data_18616 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18616 _Entry.Title ; Relaxation rates for accurate spectral density mapping for unbiased analysis of nucleic acid motions probed by carbon-13 NMR relaxation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-26 _Entry.Accession_date 2012-07-26 _Entry.Last_release_date 2012-07-26 _Entry.Original_release_date 2012-07-26 _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 Pavel Kaderavek . . . . 18616 2 Vojtech Zapletal . . . . 18616 3 Radovan Fiala . . . . 18616 4 Vladimir Sklenar . . . . 18616 5 Lukas Zidek . . . . 18616 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 4 18616 heteronucl_T1_relaxation 3 18616 heteronucl_T1rho_relaxation 3 18616 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 39 18616 'T1rho relaxation values' 39 18616 'dipole-CSA cross correlation relaxation values' 73 18616 'heteronuclear NOE values' 52 18616 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 . . 2019-08-30 . original BMRB . 18616 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18616 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 27003380 _Citation.DOI 10.1016/j.jmr.2016.02.016 _Citation.Full_citation . _Citation.Title ; Spectral density mapping at multiple magnetic fields suitable for (13)C NMR relaxation studies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full 'Journal of magnetic resonance (San Diego, Calif. : 1997)' _Citation.Journal_volume 266 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1096-0856 _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 23 _Citation.Page_last 40 _Citation.Year 2016 _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 Pavel Kaderavek P. . . . 18616 1 2 Vojtech Zapletal V. . . . 18616 1 3 Radovan Fiala R. . . . 18616 1 4 Pavel Srb P. . . . 18616 1 5 Petr Padrta P. . . . 18616 1 6 'Jana Pavlikova' Precechtelova J. P. . . 18616 1 7 Maria Soltesova M. . . . 18616 1 8 Jozef Kowalewski J. . . . 18616 1 9 Goran Widmalm G. . . . 18616 1 10 Josef Chmelik J. . . . 18616 1 11 Vladimir Sklenar V. . . . 18616 1 12 Lukas Zidek L. . . . 18616 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18616 _Assembly.ID 1 _Assembly.Name 'UUCG tetraloop' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'UUCG teraloop' 1 $UUCG_tetraloop A . yes native no no . . . 18616 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UUCG_tetraloop _Entity.Sf_category entity _Entity.Sf_framecode UUCG_tetraloop _Entity.Entry_ID 18616 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UUCG_tetraloop _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 ; GGCACUUCGGUGCC ; _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . 18616 1 2 . G . 18616 1 3 . C . 18616 1 4 . A . 18616 1 5 . C . 18616 1 6 . U . 18616 1 7 . U . 18616 1 8 . C . 18616 1 9 . G . 18616 1 10 . G . 18616 1 11 . U . 18616 1 12 . G . 18616 1 13 . C . 18616 1 14 . C . 18616 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 18616 1 . G 2 2 18616 1 . C 3 3 18616 1 . A 4 4 18616 1 . C 5 5 18616 1 . U 6 6 18616 1 . U 7 7 18616 1 . C 8 8 18616 1 . G 9 9 18616 1 . G 10 10 18616 1 . U 11 11 18616 1 . G 12 12 18616 1 . C 13 13 18616 1 . C 14 14 18616 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 18616 _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 $UUCG_tetraloop . . . . . . . . . . . . . . . . . . . . . . . . 'multiple natural sources' 18616 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 18616 _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 $UUCG_tetraloop . 'chemical synthesis' . . . . . . . . . . . . . . . . 18616 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18616 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'UUCG tetraloop' '[U-13C; U-15N]' . . 1 $UUCG_tetraloop . . 3.0 . . mM . . . . 18616 1 2 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 18616 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18616 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18616 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 18616 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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* 6.7 . pH 18616 1 pressure 1 . atm 18616 1 temperature 298.15 0.1 K 18616 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18616 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18616 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 18616 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18616 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18616 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 18616 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 18616 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18616 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18616 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 18616 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Unity . 