data_51174 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51174 _Entry.Title ; Molecular Dynamics-Assisted Optimization of Protein NMR Relaxation Analysis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-10 _Entry.Accession_date 2021-11-10 _Entry.Last_release_date 2021-11-11 _Entry.Original_release_date 2021-11-11 _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 . _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 Janet Anderson . S. . . 51174 2 Griselda Hernandez . . . 0000-0002-7557-8806 51174 3 David LeMaster . M. . 0000-0003-2810-9465 51174 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wadsworth Center / New York State Department of Health' . 51174 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 51174 heteronucl_T1_relaxation 2 51174 heteronucl_T2_relaxation 2 51174 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 140 51174 'T2 relaxation values' 140 51174 'heteronuclear NOE values' 140 51174 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 2 . . 2022-05-20 2021-03-01 update BMRB 'update entry citation' 51174 1 . . 2022-03-04 2021-03-01 original author 'original release' 51174 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51174 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35245056 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular Dynamics-Assisted Optimization of Protein NMR Relaxation Analysis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Chem. Theory Comput.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _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 2091 _Citation.Page_last 2104 _Citation.Year 2022 _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 Janet Anderson . S. . . 51174 1 2 Griselda Hernandez . . . . 51174 1 3 David LeMaster . M. . . 51174 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR relaxation' 51174 1 'autocorrelation function' 51174 1 'molecular simulation' 51174 1 'protein dynamics' 51174 1 ubiquitin 51174 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51174 _Assembly.ID 1 _Assembly.Name ubiquitin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8565 _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 ubiquitin 1 $entity_1 . . yes native yes yes . . . 51174 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51174 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51174 1 2 . GLN . 51174 1 3 . ILE . 51174 1 4 . PHE . 51174 1 5 . VAL . 51174 1 6 . LYS . 51174 1 7 . THR . 51174 1 8 . LEU . 51174 1 9 . THR . 51174 1 10 . GLY . 51174 1 11 . LYS . 51174 1 12 . THR . 51174 1 13 . ILE . 51174 1 14 . THR . 51174 1 15 . LEU . 51174 1 16 . GLU . 51174 1 17 . VAL . 51174 1 18 . GLU . 51174 1 19 . PRO . 51174 1 20 . SER . 51174 1 21 . ASP . 51174 1 22 . THR . 51174 1 23 . ILE . 51174 1 24 . GLU . 51174 1 25 . ASN . 51174 1 26 . VAL . 51174 1 27 . LYS . 51174 1 28 . ALA . 51174 1 29 . LYS . 51174 1 30 . ILE . 51174 1 31 . GLN . 51174 1 32 . ASP . 51174 1 33 . LYS . 51174 1 34 . GLU . 51174 1 35 . GLY . 51174 1 36 . ILE . 51174 1 37 . PRO . 51174 1 38 . PRO . 51174 1 39 . ASP . 51174 1 40 . GLN . 51174 1 41 . GLN . 51174 1 42 . ARG . 51174 1 43 . LEU . 51174 1 44 . ILE . 51174 1 45 . PHE . 51174 1 46 . ALA . 51174 1 47 . GLY . 51174 1 48 . LYS . 51174 1 49 . GLN . 51174 1 50 . LEU . 51174 1 51 . GLU . 51174 1 52 . ASP . 51174 1 53 . GLY . 51174 1 54 . ARG . 51174 1 55 . THR . 51174 1 56 . LEU . 51174 1 57 . SER . 51174 1 58 . ASP . 51174 1 59 . TYR . 51174 1 60 . ASN . 51174 1 61 . ILE . 51174 1 62 . GLN . 51174 1 63 . LYS . 51174 1 64 . GLU . 51174 1 65 . SER . 51174 1 66 . THR . 51174 1 67 . LEU . 51174 1 68 . HIS . 51174 1 69 . LEU . 51174 1 70 . VAL . 51174 1 71 . LEU . 51174 1 72 . ARG . 51174 1 73 . LEU . 51174 1 74 . ARG . 51174 1 75 . GLY . 51174 1 76 . GLY . 