data_26505 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26505 _Entry.Title ; 13C NMR Relaxation Studies of RNA Base and Ribose Nuclei Reveal a Complex Pattern of Motions in the RNA Binding Site for Human U1A Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-22 _Entry.Accession_date 2015-01-22 _Entry.Last_release_date 2015-02-11 _Entry.Original_release_date 2015-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Zahra Shajani . . . 26505 2 Gabriele Varani . . . 26505 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 26505 heteronucl_T1_relaxation 2 26505 heteronucl_T1rho_relaxation 2 26505 order_parameters 2 26505 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 97 26505 'T1 relaxation values' 98 26505 'T1rho relaxation values' 98 26505 'order parameters' 65 26505 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 . . 2015-02-11 2015-01-22 original author . 26505 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26505 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15890361 _Citation.Full_citation . _Citation.Title '13C NMR Relaxation Studies of RNA Base and Ribose Nuclei Reveal a Complex Pattern of Motions in the RNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 349 _Citation.Journal_issue 4 _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 699 _Citation.Page_last 715 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zahra Shajani . . . 26505 1 2 Gabriele Varani . . . 26505 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26505 _Assembly.ID 1 _Assembly.Name 'U1A Protein' _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 '3'-untranslated region' 1 $3'-UTR A . yes native no no . . . 26505 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_3'-UTR _Entity.Sf_category entity _Entity.Sf_framecode 3'-UTR _Entity.Entry_ID 26505 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 3'-UTR _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 ; GGCAGAGUCCUUCGGGACAU UGCACCUGCC ; _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 30 _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 19 G . 26505 1 2 20 G . 26505 1 3 21 C . 26505 1 4 22 A . 26505 1 5 23 G . 26505 1 6 24 A . 26505 1 7 25 G . 26505 1 8 26 U . 26505 1 9 27 C . 26505 1 10 28 C . 26505 1 11 29 U . 26505 1 12 30 U . 26505 1 13 33 C . 26505 1 14 34 G . 26505 1 15 35 G . 26505 1 16 36 G . 26505 1 17 37 A . 26505 1 18 38 C . 26505 1 19 39 A . 26505 1 20 40 U . 26505 1 21 41 U . 26505 1 22 42 G . 26505 1 23 43 C . 26505 1 24 44 A . 26505 1 25 45 C . 26505 1 26 46 C . 26505 1 27 47 U . 26505 1 28 48 G . 26505 1 29 49 C . 26505 1 30 50 C . 26505 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 26505 1 . G 2 2 26505 1 . C 3 3 26505 1 . A 4 4 26505 1 . G 5 5 26505 1 . A 6 6 26505 1 . G 7 7 26505 1 . U 8 8 26505 1 . C 9 9 26505 1 . C 10 10 26505 1 . U 11 11 26505 1 . U 12 12 26505 1 . C 13 13 26505 1 . G 14 14 26505 1 . G 15 15 26505 1 . G 16 16 26505 1 . A 17 17 26505 1 . C 18 18 26505 1 . A 19 19 26505 1 . U 20 20 26505 1 . U 21 21 26505 1 . G 22 22 26505 1 . C 23 23 26505 1 . A 24 24 26505 1 . C 25 25 26505 1 . C 26 26 26505 1 . U 27 27 26505 1 . G 28 28 26505 1 . C 29 29 26505 1 . C 30 30 26505 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 26505 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $3'-UTR . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 26505 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 26505 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $3'-UTR . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26505 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26505 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.9% H2O/.1% 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 3'-UTR '[U-13C; U-15N]' . . 1 $3'-UTR . . 0.7 . . mM . . . . 26505 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26505 1 3 EDTA 'natural abundance' . . . . . . .01 . . mM . . . . 26505 1 4 H2O 'natural abundance' . . . . . . 99.9 . . v/v . . . . 26505 1 5 D20 'natural abundance' . . . . . . .1 . . v/v . . . . 26505 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26505 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.9% H2O/.1% 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 3'-UTR '[U-13C; U-15N]' . . 1 $3'-UTR . . 1.0 . . mM . . . . 