 H 1 6.275 0.008 . 1 . . . . 4 ADE H62 . 6652 1 30 . 1 1 4 4 A H8 H 1 7.538 0.000 . 1 . . . . 4 ADE H8 . 6652 1 31 . 1 1 5 5 U C1' C 13 92.612 0.000 . 1 . . . . 5 URI C1' . 6652 1 32 . 1 1 5 5 U C5 C 13 101.182 0.000 . 1 . . . . 5 URI C5 . 6652 1 33 . 1 1 5 5 U C6 C 13 140.755 0.000 . 1 . . . . 5 URI C6 . 6652 1 34 . 1 1 5 5 U H1' H 1 5.429 0.008 . 1 . . . . 5 URI H1' . 6652 1 35 . 1 1 5 5 U H2' H 1 4.679 0.008 . 1 . . . . 5 URI H2' . 6652 1 36 . 1 1 5 5 U H3 H 1 11.563 0.007 . 1 . . . . 5 URI H3 . 6652 1 37 . 1 1 5 5 U H5 H 1 4.799 0.013 . 1 . . . . 5 URI H5 . 6652 1 38 . 1 1 5 5 U H6 H 1 7.350 0.002 . 1 . . . . 5 URI H6 . 6652 1 39 . 1 1 5 5 U N3 N 15 156.584 0.000 . 1 . . . . 5 URI N3 . 6652 1 40 . 1 1 6 6 A C1' C 13 85.611 0.000 . 1 . . . . 6 ADE C1' . 6652 1 41 . 1 1 6 6 A C2 C 13 154.989 0.000 . 1 . . . . 6 ADE C2 . 6652 1 42 . 1 1 6 6 A C8 C 13 140.096 0.000 . 1 . . . . 6 ADE C8 . 6652 1 43 . 1 1 6 6 A H1' H 1 5.956 0.002 . 1 . . . . 6 ADE H1' . 6652 1 44 . 1 1 6 6 A H2 H 1 7.612 0.020 . 1 . . . . 6 ADE H2 . 6652 1 45 . 1 1 6 6 A H2' H 1 5.026 0.025 . 1 . . . . 6 ADE H2' . 6652 1 46 . 1 1 6 6 A H3' H 1 5.028 0.026 . 1 . . . . 6 ADE H3' . 6652 1 47 . 1 1 6 6 A H4' H 1 4.688 0.000 . 1 . . . . 6 ADE H4' . 6652 1 48 . 1 1 6 6 A H61 H 1 9.070 0.003 . 1 . . . . 6 ADE H61 . 6652 1 49 . 1 1 6 6 A H62 H 1 6.811 0.018 . 1 . . . . 6 ADE H62 . 6652 1 50 . 1 1 6 6 A H8 H 1 8.041 0.001 . 1 . . . . 6 ADE H8 . 6652 1 51 . 1 1 7 7 U C1' C 13 91.183 0.000 . 1 . . . . 7 URI C1' . 6652 1 52 . 1 1 7 7 U C5 C 13 104.041 0.010 . 1 . . . . 7 URI C5 . 6652 1 53 . 1 1 7 7 U C6 C 13 145.025 0.000 . 1 . . . . 7 URI C6 . 6652 1 54 . 1 1 7 7 U H1' H 1 6.130 0.017 . 1 . . . . 7 URI H1' . 6652 1 55 . 1 1 7 7 U H2' H 1 4.858 0.003 . 1 . . . . 7 URI H2' . 6652 1 56 . 1 1 7 7 U H3' H 1 5.014 0.002 . 1 . . . . 7 URI H3' . 6652 1 57 . 1 1 7 7 U H5 H 1 6.058 0.011 . 1 . . . . 7 URI H5 . 6652 1 58 . 1 1 7 7 U H6 H 1 8.077 0.006 . 1 . . . . 7 URI H6 . 6652 1 59 . 1 1 8 8 G C1' C 13 90.520 0.000 . 1 . . . . 8 GUA C1' . 6652 1 60 . 1 1 8 8 G C8 C 13 136.652 0.000 . 1 . . . . 8 GUA C8 . 6652 1 61 . 1 1 8 8 G H1 H 1 12.389 0.004 . 1 . . . . 8 GUA H1 . 6652 1 62 . 1 1 8 8 G H1' H 1 6.116 0.006 . 1 . . . . 8 GUA H1' . 6652 1 63 . 1 1 8 8 G H2' H 1 5.015 0.002 . 1 . . . . 8 GUA H2' . 6652 1 64 . 1 1 8 8 G H21 H 1 8.870 0.003 . 1 . . . . 8 GUA H21 . 6652 1 65 . 1 1 8 8 G H22 H 1 8.313 0.002 . 1 . . . . 8 GUA H22 . 6652 1 66 . 1 1 8 8 G H8 H 1 7.572 0.017 . 1 . . . . 8 GUA H8 . 6652 1 67 . 1 1 8 8 G N1 N 15 146.561 0.000 . 1 . . . . 8 GUA N1 . 6652 1 68 . 1 1 9 9 G C1' C 13 89.215 0.000 . 1 . . . . 9 GUA C1' . 6652 1 69 . 1 1 9 9 G C8 C 13 136.141 0.000 . 1 . . . . 9 GUA C8 . 6652 1 70 . 1 1 9 9 G H1 H 1 12.699 0.011 . 1 . . . . 9 GUA H1 . 6652 1 71 . 1 1 9 9 G H1' H 1 5.665 0.021 . 1 . . . . 9 GUA H1' . 6652 1 72 . 1 1 9 9 G H2' H 1 4.388 0.009 . 1 . . . . 9 GUA H2' . 6652 1 73 . 1 1 9 9 G H21 H 1 8.013 0.000 . 1 . . . . 9 GUA H21 . 6652 1 74 . 1 1 9 9 G H22 H 1 5.924 0.000 . 