data_52102 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52102 _Entry.Title ; dTrG-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 dT-N3 and rG-N1 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 52102 2 Atul Rangadurai . K. . 0000-0003-2019-313X 52102 3 Stephanie Gu . . . 0000-0002-6337-3731 52102 4 Akanksha Manghrani . . . 0000-0002-6498-7305 52102 5 Serafima Guseva . . . 0000-0001-9706-5035 52102 6 Hashim Al-Hashimi . M. . . 52102 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' . 52102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_T1rho_relaxation 4 52102 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 . 52102 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52101 'dGrU-RNA-DNA-Hybrid R1rho' 52102 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52102 _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 . . . . 52102 1 2 Atul Rangadurai . K. . . 52102 1 3 Stephanie Gu . . . . 52102 1 4 Akanksha Manghrani . . . . 52102 1 5 Serafima Guseva . . . . 52102 1 6 Hashim Al-Hashimi . M. . . 52102 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' 52102 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52102 _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 duplex with dTrG RNA strand' . 52102 1 2 'RNA strand' 2 $entity_2 . . yes native yes yes . 'forms duplex with dTrG DNA strand' . 52102 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' 52102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52102 _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 ; CTGACGTATCGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-12 _Entity.Polymer_author_seq_details 'T7 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: gcgaugcgucag ; _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 . 52102 1 2 . DT . 52102 1 3 . DG . 52102 1 4 . DA . 52102 1 5 . DC . 52102 1 6 . DG . 52102 1 7 . DT . 52102 1 8 . DA . 52102 1 9 . DT . 52102 1 10 . DC . 52102 1 11 . DG . 52102 1 12 . DC . 52102 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 52102 1 . DT 2 2 52102 1 . DG 3 3 52102 1 . DA 4 4 52102 1 . DC 5 5 52102 1 . DG 6 6 52102 1 . DT 7 7 52102 1 . DA 8 8 52102 1 . DT 9 9 52102 1 . DC 10 10 52102 1 . DG 11 11 52102 1 . DC 12 12 52102 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52102 _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 ; GCGAUGCGUCAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 13-18 _Entity.Polymer_author_seq_details 'G18 is [15N-N1] 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: CTGACGTATCGC ; _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 . 52102 2 2 . C . 52102 2 3 . G . 52102 2 4 . A . 52102 2 5 . U . 52102 2 6 . G . 52102 2 7 . C . 52102 2 8 . G . 52102 2 9 . U . 52102 2 10 . C . 52102 2 11 . A . 52102 2 12 . G . 52102 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 52102 2 . C 2 2 52102 2 . G 3 3 52102 2 . A 4 4 52102 2 . U 5 5 52102 2 . G 6 6 52102 2 . C 7 7 52102 2 . G 8 8 52102 2 . U 9 9 52102 2 . C 10 10 52102 2 . A 11 11 52102 2 . G 12 12 52102 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 52102 _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 52102 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . synthetic 52102 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 52102 _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' . . . . . . . . . . . . . . . . 52102 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 52102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52102 _Sample.ID 1 _Sample.Name dTrG_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 'dTrG, RNA strand' [15N-N1]-rG18 . . 2 $entity_2 . . 0.7 0.5 0.9 mM . . . . 52102 1 2 'dTrG, DNA strand' '[U-13C; U-15N]-dT7' . . 1 $entity_1 . . 0.7 0.5 0.9 mM . . . . 52102 1 3 'Sodium Phosphate' 'natural abundance' . . . . . . 15 . . mM . . . . 