26505 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26505 2 3 EDTA 'natural abundance' . . . . . . .01 . . mM . . . . 26505 2 4 H2O 'natural abundance' . . . . . . 99.9 . . v/v . . . . 26505 2 5 D20 'natural abundance' . . . . . . .1 . . v/v . . . . 26505 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 26505 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K 26505 1 pH 6.0 . pH 26505 1 pressure 1.0 . atm 26505 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26505 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26505 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26505 1 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 26505 _Software.ID 2 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 26505 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26505 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 26505 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26505 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 26505 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 26505 1 2 spectrometer_2 Bruker DRX . 750 . . . 26505 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 26505 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26505 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26505 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26505 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26505 1 5 '13C-{1H} NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26505 1 6 '13C-{1H} NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26505 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 26505 _Heteronucl_NOE_list.ID 1 _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 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _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 1H-1H NOESY' . . . 26505 1 5 '13C-{1H} NOE' . . . 26505 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 C5 C 13 . 1 1 1 1 G H H 1 1.25 0.02 . . . 19 G C5 . 19 G H 26505 1 2 . 1 1 1 1 G C1 C 13 . 1 1 1 1 G H H 1 1.69 0.19 . . . 19 G C1 . 19 G H 26505 1 3 . 1 1 2 2 G C5 C 13 . 1 1 2 2 G H H 1 1.19 0.03 . . . 20 G C5 . 20 G H 26505 1 4 . 1 1 3 3 C C5 C 13 . 1 1 3 3 C H H 1 1.19 0.04 . . . 21 C C5 . 21 C H 26505 1 5 . 1 1 3 3 C C1 C 13 . 1 1 3 3 C H H 1 1.21 0.01 . . . 21 C C1 . 21 C H 26505 1 6 . 1 1 4 4 A C5 C 13 . 1 1 4 4 A H H 1 1.21 0.02 . . . 22 A C5 . 22 A H 26505 1 7 . 1 1 5 5 G C1 C 13 . 1 1 5 5 G H H 1 1.23 0.02 . . . 23 G C1 . 23 G H 26505 1 8 . 1 1 6 6 A C5 C 13 . 1 1 6 6 A H H 1 1.28 0.02 . . . 24 A C5 . 24 A H 26505 1 9 . 1 1 6 6 A C1 C 13 . 1 1 6 6 A H H 1 1.26 0.03 . . . 24 A C1 . 24 A H 26505 1 10 . 1 1 7 7 G C5 C 13 . 1 1 7 7 G H H 1 1.18 0.02 . . . 25 G C5 . 25 G H 26505 1 11 . 1 1 7 7 G C1 C 13 . 1 1 7 7 G H H 1 1.19 0.02 . . . 25 G C1 . 25 G H 26505 1 12 . 1 1 8 8 U C5 C 13 . 1 1 8 8 U H H 1 1.17 0.05 . . . 26 U C5 . 26 U H 26505 1 13 . 1 1 8 8 U C1 C 13 . 1 1 8 8 U H H 1 1.18 0.01 . . . 26 U C1 . 26 U H 26505 1 14 . 1 1 8 8 U C6 C 13 . 1 1 8 8 U H H 1 1.08 0.03 . . . 26 U C6 . 26 U H 26505 1 15 . 1 1 9 9 C C5 C 13 . 1 1 9 9 C H H 1 1.4 0.05 . . . 27 C C5 . 27 C H 26505 1 16 . 1 1 9 9 C C1 C 13 . 1 1 9 9 C H H 1 1.21 0.01 . . . 27 C C1 . 27 C H 26505 1 17 . 1 1 9 9 C C6 C 13 . 1 1 9 9 C H H 1 1.18 0.03 . . . 27 C C6 . 27 C H 26505 1 18 . 1 1 10 10 C C1 C 13 . 1 1 10 10 C H H 1 1.23 0.01 . . . 28 C C1 . 28 C H 26505 1 19 . 1 1 11 11 U C5 C 13 . 1 1 11 11 U H H 1 1.28 0.03 . . . 29 U C5 . 29 U H 26505 1 20 . 1 1 11 11 U C1 C 13 . 1 1 11 11 U H H 1 1.22 0.01 . . . 29 U C1 . 29 U H 26505 1 21 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H H 1 1.2 0.02 . . . 29 U C6 . 29 U H 26505 1 22 . 1 1 12 12 U C5 C 13 . 1 1 12 12 U H H 1 1.27 0.02 . . . 30 U C5 . 30 U H 26505 1 23 . 1 1 12 12 U C1 C 13 . 1 1 12 12 U H H 1 1.27 0.01 . . . 30 U C1 . 30 U H 26505 1 24 . 1 1 12 12 U C6 C 13 . 1 1 12 12 U H H 1 1.27 0.02 . . . 30 U C6 . 30 U H 26505 1 25 . 1 1 13 13 C C5 C 13 . 1 1 13 13 C H H 1 1.13 0.04 . . . 33 C C5 . 33 C H 26505 1 26 . 1 1 13 13 C C1 C 13 . 1 1 13 13 C H H 1 1.22 0.02 . . . 33 C C1 . 33 C H 26505 1 27 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H H 1 1.15 0.03 . . . 33 C C6 . 33 C H 26505 1 28 . 1 1 14 14 G C5 C 13 . 1 1 14 14 G H H 1 1.22 0.03 . . . 34 G C5 . 34 G H 26505 1 29 . 1 1 14 14 G C1 C 13 . 