1 . . . . 9 GUA H22 . 6652 1 75 . 1 1 9 9 G H8 H 1 6.809 0.017 . 1 . . . . 9 GUA H8 . 6652 1 76 . 1 1 9 9 G N1 N 15 147.980 0.000 . 1 . . . . 9 GUA N1 . 6652 1 77 . 1 1 10 10 A C1' C 13 92.028 0.000 . 1 . . . . 10 ADE C1' . 6652 1 78 . 1 1 10 10 A C2 C 13 152.915 0.000 . 1 . . . . 10 ADE C2 . 6652 1 79 . 1 1 10 10 A C8 C 13 138.961 0.000 . 1 . . . . 10 ADE C8 . 6652 1 80 . 1 1 10 10 A H1' H 1 6.028 0.001 . 1 . . . . 10 ADE H1' . 6652 1 81 . 1 1 10 10 A H2 H 1 7.096 0.004 . 1 . . . . 10 ADE H2 . 6652 1 82 . 1 1 10 10 A H2' H 1 4.567 0.001 . 1 . . . . 10 ADE H2' . 6652 1 83 . 1 1 10 10 A H61 H 1 7.830 0.005 . 1 . . . . 10 ADE H61 . 6652 1 84 . 1 1 10 10 A H62 H 1 6.406 0.019 . 1 . . . . 10 ADE H62 . 6652 1 85 . 1 1 10 10 A H8 H 1 7.795 0.012 . 1 . . . . 10 ADE H8 . 6652 1 86 . 1 1 11 11 A C1' C 13 92.119 0.000 . 1 . . . . 11 ADE C1' . 6652 1 87 . 1 1 11 11 A C2 C 13 152.945 0.005 . 1 . . . . 11 ADE C2 . 6652 1 88 . 1 1 11 11 A C8 C 13 138.987 0.000 . 1 . . . . 11 ADE C8 . 6652 1 89 . 1 1 11 11 A H1' H 1 5.903 0.004 . 1 . . . . 11 ADE H1' . 6652 1 90 . 1 1 11 11 A H2 H 1 7.343 0.020 . 1 . . . . 11 ADE H2 . 6652 1 91 . 1 1 11 11 A H2' H 1 4.557 0.001 . 1 . . . . 11 ADE H2' . 6652 1 92 . 1 1 11 11 A H61 H 1 7.896 0.008 . 1 . . . . 11 ADE H61 . 6652 1 93 . 1 1 11 11 A H62 H 1 6.444 0.015 . 1 . . . . 11 ADE H62 . 6652 1 94 . 1 1 11 11 A H8 H 1 7.722 0.028 . 1 . . . . 11 ADE H8 . 6652 1 95 . 1 1 12 12 G C8 C 13 135.678 0.000 . 1 . . . . 12 GUA C8 . 6652 1 96 . 1 1 12 12 G H1 H 1 12.566 0.004 . 1 . . . . 12 GUA H1 . 6652 1 97 . 1 1 12 12 G H1' H 1 5.589 0.011 . 1 . . . . 12 GUA H1' . 6652 1 98 . 1 1 12 12 G H2' H 1 4.384 0.017 . 1 . . . . 12 GUA H2' . 6652 1 99 . 1 1 12 12 G H21 H 1 7.895 0.000 . 1 . . . . 12 GUA H21 . 6652 1 100 . 1 1 12 12 G H22 H 1 6.015 0.000 . 1 . . . . 12 GUA H22 . 6652 1 101 . 1 1 12 12 G H8 H 1 7.155 0.014 . 1 . . . . 12 GUA H8 . 6652 1 102 . 1 1 12 12 G N1 N 15 146.782 0.000 . 1 . . . . 12 GUA N1 . 6652 1 103 . 1 1 13 13 A C1' C 13 89.775 0.000 . 1 . . . . 13 ADE C1' . 6652 1 104 . 1 1 13 13 A C2 C 13 152.941 0.015 . 1 . . . . 13 ADE C2 . 6652 1 105 . 1 1 13 13 A H1' H 1 5.848 0.005 . 1 . . . . 13 ADE H1' . 6652 1 106 . 1 1 13 13 A H2 H 1 7.159 0.016 . 1 . . . . 13 ADE H2 . 6652 1 107 . 1 1 13 13 A H2' H 1 4.370 0.001 . 1 . . . . 13 ADE H2' . 6652 1 108 . 1 1 13 13 A H61 H 1 8.002 0.004 . 1 . . . . 13 ADE H61 . 6652 1 109 . 1 1 13 13 A H62 H 1 6.418 0.000 . 1 . . . . 13 ADE H62 . 6652 1 110 . 1 1 13 13 A H8 H 1 7.704 0.018 . 1 . . . . 13 ADE H8 . 6652 1 111 . 1 1 13 13 A C8 C 13 138.996 0.000 . 1 . . . . 13 ADE C8 . 6652 1 112 . 1 1 14 14 A C1' C 13 90.527 0.000 . 1 . . . . 14 ADE C1' . 6652 1 113 . 1 1 14 14 A C2 C 13 153.900 0.000 . 1 . . . . 14 ADE C2 . 6652 1 114 . 1 1 14 14 A C8 C 13 138.786 0.000 . 1 . . . . 14 ADE C8 . 6652 1 115 . 1 1 14 14 A H1' H 1 5.928 0.001 . 1 . . . . 14 ADE H1' . 6652 1 116 . 1 1 14 14 A H2 H 1 7.735 0.027 . 1 . . . . 14 ADE H2 . 6652 1 117 . 