400 . . . 18616 1 2 spectrometer_2 Varian Unity . 500 . . . 18616 1 3 spectrometer_3 Varian Unity . 600 . . . 18616 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 18616 _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 R1 13C,1H correlation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18616 1 2 '2D R1rho 13C,1H correlation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18616 1 3 '2D NOE 13C,1H correlation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18616 1 4 '2D constant-time 13C(coupled),1H correlation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18616 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18616 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 400 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'not applicable' _Heteronucl_NOE_list.Details ; interscan delay: 3.0s proton saturation period: 3.0s ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 13C,1H correlation' . . . 18616 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G H8 H 1 1.12467 0.11064 . . . . . . . . . . 18616 1 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H8 H 1 1.16818 0.05824 . . . . . . . . . . 18616 1 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H8 H 1 1.17063 0.03980 . . . . . . . . . . 18616 1 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A H2 H 1 1.16351 0.03867 . . . . . . . . . . 18616 1 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C H6 H 1 1.15718 0.02456 . . . . . . . . . . 18616 1 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U H6 H 1 1.23950 0.01632 . . . . . . . . . . 18616 1 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C H6 H 1 1.16018 0.01989 . . . . . . . . . . 18616 1 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G H8 H 1 1.17160 0.14611 . . . . . . . . . . 18616 1 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G H8 H 1 1.21208 0.03689 . . . . . . . . . . 18616 1 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H6 H 1 1.13037 0.01926 . . . . . . . . . . 18616 1 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G H8 H 1 1.14615 0.03487 . . . . . . . . . . 18616 1 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H6 H 1 1.16021 0.02381 . . . . . . . . . . 18616 1 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C H6 H 1 1.17322 0.02371 . . . . . . . . . . 18616 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 18616 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'not applicable' _Heteronucl_NOE_list.Details ; interscan delay: 5.0s proton saturation period 1.5s ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 13C,1H correlation' . . . 18616 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G H8 H 1 1.11533 0.05685 . . . . . . . . . . 18616 2 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H8 H 1 1.15588 0.02118 . . . . . . . . . . 18616 2 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H8 H 1 1.15855 0.00993 . . . . . . . . . . 18616 2 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A H2 H 1 1.13787 0.00891 . . . . . . . . . . 18616 2 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C H6 H 1 1.12992 0.00787 . . . . . . . . . . 18616 2 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U H6 H 1 1.22633 0.00577 . . . . . . . . . . 18616 2 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C H6 H 1 1.15226 0.00657 . . . . . . . . . . 18616 2 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G H8 H 1 1.14694 0.07919 . . . . . . . . . . 18616 2 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G H8 H 1 1.16511 0.00870 . . . . . . . . . . 18616 2 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H6 H 1 1.13258 0.00754 . . . . . . . . . . 18616 2 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G H8 H 1 1.15688 0.00944 . . . . . . . . . . 18616 2 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H6 H 1 1.14350 0.00817 . . . . . . . . . . 