1 1 14 14 G H H 1 1.21 0.02 . . . 34 G C1 . 34 G H 26505 1 30 . 1 1 15 15 G C5 C 13 . 1 1 15 15 G H H 1 1.26 0.02 . . . 35 G C5 . 35 G H 26505 1 31 . 1 1 15 15 G C1 C 13 . 1 1 15 15 G H H 1 1.19 0.03 . . . 35 G C1 . 35 G H 26505 1 32 . 1 1 17 17 A C5 C 13 . 1 1 17 17 A H H 1 1.15 0.02 . . . 37 A C5 . 37 A H 26505 1 33 . 1 1 17 17 A C1 C 13 . 1 1 17 17 A H H 1 1.2 0.01 . . . 37 A C1 . 37 A H 26505 1 34 . 1 1 18 18 C C5 C 13 . 1 1 18 18 C H H 1 1.15 0.03 . . . 38 C C5 . 38 C H 26505 1 35 . 1 1 18 18 C C1 C 13 . 1 1 18 18 C H H 1 1.17 0.01 . . . 38 C C1 . 38 C H 26505 1 36 . 1 1 18 18 C C6 C 13 . 1 1 18 18 C H H 1 1.16 0.03 . . . 38 C C6 . 38 C H 26505 1 37 . 1 1 19 19 A C5 C 13 . 1 1 19 19 A H H 1 1.2 0.02 . . . 39 A C5 . 39 A H 26505 1 38 . 1 1 20 20 U C5 C 13 . 1 1 20 20 U H H 1 1.26 0.02 . . . 40 U C5 . 40 U H 26505 1 39 . 1 1 20 20 U C1 C 13 . 1 1 20 20 U H H 1 1.36 0.01 . . . 40 U C1 . 40 U H 26505 1 40 . 1 1 20 20 U C6 C 13 . 1 1 20 20 U H H 1 1.24 0.02 . . . 40 U C6 . 40 U H 26505 1 41 . 1 1 21 21 U C5 C 13 . 1 1 21 21 U H H 1 1.43 0.02 . . . 41 U C5 . 41 U H 26505 1 42 . 1 1 21 21 U C1 C 13 . 1 1 21 21 U H H 1 1.44 0.01 . . . 41 U C1 . 41 U H 26505 1 43 . 1 1 21 21 U C6 C 13 . 1 1 21 21 U H H 1 1.36 0.02 . . . 41 U C6 . 41 U H 26505 1 44 . 1 1 22 22 G C5 C 13 . 1 1 22 22 G H H 1 1.28 0.02 . . . 42 G C5 . 42 G H 26505 1 45 . 1 1 22 22 G C1 C 13 . 1 1 22 22 G H H 1 1.38 0.02 . . . 42 G C1 . 42 G H 26505 1 46 . 1 1 23 23 C C5 C 13 . 1 1 23 23 C H H 1 1.22 0.03 . . . 43 C C5 . 43 C H 26505 1 47 . 1 1 23 23 C C1 C 13 . 1 1 23 23 C H H 1 1.45 0.07 . . . 43 C C1 . 43 C H 26505 1 48 . 1 1 24 24 A C5 C 13 . 1 1 24 24 A H H 1 1.31 0.03 . . . 44 A C5 . 44 A H 26505 1 49 . 1 1 24 24 A C1 C 13 . 1 1 24 24 A H H 1 1.34 0.05 . . . 44 A C1 . 44 A H 26505 1 50 . 1 1 25 25 C C5 C 13 . 1 1 25 25 C H H 1 1.24 0.04 . . . 45 C C5 . 45 C H 26505 1 51 . 1 1 26 26 C C5 C 13 . 1 1 26 26 C H H 1 1.1 0.05 . . . 46 C C5 . 46 C H 26505 1 52 . 1 1 27 27 U C5 C 13 . 1 1 27 27 U H H 1 1.08 0.02 . . . 47 U C5 . 47 U H 26505 1 53 . 1 1 27 27 U C1 C 13 . 1 1 27 27 U H H 1 1.27 0.02 . . . 47 U C1 . 47 U H 26505 1 54 . 1 1 28 28 G C5 C 13 . 1 1 28 28 G H H 1 1.25 0.02 . . . 48 G C5 . 48 G H 26505 1 55 . 1 1 29 29 C C5 C 13 . 1 1 29 29 C H H 1 1.13 0.04 . . . 49 C C5 . 49 C H 26505 1 56 . 1 1 29 29 C C1 C 13 . 1 1 29 29 C H H 1 1.22 0.01 . . . 49 C C1 . 49 C H 26505 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 26505 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _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 4 '2D 1H-1H NOESY' . . . 26505 2 6 '13C-{1H} NOE' . . . 26505 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 H H 1 1.16 0.01 . . . 19 G C8 . 19 G H 26505 2 2 . 1 1 1 1 G C1 C 13 . 1 1 1 1 G H H 1 2.26 0.2 . . . 19 G C1 . 19 G H 26505 2 3 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H H 1 1.24 0.01 . . . 20 G C8 . 20 G H 26505 2 4 . 1 1 3 3 C C1 C 13 . 1 1 3 3 C H H 1 1.36 0.02 . . . 21 C C1 . 21 C H 26505 2 5 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H H 1 1.09 0.01 . . . 22 A C8 . 22 A H 26505 2 6 . 1 1 5 5 G C1 C 13 . 1 1 5 5 G H H 1 1.44 0.03 . . . 23 G C1 . 23 G H 26505 2 7 . 1 1 6 6 A C8 C 13 . 1 1 6 6 A H H 1 1.11 0.01 . . . 24 A C8 . 24 A H 26505 2 8 . 1 1 6 6 A C1 C 13 . 1 1 6 6 A H H 1 1.34 0.06 . . . 24 A C1 . 24 A H 26505 2 9 . 1 1 7 7 G C8 C 13 . 1 1 7 7 G H H 1 1.06 0.01 . . . 25 G C8 . 25 G H 26505 2 10 . 1 1 7 7 G C1 C 13 . 1 1 7 7 G H H 1 1.38 0.05 . . . 25 G C1 . 25 G H 26505 2 11 . 1 1 8 8 U C1 C 13 . 1 1 8 8 U H H 1 1.35 0.01 . . . 26 U C1 . 26 U H 26505 2 12 . 1 1 8 8 U C6 C 13 . 1 1 8 8 U H H 1 1.15 0.01 . . . 26 U C6 . 26 U H 26505 2 13 . 1 1 9 9 C C1 C 13 . 1 1 9 9 C H H 1 1.36 0.01 . . . 27 C C1 . 27 C H 26505 2 14 . 1 1 9 9 C C6 C 13 . 1 1 9 9 C H H 1 1.12 0.01 . . . 27 C C6 . 27 C H 26505 2 15 . 1 1 10 10 C C1 C 13 . 1 1 10 10 C H H 1 1.44 0.02 . . . 28 C C1 . 28 C H 26505 2 16 . 1 1 11 11 U C1 C 13 . 1 1 11 11 U H H 1 1.37 0.02 . . . 29 U C1 . 29 U H 26505 2 17 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H H 1 1.12 0.01 . . . 29 U C6 . 29 U H 26505 2 18 . 1 1 12 12 U C1 C 13 . 1 1 12 12 U H H 1 1.4 0.02 . . . 30 U C1 . 30 U H 26505 2 19 . 1 1 12 12 U C6 C 13 . 1 1 12 12 U H H 1 1.21 0.01 . . . 30 U C6 . 30 U H 26505 2 20 . 1 1 13 13 C C1 C 13 . 