1 1 14 14 A H2' H 1 4.299 0.000 . 1 . . . . 14 ADE H2' . 6652 1 118 . 1 1 14 14 A H61 H 1 8.266 0.000 . 1 . . . . 14 ADE H61 . 6652 1 119 . 1 1 14 14 A H62 H 1 6.536 0.000 . 1 . . . . 14 ADE H62 . 6652 1 120 . 1 1 14 14 A H8 H 1 7.848 0.030 . 1 . . . . 14 ADE H8 . 6652 1 121 . 1 1 15 15 C C1' C 13 92.349 0.000 . 1 . . . . 15 CYT C1' . 6652 1 122 . 1 1 15 15 C C5 C 13 95.878 0.000 . 1 . . . . 15 CYT C5 . 6652 1 123 . 1 1 15 15 C C6 C 13 141.404 0.000 . 1 . . . . 15 CYT C6 . 6652 1 124 . 1 1 15 15 C H1' H 1 5.388 0.001 . 1 . . . . 15 CYT H1' . 6652 1 125 . 1 1 15 15 C H2' H 1 4.089 0.003 . 1 . . . . 15 CYT H2' . 6652 1 126 . 1 1 15 15 C H41 H 1 8.290 0.000 . 1 . . . . 15 CYT H41 . 6652 1 127 . 1 1 15 15 C H42 H 1 6.924 0.002 . 1 . . . . 15 CYT H42 . 6652 1 128 . 1 1 15 15 C H5 H 1 5.173 0.003 . 1 . . . . 15 CYT H5 . 6652 1 129 . 1 1 15 15 C H6 H 1 7.493 0.020 . 1 . . . . 15 CYT H6 . 6652 1 130 . 1 1 16 16 C C5 C 13 96.169 0.000 . 1 . . . . 16 CYT C5 . 6652 1 131 . 1 1 16 16 C C6 C 13 141.398 0.000 . 1 . . . . 16 CYT C6 . 6652 1 132 . 1 1 16 16 C H1' H 1 5.593 0.004 . 1 . . . . 16 CYT H1' . 6652 1 133 . 1 1 16 16 C H2' H 1 4.538 0.002 . 1 . . . . 16 CYT H2' . 6652 1 134 . 1 1 16 16 C H41 H 1 8.441 0.000 . 1 . . . . 16 CYT H41 . 6652 1 135 . 1 1 16 16 C H42 H 1 6.749 0.000 . 1 . . . . 16 CYT H42 . 6652 1 136 . 1 1 16 16 C H5 H 1 5.432 0.004 . 1 . . . . 16 CYT H5 . 6652 1 137 . 1 1 16 16 C H6 H 1 7.668 0.002 . 1 . . . . 16 CYT H6 . 6652 1 138 . 1 1 17 17 G C1' C 13 91.822 0.000 . 1 . . . . 17 GUA C1' . 6652 1 139 . 1 1 17 17 G H1 H 1 10.321 0.003 . 1 . . . . 17 GUA H1 . 6652 1 140 . 1 1 17 17 G H1' H 1 5.734 0.007 . 1 . . . . 17 GUA H1' . 6652 1 141 . 1 1 17 17 G H2' H 1 4.573 0.006 . 1 . . . . 17 GUA H2' . 6652 1 142 . 1 1 17 17 G H22 H 1 5.713 0.004 . 1 . . . . 17 GUA H21-2 . 6652 1 143 . 1 1 17 17 G H8 H 1 7.459 0.010 . 1 . . . . 17 GUA H8 . 6652 1 144 . 1 1 17 17 G N1 N 15 143.249 0.000 . 1 . . . . 17 GUA N1 . 6652 1 145 . 1 1 18 18 G C1' C 13 91.328 0.000 . 1 . . . . 18 GUA C1' . 6652 1 146 . 1 1 18 18 G C8 C 13 135.964 0.000 . 1 . . . . 18 GUA C8 . 6652 1 147 . 1 1 18 18 G H1 H 1 10.863 0.003 . 1 . . . . 18 GUA H1 . 6652 1 148 . 1 1 18 18 G H1' H 1 5.714 0.012 . 1 . . . . 18 GUA H1' . 6652 1 149 . 1 1 18 18 G H2' H 1 4.533 0.001 . 1 . . . . 18 GUA H2' . 6652 1 150 . 1 1 18 18 G H21 H 1 6.598 0.000 . 1 . . . . 18 GUA H21 . 6652 1 151 . 1 1 18 18 G H22 H 1 6.582 0.000 . 1 . . . . 18 GUA H21-2 . 6652 1 152 . 1 1 18 18 G H8 H 1 6.956 0.007 . 1 . . . . 18 GUA H8 . 6652 1 153 . 1 1 18 18 G N1 N 15 143.376 0.000 . 1 . . . . 18 GUA N1 . 6652 1 154 . 1 1 19 19 G C1' C 13 91.697 0.000 . 1 . . . . 19 GUA C1' . 6652 1 155 . 1 1 19 19 G C8 C 13 135.309 0.000 . 1 . . . . 19 GUA C8 . 6652 1 156 . 1 1 19 19 G H1 H 1 13.312 0.005 . 1 . . . . 19 GUA H1 . 6652 1 157 . 1 1 19 19 G H1' H 1 5.760 0.009 . 1 . . . . 19 GUA H1' . 6652 1 158 . 1 1 19 19 G H2' H 1 4.504 0.001 . 1 . . . . 19 GUA H2' . 6652 1 159 . 1 1 19 19 G H21 H 1 9.019 0.008 . 1 . . . . 