18616 2 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C H6 H 1 1.14281 0.00836 . . . . . . . . . . 18616 2 stop_ save_ save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 18616 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'not applicable' _Heteronucl_NOE_list.Details ; interscan delay: 3.5s proton saturation period: 3.0s ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 13C,1H correlation' . . . 18616 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G H8 H 1 1.14724 0.04114 . . . . . . . . . . 18616 3 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H8 H 1 1.15858 0.01490 . . . . . . . . . . 18616 3 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H8 H 1 1.15073 0.00697 . . . . . . . . . . 18616 3 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A H2 H 1 1.13093 0.00625 . . . . . . . . . . 18616 3 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C H6 H 1 1.13640 0.00562 . . . . . . . . . . 18616 3 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U H6 H 1 1.22371 0.00406 . . . . . . . . . . 18616 3 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C H6 H 1 1.14590 0.00461 . . . . . . . . . . 18616 3 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G H8 H 1 1.13964 0.06008 . . . . . . . . . . 18616 3 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G H8 H 1 1.16577 0.00617 . . . . . . . . . . 18616 3 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H6 H 1 1.13568 0.00533 . . . . . . . . . . 18616 3 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G H8 H 1 1.15243 0.00663 . . . . . . . . . . 18616 3 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H6 H 1 1.13687 0.00573 . . . . . . . . . . 18616 3 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C H6 H 1 1.14169 0.00587 . . . . . . . . . . 18616 3 stop_ save_ save_heteronuclear_noe_list_4 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_4 _Heteronucl_NOE_list.Entry_ID 18616 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'not applicable' _Heteronucl_NOE_list.Details ; interscan delay: 3.0s proton saturation period: 3.0s ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 13C,1H correlation' . . . 18616 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G H8 H 1 1.10521 0.13670 . . . . . . . . . . 18616 4 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H8 H 1 1.13248 0.04723 . . . . . . . . . . 18616 4 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H8 H 1 1.13402 0.02875 . . . . . . . . . . 18616 4 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A H2 H 1 1.10851 0.03011 . . . . . . . . . . 18616 4 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C H6 H 1 1.10733 0.01561 . . . . . . . . . . 18616 4 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U H6 H 1 1.21410 0.01084 . . . . . . . . . . 18616 4 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C H6 H 1 1.12866 0.01335 . . . . . . . . . . 18616 4 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G H8 H 1 1.13827 0.11132 . . . . . . . . . . 18616 4 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G H8 H 1 1.14404 0.02454 . . . . . . . . . . 18616 4 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H6 H 1 1.10875 0.01409 . . . . . . . . . . 18616 4 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G H8 H 1 1.13112 0.02875 . . . . . . . . . . 18616 4 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H6 H 1 1.10864 0.01626 . . . . . . . . . . 18616 4 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C H6 H 1 1.12010 0.01598 . . . . . . . . . . 18616 4 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18616 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 400 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'Reported as R1' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D R1 13C,1H correlation' . . . 18616 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 G C8 C 13 7.56477 0.22903 . . . . . 18616 1 2 . 1 1 2 2 G C8 C 13 5.89530 0.08106 . . . . . 18616 1 3 . 1 1 4 4 A C8 C 13 5.44834 0.04913 . . . . . 18616 1 4 . 1 1 4 4 A C2 C 13 5.34609 0.05806 . . . . . 18616 1 5 . 1 1 5 5 C C6 C 13 6.14737 0.03797 . . . . . 18616 1 6 . 1 1 7 7 U C6 C 13 4.67068 0.01668 . . . . . 18616 1 7 . 1 1 8 8 C C6 C 13 5.51259 0.02683 . . . . . 18616 1 8 . 1 1 9 9 G C8 C 13 5.12843 0.17876 . . . . . 18616 1 9 . 1 1 10 10 G C8 C 13 5.48470 0.04006 . . . . . 18616 1 10 . 