1 1 13 13 C H H 1 1.37 0.03 . . . 33 C C1 . 33 C H 26505 2 21 . 1 1 14 14 G C8 C 13 . 1 1 14 14 G H H 1 1 0.01 . . . 34 G C8 . 34 G H 26505 2 22 . 1 1 14 14 G C1 C 13 . 1 1 14 14 G H H 1 1.31 0.02 . . . 34 G C1 . 34 G H 26505 2 23 . 1 1 15 15 G C8 C 13 . 1 1 15 15 G H H 1 1.14 0.01 . . . 35 G C8 . 35 G H 26505 2 24 . 1 1 17 17 A C8 C 13 . 1 1 17 17 A H H 1 1.1 0.01 . . . 37 A C8 . 37 A H 26505 2 25 . 1 1 17 17 A C1 C 13 . 1 1 17 17 A H H 1 1.27 0.02 . . . 37 A C1 . 37 A H 26505 2 26 . 1 1 18 18 C C1 C 13 . 1 1 18 18 C H H 1 1.37 0.02 . . . 38 C C1 . 38 C H 26505 2 27 . 1 1 18 18 C C6 C 13 . 1 1 18 18 C H H 1 1.07 0.01 . . . 38 C C6 . 38 C H 26505 2 28 . 1 1 19 19 A C8 C 13 . 1 1 19 19 A H H 1 1.13 0.01 . . . 39 A C8 . 39 A H 26505 2 29 . 1 1 20 20 U C1 C 13 . 1 1 20 20 U H H 1 1.55 0.02 . . . 40 U C1 . 40 U H 26505 2 30 . 1 1 20 20 U C6 C 13 . 1 1 20 20 U H H 1 1.11 0.01 . . . 40 U C6 . 40 U H 26505 2 31 . 1 1 21 21 U C1 C 13 . 1 1 21 21 U H H 1 1.62 0.02 . . . 41 U C1 . 41 U H 26505 2 32 . 1 1 21 21 U C6 C 13 . 1 1 21 21 U H H 1 1.27 0.01 . . . 41 U C6 . 41 U H 26505 2 33 . 1 1 22 22 G C8 C 13 . 1 1 22 22 G H H 1 1.31 0.01 . . . 42 G C8 . 42 G H 26505 2 34 . 1 1 22 22 G C1 C 13 . 1 1 22 22 G H H 1 1.44 0.03 . . . 42 G C1 . 42 G H 26505 2 35 . 1 1 23 23 C C1 C 13 . 1 1 23 23 C H H 1 1.43 0.11 . . . 43 C C1 . 43 C H 26505 2 36 . 1 1 24 24 A C8 C 13 . 1 1 24 24 A H H 1 1.17 0.01 . . . 44 A C8 . 44 A H 26505 2 37 . 1 1 24 24 A C1 C 13 . 1 1 24 24 A H H 1 1.56 0.07 . . . 44 A C1 . 44 A H 26505 2 38 . 1 1 26 26 C C1 C 13 . 1 1 26 26 C H H 1 1.34 0.09 . . . 46 C C1 . 46 C H 26505 2 39 . 1 1 27 27 U C1 C 13 . 1 1 27 27 U H H 1 1.36 0.03 . . . 47 U C1 . 47 U H 26505 2 40 . 1 1 28 28 G C8 C 13 . 1 1 28 28 G H H 1 1.18 0.01 . . . 48 G C8 . 48 G H 26505 2 41 . 1 1 29 29 C C1 C 13 . 1 1 29 29 C H H 1 1.43 0.02 . . . 49 C C1 . 49 C H 26505 2 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 26505 _Heteronucl_T1_list.ID 1 _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 Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _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 1H-13C HSQC' . . . 26505 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 C1' C 13 368.3 25 . . 19 G C1' 26505 1 2 . 1 1 1 1 G C5 C 13 397.5 12.6 . . 19 G C5 26505 1 3 . 1 1 2 2 G C5 C 13 391.1 27.1 . . 20 G C5 26505 1 4 . 1 1 3 3 C C1' C 13 568.7 20.3 . . 21 C C1' 26505 1 5 . 1 1 3 3 C C5 C 13 470.5 59.7 . . 21 C C5 26505 1 6 . 1 1 4 4 A C5 C 13 398.2 11.2 . . 22 A C5 26505 1 7 . 1 1 5 5 G C1' C 13 49.5 11.8 . . 23 G C1' 26505 1 8 . 1 1 6 6 A C1' C 13 444.1 21.8 . . 24 A C1' 26505 1 9 . 1 1 6 6 A C5 C 13 389.8 10.4 . . 24 A C5 26505 1 10 . 1 1 7 7 G C1' C 13 577.2 14 . . 25 G C1' 26505 1 11 . 1 1 7 7 G C5 C 13 410.1 11.6 . . 25 G C5 26505 1 12 . 1 1 8 8 U C1' C 13 549.5 13.2 . . 26 U C1' 26505 1 13 . 1 1 8 8 U C5 C 13 360.9 34.1 . . 26 U C5 26505 1 14 . 1 1 8 8 U C6 C 13 398.5 23.1 . . 26 U C6 26505 1 15 . 1 1 9 9 C C1' C 13 530.7 17.7 . . 27 C C1' 26505 1 16 . 1 1 9 9 C C5 C 13 441.1 18.1 . . 27 C C5 26505 1 17 . 1 1 9 9 C C6 C 13 359.7 10.5 . . 27 C C6 26505 1 18 . 1 1 10 10 C C1' C 13 547.1 20.2 . . 28 C C1' 26505 1 19 . 1 1 11 11 U C1' C 13 495 18.3 . . 29 U C1' 26505 1 20 . 1 1 11 11 U C5 C 13 361.9 17.3 . . 29 U C5 26505 1 21 . 1 1 11 11 U C6 C 13 354 16.2 . . 29 U C6 26505 1 22 . 1 1 12 12 U C1' C 13 516.3 15.2 . . 30 U C1' 26505 1 23 . 1 1 12 12 U C5 C 13 440.4 27.3 . . 30 U C5 26505 1 24 . 1 1 12 12 U C6 C 13 442.9 17.6 . . 30 U C6 26505 1 25 . 1 1 13 13 C C1' C 13 562.6 25 . . 33 C C1' 26505 1 26 . 1 1 13 13 C C5 C 13 434.2 27.5 . . 33 C C5 26505 1 27 . 1 1 13 13 C C6 C 13 387 7.9 . . 33 C C6 26505 1 28 . 1 1 14 14 G C1' C 13 556.6 25.2 . . 34 G C1' 26505 1 29 . 1 1 14 14 G C5 C 13 677.5 29.3 . . 34 G C5 26505 1 30 . 1 1 15 15 G C1' C 13 580.3 60 . . 35 G C1' 26505 1 31 . 1 1 15 15 G C5 C 13 424.3 9.91 . . 35 G C5 26505 1 32 . 1 1 17 17 A C1' C 13 537.2 8.08 . . 37 A C1' 26505 1 33 . 1 1 17 17 A C5 C 13 447.2 19.9 . . 37 A C5 26505 1 34 . 1 1 18 18 C C1' C 13 461.4 27 . . 38 C C1' 26505 1 35 . 1 1 18 18 C C5 C 13 490.8 64.5 . . 38 C C5 26505 1 36 . 1 1 18 18 C C6 C 13 415.7 23.4 . . 38 C C6 26505 1 37 . 1 1 19 19 A C5 C 13 443.5 8.71 . . 39 A C5 26505 1 38 . 1 1 20 20 U C1' C 13 389.8 10.8 . . 40 U C1' 26505 1 39 . 