51174 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 . MET 1 1 51174 1 . GLN 2 2 51174 1 . ILE 3 3 51174 1 . PHE 4 4 51174 1 . VAL 5 5 51174 1 . LYS 6 6 51174 1 . THR 7 7 51174 1 . LEU 8 8 51174 1 . THR 9 9 51174 1 . GLY 10 10 51174 1 . LYS 11 11 51174 1 . THR 12 12 51174 1 . ILE 13 13 51174 1 . THR 14 14 51174 1 . LEU 15 15 51174 1 . GLU 16 16 51174 1 . VAL 17 17 51174 1 . GLU 18 18 51174 1 . PRO 19 19 51174 1 . SER 20 20 51174 1 . ASP 21 21 51174 1 . THR 22 22 51174 1 . ILE 23 23 51174 1 . GLU 24 24 51174 1 . ASN 25 25 51174 1 . VAL 26 26 51174 1 . LYS 27 27 51174 1 . ALA 28 28 51174 1 . LYS 29 29 51174 1 . ILE 30 30 51174 1 . GLN 31 31 51174 1 . ASP 32 32 51174 1 . LYS 33 33 51174 1 . GLU 34 34 51174 1 . GLY 35 35 51174 1 . ILE 36 36 51174 1 . PRO 37 37 51174 1 . PRO 38 38 51174 1 . ASP 39 39 51174 1 . GLN 40 40 51174 1 . GLN 41 41 51174 1 . ARG 42 42 51174 1 . LEU 43 43 51174 1 . ILE 44 44 51174 1 . PHE 45 45 51174 1 . ALA 46 46 51174 1 . GLY 47 47 51174 1 . LYS 48 48 51174 1 . GLN 49 49 51174 1 . LEU 50 50 51174 1 . GLU 51 51 51174 1 . ASP 52 52 51174 1 . GLY 53 53 51174 1 . ARG 54 54 51174 1 . THR 55 55 51174 1 . LEU 56 56 51174 1 . SER 57 57 51174 1 . ASP 58 58 51174 1 . TYR 59 59 51174 1 . ASN 60 60 51174 1 . ILE 61 61 51174 1 . GLN 62 62 51174 1 . LYS 63 63 51174 1 . GLU 64 64 51174 1 . SER 65 65 51174 1 . THR 66 66 51174 1 . LEU 67 67 51174 1 . HIS 68 68 51174 1 . LEU 69 69 51174 1 . VAL 70 70 51174 1 . LEU 71 71 51174 1 . ARG 72 72 51174 1 . LEU 73 73 51174 1 . ARG 74 74 51174 1 . GLY 75 75 51174 1 . GLY 76 76 51174 1 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 51174 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51174 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 51174 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pet11a . . . 51174 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51174 _Sample.ID 1 _Sample.Name ubiquitin _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 ubiquitin '[U-15N; U-2H]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51174 1 2 'sodium acetate' '[U-99% 2H]' . . . . . . 25 . . mM . . . . 51174 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51174 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_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 'ionic strength' 16 . mM 51174 1 pH 5.00 . pH 51174 1 pressure 1 . atm 51174 1 temperature 298 . K 51174 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51174 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51174 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 51174 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51174 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51174 _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 'T1/R1 relaxation' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51174 1 2 'T2/R2 relaxation' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51174 1 3 '1H-15N heteronoe' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51174 1 4 'T1/R1 relaxation' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51174 1 5 'T2/R2 relaxation' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51174 1 6 '1H-15N heteronoe' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51174 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51174 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name Ub_600_NOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _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 '1H-15N heteronoe' . . . 51174 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 51174 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 2 2 GLN N N 15 . 1 1 2 2 GLN H H 1 0.735 0.005 . . . . . . . . . . 51174 1 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.766 0.005 . . . . . . . . . . 