data_52101 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52101 _Entry.Title ; dGrU-RNA-DNA-Hybrid-R1rho ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-25 _Entry.Accession_date 2023-08-25 _Entry.Last_release_date 2023-08-25 _Entry.Original_release_date 2023-08-25 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Heteronuclear 15N R1rho values of dG-N1 and rU-N3 for varying offsets and spin-lock powers, extracted from mono-exponential fits to single peak intensities with varying relaxation delays in an R1rho relaxation dispersion experiment. ; _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 Or Szekely . . . 0000-0002-9502-9337 52101 2 Atul Rangadurai . K. . 0000-0003-2019-313X 52101 3 Stephanie Gu . . . 0000-0002-6337-3731 52101 4 Akanksha Manghrani . . . 0000-0002-6498-7305 52101 5 Serafima Guseva . . . 0000-0001-9706-5035 52101 6 Hashim Al-Hashimi . M. . . 52101 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Al-Hashimi group; Columbia University' . 52101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_T1rho_relaxation 4 52101 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 . . 2024-01-04 . original BMRB . 52101 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52102 'dTrG-RNA-DNA-Hybrid R1rho' 52101 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52101 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37662220 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR measurements of transient low-populated tautomeric and anionic Watson-Crick-like G.T/U in RNA:DNA hybrids: Implications for the fidelity of transcription and CRISPR/Cas9 gene editing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Or Szekely . . . . 52101 1 2 Atul Rangadurai . K. . . 52101 1 3 Stephanie Gu . . . . 52101 1 4 Akanksha Manghrani . . . . 52101 1 5 Serafima Guseva . . . . 52101 1 6 Hashim Al-Hashimi . M. . . 52101 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Nucleic acid dynamics; transcriptional errors; de-protonation; wobble mismatches; chemical exchange; relaxation dispersion' 52101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52101 _Assembly.ID 1 _Assembly.Name 'RNA-DNA duplex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DNA strand' 1 $entity_1 . . yes native yes yes . 'forms a duplex with component 2' . 52101 1 2 'RNA strand' 2 $entity_2 . . yes native yes yes . 'forms a duplex with component 1' . 52101 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'duplex formation' 52101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52101 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CTGACGGATCGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-12 _Entity.Polymer_author_seq_details 'G7 is [U-13C; U-15N] labeled' _Entity.Ambiguous_conformational_states yes _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 12 _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 ; Described above is the DNA strand of the hybrid, the complement RNA strand sequence is: gcgauucgucag ; _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 . DC . 52101 1 2 . DT . 52101 1 3 . DG . 52101 1 4 . DA . 52101 1 5 . DC . 52101 1 6 . DG . 52101 1 7 . DG . 52101 1 8 . DA . 52101 1 9 . DT . 52101 1 10 . DC . 52101 1 11 . DG . 52101 1 12 . DC . 52101 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 . DC 1 1 52101 1 . DT 2 2 52101 1 . DG 3 3 52101 1 . DA 4 4 52101 1 . DC 5 5 52101 1 . DG 6 6 52101 1 . DG 7 7 52101 1 . DA 8 8 52101 1 . DT 9 9 52101 1 . DC 10 10 52101 1 . DG 11 11 52101 1 . DC 12 12 52101 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52101 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GCGAUUCGUCAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 13-24 _Entity.Polymer_author_seq_details 'U18 is [15N-N3] labeled' _Entity.Ambiguous_conformational_states yes _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 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 ; Described above is the RNA strand of the hybrid, the complement DNA strand sequence is: CTGACGGATCGC ; _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 . 