1 1 20 20 U C5 C 13 372.4 15.2 . . 40 U C5 26505 1 40 . 1 1 20 20 U C6 C 13 344.2 7.43 . . 40 U C6 26505 1 41 . 1 1 21 21 U C1' C 13 349.2 8.61 . . 41 U C1' 26505 1 42 . 1 1 21 21 U C5 C 13 309.5 9.89 . . 41 U C5 26505 1 43 . 1 1 21 21 U C6 C 13 277.9 6.97 . . 41 U C6 26505 1 44 . 1 1 22 22 G C1' C 13 389.4 6.57 . . 42 G C1' 26505 1 45 . 1 1 22 22 G C5 C 13 373.2 16.8 . . 42 G C5 26505 1 46 . 1 1 23 23 C C1' C 13 451.4 40.7 . . 43 C C1' 26505 1 47 . 1 1 23 23 C C5 C 13 310.3 16.6 . . 43 C C5 26505 1 48 . 1 1 23 23 C C6 C 13 309.5 16.3 . . 43 C C6 26505 1 49 . 1 1 24 24 A C1' C 13 355 18 . . 44 A C1' 26505 1 50 . 1 1 24 24 A C5 C 13 376.4 22.5 . . 44 A C5 26505 1 51 . 1 1 25 25 C C5 C 13 372.5 26.1 . . 45 C C5 26505 1 52 . 1 1 26 26 C C5 C 13 354 19.8 . . 46 C C5 26505 1 53 . 1 1 27 27 U C1' C 13 498.1 20.6 . . 47 U C1' 26505 1 54 . 1 1 27 27 U C5 C 13 407.1 20 . . 47 U C5 26505 1 55 . 1 1 28 28 G C5 C 13 352.8 12.5 . . 48 G C5 26505 1 56 . 1 1 29 29 C C1' C 13 475.8 14.5 . . 49 C C1' 26505 1 57 . 1 1 29 29 C C5 C 13 283 14.9 . . 49 C C5 26505 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 26505 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _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 2 '2D 1H-13C HSQC' . . . 26505 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 C1' C 13 877.2 212 . . 19 G C1' 26505 2 2 . 1 1 1 1 G C8 C 13 574.2 18.8 . . 19 G C8 26505 2 3 . 1 1 2 2 G C8 C 13 662 37.1 . . 20 G C8 26505 2 4 . 1 1 3 3 C C1' C 13 1122 64.9 . . 21 C C1' 26505 2 5 . 1 1 4 4 A C8 C 13 752.4 19.2 . . 22 A C8 26505 2 6 . 1 1 5 5 G C1' C 13 918.4 40.6 . . 23 G C1' 26505 2 7 . 1 1 6 6 A C1' C 13 757 30.9 . . 24 A C1' 26505 2 8 . 1 1 6 6 A C8 C 13 629.7 26.4 . . 24 A C8 26505 2 9 . 1 1 7 7 G C1' C 13 1234 60 . . 25 G C1' 26505 2 10 . 1 1 7 7 G C8 C 13 686.2 34.3 . . 25 G C8 26505 2 11 . 1 1 8 8 U C1' C 13 1095 76.5 . . 26 U C1' 26505 2 12 . 1 1 8 8 U C6 C 13 535.9 58.4 . . 26 U C6 26505 2 13 . 1 1 9 9 C C1' C 13 1094 69.5 . . 27 C C1' 26505 2 14 . 1 1 9 9 C C6 C 13 566.2 37.2 . . 27 C C6 26505 2 15 . 1 1 10 10 C C1' C 13 1134 56.7 . . 28 C C1' 26505 2 16 . 1 1 11 11 U C1' C 13 940.3 47 . . 29 U C1' 26505 2 17 . 1 1 11 11 U C6 C 13 505.2 45.5 . . 29 U C6 26505 2 18 . 1 1 12 12 U C1' C 13 1052 68.6 . . 30 U C1' 26505 2 19 . 1 1 12 12 U C6 C 13 587 37.3 . . 30 U C6 26505 2 20 . 1 1 13 13 C C1' C 13 1156 59.7 . . 33 C C1' 26505 2 21 . 1 1 13 13 C C6 C 13 507 23.2 . . 33 C C6 26505 2 22 . 1 1 14 14 G C1' C 13 1087 123 . . 34 G C1' 26505 2 23 . 1 1 14 14 G C8 C 13 868 41.7 . . 34 G C8 26505 2 24 . 1 1 15 15 G C8 C 13 708.3 18.5 . . 35 G C8 26505 2 25 . 1 1 17 17 A C1' C 13 1113 66.4 . . 37 A C1' 26505 2 26 . 1 1 17 17 A C8 C 13 760.2 18.4 . . 37 A C8 26505 2 27 . 1 1 18 18 C C1' C 13 1057 70.2 . . 38 C C1' 26505 2 28 . 1 1 18 18 C C6 C 13 531.5 70 . . 38 C C6 26505 2 29 . 1 1 19 19 A C8 C 13 795.5 22.4 . . 39 A C8 26505 2 30 . 1 1 20 20 U C1' C 13 700.1 18 . . 40 U C1' 26505 2 31 . 1 1 20 20 U C6 C 13 422.3 29.2 . . 40 U C6 26505 2 32 . 1 1 21 21 U C1' C 13 618.9 20 . . 41 U C1' 26505 2 33 . 1 1 21 21 U C6 C 13 354 9.7 . . 41 U C6 26505 2 34 . 1 1 22 22 G C1' C 13 702.3 25.6 . . 42 G C1' 26505 2 35 . 1 1 22 22 G C8 C 13 528.1 32.4 . . 42 G C8 26505 2 36 . 1 1 23 23 C C6 C 13 416 37.7 . . 43 C C6 26505 2 37 . 1 1 24 24 A C8 C 13 655.6 19.8 . . 44 A C8 26505 2 38 . 1 1 26 26 C C1' C 13 1134 81.9 . . 46 C C1' 26505 2 39 . 1 1 27 27 U C1' C 13 1029 68.8 . . 47 U C1' 26505 2 40 . 1 1 28 28 G C8 C 13 590.2 24.4 . . 48 G C8 26505 2 41 . 1 1 29 29 C C1' C 13 910.4 41.6 . . 49 C C1' 26505 2 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 26505 _Heteronucl_T1rho_list.ID 1 _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 'no calibration applied' _Heteronucl_T1rho_list.Temp_control_method 'single scan interleaving' _Heteronucl_T1rho_list.T1rho_coherence_type Nz _Heteronucl_T1rho_list.T1rho_val_units ms _Heteronucl_T1rho_list.Rex_units ms _Heteronucl_T1rho_list.Details . _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 1 '2D 1H-13C HSQC' . . . 26505 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 C1' C 13 57.6 4.4 . . . . 19 G C1' 26505 1 2 . 1 1 1 1 G C5 C 13 31.1 0.8 . . . . 19 G C5 26505 1 3 . 1 1 2 2 G C5 C 13 30.3 0.6 . . . . 20 G C5 26505 1 4 . 