51174 1 3 . 1 1 4 4 PHE N N 15 . 1 1 4 4 PHE H H 1 0.776 0.005 . . . . . . . . . . 51174 1 4 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 0.761 0.005 . . . . . . . . . . 51174 1 5 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.765 0.008 . . . . . . . . . . 51174 1 6 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.728 0.005 . . . . . . . . . . 51174 1 7 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.646 0.006 . . . . . . . . . . 51174 1 8 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 0.602 0.008 . . . . . . . . . . 51174 1 9 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.626 0.006 . . . . . . . . . . 51174 1 10 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.595 0.005 . . . . . . . . . . 51174 1 11 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.677 0.005 . . . . . . . . . . 51174 1 12 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.736 0.007 . . . . . . . . . . 51174 1 13 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 0.755 0.010 . . . . . . . . . . 51174 1 14 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.766 0.007 . . . . . . . . . . 51174 1 15 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.732 0.005 . . . . . . . . . . 51174 1 16 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.752 0.005 . . . . . . . . . . 51174 1 17 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.756 0.008 . . . . . . . . . . 51174 1 18 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.742 0.005 . . . . . . . . . . 51174 1 19 . 1 1 21 21 ASP N N 15 . 1 1 21 21 ASP H H 1 0.781 0.006 . . . . . . . . . . 51174 1 20 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.749 0.008 . . . . . . . . . . 51174 1 21 . 1 1 23 23 ILE N N 15 . 1 1 23 23 ILE H H 1 0.771 0.005 . . . . . . . . . . 51174 1 22 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.774 0.007 . . . . . . . . . . 51174 1 23 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.779 0.007 . . . . . . . . . . 51174 1 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.769 0.005 . . . . . . . . . . 51174 1 25 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.778 0.005 . . . . . . . . . . 51174 1 26 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.769 0.013 . . . . . . . . . . 51174 1 27 . 1 1 30 30 ILE N N 15 . 1 1 30 30 ILE H H 1 0.758 0.005 . . . . . . . . . . 51174 1 28 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.758 0.005 . . . . . . . . . . 51174 1 29 . 1 1 32 32 ASP N N 15 . 1 1 32 32 ASP H H 1 0.769 0.007 . . . . . . . . . . 51174 1 30 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.755 0.006 . . . . . . . . . . 51174 1 31 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.737 0.005 . . . . . . . . . . 51174 1 32 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.775 0.007 . . . . . . . . . . 51174 1 33 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.780 0.007 . . . . . . . . . . 51174 1 34 . 1 1 39 39 ASP N N 15 . 1 1 39 39 ASP H H 1 0.754 0.005 . . . . . . . . . . 51174 1 35 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.744 0.005 . . . . . . . . . . 51174 1 36 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.739 0.006 . . . . . . . . . . 51174 1 37 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.755 0.007 . . . . . . . . . . 51174 1 38 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.751 0.005 . . . . . . . . . . 51174 1 39 . 1 1 44 44 ILE N N 15 . 1 1 44 44 ILE H H 1 0.761 0.005 . . . . . . . . . . 51174 1 40 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.764 0.005 . . . . . . . . . . 51174 1 41 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.726 0.005 . . . . . . . . . . 51174 1 42 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.730 0.006 . . . . . . . . . . 