52101 2 2 . C . 52101 2 3 . G . 52101 2 4 . A . 52101 2 5 . U . 52101 2 6 . U . 52101 2 7 . C . 52101 2 8 . G . 52101 2 9 . U . 52101 2 10 . C . 52101 2 11 . A . 52101 2 12 . G . 52101 2 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 52101 2 . C 2 2 52101 2 . G 3 3 52101 2 . A 4 4 52101 2 . U 5 5 52101 2 . U 6 6 52101 2 . C 7 7 52101 2 . G 8 8 52101 2 . U 9 9 52101 2 . C 10 10 52101 2 . A 11 11 52101 2 . G 12 12 52101 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52101 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . synthetic 52101 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . synthetic 52101 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52101 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 52101 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 52101 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52101 _Sample.ID 1 _Sample.Name dGrU_pH7p4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'RNA-DNA hybrid duplex, in NMR buffer pH 7.4' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dGrU, RNA strand' [15N-N3]-rU18 . . 2 $entity_2 . . 0.8 0.7 0.9 mM . . . . 52101 1 2 'dGrU, DNA strand' '[U-13C; U-15N]-dG7' . . 1 $entity_1 . . 0.8 0.7 0.9 mM . . . . 52101 1 3 'Sodium Phosphate' 'natural abundance' . . . . . . 15 . . mM . . . . 52101 1 4 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 52101 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 52101 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52101 _Sample.ID 2 _Sample.Name dGrU_pH7p8 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'RNA-DNA hybrid duplex, in NMR buffer pH 7.8' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dGrU, RNA strand' [15N-N3]-rU18 . . 2 $entity_2 . . 0.8 0.7 0.9 mM . . . . 52101 2 2 'dGrU, DNA strand' '[U-13C; U-15N]-dG7' . . 1 $entity_1 . . 0.8 0.7 0.9 mM . . . . 52101 2 3 'Sodium Phosphate' 'natural abundance' . . . . . . 15 . . mM . . . . 52101 2 4 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 52101 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 52101 2 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 52101 _Sample_condition_list.ID 1 _Sample_condition_list.Name pH_7p4 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 51 . mM 52101 1 pH 7.4 . pH 52101 1 pressure 1 . atm 52101 1 temperature 298.2 . K 52101 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 52101 _Sample_condition_list.ID 2 _Sample_condition_list.Name pH_7p8 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 51 . mM 52101 2 pH 7.8 . pH 52101 2 pressure 1 . atm 52101 2 temperature 298.2 . K 52101 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52101 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version '10.6 Revision 2020.007.13.34' _Software.DOI . _Software.Details 'use an in-house python script for processing utilizing nmrPipe' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52101 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52101 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'FFSC 700' _NMR_spectrometer.Details 'Bruker Avance III 700 MHz spectrometer equipped with a HCN cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52101 _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 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52101 1 2 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52101 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52101 _Computing_platform.ID 1 _Computing_platform.Name 'in-house python2.7 scripts' _Computing_platform.Reference_ID . _Computing_platform.Site 'Duke University' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Entry_ID 52101 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name R1rho_dGrU_pH7p4_GN1 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 700 _Heteronucl_T1rho_list.Temp_calibration_method 'standard methanol sample' _Heteronucl_T1rho_list.Temp_control_method 'Heat compensation' _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 . _Heteronucl_T1rho_list.Text_data_format text _Heteronucl_T1rho_list.Text_data ; Folder,Offset,SLP,R1p,R1p_err,RedChiSq 939,765,800,5.787165712413953,0.38238383031115875,2.0902561598612617 938,510,800,7.660866002379944,0.3784368725180366,0.4751626511867729 933,-2295,800,3.878680495681275,0.30618484585068706,2.4334740279672262 932,-2040,800,4.533204646322796,0.2930837617439214,0.4491063791377349 931,-1785,800,4.934762420270267,0.3334400861586058,2.050923542643608 930,-1530,800,6.327150441535825,0.3746061566327511,0.09861171727572376 937,255,800,9.83325322942773,0.3952335317746134,0.38536519101526695 936,10,800,11.940870408701848,0.4490888355316134,0.5289435692432972 935,-2805,800,3.6869951529754794,0.335113489325415,0.5522019482799722 934,-2550,800,3.7021862518973654,0.3169114905947562,1.3179361443956206 995,4378,1250,2.892518578937507,0.31329730192601607,0.015774879991823282 994,3980,1250,3.1541773146266583,0.32024043016850484,0.28871963258900074 997,-477,1500,10.84141037503795,0.45448424943872456,2.9423929551196535 996,-10,1500,10.995559254363322,0.45416692813315224,8.781807912421787 991,2786,1250,3.22638227131134,0.3304355295257364,0.8582003985839041 990,2388,1250,3.6285289167086545,0.3001358677066154,1.3033859156906373 993,3582,1250,3.2765118654611323,0.3089508402282635,1.0206878965162824 992,3184,1250,2.791103671567452,0.2958173245974872,2.2688463493556177 999,-1431,1500,8.24645630535731,0.3982094948487766,0.8953285520147001 998,-954,1500,9.262746483208245,0.42580432749150526,2.7459351973913453 1014,2862,1500,3.5252077795750068,0.33350310316170023,0.5114332337055283 1015,3339,1500,3.2633416961265715,0.31158881522860016,0.35553905062120994 1016,3816,1500,3.258222053963481,0.3097999013812872,1.504036453050067 1017,4293,1500,3.169268355415413,0.3267960787820554,0.20215900198043318 1010,954,1500,6.5992687182836915,0.3754847778512908,2.5871781669841596 1011,1431,1500,5.121506512136236,0.3334971493442148,2.768422638014705 928,-1020,800,8.396859900176906,0.40294926502154493,0.3517999118869495 929,-1275,800,7.314232811258141,0.3670722255261998,0.05215571762249343 1012,1908,1500,4.410226164994179,0.34587458493314355,0.4686581132858022 920,1528,600,3.0996578037838733,0.3011462023677532,4.195911323850738 921,1719,600,2.94887363442545,0.3150696874461801,2.623323490292415 922,1910,600,3.065003053627605,0.3247945285300997,0.09754722351287104 923,2101,600,2.7840109245003903,0.3005365350432529,2.476431544900395 924,-10,800,12.501379510418555,0.4926101351634057,4.572777984857685 925,-255,800,12.916993774273418,0.49949110655537826,0.5506339266582646 926,-510,800,11.43599260454354,0.4296193787761935,0.792502220645744 927,-765,800,10.318728649664136,0.42910654853677643,2.8291421832304113 1019,5247,1500,3.050953048872886,0.34841657506014173,0.6812243485266092 988,1592,1250,4.492599635661774,0.3015790753963492,0.10109975751417973 989,1990,1250,3.851798314493078,0.3188589438729998,0.23416964708089277 982,-3980,1250,3.432142359783093,0.3034546199720656,2.680950472828754 983,-4378,1250,3.219986547344868,0.32910288402926535,0.929096586680784 980,-3184,1250,3.75839622597603,0.330746011248293,0.07547133042314946 981,-3582,1250,3.4353926132023203,0.336022071451636,4.232089162410443 986,796,1250,7.119835241646349,0.37683300883610127,0.9364446698521405 987,1194,1250,5.514244172452215,0.3576011315585802,0.759887128107456 984,10,1250,10.30231487267647,0.4135604196547364,0.9719196740352432 985,398,1250,8.399968180533605,0.4067711692325399,0.2724334043309369 919,1337,600,3.651354982688747,0.30603920378910127,3.422899513452659 918,1146,600,3.670979593463843,0.3193898915827611,0.4689401842347045 915,573,600,6.081449409961855,0.4052884652724097,0.2537566037312071 914,382,600,7.790664789571008,0.3797670382477854,1.057521603764632 917,955,600,4.062518741433441,0.3602247655310776,0.1462434883175901 916,764,600,4.83796579785632,0.3444614908620016,0.08506992642304827 911,-2101,600,3.599740217666369,0.32402927340774645,0.21641453302258226 910,-1910,600,4.145845961379778,0.3621662764552972,0.04284082290327655 913,191,600,10.227876492140288,0.4423110448499432,0.763067448201612 