52102 1 4 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 52102 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 52102 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52102 _Sample.ID 2 _Sample.Name dTrG_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 'dTrG, RNA strand' [15N-N1]-rG18 . . 2 $entity_2 . . 0.7 0.5 0.9 mM . . . . 52102 2 2 'dTrG, DNA strand' '[U-13C; U-15N]-dT7' . . 1 $entity_1 . . 0.7 0.5 0.9 mM . . . . 52102 2 3 'Sodium Phosphate' 'natural abundance' . . . . . . 15 . . mM . . . . 52102 2 4 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 52102 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 52102 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 52102 _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 52102 1 pH 7.4 . pH 52102 1 pressure 1 . atm 52102 1 temperature 298.2 . K 52102 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 52102 _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 52102 2 pH 7.8 . pH 52102 2 pressure 1 . atm 52102 2 temperature 298.2 . K 52102 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52102 _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 . 52102 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 52102 _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 52102 _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 . . . . . . . . . . . . . . . . . 52102 1 2 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52102 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52102 _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 52102 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name R1rho_dTrG_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 'a 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 939,2799,800,2.300348937810845,0.2851129062167972,0.21475106756145862 938,2488,800,2.5958056896951534,0.3230028897519723,1.8673079065938722 933,933,800,4.293771421470318,0.3111217346388108,1.5108590253742935 932,622,800,5.753733205257801,0.35820900353375945,0.8935372142853626 931,311,800,7.744573853836787,0.3735693389033867,0.7700336187001153 930,10,800,9.426352843062148,0.4163346137237366,3.283070931979819 937,2177,800,2.7241681494462897,0.29041196512388384,1.5029604136185468 936,1866,800,2.8767200689985715,0.3048028149782499,0.8391450661309189 935,1555,800,3.227166870982074,0.29419810817820774,4.215406540496818 934,1244,800,3.859481075883612,0.3077249420730829,0.12583911302989842 995,3500,1800,2.9711046176749223,0.3047977321618962,1.6253832983757999 994,2800,1800,3.63477545449305,0.2885853159194325,0.5904518501243788 997,4900,1800,2.5750547236330323,0.31235333562170864,2.548152038207753 996,4200,1800,2.674034538368257,0.3000068458232411,0.2036073740611524 991,700,1800,7.102493307990368,0.3845376738293526,1.3689362431020493 990,10,1800,8.473011209476892,0.3845562402306888,4.850736327167166 993,2100,1800,4.083545849304172,0.3423699697702322,0.717603803609135 992,1400,1800,5.258490464799731,0.36289614131457526,1.8954134121412847 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980,-10,1800,9.645208704452957,0.4361078982711616,0.843898722811037 981,-700,1800,9.310469976044661,0.4395423955119709,0.1743550278697449 986,-4200,1800,3.4814791436185875,0.29546920403854865,1.4504466772715634 987,-4900,1800,3.207800839270517,0.33159292398239626,7.627821164979463 984,-2800,1800,5.3988916724266875,0.3259344808565465,1.2012252908386645 985,-3500,1800,4.11613941759048,0.33090555282211437,0.9375542924480595 919,2097,600,2.8261108120821756,0.2839462530478993,7.206210773983908 918,1864,600,2.599144236159411,0.2846388728235133,1.9901300655767074 915,1165,600,3.0955456479750123,0.3226741552529334,2.0586051432015027 914,932,600,3.809658907122065,0.33384308357193543,3.916947097891738 917,1631,600,2.8757259689150483,0.29551189375708425,3.3175483951542666 916,1398,600,2.945041213564828,0.3235477168527418,1.1015445617365704 911,233,600,7.73184238211659,0.40599272479232157,0.11620666519764793 