1 1 3 3 C C1' C 13 36.2 0.7 . . . . 21 C C1' 26505 1 5 . 1 1 3 3 C C5 C 13 28.2 1.6 . . . . 21 C C5 26505 1 6 . 1 1 4 4 A C5 C 13 29.6 0.5 . . . . 22 A C5 26505 1 7 . 1 1 5 5 G C1' C 13 35.7 0.3 . . . . 23 G C1' 26505 1 8 . 1 1 6 6 A C1' C 13 24 0.7 . . . . 24 A C1' 26505 1 9 . 1 1 6 6 A C5 C 13 25.6 0.7 . . . . 24 A C5 26505 1 10 . 1 1 7 7 G C1' C 13 38.5 0.3 . . . . 25 G C1' 26505 1 11 . 1 1 7 7 G C5 C 13 26.8 0.7 . . . . 25 G C5 26505 1 12 . 1 1 8 8 U C1' C 13 36.1 0.6 . . . . 26 U C1' 26505 1 13 . 1 1 8 8 U C5 C 13 26.8 0.8 . . . . 26 U C5 26505 1 14 . 1 1 8 8 U C6 C 13 20.1 1.1 . . . . 26 U C6 26505 1 15 . 1 1 9 9 C C1' C 13 36.1 0.5 . . . . 27 C C1' 26505 1 16 . 1 1 9 9 C C5 C 13 30.1 1.7 . . . . 27 C C5 26505 1 17 . 1 1 9 9 C C6 C 13 21.8 0.7 . . . . 27 C C6 26505 1 18 . 1 1 10 10 C C1' C 13 34.6 0.6 . . . . 28 C C1' 26505 1 19 . 1 1 11 11 U C1' C 13 36.1 0.9 . . . . 29 U C1' 26505 1 20 . 1 1 11 11 U C5 C 13 26.9 1.1 . . . . 29 U C5 26505 1 21 . 1 1 11 11 U C6 C 13 19.2 0.7 . . . . 29 U C6 26505 1 22 . 1 1 12 12 U C1' C 13 40.5 1.8 . . . . 30 U C1' 26505 1 23 . 1 1 12 12 U C5 C 13 39.7 1.2 . . . . 30 U C5 26505 1 24 . 1 1 12 12 U C6 C 13 28.8 0.9 . . . . 30 U C6 26505 1 25 . 1 1 13 13 C C1' C 13 31 0.9 . . . . 33 C C1' 26505 1 26 . 1 1 13 13 C C5 C 13 31.4 3.1 . . . . 33 C C5 26505 1 27 . 1 1 13 13 C C6 C 13 24.7 1.2 . . . . 33 C C6 26505 1 28 . 1 1 14 14 G C1' C 13 36.1 0.8 . . . . 34 G C1' 26505 1 29 . 1 1 14 14 G C5 C 13 26.8 0.7 . . . . 34 G C5 26505 1 30 . 1 1 15 15 G C1' C 13 34.7 1.4 . . . . 35 G C1' 26505 1 31 . 1 1 15 15 G C5 C 13 33 0.5 . . . . 35 G C5 26505 1 32 . 1 1 17 17 A C1' C 13 39.1 0.8 . . . . 37 A C1' 26505 1 33 . 1 1 17 17 A C5 C 13 31.9 0.9 . . . . 37 A C5 26505 1 34 . 1 1 18 18 C C1' C 13 37.7 1.1 . . . . 38 C C1' 26505 1 35 . 1 1 18 18 C C5 C 13 60.6 1.9 . . . . 38 C C5 26505 1 36 . 1 1 18 18 C C6 C 13 20.6 1.3 . . . . 38 C C6 26505 1 37 . 1 1 19 19 A C5 C 13 29.4 0.4 . . . . 39 A C5 26505 1 38 . 1 1 20 20 U C1' C 13 48.8 0.3 . . . . 40 U C1' 26505 1 39 . 1 1 20 20 U C5 C 13 39.6 2.7 . . . . 40 U C5 26505 1 40 . 1 1 20 20 U C6 C 13 30.1 1 . . . . 40 U C6 26505 1 41 . 1 1 21 21 U C1' C 13 56.3 0.8 . . . . 41 U C1' 26505 1 42 . 1 1 21 21 U C5 C 13 54.3 2.6 . . . . 41 U C5 26505 1 43 . 1 1 21 21 U C6 C 13 46.4 1.6 . . . . 41 U C6 26505 1 44 . 1 1 22 22 G C1' C 13 37 0.3 . . . . 42 G C1' 26505 1 45 . 1 1 22 22 G C5 C 13 27 0.9 . . . . 42 G C5 26505 1 46 . 1 1 23 23 C C1' C 13 20.5 2.3 . . . . 43 C C1' 26505 1 47 . 1 1 23 23 C C5 C 13 44.6 5.9 . . . . 43 C C5 26505 1 48 . 1 1 23 23 C C6 C 13 25.3 1.3 . . . . 43 C C6 26505 1 49 . 1 1 24 24 A C1' C 13 33.9 2 . . . . 44 A C1' 26505 1 50 . 1 1 24 24 A C5 C 13 26.5 0.6 . . . . 44 A C5 26505 1 51 . 1 1 25 25 C C5 C 13 28.4 2.5 . . . . 45 C C5 26505 1 52 . 1 1 26 26 C C5 C 13 28.5 1.5 . . . . 46 C C5 26505 1 53 . 1 1 27 27 U C1' C 13 30.9 0.4 . . . . 47 U C1' 26505 1 54 . 1 1 27 27 U C5 C 13 32.8 1.8 . . . . 47 U C5 26505 1 55 . 1 1 28 28 G C5 C 13 31.2 0.7 . . . . 48 G C5 26505 1 56 . 1 1 29 29 C C1' C 13 36.3 0.6 . . . . 49 C C1' 26505 1 57 . 1 1 29 29 C C5 C 13 27.7 2.4 . . . . 49 C C5 26505 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 26505 _Heteronucl_T1rho_list.ID 2 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 750 _Heteronucl_T1rho_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T1rho_list.Temp_control_method 'single scan interleaving' _Heteronucl_T1rho_list.T1rho_coherence_type Nz _Heteronucl_T1rho_list.T1rho_val_units ms _Heteronucl_T1rho_list.Rex_units ms _Heteronucl_T1rho_list.Details . _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 1H-13C HSQC' . . . 26505 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 C1' C 13 50.8 7.9 . . . . 19 G C1' 26505 2 2 . 1 1 1 1 G C8 C 13 19.5 0.8 . . . . 19 G C8 26505 2 3 . 1 1 2 2 G C8 C 13 16 1 . . . . 20 G C8 26505 2 4 . 1 1 3 3 C C1' C 13 32 2 . . . . 21 C C1' 26505 2 5 . 1 1 4 4 A C8 C 13 19.4 1 . . . . 22 A C8 26505 2 6 . 1 1 5 5 G C1' C 13 27.1 3 . . . . 23 G C1' 26505 2 7 . 1 1 6 6 A C1' C 13 15.45 1.7 . . . . 24 A C1' 26505 2 8 . 1 1 6 6 A C8 C 13 12.5 0.2 . . . . 24 A C8 26505 2 9 . 1 1 7 7 G C1' C 13 28.6 2.1 . . . . 25 G C1' 26505 2 10 . 1 1 7 7 G C8 C 13 19.5 0.4 . . . . 25 G C8 26505 2 11 . 1 1 8 8 U C1' C 13 31.5 0.1 . . . . 26 U C1' 26505 2 12 . 