19 GUA H21 . 6652 1 160 . 1 1 19 19 G H22 H 1 6.656 0.004 . 1 . . . . 19 GUA H22 . 6652 1 161 . 1 1 19 19 G H8 H 1 6.960 0.006 . 1 . . . . 19 GUA H8 . 6652 1 162 . 1 1 19 19 G N1 N 15 148.363 0.000 . 1 . . . . 19 GUA N1 . 6652 1 163 . 1 1 20 20 G C1' C 13 92.671 0.000 . 1 . . . . 20 GUA C1' . 6652 1 164 . 1 1 20 20 G C8 C 13 135.912 0.000 . 1 . . . . 20 GUA C8 . 6652 1 165 . 1 1 20 20 G H1 H 1 11.287 0.003 . 1 . . . . 20 GUA H1 . 6652 1 166 . 1 1 20 20 G H1' H 1 5.593 0.015 . 1 . . . . 20 GUA H1' . 6652 1 167 . 1 1 20 20 G H2' H 1 4.197 0.003 . 1 . . . . 20 GUA H2' . 6652 1 168 . 1 1 20 20 G H21 H 1 8.333 0.003 . 1 . . . . 20 GUA H21 . 6652 1 169 . 1 1 20 20 G H22 H 1 6.852 0.000 . 1 . . . . 20 GUA H22 . 6652 1 170 . 1 1 20 20 G H8 H 1 7.294 0.023 . 1 . . . . 20 GUA H8 . 6652 1 171 . 1 1 20 20 G N1 N 15 146.520 0.000 . 1 . . . . 20 GUA N1 . 6652 1 172 . 1 1 21 21 A C1' C 13 92.657 0.000 . 1 . . . . 21 ADE C1' . 6652 1 173 . 1 1 21 21 A C2 C 13 152.145 0.000 . 1 . . . . 21 ADE C2 . 6652 1 174 . 1 1 21 21 A C8 C 13 142.195 0.000 . 1 . . . . 21 ADE C8 . 6652 1 175 . 1 1 21 21 A H1' H 1 5.580 0.007 . 1 . . . . 21 ADE H1' . 6652 1 176 . 1 1 21 21 A H2 H 1 6.935 0.003 . 1 . . . . 21 ADE H2 . 6652 1 177 . 1 1 21 21 A H2' H 1 4.724 0.001 . 1 . . . . 21 ADE H2' . 6652 1 178 . 1 1 21 21 A H8 H 1 8.505 0.012 . 1 . . . . 21 ADE H8 . 6652 1 179 . 1 1 22 22 A C1' C 13 92.814 0.000 . 1 . . . . 22 ADE C1' . 6652 1 180 . 1 1 22 22 A C2 C 13 156.652 0.023 . 1 . . . . 22 ADE C2 . 6652 1 181 . 1 1 22 22 A C8 C 13 140.576 0.000 . 1 . . . . 22 ADE C8 . 6652 1 182 . 1 1 22 22 A H1' H 1 5.521 0.004 . 1 . . . . 22 ADE H1' . 6652 1 183 . 1 1 22 22 A H2 H 1 7.863 0.028 . 1 . . . . 22 ADE H2 . 6652 1 184 . 1 1 22 22 A H2' H 1 4.279 0.001 . 1 . . . . 22 ADE H2' . 6652 1 185 . 1 1 22 22 A H8 H 1 8.007 0.010 . 1 . . . . 22 ADE H8 . 6652 1 186 . 1 1 23 23 A C1' C 13 91.564 0.000 . 1 . . . . 23 ADE C1' . 6652 1 187 . 1 1 23 23 A C2 C 13 157.746 0.004 . 1 . . . . 23 ADE C2 . 6652 1 188 . 1 1 23 23 A C8 C 13 141.828 0.000 . 1 . . . . 23 ADE C8 . 6652 1 189 . 1 1 23 23 A H1' H 1 5.710 0.004 . 1 . . . . 23 ADE H1' . 6652 1 190 . 1 1 23 23 A H2 H 1 8.681 0.021 . 1 . . . . 23 ADE H2 . 6652 1 191 . 1 1 23 23 A H2' H 1 4.457 0.002 . 1 . . . . 23 ADE H2' . 6652 1 192 . 1 1 23 23 A H8 H 1 8.325 0.024 . 1 . . . . 23 ADE H8 . 6652 1 193 . 1 1 24 24 C C1' C 13 93.190 0.000 . 1 . . . . 24 CYT C1' . 6652 1 194 . 1 1 24 24 C C5 C 13 97.811 0.000 . 1 . . . . 24 CYT C5 . 6652 1 195 . 1 1 24 24 C H1' H 1 3.282 0.022 . 1 . . . . 24 CYT H1' . 6652 1 196 . 1 1 24 24 C H2' H 1 4.418 0.015 . 1 . . . . 24 CYT H2' . 6652 1 197 . 1 1 24 24 C H3' H 1 3.910 0.002 . 1 . . . . 24 CYT H3' . 6652 1 198 . 1 1 24 24 C H4' H 1 4.253 0.004 . 1 . . . . 24 CYT H4' . 6652 1 199 . 1 1 24 24 C H41 H 1 8.573 0.003 . 1 . . . . 24 CYT H41 . 6652 1 200 . 1 1 24 24 C H42 H 1 7.093 0.008 . 1 . . . . 24 CYT H42 . 6652 1 201 . 1 1 24 24 C H5 H 1 6.093 0.026 . 1 . . . . 24 CYT H5 . 6652 1 202 . 