910,10,600,9.836692172930977,0.47187715501996175,2.927618094353085 913,699,600,4.154324098603285,0.29267366323560395,2.4486165116767586 912,466,600,6.047007735538798,0.3591703772050531,0.08105094457428115 902,-466,600,8.068662917792041,0.4120086236607063,2.6429527471667886 903,-699,600,6.482547908756011,0.32766225898730983,2.5361778251961544 900,-10,600,10.57165148659173,0.48317454000848087,5.897890697531664 901,-233,600,9.720457051278586,0.44261151789626124,1.3804780278574276 906,-1398,600,4.385795594156644,0.3402291500123092,1.271231049283718 907,-1631,600,4.74712005500754,0.34570420258307205,2.4223178525455666 904,-932,600,5.670597275186782,0.3402002935737984,1.999966284841993 905,-1165,600,4.844749032483908,0.34090736781993813,0.7028245134433982 908,-1864,600,4.451744031525167,0.3259589810063668,5.40783234054779 909,-2097,600,4.158670160629521,0.2958439503024283,1.829111820109476 977,4081,1500,2.9471883612907055,0.3161663181869555,3.5725390581604217 976,3498,1500,2.8830049644659286,0.31275752818858804,0.642837298374776 975,2915,1500,3.0462207043699374,0.30641616024133683,0.4987985151528136 974,2332,1500,3.204446998108696,0.30898769566256745,5.040662768877555 973,1749,1500,4.329562560686989,0.3288188171149754,2.502852142443702 972,1166,1500,5.101607807324599,0.3378925726658288,1.240731022363693 971,583,1500,7.023321699875758,0.3513682318804239,1.1687930697850604 970,10,1500,8.623784449885369,0.4233128927479015,2.08761355470176 979,5247,1500,2.6735673936784865,0.30574328495548075,0.24908119947791657 978,4664,1500,2.7725392508638333,0.29366037858489774,1.944599254390186 964,-2332,1500,6.227238043048974,0.3358379546298994,2.57058676611453 965,-2915,1500,4.635580738708863,0.33859649331822667,0.36868563547570066 966,-3498,1500,3.8839418812702085,0.30259834069545505,2.8420526021232386 967,-4081,1500,3.156310854243986,0.2971109436463623,0.7975105988769512 960,-10,1500,9.84162980393745,0.457373333290453,8.66624645686911 961,-583,1500,9.673899651506947,0.4449309410922507,0.27339428764335966 962,-1166,1500,8.505366667770806,0.4004842065747596,1.481091184618497 963,-1749,1500,7.057610527696137,0.36386742733485883,0.5904305967075199 968,-4664,1500,2.727902867280631,0.32263400597215314,1.9309006945887977 969,-5247,1500,2.8336916595159836,0.3057481419111655,3.3777539651315847 959,3501,1000,2.526409550389478,0.30027791704923185,1.495306071713066 958,3112,1000,2.3538616081637382,0.33656475178868284,2.2434970183072425 951,389,1000,7.471306248521904,0.36761994323339114,1.9182909256311154 950,10,1000,8.92714238314183,0.4163508616660862,0.39415998546555975 953,1167,1000,4.406174993362237,0.33025029550754237,2.790166649499127 952,778,1000,5.670881715958599,0.3510498580043482,1.0256945499054428 955,1945,1000,3.138287004180533,0.3067304211698793,2.1523522060741502 954,1556,1000,3.7176296428938578,0.29684532496111793,1.995856065670091 957,2723,1000,2.7727998406626173,0.2969918347349747,3.4154755820385554 956,2334,1000,3.0096915181391015,0.3149293498521673,0.4699578621280376 948,-3112,1000,3.5307856914594504,0.3125731227608621,6.33039651810685 949,-3501,1000,3.2509469886393214,0.31960256911189416,0.04162302580778425 946,-2334,1000,4.94918293184091,0.32705050741296365,0.004195541019323893 947,-2723,1000,4.597333103146258,0.3491871083811105,0.6356386422706105 944,-1556,1000,6.413039987768705,0.3700124219343127,0.04218095221286811 945,-1945,1000,5.617022145166539,0.35097928093707226,0.1537457365852498 942,-778,1000,8.067309953710748,0.39764294864529054,0.20416172297862664 943,-1167,1000,7.156196410746379,0.3627185425861133,1.9119363933944686 940,-10,1000,10.317885554316016,0.42298417013108597,7.1748453438859325 941,-389,1000,9.654038930738386,0.3912766888837945,0.29334170978534146 ; 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' . . . 52102 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 . . 