1 1 8 8 U C6 C 13 13.2 58.4 . . . . 26 U C6 26505 2 13 . 1 1 9 9 C C1' C 13 32 1.2 . . . . 27 C C1' 26505 2 14 . 1 1 9 9 C C6 C 13 15.2 37.2 . . . . 27 C C6 26505 2 15 . 1 1 10 10 C C1' C 13 32.3 0.6 . . . . 28 C C1' 26505 2 16 . 1 1 11 11 U C1' C 13 39.5 0.8 . . . . 29 U C1' 26505 2 17 . 1 1 11 11 U C6 C 13 18.7 45.5 . . . . 29 U C6 26505 2 18 . 1 1 12 12 U C1' C 13 33.9 0.9 . . . . 30 U C1' 26505 2 19 . 1 1 12 12 U C6 C 13 23.7 37.3 . . . . 30 U C6 26505 2 20 . 1 1 13 13 C C1' C 13 34 1.7 . . . . 33 C C1' 26505 2 21 . 1 1 13 13 C C6 C 13 20.5 23.2 . . . . 33 C C6 26505 2 22 . 1 1 14 14 G C1' C 13 36.67 3.9 . . . . 34 G C1' 26505 2 23 . 1 1 14 14 G C8 C 13 22.2 1.4 . . . . 34 G C8 26505 2 24 . 1 1 15 15 G C8 C 13 22 0.9 . . . . 35 G C8 26505 2 25 . 1 1 17 17 A C1' C 13 36.4 0.8 . . . . 37 A C1' 26505 2 26 . 1 1 17 17 A C8 C 13 19.5 0.6 . . . . 37 A C8 26505 2 27 . 1 1 18 18 C C1' C 13 35.7 1.2 . . . . 38 C C1' 26505 2 28 . 1 1 18 18 C C6 C 13 15.6 70 . . . . 38 C C6 26505 2 29 . 1 1 19 19 A C8 C 13 20.3 0.7 . . . . 39 A C8 26505 2 30 . 1 1 20 20 U C1' C 13 45.3 1.1 . . . . 40 U C1' 26505 2 31 . 1 1 20 20 U C6 C 13 22.9 29.2 . . . . 40 U C6 26505 2 32 . 1 1 21 21 U C1' C 13 50.5 0.8 . . . . 41 U C1' 26505 2 33 . 1 1 21 21 U C6 C 13 38.2 9.7 . . . . 41 U C6 26505 2 34 . 1 1 22 22 G C1' C 13 27.4 0.3 . . . . 42 G C1' 26505 2 35 . 1 1 22 22 G C8 C 13 24.9 1.1 . . . . 42 G C8 26505 2 36 . 1 1 23 23 C C6 C 13 15.1 37.7 . . . . 43 C C6 26505 2 37 . 1 1 24 24 A C8 C 13 13.1 0.6 . . . . 44 A C8 26505 2 38 . 1 1 26 26 C C1' C 13 32.3 1 . . . . 46 C C1' 26505 2 39 . 1 1 27 27 U C1' C 13 32.6 3.4 . . . . 47 U C1' 26505 2 40 . 1 1 28 28 G C8 C 13 15.6 0.99 . . . . 48 G C8 26505 2 41 . 1 1 29 29 C C1' C 13 33.9 1.6 . . . . 49 C C1' 26505 2 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 26505 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength 500 _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 1 1 G C1' C 13 0.58 0.05 . . . . . . 0.00 0.00 . . . . . . . . . . . . 19 G C1' 26505 1 2 . 1 1 1 1 G C5 C 13 0.88 0.02 . . . . . . 3.80 0.97 . . . . . . . . . . . . 19 G C5 26505 1 3 . 1 1 2 2 G C5 C 13 0.66 0.05 . . . . . . 4.26 1.12 . . . . . . . . . . . . 20 G C5 26505 1 4 . 1 1 3 3 C C1' C 13 0.99 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 21 C C1' 26505 1 5 . 1 1 4 4 A C5 C 13 0.89 0.02 . . . . . . 4.95 0.76 . . . . . . . . . . . . 22 A C5 26505 1 6 . 1 1 6 6 A C1' C 13 0.88 0.03 . . . . . . 16.90 1.42 . . . . . . . . . . . . 24 A C1' 26505 1 7 . 1 1 6 6 A C5 C 13 0.86 0.02 . . . . . . 11.24 1.19 . . . . . . . . . . . . 24 A C5 26505 1 8 . 1 1 7 7 G C1' C 13 0.90 0.02 . . . . . . 1.27 0.68 . . . . . . . . . . . . 25 G C1' 26505 1 9 . 1 1 8 8 U C1' C 13 1.00 0.01 . . . . . . 0.00 0.00 . . . . . . . . . . . . 26 U C1' 26505 1 10 . 1 1 9 9 C C1' C 13 0.97 0.03 . . . . . . 1.16 0.86 . . . . . . . . . . . . 27 C C1' 26505 1 11 . 1 1 9 9 C C5 C 13 0.93 0.03 . . . . . . 2.12 1.13 . . . . . . . . . . . . 27 C C5 26505 1 12 . 1 1 9 9 C C6 C 13 0.88 0.02 . . . . . . 14.49 1.51 . . . . . . . . . . . . 27 C C6 26505 1 13 . 1 1 10 10 C C1' C 13 0.96 0.01 . . . . . . 0.00 0.00 . . . . . . . . . . . . 28 C C1' 26505 1 14 . 1 1 11 11 U C1' C 13 0.95 0.02 . . . . . . 1.46 0.83 . . . . . . . . . . . . 29 U C1' 26505 1 15 . 1 1 11 11 U C5 C 13 0.81 0.04 . . . . . . 9.50 1.02 . . . . . . . . . . . . 29 U C5 26505 1 16 . 1 1 11 11 U C6 C 13 0.86 0.03 . . . . . . 21.14 2.03 . . . . . . . . . . . . 29 U C6 26505 1 17 . 1 1 12 12 U C1' C 13 0.89 0.03 . . . . . . 0.00 0.00 . . . . . . . . . . . . 30 U C1' 26505 1 18 . 1 1 12 12 U C5 C 13 0.78 0.03 . . . . . . 0.00 0.00 . . . . . . . . . . . . 30 U C5 26505 1 19 . 1 1 12 12 U C6 C 13 0.89 0.03 . . . . . . 3.94 1.61 . . . . . . . . . . . . 30 U C6 26505 1 20 . 1 1 13 13 C C1' C 13 0.91 0.04 . . . . . . 7.32 1.47 . . . . . . . . . . . . 33 C C1' 26505 1 21 . 1 1 13 13 C C5 C 13 1.00 0.06 . . . . . . 0.00 0.00 . . . . . . . . . . . . 33 C C5 26505 1 22 . 1 1 14 14 G C1' C 13 0.93 0.04 . . . . . . 2.22 1.32 . . . . . . . . . . . . 34 G C1' 26505 1 23 . 1 1 14 14 G C5 C 13 0.66 0.03 . . . . . . 16.60 1.41 . . . . . . . . . . . . 34 G C5 26505 1 24 . 1 1 15 15 G C1' C 13 0.90 0.09 . . . . . . 4.15 2.84 . . . . . . . . . . . . 35 G C1' 26505 1 25 . 