1 1 24 24 C H6 H 1 7.693 0.002 . 1 . . . . 24 CYT H6 . 6652 1 203 . 1 1 25 25 U C1' C 13 92.802 0.000 . 1 . . . . 25 URI C1' . 6652 1 204 . 1 1 25 25 U C5 C 13 103.077 0.000 . 1 . . . . 25 URI C5 . 6652 1 205 . 1 1 25 25 U H1' H 1 5.492 0.009 . 1 . . . . 25 URI H1' . 6652 1 206 . 1 1 25 25 U H2' H 1 4.179 0.008 . 1 . . . . 25 URI H2' . 6652 1 207 . 1 1 25 25 U H3 H 1 11.624 0.005 . 1 . . . . 25 URI H3 . 6652 1 208 . 1 1 25 25 U H5 H 1 5.624 0.007 . 1 . . . . 25 URI H5 . 6652 1 209 . 1 1 25 25 U H6 H 1 8.023 0.005 . 1 . . . . 25 URI H6 . 6652 1 210 . 1 1 25 25 U N3 N 15 157.774 0.000 . 1 . . . . 25 URI N3 . 6652 1 211 . 1 1 26 26 U C1' C 13 92.405 0.000 . 1 . . . . 26 URI C1' . 6652 1 212 . 1 1 26 26 U H1' H 1 5.643 0.016 . 1 . . . . 26 URI H1' . 6652 1 213 . 1 1 26 26 U H2' H 1 4.300 0.004 . 1 . . . . 26 URI H2' . 6652 1 214 . 1 1 26 26 U H3 H 1 11.700 0.006 . 1 . . . . 26 URI H3 . 6652 1 215 . 1 1 26 26 U H5 H 1 5.648 0.008 . 1 . . . . 26 URI H5 . 6652 1 216 . 1 1 26 26 U H6 H 1 8.062 0.005 . 1 . . . . 26 URI H6 . 6652 1 217 . 1 1 26 26 U N3 N 15 158.510 0.000 . 1 . . . . 26 URI N3 . 6652 1 218 . 1 1 27 27 G C8 C 13 137.750 0.000 . 1 . . . . 27 GUA C8 . 6652 1 219 . 1 1 27 27 G H1 H 1 12.421 0.011 . 1 . . . . 27 GUA H1 . 6652 1 220 . 1 1 27 27 G H1' H 1 5.742 0.002 . 1 . . . . 27 GUA H1' . 6652 1 221 . 1 1 27 27 G H2' H 1 4.695 0.013 . 1 . . . . 27 GUA H2' . 6652 1 222 . 1 1 27 27 G H8 H 1 8.032 0.014 . 1 . . . . 27 GUA H8 . 6652 1 223 . 1 1 27 27 G N1 N 15 146.767 0.000 . 1 . . . . 27 GUA N1 . 6652 1 224 . 1 1 28 28 G C8 C 13 135.703 0.000 . 1 . . . . 28 GUA C8 . 6652 1 225 . 1 1 28 28 G H1 H 1 13.205 0.004 . 1 . . . . 28 GUA H1 . 6652 1 226 . 1 1 28 28 G H1' H 1 5.729 0.001 . 1 . . . . 28 GUA H1' . 6652 1 227 . 1 1 28 28 G H2' H 1 4.364 0.002 . 1 . . . . 28 GUA H2' . 6652 1 228 . 1 1 28 28 G H21 H 1 8.394 0.000 . 1 . . . . 28 GUA H21 . 6652 1 229 . 1 1 28 28 G H22 H 1 6.112 0.000 . 1 . . . . 28 GUA H22 . 6652 1 230 . 1 1 28 28 G H8 H 1 7.322 0.017 . 1 . . . . 28 GUA H8 . 6652 1 231 . 1 1 28 28 G N1 N 15 147.956 0.000 . 1 . . . . 28 GUA N1 . 6652 1 232 . 1 1 29 29 U C1' C 13 92.384 0.000 . 1 . . . . 29 URI C1' . 6652 1 233 . 1 1 29 29 U C5 C 13 101.431 0.000 . 1 . . . . 29 URI C5 . 6652 1 234 . 1 1 29 29 U H1' H 1 5.562 0.012 . 1 . . . . 29 URI H1' . 6652 1 235 . 1 1 29 29 U H2' H 1 4.374 0.007 . 1 . . . . 29 URI H2' . 6652 1 236 . 1 1 29 29 U H3 H 1 14.495 0.003 . 1 . . . . 29 URI H3 . 6652 1 237 . 1 1 29 29 U H5 H 1 5.026 0.008 . 1 . . . . 29 URI H5 . 6652 1 238 . 1 1 29 29 U H6 H 1 7.847 0.005 . 1 . . . . 29 URI H6 . 6652 1 239 . 1 1 29 29 U N3 N 15 162.333 0.000 . 1 . . . . 29 URI N3 . 6652 1 240 . 1 1 30 30 U C5 C 13 102.413 0.000 . 1 . . . . 30 URI C5 . 6652 1 241 . 1 1 30 30 U H1' H 1 5.682 0.003 . 1 . . . . 30 URI H1' . 6652 1 242 . 1 1 30 30 U H2' H 1 4.455 0.006 . 1 . . . . 30 URI H2' . 6652 1 243 . 1 1 30 30 U H3 H 1 14.004 0.005 . 1 . . . . 30 URI H3 . 6652 1 244 . 1 1 30 30 U H5 H 1 5.588 0.015 . 1 . . . . 30 URI H5 . 