912,10,600,12.224260922920342,0.44642566697369274,1.7052982520489737 902,-382,600,11.801469477663678,0.4674277339561772,0.8223682590884004 903,-573,600,10.431121013632726,0.4669283340515771,2.0371629906673965 900,-10,600,13.63916290594222,0.47934394930533875,3.0249062462427565 901,-191,600,13.593960606216154,0.45841350145188636,4.731387853350189 906,-1146,600,7.126928659851223,0.3424994951256807,0.7974378099361441 907,-1337,600,6.408407090745275,0.37110627800138296,0.28905541658168155 904,-764,600,9.058760019249158,0.42118177402934004,1.1421616375751036 905,-955,600,7.975923892367945,0.37557270325955383,0.7110497808751436 908,-1528,600,5.474261726685513,0.3323561368643289,0.6020371457889214 909,-1719,600,4.921027304758805,0.3619500555792946,0.6414692775022509 1009,477,1500,8.425777671612435,0.3606493172167273,0.18357658497946422 1008,10,1500,10.060755767300744,0.4319197157479058,1.2743432223896611 1007,-5247,1500,3.3160958603849515,0.30928335970924503,2.2202944740137323 1006,-4770,1500,3.541058629297176,0.3438974504145706,1.598431372791701 1005,-4293,1500,3.271327222018807,0.3289281362456782,2.8492129252090312 1004,-3816,1500,3.3119835935320276,0.3367063378755253,0.8315808968782451 1003,-3339,1500,3.8519874893500625,0.30676088932857964,7.350203573700055 1002,-2862,1500,4.291289281471931,0.3508464515422613,0.9782741548376308 1001,-2385,1500,5.040022626629436,0.34596569318100784,6.028814886028956 1000,-1908,1500,6.22482737203113,0.34705834131747826,3.193266157430117 977,-1990,1250,6.002761581966403,0.3375160866616274,0.5048503035745512 976,-1592,1250,7.238296586078603,0.3658552002271749,0.5611508403266954 975,-1194,1250,8.874435659434027,0.37174689970479213,1.6343889253624688 974,-796,1250,10.459524587944053,0.4409602828063129,3.7664693623588557 973,-398,1250,11.38064602259795,0.4664047417666964,1.956510666155224 972,-10,1250,12.052206972436027,0.4690726474641119,9.073268050097482 971,3498,1000,3.17495217254152,0.3388827528674067,0.06676594903185638 970,3180,1000,2.894104716374538,0.3331190084967472,1.4847523994504248 1013,2385,1500,4.026701597153534,0.3187457744917138,1.9219919247170978 979,-2786,1250,4.024920869078502,0.3323513419627441,2.801924983133958 978,-2388,1250,4.94304149091468,0.30189571913833424,0.7061205153565562 964,1272,1000,4.823724990797783,0.3223929701348035,0.26191404952359165 965,1590,1000,4.0933999682525055,0.3221553930227664,0.4271156773836684 966,1908,1000,3.6218122272908366,0.32549662838136956,1.3721443580560078 967,2226,1000,3.2927496146395026,0.3375825818728753,0.395769947198067 960,10,1000,11.25372465125544,0.4833514912963362,0.4614473430560891 961,318,1000,9.398420894484506,0.4040356022745637,0.09548823396462135 962,636,1000,7.2630345091026856,0.37379559780075905,1.8908856661776632 963,954,1000,5.670464114237461,0.3226317843627426,0.1824206495926611 968,2544,1000,3.247565850964646,0.3463766402469624,0.862991580419818 969,2862,1000,2.939269997841927,0.32700936051230733,1.0695445069478737 959,-3498,1000,3.1213078655846944,0.3344278992170023,2.1698610842658805 958,-3180,1000,3.4274448927960885,0.34753770888591357,0.03197684905845093 951,-954,1000,9.451230594690326,0.4092530323820094,0.21174692186336774 950,-636,1000,11.426643247248336,0.441237319348043,2.3302252537198673 953,-1590,1000,6.626152575030564,0.35096089079267256,3.921080173220106 952,-1272,1000,8.38025852934282,0.39451443165060057,0.4233532752507585 955,-2226,1000,4.594150954528784,0.3620271391918428,6.728343599417401 954,-1908,1000,5.32793055047817,0.3952303030562159,1.0326881721606584 957,-2862,1000,3.5639189931825856,0.32265490268679375,0.42690281292584437 956,-2544,1000,3.4500278320236073,0.33549863031222293,0.0037049973909600315 1018,4770,1500,2.668214812239586,0.3226308075303058,2.031537088731107 948,-10,1000,12.201494854878003,0.49144139766049544,3.8228589845538283 949,-318,1000,12.36857122315775,0.44266160965935974,9.894449135572458 946,2550,800,3.0045424776368153,0.3010746009690224,0.5055782015457183 947,2805,800,2.5118510595346812,0.30914218540857547,0.2442857193554261 944,2040,800,3.096345898423148,0.2757029302668131,0.3523990003556326 945,2295,800,3.1938762011627313,0.32142722483539576,1.0158546655784486 942,1530,800,3.5875534495367183,0.3388978712286693,0.6794458375858353 943,1785,800,3.5839706772093534,0.3429310251115943,0.0015844036866059486 940,1020,800,5.001031991499924,0.33417507125961243,0.16870772417552996 941,1275,800,4.279257418258469,0.32645137862705137,0.7602767209312207 ; 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 1 'T1rho/R1rho relaxation' . . . 