1 1 11 11 U C6 C 13 6.13515 0.03116 . . . . . 18616 1 11 . 1 1 12 12 G C8 C 13 5.50404 0.05034 . . . . . 18616 1 12 . 1 1 13 13 C C6 C 13 6.08180 0.03820 . . . . . 18616 1 13 . 1 1 14 14 C C6 C 13 5.97961 0.03570 . . . . . 18616 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 18616 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'Reported as R1' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D R1 13C,1H correlation' . . . 18616 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 G C8 C 13 5.25146 0.20523 . . . . . 18616 2 2 . 1 1 2 2 G C8 C 13 4.44008 0.06095 . . . . . 18616 2 3 . 1 1 4 4 A C8 C 13 4.00849 0.02776 . . . . . 18616 2 4 . 1 1 4 4 A C2 C 13 4.09065 0.02852 . . . . . 18616 2 5 . 1 1 5 5 C C6 C 13 4.84269 0.02046 . . . . . 18616 2 6 . 1 1 7 7 U C6 C 13 3.69959 0.01029 . . . . . 18616 2 7 . 1 1 8 8 C C6 C 13 4.31182 0.01503 . . . . . 18616 2 8 . 1 1 9 9 G C8 C 13 4.07252 0.22933 . . . . . 18616 2 9 . 1 1 10 10 G C8 C 13 4.10598 0.02431 . . . . . 18616 2 10 . 1 1 11 11 U C6 C 13 4.86654 0.01748 . . . . . 18616 2 11 . 1 1 12 12 G C8 C 13 4.12041 0.02622 . . . . . 18616 2 12 . 1 1 13 13 C C6 C 13 4.70720 0.02013 . . . . . 18616 2 13 . 1 1 14 14 C C6 C 13 4.69710 0.02027 . . . . . 18616 2 stop_ save_ save_heteronuclear_T1_list_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_3 _Heteronucl_T1_list.Entry_ID 18616 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'Reported as R1' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D R1 13C,1H correlation' . . . 18616 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 G C8 C 13 4.81380 0.38560 . . . . . 18616 3 2 . 1 1 2 2 G C8 C 13 3.42796 0.12140 . . . . . 18616 3 3 . 1 1 4 4 A C8 C 13 3.18802 0.08384 . . . . . 18616 3 4 . 1 1 4 4 A C2 C 13 3.35667 0.08209 . . . . . 18616 3 5 . 1 1 5 5 C C6 C 13 4.00853 0.06425 . . . . . 18616 3 6 . 1 1 7 7 U C6 C 13 3.11479 0.03394 . . . . . 18616 3 7 . 1 1 8 8 C C6 C 13 3.57908 0.04156 . . . . . 18616 3 8 . 1 1 9 9 G C8 C 13 2.88906 0.26609 . . . . . 18616 3 9 . 1 1 10 10 G C8 C 13 3.20217 0.06017 . . . . . 18616 3 10 . 1 1 11 11 U C6 C 13 4.05652 0.05173 . . . . . 18616 3 11 . 1 1 12 12 G C8 C 13 3.23591 0.08353 . . . . . 18616 3 12 . 1 1 13 13 C C6 C 13 3.93162 0.05713 . . . . . 18616 3 13 . 1 1 14 14 C C6 C 13 3.89141 0.05102 . . . . . 18616 3 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Entry_ID 18616 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name . _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 400 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method None _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details ; spin lock field strength: 2783.96 Hz spin lock carrier frequency: 137.331 ppm ; _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 2 '2D R1rho 13C,1H correlation' . . . 18616 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 1 1 G C8 C 13 23.46330 139.50764 . . . . . . . 18616 1 2 . 1 1 2 2 G C8 C 13 18.58348 6.38361 . . . . . . . 18616 1 3 . 1 1 4 4 A C8 C 13 16.37127 4.58792 . . . . . . . 18616 1 4 . 1 1 4 4 A C2 C 13 14.93758 3.87634 . . . . . . . 18616 1 5 . 1 1 5 5 C C6 C 13 18.40135 3.03657 . . . . . . . 18616 1 6 . 1 1 7 7 U C6 C 13 13.36913 1.13049 . . . . . . . 18616 1 7 . 1 1 8 8 C C6 C 13 17.36475 1.92082 . . . . . . . 18616 1 8 . 1 1 9 9 G C8 C 13 15.59618 66.71552 . . . . . . . 18616 1 9 . 1 1 10 10 G C8 C 13 16.64735 3.34256 . . . . . . . 18616 1 10 . 1 1 11 11 U C6 C 13 18.10312 2.40324 . . . . . . . 18616 1 11 . 1 1 12 12 G C8 C 13 16.14761 3.26559 . . . . . . . 18616 1 12 . 1 1 13 13 C C6 C 13 18.38015 2.84777 . . . . . . . 18616 1 13 . 1 1 14 14 C C6 C 13 17.94060 2.51593 . . . . . . . 18616 1 stop_ save_ save_heteronuclear_T1rho_list_2 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_2 _Heteronucl_T1rho_list.Entry_ID 18616 _Heteronucl_T1rho_list.ID 2 _Heteronucl_T1rho_list.Name . _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 500 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method None _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details ; spin lock field strength: 1964.06 Hz spin lock carrier frequency: 138.124 ppm ; _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 2 '2D R1rho 13C,1H correlation' . . . 18616 2 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 1 1 G C8 C 13 23.64497 3.77748 . . . . . . . 18616 2 2 . 1 1 2 2 G C8 C 13 20.22571 0.95293 . . . . . . . 18616 2 3 . 