51174 1 43 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.756 0.008 . . . . . . . . . . 51174 1 44 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.688 0.006 . . . . . . . . . . 51174 1 45 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.744 0.006 . . . . . . . . . . 51174 1 46 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.735 0.005 . . . . . . . . . . 51174 1 47 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.739 0.005 . . . . . . . . . . 51174 1 48 . 1 1 54 54 ARG N N 15 . 1 1 54 54 ARG H H 1 0.766 0.005 . . . . . . . . . . 51174 1 49 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.746 0.006 . . . . . . . . . . 51174 1 50 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.774 0.005 . . . . . . . . . . 51174 1 51 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.757 0.005 . . . . . . . . . . 51174 1 52 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.771 0.009 . . . . . . . . . . 51174 1 53 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.754 0.005 . . . . . . . . . . 51174 1 54 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 0.753 0.005 . . . . . . . . . . 51174 1 55 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.751 0.006 . . . . . . . . . . 51174 1 56 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN H H 1 0.613 0.005 . . . . . . . . . . 51174 1 57 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.739 0.005 . . . . . . . . . . 51174 1 58 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.756 0.005 . . . . . . . . . . 51174 1 59 . 1 1 65 65 SER N N 15 . 1 1 65 65 SER H H 1 0.772 0.005 . . . . . . . . . . 51174 1 60 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.759 0.007 . . . . . . . . . . 51174 1 61 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.762 0.005 . . . . . . . . . . 51174 1 62 . 1 1 68 68 HIS N N 15 . 1 1 68 68 HIS H H 1 0.767 0.005 . . . . . . . . . . 51174 1 63 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.767 0.006 . . . . . . . . . . 51174 1 64 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.766 0.005 . . . . . . . . . . 51174 1 65 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.710 0.005 . . . . . . . . . . 51174 1 66 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.653 0.005 . . . . . . . . . . 51174 1 67 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.359 0.005 . . . . . . . . . . 51174 1 68 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.071 0.005 . . . . . . . . . . 51174 1 69 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 -0.428 0.005 . . . . . . . . . . 51174 1 70 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 -1.058 0.005 . . . . . . . . . . 51174 1 stop_ save_ save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51174 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name Ub_900_NOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 900 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _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 6 '1H-15N heteronoe' . . . 51174 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 51174 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 2 2 GLN N N 15 . 1 1 2 2 GLN H H 1 0.832 0.006 . . . . . . . . . . 51174 2 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.882 0.007 . . . . . . . . . . 51174 2 3 . 1 1 4 4 PHE N N 15 . 1 1 4 4 PHE H H 1 0.886 0.006 . . . . . . . . . . 51174 2 4 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 0.859 0.006 . . . . . . . . . . 51174 2 5 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.890 0.006 . . . . . . . . . . 51174 2 6 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.831 0.007 . . . . . . . . . . 51174 2 7 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.774 0.007 . . . . . . . . . . 