1 1 15 15 G C5 C 13 0.92 0.01 . . . . . . 0.00 0.00 . . . . . . . . . . . . 35 G C5 26505 1 26 . 1 1 17 17 A C1' C 13 0.95 0.01 . . . . . . 0.00 0.00 . . . . . . . . . . . . 37 A C1' 26505 1 27 . 1 1 17 17 A C5 C 13 1.00 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 37 A C5 26505 1 28 . 1 1 18 18 C C1' C 13 0.93 0.04 . . . . . . 0.00 0.00 . . . . . . . . . . . . 38 C C1' 26505 1 29 . 1 1 18 18 C C5 C 13 0.99 0.03 . . . . . . 0.00 0.00 . . . . . . . . . . . . 38 C C5 26505 1 30 . 1 1 18 18 C C6 C 13 0.97 0.03 . . . . . . 14.85 3.16 . . . . . . . . . . . . 38 C C6 26505 1 31 . 1 1 19 19 A C5 C 13 0.96 0.01 . . . . . . 3.72 0.56 . . . . . . . . . . . . 39 A C5 26505 1 32 . 1 1 20 20 U C1' C 13 0.69 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 40 U C1' 26505 1 33 . 1 1 20 20 U C5 C 13 0.83 0.03 . . . . . . 0.87 0.76 . . . . . . . . . . . . 40 U C5 26505 1 34 . 1 1 20 20 U C6 C 13 0.94 0.01 . . . . . . 0.71 1.17 . . . . . . . . . . . . 40 U C6 26505 1 35 . 1 1 21 21 U C1' C 13 0.57 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 41 U C1' 26505 1 36 . 1 1 21 21 U C5 C 13 0.54 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 41 U C5 26505 1 37 . 1 1 21 21 U C6 C 13 0.54 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 41 U C6 26505 1 38 . 1 1 22 22 G C1' C 13 0.76 0.01 . . . . . . 4.78 0.35 . . . . . . . . . . . . 42 G C1' 26505 1 39 . 1 1 22 22 G C5 C 13 0.83 0.03 . . . . . . 11.33 1.53 . . . . . . . . . . . . 42 G C5 26505 1 40 . 1 1 23 23 C C1' C 13 0.84 0.05 . . . . . . 25.06 5.25 . . . . . . . . . . . . 43 C C1' 26505 1 41 . 1 1 23 23 C C5 C 13 0.62 0.09 . . . . . . 0.00 0.00 . . . . . . . . . . . . 43 C C5 26505 1 42 . 1 1 23 23 C C6 C 13 0.74 0.04 . . . . . . 12.09 2.31 . . . . . . . . . . . . 43 C C6 26505 1 43 . 1 1 24 24 A C1' C 13 0.70 0.04 . . . . . . 8.40 1.97 . . . . . . . . . . . . 44 A C1' 26505 1 44 . 1 1 24 24 A C5 C 13 0.82 0.04 . . . . . . 11.39 1.33 . . . . . . . . . . . . 44 A C5 26505 1 45 . 1 1 25 25 C C5 C 13 0.84 0.05 . . . . . . 7.73 1.92 . . . . . . . . . . . . 45 C C5 26505 1 46 . 1 1 27 27 U C1' C 13 0.94 0.02 . . . . . . 6.36 0.57 . . . . . . . . . . . . 47 U C1' 26505 1 47 . 1 1 27 27 U C5 C 13 1.00 0.08 . . . . . . 0.00 0.00 . . . . . . . . . . . . 47 U C5 26505 1 48 . 1 1 28 28 G C5 C 13 0.80 0.03 . . . . . . 5.46 0.93 . . . . . . . . . . . . 48 G C5 26505 1 49 . 1 1 29 29 C C1' C 13 0.93 0.02 . . . . . . 1.70 0.58 . . . . . . . . . . . . 49 C C1' 26505 1 stop_ save_ save_order_parameter_list_2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_2 _Order_parameter_list.Entry_ID 26505 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength 750 _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 1 1 G C1' C 13 0.56 0.08 . . . . . . 0.00 0.00 . . . . . . . . . . . . 19 G C1' 26505 2 2 . 1 1 3 3 C C1' C 13 0.94 0.01 . . . . . . 2.08 1.93 . . . . . . . . . . . . 21 C C1' 26505 2 3 . 1 1 5 5 G C1' C 13 0.86 0.02 . . . . . . 9.90 4.20 . . . . . . . . . . . . 23 G C1' 26505 2 4 . 1 1 6 6 A C1' C 13 0.79 0.02 . . . . . . 39.56 7.33 . . . . . . . . . . . . 24 A C1' 26505 2 5 . 1 1 7 7 G C1' C 13 0.90 0.04 . . . . . . 6.75 2.89 . . . . . . . . . . . . 25 G C1' 26505 2 6 . 1 1 9 9 C C1' C 13 0.93 0.02 . . . . . . 2.26 1.31 . . . . . . . . . . . . 27 C C1' 26505 2 7 . 1 1 12 12 U C1' C 13 0.91 0.02 . . . . . . 1.04 0.96 . . . . . . . . . . . . 30 U C1' 26505 2 8 . 1 1 13 13 C C1' C 13 0.94 0.01 . . . . . . 0.00 0.00 . . . . . . . . . . . . 33 C C1' 26505 2 9 . 1 1 14 14 G C1' C 13 0.93 0.03 . . . . . . 0.00 0.00 . . . . . . . . . . . . 34 G C1' 26505 2 10 . 1 1 17 17 A C1' C 13 0.88 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 37 A C1' 26505 2 11 . 1 1 18 18 C C1' C 13 0.91 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 38 C C1' 26505 2 12 . 1 1 20 20 U C1' C 13 0.68 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 40 U C1' 26505 2 13 . 1 1 21 21 U C1' C 13 0.60 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 41 U C1' 26505 2 14 . 1 1 22 22 G C1' C 13 0.74 0.02 . . . . . . 12.60 0.65 . . . . . . . . . . . . 42 G C1' 26505 2 15 . 1 1 27 27 U C1' C 13 0.91 0.02 . . . . . . 0.00 0.00 . . . . . . . . . . . . 47 U C1' 26505 2 16 . 1 1 29 29 C C1' C 13 0.86 0.02 . . . . . . 2.46 1.50 . . . . . . . . . . . . 49 C C1' 26505 2 stop_ save_