52101 1 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 1 $software_1 . . 52101 1 stop_ save_ save_heteronucl_T1rho_relaxation_2 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_2 _Heteronucl_T1rho_list.Entry_ID 52101 _Heteronucl_T1rho_list.ID 2 _Heteronucl_T1rho_list.Name R1rho_dGrU_pH7p4_UN3 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 700 _Heteronucl_T1rho_list.Temp_calibration_method 'direct thermocouple measurement' _Heteronucl_T1rho_list.Temp_control_method 'Heat compensation' _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 . _Heteronucl_T1rho_list.Text_data_format text _Heteronucl_T1rho_list.Text_data ; Folder,Offset,SLP,R1p,R1p_err,RedChiSq 939,573,600,8.421741479207348,0.5751377536662194,0.055532345745090944 938,382,600,10.619716219770162,0.6000259580646387,1.2999440447688704 933,-1719,600,8.353344458327026,0.581461701549438,2.889692811263863 932,-1528,600,7.743789828949203,0.567633184063626,0.5845122289756881 931,-1337,600,7.955504559035786,0.5540905558076794,0.0986404057604414 930,-1146,600,8.544799197234624,0.5438435287556006,0.01735542203545802 937,191,600,14.433193149355853,0.7352419611724189,3.199265435728262 936,10,600,16.78745823099665,0.7183515079084877,2.5095574517687758 935,-2101,600,7.985056688547966,0.4982742068030545,2.8004106804425946 934,-1910,600,7.698305684073577,0.5467929963798255,6.825668357065612 995,3498,1000,2.591359981394097,0.48853407197924253,0.2014481680256136 994,3180,1000,2.9300593012409517,0.46314253318006765,4.49900223114262 997,-477,1500,17.444674375856657,0.7421082889165544,0.028898208229526275 996,-10,1500,17.490080493701477,0.7909565563028851,2.788193506771609 991,2226,1000,3.636183564325089,0.48260830026720813,5.80271363871017 990,1908,1000,3.9978810934973765,0.5194692177895992,6.544105620850925 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921,1143,400,3.2631468216392503,0.4544775092962018,0.4651331897749022 922,1270,400,3.475103285675352,0.4902695649284954,0.00957074461116677 923,1397,400,2.8091464743360013,0.4640247366201253,4.781106543652931 924,-10,600,19.22542933394718,0.8118499717244755,5.660778309767582 925,-191,600,18.868032809411616,0.7843694434328822,1.978142847624312 926,-382,600,16.273068483677722,0.7297920613027934,0.5133186739424918 927,-573,600,13.13153330819333,0.6214775975815253,0.3475881527511166 1019,5247,1500,2.758146490117932,0.516121861881137,2.0222863363747114 988,1272,1000,5.628555842738597,0.5511900945210412,2.8600841408333717 989,1590,1000,4.499919745505408,0.550596376019068,3.5043482143953852 982,-3180,1000,9.616341332594045,0.6330130844924048,0.0019228168845034784 983,-3498,1000,8.758199436078545,0.5323462277197273,0.38694514869077135 980,-2544,1000,11.831538338049643,0.583302354836895,2.9554942370719255 981,-2862,1000,11.0626627340903,0.6536223881387285,0.22031373822454886 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944,1528,600,3.566138707659004,0.5377305732280474,1.12548746340381 945,1719,600,2.7844498244337927,0.5022565120472525,7.573527483928133 942,1146,600,4.632210788458413,0.5396545232223767,3.3895918241829275 943,1337,600,3.876466464978468,0.5074146112773784,1.6157715270144128 940,764,600,6.6233519046812726,0.5504057467949162,0.025132488856181554 941,955,600,5.202398679347774,0.4952299992112324,0.8845111538700339 ; 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 1 'T1rho/R1rho relaxation' . . . 52101 2 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 1 $software_1 . . 