6652 1 245 . 1 1 30 30 U H6 H 1 7.976 0.010 . 1 . . . . 30 URI H6 . 6652 1 246 . 1 1 30 30 U N3 N 15 162.129 0.000 . 1 . . . . 30 URI N3 . 6652 1 247 . 1 1 31 31 C H1' H 1 5.480 0.001 . 1 . . . . 31 CYT H1' . 6652 1 248 . 1 1 31 31 C H2' H 1 4.291 0.004 . 1 . . . . 31 CYT H2' . 6652 1 249 . 1 1 31 31 C H41 H 1 8.387 0.004 . 1 . . . . 31 CYT H41 . 6652 1 250 . 1 1 31 31 C H42 H 1 6.893 0.007 . 1 . . . . 31 CYT H42 . 6652 1 251 . 1 1 31 31 C H5 H 1 5.677 0.002 . 1 . . . . 31 CYT H5 . 6652 1 252 . 1 1 31 31 C H6 H 1 7.786 0.002 . 1 . . . . 31 CYT H6 . 6652 1 253 . 1 1 32 32 U C1' C 13 92.612 0.000 . 1 . . . . 32 URI C1' . 6652 1 254 . 1 1 32 32 U C5 C 13 102.113 0.000 . 1 . . . . 32 URI C5 . 6652 1 255 . 1 1 32 32 U H1' H 1 5.442 0.007 . 1 . . . . 32 URI H1' . 6652 1 256 . 1 1 32 32 U H2' H 1 4.413 0.004 . 1 . . . . 32 URI H2' . 6652 1 257 . 1 1 32 32 U H3 H 1 13.995 0.008 . 1 . . . . 32 URI H3 . 6652 1 258 . 1 1 32 32 U H5 H 1 5.382 0.012 . 1 . . . . 32 URI H5 . 6652 1 259 . 1 1 32 32 U H6 H 1 7.865 0.008 . 1 . . . . 32 URI H6 . 6652 1 260 . 1 1 32 32 U N3 N 15 162.720 0.000 . 1 . . . . 32 URI N3 . 6652 1 261 . 1 1 33 33 U C1' C 13 91.582 0.000 . 1 . . . . 33 URI C1' . 6652 1 262 . 1 1 33 33 U C5 C 13 102.135 0.000 . 1 . . . . 33 URI C5 . 6652 1 263 . 1 1 33 33 U C6 C 13 142.651 0.000 . 1 . . . . 33 URI C6 . 6652 1 264 . 1 1 33 33 U H1' H 1 5.575 0.008 . 1 . . . . 33 URI H1' . 6652 1 265 . 1 1 33 33 U H2' H 1 4.417 0.004 . 1 . . . . 33 URI H2' . 6652 1 266 . 1 1 33 33 U H3 H 1 13.641 0.004 . 1 . . . . 33 URI H3 . 6652 1 267 . 1 1 33 33 U H5 H 1 5.551 0.004 . 1 . . . . 33 URI H5 . 6652 1 268 . 1 1 33 33 U H6 H 1 7.945 0.012 . 1 . . . . 33 URI H6 . 6652 1 269 . 1 1 33 33 U N3 N 15 162.472 0.000 . 1 . . . . 33 URI N3 . 6652 1 270 . 1 1 34 34 C C1' C 13 92.558 0.000 . 1 . . . . 34 CYT C1' . 6652 1 271 . 1 1 34 34 C C5 C 13 96.132 0.000 . 1 . . . . 34 CYT C5 . 6652 1 272 . 1 1 34 34 C H1' H 1 5.448 0.023 . 1 . . . . 34 CYT H1' . 6652 1 273 . 1 1 34 34 C H2' H 1 4.242 0.003 . 1 . . . . 34 CYT H2' . 6652 1 274 . 1 1 34 34 C H41 H 1 8.378 0.002 . 1 . . . . 34 CYT H41 . 6652 1 275 . 1 1 34 34 C H42 H 1 7.072 0.000 . 1 . . . . 34 CYT H42 . 6652 1 276 . 1 1 34 34 C H5 H 1 5.692 0.011 . 1 . . . . 34 CYT H5 . 6652 1 277 . 1 1 34 34 C H6 H 1 7.889 0.002 . 1 . . . . 34 CYT H6 . 6652 1 278 . 1 1 35 35 C C1' C 13 92.558 0.000 . 1 . . . . 35 CYT C1' . 6652 1 279 . 1 1 35 35 C C5 C 13 96.305 0.000 . 1 . . . . 35 CYT C5 . 6652 1 280 . 1 1 35 35 C H1' H 1 5.487 0.000 . 1 . . . . 35 CYT H1' . 6652 1 281 . 1 1 35 35 C H2' H 1 4.156 0.000 . 1 . . . . 35 CYT H2' . 6652 1 282 . 1 1 35 35 C H41 H 1 8.056 0.000 . 1 . . . . 35 CYT H41 . 6652 1 283 . 1 1 35 35 C H42 H 1 6.555 0.009 . 1 . . . . 35 CYT H42 . 6652 1 284 . 1 1 35 35 C H5 H 1 5.381 0.013 . 1 . . . . 35 CYT H5 . 6652 1 285 . 1 1 35 35 C H6 H 1 7.739 0.001 . 1 . . . . 35 CYT H6 . 6652 1 286 . 1 1 36 36 U H1' H 1 5.586 0.002 . 1 . . . . 36 URI H1' . 6652 1 287 . 1 1 36 36 U C5 C 13 102.884 0.000 . 