51174 2 8 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 0.717 0.006 . . . . . . . . . . 51174 2 9 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.732 0.006 . . . . . . . . . . 51174 2 10 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.710 0.006 . . . . . . . . . . 51174 2 11 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.779 0.006 . . . . . . . . . . 51174 2 12 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.855 0.013 . . . . . . . . . . 51174 2 13 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 0.836 0.006 . . . . . . . . . . 51174 2 14 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.885 0.006 . . . . . . . . . . 51174 2 15 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.811 0.006 . . . . . . . . . . 51174 2 16 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.835 0.009 . . . . . . . . . . 51174 2 17 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.843 0.006 . . . . . . . . . . 51174 2 18 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.833 0.007 . . . . . . . . . . 51174 2 19 . 1 1 21 21 ASP N N 15 . 1 1 21 21 ASP H H 1 0.860 0.006 . . . . . . . . . . 51174 2 20 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.838 0.006 . . . . . . . . . . 51174 2 21 . 1 1 23 23 ILE N N 15 . 1 1 23 23 ILE H H 1 0.874 0.008 . . . . . . . . . . 51174 2 22 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.860 0.011 . . . . . . . . . . 51174 2 23 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.875 0.006 . . . . . . . . . . 51174 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.879 0.006 . . . . . . . . . . 51174 2 25 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.879 0.006 . . . . . . . . . . 51174 2 26 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.874 0.008 . . . . . . . . . . 51174 2 27 . 1 1 30 30 ILE N N 15 . 1 1 30 30 ILE H H 1 0.882 0.006 . . . . . . . . . . 51174 2 28 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.869 0.006 . . . . . . . . . . 51174 2 29 . 1 1 32 32 ASP N N 15 . 1 1 32 32 ASP H H 1 0.874 0.006 . . . . . . . . . . 51174 2 30 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.863 0.006 . . . . . . . . . . 51174 2 31 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.849 0.006 . . . . . . . . . . 51174 2 32 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.865 0.010 . . . . . . . . . . 51174 2 33 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.885 0.006 . . . . . . . . . . 51174 2 34 . 1 1 39 39 ASP N N 15 . 1 1 39 39 ASP H H 1 0.855 0.006 . . . . . . . . . . 51174 2 35 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.843 0.006 . . . . . . . . . . 51174 2 36 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.849 0.006 . . . . . . . . . . 51174 2 37 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.879 0.015 . . . . . . . . . . 51174 2 38 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.824 0.006 . . . . . . . . . . 51174 2 39 . 1 1 44 44 ILE N N 15 . 1 1 44 44 ILE H H 1 0.874 0.006 . . . . . . . . . . 51174 2 40 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.869 0.006 . . . . . . . . . . 51174 2 41 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.809 0.008 . . . . . . . . . . 51174 2 42 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.812 0.008 . . . . . . . . . . 51174 2 43 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.845 0.006 . . . . . . . . . . 51174 2 44 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.786 0.006 . . . . . . . . . . 51174 2 45 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.845 0.008 . . . . . . . . . . 51174 2 46 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.849 0.006 . . . . . . . . . . 51174 2 47 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.819 0.007 . . . . . . . . . . 51174 2 48 . 