52102 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 52102 _Heteronucl_T1rho_list.ID 2 _Heteronucl_T1rho_list.Name R1rho_dTrG_pH7p4_TN1 _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 939,2799,800,2.5210786209514477,0.33899873450750323,0.13614655947963153 938,2488,800,2.8952445398512707,0.32582947949271485,0.3244508133877141 933,933,800,3.9422875545265468,0.3587828059060453,7.33988490336512 932,622,800,5.4425986052330355,0.3614431821446947,2.100739660547183 931,311,800,7.327348553173067,0.4053955461797788,0.08744024110703735 930,10,800,8.722220349852265,0.4260932468943316,0.6829642203442903 937,2177,800,2.8480430559917544,0.3205240944115112,2.6027994675625217 936,1866,800,2.778205508020389,0.2991335098826624,0.3710293145965174 935,1555,800,2.9910564563993614,0.3260126649118553,0.41532587116516057 934,1244,800,3.7436525013812854,0.3035842406963889,0.6111653852240403 995,3500,1800,3.3349359032318193,0.34317818048486765,1.5653189041074762 994,2800,1800,3.716142494226816,0.3103901507238504,1.0755191214949964 997,4900,1800,3.100964066767506,0.351187981261357,4.019718232153129 996,4200,1800,3.0245534406855055,0.31829517143373875,8.774174379651765 991,700,1800,6.332596656260391,0.398130504339661,5.52624644972666 990,10,1800,7.775138041680168,0.411785292958171,1.8267877406045852 993,2100,1800,4.042794854381995,0.33579045236287064,1.9787497009970327 992,1400,1800,4.857087510585176,0.3444822170751327,0.918139443477259 998,5600,1800,2.526958510486544,0.31041660271469196,3.8150831707111115 928,-2488,800,3.3429229395992905,0.3117623624569818,3.8894959095701243 929,-2799,800,3.2945385682977193,0.31796291628089784,2.9572234761311935 920,-10,800,9.849023302150949,0.4800041747106284,3.6754587364008358 921,-311,800,9.122641880541508,0.44816342096085265,0.25009925975538705 922,-622,800,8.362254824140619,0.43647949870113967,0.546484036211384 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979,5247,1500,2.784230756994953,0.3145183134291074,0.13388408335401936 978,4664,1500,2.532672611317706,0.3158715508961784,2.111108986251084 964,-2332,1500,5.037928130505913,0.37585896435230837,2.258934168592093 965,-2915,1500,3.748306222453085,0.3504171378833355,0.6513565921627011 966,-3498,1500,3.189859818326497,0.3176159981270439,4.3686871552227355 967,-4081,1500,3.0900170206221533,0.3645825518711019,1.4617199400188627 960,-10,1500,9.118415695464385,0.48154254304967103,2.088687762299126 961,-583,1500,8.29707479017623,0.4383952088623998,4.974221864122388 962,-1166,1500,7.22960629562018,0.3903309736634509,1.8186434931694975 963,-1749,1500,5.9707557464794245,0.3652728975220473,0.921941479124279 968,-4664,1500,3.1631698002676623,0.3228239134841508,0.3926567573296194 969,-5247,1500,2.818368879632533,0.31989996772721335,2.3831983933091907 959,3501,1000,2.9418074738374957,0.3093331182985928,5.419809534279571 958,3112,1000,2.9501170818838207,0.32551884790236135,1.620721554989882 951,389,1000,7.143248700998256,0.3775572829791936,2.0832878282394156 950,10,1000,8.508311884134086,0.4493227349524616,1.827629793933359 953,1167,1000,4.318499070985998,0.34896295548218553,3.0885970189812735 952,778,1000,5.078578482271194,0.3518133558898316,8.064647381149697 955,1945,1000,3.115561766879105,0.33290975576498094,4.902931839541623 954,1556,1000,3.8019196281183913,0.3409419755118671,4.605852682739821 957,2723,1000,2.8128821935780057,0.306697204759414,0.9266475346467096 956,2334,1000,2.5473483092018148,0.3131757301135544,2.983588155566542 948,-3112,1000,3.0902413392547774,0.34332899030097586,1.538530228669129 949,-3501,1000,2.6931438077532723,0.3140665862328149,0.1334757125376226 946,-2334,1000,3.9134721720663626,0.3432220708619849,1.6529048915146247 947,-2723,1000,3.6370582736426798,0.30803278497161163,0.6998357342642056 944,-1556,1000,5.5619325468385,0.34297855666518917,2.0031813111279595 945,-1945,1000,4.573918525563829,0.37516604996277014,2.7031668313417527 942,-778,1000,7.938778001878669,0.3821021307614668,1.4531489571716598 943,-1167,1000,6.547891586485351,0.3774522624580963,1.5465873229557774 940,-10,1000,9.623211836888563,0.4183003922191575,0.697851791464156 941,-389,1000,8.902611559558252,0.45097232619148653,3.8804316907576815 ; 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' . . . 