1 1 4 4 A C8 C 13 17.10419 0.38266 . . . . . . . 18616 2 4 . 1 1 4 4 A C2 C 13 12.88546 0.28459 . . . . . . . 18616 2 5 . 1 1 5 5 C C6 C 13 19.84867 0.25809 . . . . . . . 18616 2 6 . 1 1 7 7 U C6 C 13 13.97558 0.12228 . . . . . . . 18616 2 7 . 1 1 8 8 C C6 C 13 19.10169 0.20865 . . . . . . . 18616 2 8 . 1 1 9 9 G C8 C 13 17.70647 3.27717 . . . . . . . 18616 2 9 . 1 1 10 10 G C8 C 13 17.50221 0.33925 . . . . . . . 18616 2 10 . 1 1 11 11 U C6 C 13 20.07738 0.22573 . . . . . . . 18616 2 11 . 1 1 12 12 G C8 C 13 15.82181 0.32160 . . . . . . . 18616 2 12 . 1 1 13 13 C C6 C 13 20.27356 0.26680 . . . . . . . 18616 2 13 . 1 1 14 14 C C6 C 13 19.40426 0.25063 . . . . . . . 18616 2 stop_ save_ save_heteronuclear_T1rho_list_3 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_3 _Heteronucl_T1rho_list.Entry_ID 18616 _Heteronucl_T1rho_list.ID 3 _Heteronucl_T1rho_list.Name . _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 600 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method None _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details ; spin lock field strength: 4807.69 Hz spin lock carrier frequency: 137.348 ppm ; _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 2 '2D R1rho 13C,1H correlation' . . . 18616 3 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 1 1 G C8 C 13 24.10197 4.30856 . . . . . . . 18616 3 2 . 1 1 2 2 G C8 C 13 20.07290 2.18692 . . . . . . . 18616 3 3 . 1 1 4 4 A C8 C 13 17.03804 0.75518 . . . . . . . 18616 3 4 . 1 1 4 4 A C2 C 13 16.57740 0.71166 . . . . . . . 18616 3 5 . 1 1 5 5 C C6 C 13 21.25115 0.54240 . . . . . . . 18616 3 6 . 1 1 7 7 U C6 C 13 14.75440 0.33443 . . . . . . . 18616 3 7 . 1 1 8 8 C C6 C 13 19.60336 0.80864 . . . . . . . 18616 3 8 . 1 1 9 9 G C8 C 13 16.04717 2.37112 . . . . . . . 18616 3 9 . 1 1 10 10 G C8 C 13 16.92867 0.53894 . . . . . . . 18616 3 10 . 1 1 11 11 U C6 C 13 21.19497 0.50104 . . . . . . . 18616 3 11 . 1 1 12 12 G C8 C 13 16.80581 0.67866 . . . . . . . 18616 3 12 . 1 1 13 13 C C6 C 13 21.50914 1.38548 . . . . . . . 18616 3 13 . 1 1 14 14 C C6 C 13 20.65178 1.20740 . . . . . . . 18616 3 stop_ save_ #################################################### # Dipole-CSA cross correlation relaxation values # #################################################### save_D_CSA_cross_correlation_relaxation_list_1 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_1 _Cross_correlation_D_CSA_list.Entry_ID 18616 _Cross_correlation_D_CSA_list.ID 1 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 400 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details 'constant-time in indirect (coupled) dimension: 15ms' _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 4 '2D constant-time 13C(coupled),1H correlation' . . . 18616 1 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G C8 C 13 -7.08231 1.05882 . . . . . . . . . . 18616 1 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G C8 C 13 -7.55747 0.54878 . . . . . . . . . . 18616 1 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A C8 C 13 -6.73816 0.41459 . . . . . . . . . . 18616 1 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A C2 C 13 -9.98306 0.49865 . . . . . . . . . . 18616 1 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C C6 C 13 -9.54212 0.48456 . . . . . . . . . . 18616 1 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U C6 C 13 -6.11248 0.29001 . . . . . . . . . . 18616 1 7 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G C8 C 13 -12.19980 2.45194 . . . . . . . . . . 18616 1 8 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G C8 C 13 -6.43226 0.35827 . . . . . . . . . . 18616 1 9 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U C6 C 13 -11.22010 0.43466 . . . . . . . . . . 18616 1 10 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G C8 C 13 -6.66970 0.37372 . . . . . . . . . . 18616 1 11 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C C6 C 13 -8.80942 0.50774 . . . . . . . . . . 18616 1 stop_ save_ save_D_CSA_cross_correlation_relaxation_list_2 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_2 _Cross_correlation_D_CSA_list.Entry_ID 18616 _Cross_correlation_D_CSA_list.ID 2 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 400 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details 'constant-time in indirect (coupled) dimension: 30ms' _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 4 '2D constant-time 13C(coupled),1H correlation' . . . 