1 . . . . 36 URI C5 . 6652 1 288 . 1 1 36 36 U H2' H 1 4.359 0.004 . 1 . . . . 36 URI H2' . 6652 1 289 . 1 1 36 36 U H3 H 1 11.496 0.005 . 1 . . . . 36 URI H3 . 6652 1 290 . 1 1 36 36 U H5 H 1 5.616 0.007 . 1 . . . . 36 URI H5 . 6652 1 291 . 1 1 36 36 U H6 H 1 7.736 0.003 . 1 . . . . 36 URI H6 . 6652 1 292 . 1 1 36 36 U N3 N 15 159.320 0.000 . 1 . . . . 36 URI N3 . 6652 1 293 . 1 1 37 37 A C1' C 13 88.517 0.000 . 1 . . . . 37 ADE C1' . 6652 1 294 . 1 1 37 37 A C2 C 13 153.300 0.000 . 1 . . . . 37 ADE C2 . 6652 1 295 . 1 1 37 37 A C8 C 13 139.881 0.000 . 1 . . . . 37 ADE C8 . 6652 1 296 . 1 1 37 37 A H1' H 1 7.198 0.019 . 1 . . . . 37 ADE H1' . 6652 1 297 . 1 1 37 37 A H2 H 1 6.836 0.017 . 1 . . . . 37 ADE H2 . 6652 1 298 . 1 1 37 37 A H2' H 1 4.288 0.003 . 1 . . . . 37 ADE H2' . 6652 1 299 . 1 1 37 37 A H3' H 1 4.999 0.002 . 1 . . . . 37 ADE H3' . 6652 1 300 . 1 1 37 37 A H8 H 1 7.913 0.016 . 1 . . . . 37 ADE H8 . 6652 1 301 . 1 1 37 37 A HO2' H 1 6.943 0.000 . 1 . . . . 37 ADE HO2' . 6652 1 302 . 1 1 38 38 A C1' C 13 91.394 0.000 . 1 . . . . 38 ADE C1' . 6652 1 303 . 1 1 38 38 A C2 C 13 153.314 0.000 . 1 . . . . 38 ADE C2 . 6652 1 304 . 1 1 38 38 A H1' H 1 3.699 0.012 . 1 . . . . 38 ADE H1' . 6652 1 305 . 1 1 38 38 A H2 H 1 7.960 0.011 . 1 . . . . 38 ADE H2 . 6652 1 306 . 1 1 38 38 A H2' H 1 4.444 0.001 . 1 . . . . 38 ADE H2' . 6652 1 307 . 1 1 38 38 A H8 H 1 7.613 0.002 . 1 . . . . 38 ADE H8 . 6652 1 308 . 1 1 39 39 G C1' C 13 91.062 0.000 . 1 . . . . 39 GUA C1' . 6652 1 309 . 1 1 39 39 G C8 C 13 136.741 0.000 . 1 . . . . 39 GUA C8 . 6652 1 310 . 1 1 39 39 G H1 H 1 11.289 0.020 . 1 . . . . 39 GUA H1 . 6652 1 311 . 1 1 39 39 G H1' H 1 4.941 0.002 . 1 . . . . 39 GUA H1' . 6652 1 312 . 1 1 39 39 G H2' H 1 4.301 0.000 . 1 . . . . 39 GUA H2' . 6652 1 313 . 1 1 39 39 G H21 H 1 6.390 0.003 . 1 . . . . 39 GUA H21,2 . 6652 1 314 . 1 1 39 39 G H22 H 1 6.397 0.000 . 1 . . . . 39 GUA H21-2 . 6652 1 315 . 1 1 39 39 G H8 H 1 7.402 0.004 . 1 . . . . 39 GUA H8 . 6652 1 316 . 1 1 39 39 G N1 N 15 143.440 0.000 . 1 . . . . 39 GUA N1 . 6652 1 317 . 1 1 40 40 U C1' C 13 92.065 0.000 . 1 . . . . 40 URI C1' . 6652 1 318 . 1 1 40 40 U C5 C 13 101.857 0.000 . 1 . . . . 40 URI C5 . 6652 1 319 . 1 1 40 40 U C6 C 13 141.318 0.000 . 1 . . . . 40 URI C6 . 6652 1 320 . 1 1 40 40 U H1' H 1 5.342 0.007 . 1 . . . . 40 URI H1' . 6652 1 321 . 1 1 40 40 U H2' H 1 4.262 0.003 . 1 . . . . 40 URI H2' . 6652 1 322 . 1 1 40 40 U H3 H 1 14.201 0.014 . 1 . . . . 40 URI H3 . 6652 1 323 . 1 1 40 40 U H5 H 1 5.369 0.010 . 1 . . . . 40 URI H5 . 6652 1 324 . 1 1 40 40 U H6 H 1 7.617 0.006 . 1 . . . . 40 URI H6 . 6652 1 325 . 1 1 40 40 U N3 N 15 164.361 0.000 . 1 . . . . 40 URI N3 . 6652 1 326 . 1 1 41 41 C C1' C 13 92.374 0.000 . 1 . . . . 41 CYT C1' . 6652 1 327 . 1 1 41 41 C C5 C 13 96.132 0.000 . 1 . . . . 41 CYT C5 . 6652 1 328 . 1 1 41 41 C H1' H 1 5.549 0.022 . 1 . . . . 41 CYT H1' . 6652 1 329 . 1 1 41 41 C H2' H 1 4.263 0.016 . 1 . . . . 41 CYT H2' . 6652 1 330 . 