52102 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 . . 52102 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 52102 _Heteronucl_T1rho_list.ID 3 _Heteronucl_T1rho_list.Name R1rho_dTrG_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 939,1146,1200,5.030780839440532,0.17428972481766378,0.2064604122719769 938,764,1200,6.206341431518129,0.1754930636938477,3.6916095688823036 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962,1018,1600,6.041589003666143,0.17148730831343165,0.7187384377815339 963,1527,1600,4.892356979806855,0.1599675981039959,1.3752003293003185 968,4072,1600,2.9810216064744335,0.12834388421412557,1.0945591312206442 969,4581,1600,2.8395954993585453,0.12990604033055966,0.45315744465868635 959,-5599,1600,2.762076481580804,0.14089219155172245,0.42567857396725417 958,-5090,1600,2.8710738232096773,0.1333827229535655,1.7793488712584749 951,-1527,1600,7.518696342177272,0.18625104643492815,0.6505911626832047 950,-1018,1600,8.44335399072288,0.21012100700479702,0.011875748265817752 953,-2545,1600,5.690994029362197,0.17500149935862538,0.4247580248979348 952,-2036,1600,6.4881033609294905,0.17336408550162838,0.8557982147909653 955,-3563,1600,3.94064780204388,0.1434883341378297,1.1575395320408903 954,-3054,1600,4.627544201838304,0.15461252473654355,0.2910403687622123 957,-4581,1600,3.0793185998036376,0.15466491015030837,0.5581342128925693 956,-4072,1600,3.5967068181370103,0.1393693624255207,0.594116823518033 948,-10,1600,9.253033876918815,0.22219093072047202,0.7076445232413132 949,-509,1600,9.219419542649952,0.21443169440499807,1.694788531803372 946,3820,1200,2.6604897092452573,0.13347366373281044,0.5607856103369653 947,4202,1200,2.6068284801261035,0.13484131545164366,2.7757955068143185 944,3056,1200,3.0136179678006254,0.15720110820252983,1.7885843604867402 945,3438,1200,2.945509460254914,0.1478236441562126,0.0159833101953906 942,2292,1200,3.216048905108572,0.14004121015004778,0.34457928577594304 943,2674,1200,3.16144121469117,0.1476967547070464,0.16086567240483413 940,1528,1200,4.1722867405072686,0.15453026908563167,0.31366615109268303 941,1910,1200,3.6767957651465295,0.1400175994970448,1.0536014071392443 ; 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' . . . 52102 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 . . 52102 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 52102 _Heteronucl_T1rho_list.ID 4 _Heteronucl_T1rho_list.Name R1rho_dTrG_pH7p8_TN3 _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 939,954,1000,5.150534007512415,0.16095674594720838,5.006853235301401 938,636,1000,6.24393592296759,0.1907622757432114,2.001489889896792 933,-2862,1000,4.048404447750443,0.16065936702034142,0.1944082604079448 932,-2544,1000,4.420412844140411,0.1535557139894043,0.5371159747847266 931,-2226,1000,4.620742003580232,0.17113417286296967,0.5300355342289833 930,-1908,1000,5.282037013816872,0.17026668042124962,0.13361585611409818 937,318,1000,8.016156995150649,0.21115388196283413,1.1085545874576015 936,10,1000,9.119590663752279,0.20973878222981365,1.331215619520636 935,-3498,1000,3.780789883179027,0.15122563217877724,0.20712677158647652 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943,2226,1000,3.3042169797873773,0.15483008617291277,0.9397652121601108 940,1272,1000,4.3251758788322645,0.17416079106733845,0.046674973814336364 941,1590,1000,3.6409527483677375,0.15774068339568098,0.8122433277912284 ; 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' . . . 52102 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 . . 52102 4 stop_ save_