1 1 54 54 ARG N N 15 . 1 1 54 54 ARG H H 1 0.868 0.009 . . . . . . . . . . 51174 2 49 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.842 0.012 . . . . . . . . . . 51174 2 50 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.876 0.007 . . . . . . . . . . 51174 2 51 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.854 0.006 . . . . . . . . . . 51174 2 52 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.855 0.006 . . . . . . . . . . 51174 2 53 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.855 0.006 . . . . . . . . . . 51174 2 54 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 0.851 0.006 . . . . . . . . . . 51174 2 55 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.861 0.006 . . . . . . . . . . 51174 2 56 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN H H 1 0.704 0.006 . . . . . . . . . . 51174 2 57 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.829 0.006 . . . . . . . . . . 51174 2 58 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.861 0.006 . . . . . . . . . . 51174 2 59 . 1 1 65 65 SER N N 15 . 1 1 65 65 SER H H 1 0.854 0.016 . . . . . . . . . . 51174 2 60 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.845 0.006 . . . . . . . . . . 51174 2 61 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.880 0.006 . . . . . . . . . . 51174 2 62 . 1 1 68 68 HIS N N 15 . 1 1 68 68 HIS H H 1 0.869 0.017 . . . . . . . . . . 51174 2 63 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.866 0.009 . . . . . . . . . . 51174 2 64 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.873 0.014 . . . . . . . . . . 51174 2 65 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.810 0.006 . . . . . . . . . . 51174 2 66 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.796 0.009 . . . . . . . . . . 51174 2 67 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.604 0.006 . . . . . . . . . . 51174 2 68 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.411 0.006 . . . . . . . . . . 51174 2 69 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.121 0.006 . . . . . . . . . . 51174 2 70 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 -0.322 0.006 . . . . . . . . . . 51174 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51174 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name Ub_600_T1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _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 'T1/R1 relaxation' . . . 51174 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51174 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 2 2 GLN N N 15 2.077 0.008 . . . . . 51174 1 2 . 1 1 3 3 ILE N N 15 2.253 0.013 . . . . . 51174 1 3 . 1 1 4 4 PHE N N 15 2.280 0.009 . . . . . 51174 1 4 . 1 1 5 5 VAL N N 15 2.152 0.011 . . . . . 51174 1 5 . 1 1 6 6 LYS N N 15 2.241 0.010 . . . . . 51174 1 6 . 1 1 7 7 THR N N 15 2.184 0.015 . . . . . 51174 1 7 . 1 1 8 8 LEU N N 15 2.127 0.008 . . . . . 51174 1 8 . 1 1 9 9 THR N N 15 2.005 0.008 . . . . . 51174 1 9 . 1 1 10 10 GLY N N 15 2.022 0.012 . . . . . 51174 1 10 . 1 1 11 11 LYS N N 15 1.922 0.007 . . . . . 51174 1 11 . 1 1 12 12 THR N N 15 2.019 0.009 . . . . . 51174 1 12 . 1 1 13 13 ILE N N 15 2.172 0.014 . . . . . 51174 1 13 . 1 1 14 14 THR N N 15 2.106 0.008 . . . . . 51174 1 14 . 1 1 15 15 LEU N N 15 2.230 0.008 . . . . . 51174 1 15 . 1 1 16 16 GLU N N 15 2.009 0.008 . . . . . 51174 1 16 . 1 1 17 17 VAL N N 15 2.182 0.010 . . . . . 51174 1 17 . 1 1 18 18 GLU N N 15 2.079 0.014 . . . . . 51174 1 18 . 1 1 20 20 SER N N 15 2.141 0.008 . . . . . 51174 1 19 . 1 1 21 21 ASP N N 15 2.325 0.014 . . . . . 51174 1 20 . 1 1 22 22 THR N N 15 2.209 0.008 . . . . . 51174 1 21 . 1 1 23 23 ILE N N 15 2.335 0.009 . . . . . 51174 1 22 . 1 1 25 25 ASN N N 15 2.296 0.023 . . . . . 51174 1 23 . 