1 1 41 41 C H41 H 1 8.300 0.002 . 1 . . . . 41 CYT H41 . 6652 1 331 . 1 1 41 41 C H42 H 1 6.978 0.003 . 1 . . . . 41 CYT H42 . 6652 1 332 . 1 1 41 41 C H5 H 1 5.552 0.021 . 1 . . . . 41 CYT H5 . 6652 1 333 . 1 1 41 41 C H6 H 1 7.887 0.001 . 1 . . . . 41 CYT H6 . 6652 1 334 . 1 1 42 42 C C1' C 13 92.356 0.000 . 1 . . . . 42 CYT C1' . 6652 1 335 . 1 1 42 42 C C5 C 13 96.648 0.000 . 1 . . . . 42 CYT C5 . 6652 1 336 . 1 1 42 42 C H1' H 1 5.457 0.019 . 1 . . . . 42 CYT H1' . 6652 1 337 . 1 1 42 42 C H2' H 1 4.319 0.002 . 1 . . . . 42 CYT H2' . 6652 1 338 . 1 1 42 42 C H41 H 1 8.355 0.004 . 1 . . . . 42 CYT H41 . 6652 1 339 . 1 1 42 42 C H42 H 1 6.860 0.004 . 1 . . . . 42 CYT H42 . 6652 1 340 . 1 1 42 42 C H5 H 1 5.406 0.018 . 1 . . . . 42 CYT H5 . 6652 1 341 . 1 1 42 42 C H6 H 1 7.664 0.003 . 1 . . . . 42 CYT H6 . 6652 1 342 . 1 1 43 43 U C1' C 13 91.318 0.000 . 1 . . . . 43 URI C1' . 6652 1 343 . 1 1 43 43 U C5 C 13 102.756 0.000 . 1 . . . . 43 URI C5 . 6652 1 344 . 1 1 43 43 U H1' H 1 5.731 0.009 . 1 . . . . 43 URI H1' . 6652 1 345 . 1 1 43 43 U H2' H 1 3.996 0.009 . 1 . . . . 43 URI H2' . 6652 1 346 . 1 1 43 43 U H3 H 1 11.844 0.009 . 1 . . . . 43 URI H3 . 6652 1 347 . 1 1 43 43 U H3' H 1 4.156 0.000 . 1 . . . . 43 URI H3' . 6652 1 348 . 1 1 43 43 U H5 H 1 5.611 0.006 . 1 . . . . 43 URI H5 . 6652 1 349 . 1 1 43 43 U H6 H 1 7.750 0.006 . 1 . . . . 43 URI H6 . 6652 1 350 . 1 1 43 43 U N3 N 15 158.029 0.000 . 1 . . . . 43 URI N3 . 6652 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 6652 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 2 _RDC_list.Sample_condition_list_label $conditions_2 _RDC_list.Spectrometer_frequency_1H 600.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 1 $sample_1 anisotropic 6652 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHNN . 1 1 2 2 G H H 1 . . 1 1 2 2 G N N 15 . 15.1 . . 2.2000 . . . . . . . . . . . 6652 1 2 1DHNN . 1 1 5 5 U H H 1 . . 1 1 5 5 U N N 15 . 39.4 . . 1.2000 . . . . . . . . . . . 6652 1 3 1DHNN . 1 1 9 9 G H H 1 . . 1 1 9 9 G N N 15 . 50.4 . . 1.2000 . . . . . . . . . . . 6652 1 4 1DHNN . 1 1 17 17 G H H 1 . . 1 1 17 17 G N N 15 . 8.1 . . 1.2000 . . . . . . . . . . . 6652 1 5 1DHNN . 1 1 18 18 G H H 1 . . 1 1 18 18 G N N 15 . 45.1 . . 1.2000 . . . . . . . . . . . 6652 1 6 1DHNN . 1 1 20 20 G H H 1 . . 1 1 20 20 G N N 15 . 35.2 . . 1.2000 . . . . . . . . . . . 6652 1 7 1DHNN . 1 1 28 28 G H H 1 . . 1 1 28 28 G N N 15 . 26.2 . . 1.2000 . . . . . . . . . . . 6652 1 8 1DHNN . 1 1 29 29 U H H 1 . . 1 1 29 29 U N N 15 . 24.4 . . 1.2000 . . . . . . . . . . . 6652 1 9 1DHNN . 1 1 33 33 U H H 1 . . 1 1 33 33 U N N 15 . 13.5 . . 1.2000 . . . . . . . . . . . 6652 1 10 1DHNN . 1 1 36 36 U H H 1 . . 1 1 36 36 U N N 15 . 51.8 . . 1.2000 . . . . . . . . . . . 6652 1 11 1DHNN . 1 1 39 39 G H H 1 . . 1 1 39 39 G N N 15 . 40.2 . . 1.2000 . . . . . . . . . . . 6652 1 12 1DHNN . 1 1 43 43 U H H 1 . . 1 1 43 43 U N N 15 . 4.96 . . 1.2000 . . . . . . . . . . . 6652 1 stop_ save_