18616 2 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G C8 C 13 -7.72403 1.41809 . . . . . . . . . . 18616 2 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G C8 C 13 -6.21864 0.62504 . . . . . . . . . . 18616 2 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A C8 C 13 -6.98412 0.44919 . . . . . . . . . . 18616 2 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A C2 C 13 -9.76528 0.57381 . . . . . . . . . . 18616 2 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C C6 C 13 -9.09707 0.23459 . . . . . . . . . . 18616 2 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U C6 C 13 -5.87341 0.14496 . . . . . . . . . . 18616 2 7 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G C8 C 13 1.47251 1.59175 . . . . . . . . . . 18616 2 8 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G C8 C 13 -6.42709 0.38353 . . . . . . . . . . 18616 2 9 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U C6 C 13 -9.27423 0.21923 . . . . . . . . . . 18616 2 10 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G C8 C 13 -6.01384 0.41249 . . . . . . . . . . 18616 2 11 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C C6 C 13 -8.58375 0.20800 . . . . . . . . . . 18616 2 stop_ save_ save_D_CSA_cross_correlation_relaxation_list_3 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_3 _Cross_correlation_D_CSA_list.Entry_ID 18616 _Cross_correlation_D_CSA_list.ID 3 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 500 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details 'constant-time in indirect (coupled) dimension: 15ms' _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 4 '2D constant-time 13C(coupled),1H correlation' . . . 18616 3 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G C8 C 13 -7.68373 0.62262 . . . . . . . . . . 18616 3 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G C8 C 13 -8.11946 0.24030 . . . . . . . . . . 18616 3 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A C8 C 13 -8.38955 0.13118 . . . . . . . . . . 18616 3 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A C2 C 13 -11.85030 0.10997 . . . . . . . . . . 18616 3 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C C6 C 13 -10.77410 0.15805 . . . . . . . . . . 18616 3 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U C6 C 13 -7.95856 0.10140 . . . . . . . . . . 18616 3 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C C6 C 13 -9.62555 0.10836 . . . . . . . . . . 18616 3 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G C8 C 13 -10.36330 1.22457 . . . . . . . . . . 18616 3 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G C8 C 13 -7.54232 0.09422 . . . . . . . . . . 18616 3 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U C6 C 13 -11.15010 0.12986 . . . . . . . . . . 18616 3 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G C8 C 13 -7.96257 0.12071 . . . . . . . . . . 18616 3 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C C6 C 13 -10.67550 0.15143 . . . . . . . . . . 18616 3 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C C6 C 13 -10.84770 0.12588 . . . . . . . . . . 18616 3 stop_ save_ save_D_CSA_cross_correlation_relaxation_list_4 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_4 _Cross_correlation_D_CSA_list.Entry_ID 18616 _Cross_correlation_D_CSA_list.ID 4 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 500 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details 'constant-time in indirect (coupled) dimension: 30ms' _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 4 '2D constant-time 13C(coupled),1H correlation' . . . 18616 4 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G C8 C 13 -7.43047 1.97158 . . . . . . . . . . 18616 4 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G C8 C 13 -7.12075 0.59795 . . . . . . . . . . 18616 4 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A C8 C 13 -7.62023 0.29262 . . . . . . . . . . 18616 4 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A C2 C 13 -11.71240 0.26205 . . . . . . . . . . 18616 4 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C C6 C 13 -10.85690 0.21065 . . . . . . . . . . 18616 4 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U C6 C 13 -7.06926 0.12837 . . . . . . . . . . 18616 4 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C C6 C 13 -8.55427 0.13515 . . . . . . . . . . 