1 1 26 26 VAL N N 15 2.270 0.015 . . . . . 51174 1 24 . 1 1 27 27 LYS N N 15 2.319 0.009 . . . . . 51174 1 25 . 1 1 28 28 ALA N N 15 2.323 0.009 . . . . . 51174 1 26 . 1 1 29 29 LYS N N 15 2.264 0.012 . . . . . 51174 1 27 . 1 1 30 30 ILE N N 15 2.295 0.011 . . . . . 51174 1 28 . 1 1 31 31 GLN N N 15 2.304 0.009 . . . . . 51174 1 29 . 1 1 32 32 ASP N N 15 2.250 0.009 . . . . . 51174 1 30 . 1 1 33 33 LYS N N 15 2.163 0.008 . . . . . 51174 1 31 . 1 1 34 34 GLU N N 15 2.157 0.025 . . . . . 51174 1 32 . 1 1 35 35 GLY N N 15 2.170 0.010 . . . . . 51174 1 33 . 1 1 36 36 ILE N N 15 1.622 0.042 . . . . . 51174 1 34 . 1 1 39 39 ASP N N 15 2.235 0.008 . . . . . 51174 1 35 . 1 1 40 40 GLN N N 15 2.210 0.008 . . . . . 51174 1 36 . 1 1 41 41 GLN N N 15 2.206 0.020 . . . . . 51174 1 37 . 1 1 42 42 ARG N N 15 2.191 0.008 . . . . . 51174 1 38 . 1 1 43 43 LEU N N 15 2.137 0.008 . . . . . 51174 1 39 . 1 1 44 44 ILE N N 15 2.222 0.008 . . . . . 51174 1 40 . 1 1 45 45 PHE N N 15 2.237 0.017 . . . . . 51174 1 41 . 1 1 46 46 ALA N N 15 2.188 0.008 . . . . . 51174 1 42 . 1 1 47 47 GLY N N 15 2.111 0.008 . . . . . 51174 1 43 . 1 1 48 48 LYS N N 15 2.139 0.008 . . . . . 51174 1 44 . 1 1 49 49 GLN N N 15 2.024 0.013 . . . . . 51174 1 45 . 1 1 50 50 LEU N N 15 2.199 0.019 . . . . . 51174 1 46 . 1 1 51 51 GLU N N 15 2.052 0.008 . . . . . 51174 1 47 . 1 1 52 52 ASP N N 15 1.956 0.007 . . . . . 51174 1 48 . 1 1 54 54 ARG N N 15 2.107 0.008 . . . . . 51174 1 49 . 1 1 55 55 THR N N 15 2.170 0.008 . . . . . 51174 1 50 . 1 1 56 56 LEU N N 15 2.306 0.009 . . . . . 51174 1 51 . 1 1 57 57 SER N N 15 2.258 0.009 . . . . . 51174 1 52 . 1 1 58 58 ASP N N 15 2.314 0.009 . . . . . 51174 1 53 . 1 1 59 59 TYR N N 15 2.184 0.009 . . . . . 51174 1 54 . 1 1 60 60 ASN N N 15 2.238 0.011 . . . . . 51174 1 55 . 1 1 61 61 ILE N N 15 2.226 0.009 . . . . . 51174 1 56 . 1 1 62 62 GLN N N 15 1.893 0.008 . . . . . 51174 1 57 . 1 1 63 63 LYS N N 15 2.068 0.008 . . . . . 51174 1 58 . 1 1 64 64 GLU N N 15 2.278 0.009 . . . . . 51174 1 59 . 1 1 65 65 SER N N 15 2.201 0.012 . . . . . 51174 1 60 . 1 1 66 66 THR N N 15 2.120 0.008 . . . . . 51174 1 61 . 1 1 67 67 LEU N N 15 2.202 0.012 . . . . . 51174 1 62 . 1 1 68 68 HIS N N 15 2.173 0.015 . . . . . 51174 1 63 . 1 1 69 69 LEU N N 15 2.192 0.026 . . . . . 51174 1 64 . 1 1 70 70 VAL N N 15 2.247 0.010 . . . . . 51174 1 65 . 1 1 71 71 LEU N N 15 2.110 0.013 . . . . . 51174 1 66 . 1 1 72 72 ARG N N 15 2.101 0.009 . . . . . 51174 1 67 . 1 1 73 73 LEU N N 15 1.813 0.010 . . . . . 51174 1 68 . 1 1 74 74 ARG N N 15 1.548 0.006 . . . . . 51174 1 69 . 1 1 75 75 GLY N N 15 1.184 0.010 . . . . . 51174 1 70 . 1 1 76 76 GLY N N 15 0.756 0.003 . . . . . 51174 1 stop_ save_ save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 51174 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name Ub_900_T1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 900 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _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 4 'T1/R1 relaxation' . . . 51174 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51174 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 2 2 GLN N N 15 1.475 0.007 . . . . . 51174 2 2 . 1 1 3 3 ILE N N 15 1.621 0.007 . . . . . 51174 2 3 . 1 1 4 4 PHE N N 15 1.626 0.007 . . . . . 51174 2 4 . 1 1 5 5 VAL N N 15 1.497 0.006 . . . . . 51174 2 5 . 1 1 6 6 LYS N N 15 1.619 0.009 . . . . . 51174 2 6 . 1 1 7 7 THR N N 15 1.560 0.007 . . . . . 51174 2 7 . 1 1 8 8 LEU N N 15 1.628 0.013 . . . . . 51174 2 8 . 1 1 9 9 THR N N 15 1.535 0.012 . . . . . 51174 2 9 . 1 1 10 10 GLY N N 15 1.556 0.007 . . . . . 51174 2 10 . 1 1 11 11 LYS N N 15 1.459 0.006 . . . . . 51174 2 11 . 1 1 12 12 THR N N 15 1.471 0.006 . . . . . 51174 2 12 . 1 1 13 13 ILE N N 15 1.583 0.014 . . . . . 