52101 2 stop_ save_ save_heteronucl_T1rho_relaxation_3 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_3 _Heteronucl_T1rho_list.Entry_ID 52101 _Heteronucl_T1rho_list.ID 3 _Heteronucl_T1rho_list.Name R1rho_dGrU_pH7p8_GN1 _Heteronucl_T1rho_list.Sample_condition_list_ID 2 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 700 _Heteronucl_T1rho_list.Temp_calibration_method 'direct thermocouple measurement' _Heteronucl_T1rho_list.Temp_control_method 'Heat compensation' _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 . _Heteronucl_T1rho_list.Text_data_format text _Heteronucl_T1rho_list.Text_data ; Folder,Offset,SLP,R1p,R1p_err,RedChiSq 934,1556,1000,4.781146597537846,0.2480335913077496,3.8513954877691248 945,-2820,1450,4.9797453238663465,0.24602247832321988,9.54746340050664 968,-6224,2000,3.7039424133307843,0.2534948037530886,7.559075254183689 969,-7002,2000,3.968669231722095,0.24905242564017385,6.415691497051078 979,7002,2000,3.6938242338697607,0.25419085362973726,3.7865853276650308 976,4668,2000,3.9557816326029904,0.25123887839147824,5.951524940127715 949,-5076,1450,3.641939566188779,0.2553026316055146,3.247706097355839 941,-564,1450,12.07402636977194,0.37835807563490403,7.249826983656604 959,5076,1450,3.361320228377732,0.241853553419796,3.0512027481246675 958,4512,1450,3.647678684375752,0.24704470886458613,4.840323210330217 975,3890,2000,4.220343628640959,0.25277492274712643,6.3303713595409326 974,3112,2000,4.371977565301752,0.25855070871542835,11.186533218182513 973,2334,2000,5.286115630556123,0.2496932907477948,1.937596261354505 962,-1556,2000,8.109045462960339,0.31385981377462346,5.424044303204889 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935,1945,1000,4.125740713700613,0.25449736175693266,3.7759515278156925 947,-3948,1450,3.8030444386319653,0.22174050786605706,8.73654036186795 920,-10,1000,13.358819263992176,0.39423968562191486,12.595785196269151 921,-389,1000,13.664014377741275,0.41962058437534205,4.600272965758644 922,-778,1000,11.814583114729095,0.3501951128949561,0.9629005816723969 923,-1167,1000,9.24402404714923,0.32712544417022693,8.745502341336573 924,-1556,1000,7.457764117229776,0.3061846668415565,3.340917185340404 925,-1945,1000,5.869789390296508,0.2628724335436298,8.967760323080828 926,-2334,1000,4.843109924861337,0.25784923923932795,6.945312026405528 927,-2723,1000,4.422054462687942,0.24079070380623877,3.173860729316177 ; 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 'T1rho/R1rho relaxation' . . . 52101 3 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 1 $software_1 . . 52101 3 stop_ save_ save_heteronucl_T1rho_relaxation_4 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_4 _Heteronucl_T1rho_list.Entry_ID 52101 _Heteronucl_T1rho_list.ID 4 _Heteronucl_T1rho_list.Name R1rho_dGrU_pH7p8_UN3 _Heteronucl_T1rho_list.Sample_condition_list_ID 2 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 700 _Heteronucl_T1rho_list.Temp_calibration_method 'direct thermocouple measurement' _Heteronucl_T1rho_list.Temp_control_method 'Heat compensation' _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 . _Heteronucl_T1rho_list.Text_data_format text _Heteronucl_T1rho_list.Text_data ; Folder,Offset,SLP,R1p,R1p_err,RedChiSq 939,-3213,1250,18.127329554644536,0.8211039252465913,0.3142061745698898 938,-2856,1250,18.48240930206477,0.8268518171512801,0.4950301831318794 933,-1071,1250,21.518826349347755,0.8892167931021958,0.7865371709077903 932,-714,1250,24.980642961039152,1.0372657166161965,0.7351681172729472 931,-357,1250,25.54108104341648,0.967869147781356,8.608694822019052 930,-10,1250,25.147609175332065,0.9812306287575967,1.3739715590191337 937,-2499,1250,19.456835572806344,0.8525747936866478,0.0016597841302923178 936,-2142,1250,19.698114999192498,0.8014043873237116,5.44804696725161e-06 935,-1785,1250,19.790716263842576,0.7640727748131286,3.120856028212872 934,-1428,1250,20.893547570621763,0.8369779853510405,2.185314025929042 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_Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 2 'T1rho/R1rho relaxation' . . . 52101 4 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 1 $software_1 . . 52101 4 stop_ save_