18616 4 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G C8 C 13 -6.83863 2.25346 . . . . . . . . . . 18616 4 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G C8 C 13 -6.71443 0.20739 . . . . . . . . . . 18616 4 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U C6 C 13 -11.18340 0.17531 . . . . . . . . . . 18616 4 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G C8 C 13 -7.34456 0.26863 . . . . . . . . . . 18616 4 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C C6 C 13 -11.08470 0.20485 . . . . . . . . . . 18616 4 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C C6 C 13 -10.79970 0.17508 . . . . . . . . . . 18616 4 stop_ save_ save_D_CSA_cross_correlation_relaxation_list_5 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_5 _Cross_correlation_D_CSA_list.Entry_ID 18616 _Cross_correlation_D_CSA_list.ID 5 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 600 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details 'constant-time in indirect (coupled) dimension: 15ms' _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 4 '2D constant-time 13C(coupled),1H correlation' . . . 18616 5 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G C8 C 13 -8.28293 1.08236 . . . . . . . . . . 18616 5 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G C8 C 13 -8.35471 0.55669 . . . . . . . . . . 18616 5 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A C8 C 13 -9.61535 0.35646 . . . . . . . . . . 18616 5 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A C2 C 13 -13.72420 0.31221 . . . . . . . . . . 18616 5 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C C6 C 13 -12.26570 0.60718 . . . . . . . . . . 18616 5 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U C6 C 13 -8.25798 0.43858 . . . . . . . . . . 18616 5 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C C6 C 13 -7.27186 0.41108 . . . . . . . . . . 18616 5 8 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G C8 C 13 -8.37055 0.32269 . . . . . . . . . . 18616 5 9 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U C6 C 13 -12.51000 0.47404 . . . . . . . . . . 18616 5 10 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G C8 C 13 -9.46490 0.49239 . . . . . . . . . . 18616 5 11 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C C6 C 13 -11.98290 0.57332 . . . . . . . . . . 18616 5 12 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C C6 C 13 -14.37270 0.51547 . . . . . . . . . . 18616 5 stop_ save_ save_D_CSA_cross_correlation_relaxation_list_6 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_6 _Cross_correlation_D_CSA_list.Entry_ID 18616 _Cross_correlation_D_CSA_list.ID 6 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 600 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details 'constant-time in indirect (coupled) dimension: 30ms' _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 4 '2D constant-time 13C(coupled),1H correlation' . . . 18616 6 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G C8 C 13 -7.53547 2.10742 . . . . . . . . . . 18616 6 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G C8 C 13 -8.34661 0.88302 . . . . . . . . . . 18616 6 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A C8 C 13 -9.35330 0.53177 . . . . . . . . . . 18616 6 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A C2 C 13 -13.51320 0.51964 . . . . . . . . . . 18616 6 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C C6 C 13 -12.20060 0.58956 . . . . . . . . . . 18616 6 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U C6 C 13 -8.16062 0.38155 . . . . . . . . . . 18616 6 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C C6 C 13 -8.41990 0.36997 . . . . . . . . . . 18616 6 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G C8 C 13 -3.52142 1.69029 . . . . . . . . . . 18616 6 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G C8 C 13 -8.16444 0.47293 . . . . . . . . . . 18616 6 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U C6 C 13 -12.38420 0.46604 . . . . . . . . . . 18616 6 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G C8 C 13 -9.00599 0.74115 . . . . . . . . . . 18616 6 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C C6 C 13 -12.64080 0.54226 . . . . . . . . . . 18616 6 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C C6 C 13 -11.57250 0.46439 . . . . . . . . . . 18616 6 stop_ save_