51174 2 13 . 1 1 14 14 THR N N 15 1.496 0.006 . . . . . 51174 2 14 . 1 1 15 15 LEU N N 15 1.611 0.007 . . . . . 51174 2 15 . 1 1 16 16 GLU N N 15 1.389 0.007 . . . . . 51174 2 16 . 1 1 17 17 VAL N N 15 1.560 0.011 . . . . . 51174 2 17 . 1 1 18 18 GLU N N 15 1.439 0.006 . . . . . 51174 2 18 . 1 1 20 20 SER N N 15 1.360 0.006 . . . . . 51174 2 19 . 1 1 21 21 ASP N N 15 1.699 0.007 . . . . . 51174 2 20 . 1 1 22 22 THR N N 15 1.591 0.007 . . . . . 51174 2 21 . 1 1 23 23 ILE N N 15 1.688 0.007 . . . . . 51174 2 22 . 1 1 25 25 ASN N N 15 1.652 0.010 . . . . . 51174 2 23 . 1 1 26 26 VAL N N 15 1.632 0.007 . . . . . 51174 2 24 . 1 1 27 27 LYS N N 15 1.651 0.007 . . . . . 51174 2 25 . 1 1 28 28 ALA N N 15 1.697 0.007 . . . . . 51174 2 26 . 1 1 29 29 LYS N N 15 1.618 0.007 . . . . . 51174 2 27 . 1 1 30 30 ILE N N 15 1.635 0.008 . . . . . 51174 2 28 . 1 1 31 31 GLN N N 15 1.642 0.017 . . . . . 51174 2 29 . 1 1 32 32 ASP N N 15 1.619 0.014 . . . . . 51174 2 30 . 1 1 33 33 LYS N N 15 1.559 0.010 . . . . . 51174 2 31 . 1 1 34 34 GLU N N 15 1.526 0.006 . . . . . 51174 2 32 . 1 1 35 35 GLY N N 15 1.510 0.028 . . . . . 51174 2 33 . 1 1 36 36 ILE N N 15 1.021 0.005 . . . . . 51174 2 34 . 1 1 39 39 ASP N N 15 1.640 0.013 . . . . . 51174 2 35 . 1 1 40 40 GLN N N 15 1.580 0.015 . . . . . 51174 2 36 . 1 1 41 41 GLN N N 15 1.589 0.007 . . . . . 51174 2 37 . 1 1 42 42 ARG N N 15 1.529 0.006 . . . . . 51174 2 38 . 1 1 43 43 LEU N N 15 1.505 0.006 . . . . . 51174 2 39 . 1 1 44 44 ILE N N 15 1.555 0.007 . . . . . 51174 2 40 . 1 1 45 45 PHE N N 15 1.580 0.011 . . . . . 51174 2 41 . 1 1 46 46 ALA N N 15 1.610 0.009 . . . . . 51174 2 42 . 1 1 47 47 GLY N N 15 1.518 0.007 . . . . . 51174 2 43 . 1 1 48 48 LYS N N 15 1.541 0.006 . . . . . 51174 2 44 . 1 1 49 49 GLN N N 15 1.470 0.009 . . . . . 51174 2 45 . 1 1 50 50 LEU N N 15 1.592 0.007 . . . . . 51174 2 46 . 1 1 51 51 GLU N N 15 1.439 0.006 . . . . . 51174 2 47 . 1 1 52 52 ASP N N 15 1.374 0.006 . . . . . 51174 2 48 . 1 1 54 54 ARG N N 15 1.509 0.006 . . . . . 51174 2 49 . 1 1 55 55 THR N N 15 1.573 0.012 . . . . . 51174 2 50 . 1 1 56 56 LEU N N 15 1.678 0.007 . . . . . 51174 2 51 . 1 1 57 57 SER N N 15 1.632 0.018 . . . . . 51174 2 52 . 1 1 58 58 ASP N N 15 1.722 0.020 . . . . . 51174 2 53 . 1 1 59 59 TYR N N 15 1.528 0.010 . . . . . 51174 2 54 . 1 1 60 60 ASN N N 15 1.626 0.014 . . . . . 51174 2 55 . 1 1 61 61 ILE N N 15 1.590 0.011 . . . . . 51174 2 56 . 1 1 62 62 GLN N N 15 1.395 0.009 . . . . . 51174 2 57 . 1 1 63 63 LYS N N 15 1.460 0.010 . . . . . 51174 2 58 . 1 1 64 64 GLU N N 15 1.623 0.014 . . . . . 51174 2 59 . 1 1 65 65 SER N N 15 1.619 0.007 . . . . . 51174 2 60 . 1 1 66 66 THR N N 15 1.499 0.006 . . . . . 51174 2 61 . 1 1 67 67 LEU N N 15 1.569 0.007 . . . . . 51174 2 62 . 1 1 68 68 HIS N N 15 1.515 0.006 . . . . . 51174 2 63 . 1 1 69 69 LEU N N 15 1.562 0.007 . . . . . 51174 2 64 . 1 1 70 70 VAL N N 15 1.614 0.007 . . . . . 51174 2 65 . 1 1 71 71 LEU N N 15 1.549 0.007 . . . . . 51174 2 66 . 1 1 72 72 ARG N N 15 1.582 0.021 . . . . . 51174 2 67 . 1 1 73 73 LEU N N 15 1.567 0.007 . . . . . 51174 2 68 . 1 1 74 74 ARG N N 15 1.424 0.010 . . . . . 51174 2 69 . 1 1 75 75 GLY N N 15 1.209 0.005 . . . . . 51174 2 70 . 1 1 76 76 GLY N N 15 0.814 0.008 . . . . . 51174 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51174 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name Ub_600_T2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T2/R2 relaxation' . . . 51174 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51174 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 GLN N N 15 5.996 0.055 . . . . . . . 51174 1 2 . 1 1 3 3 ILE N N 15 6.006 0.076 . . . . . . . 51174 1 3 . 1 1 4 4 PHE N N 15 6.036 0.040 . . . . . . . 51174 1 4 . 1 1 5 5 VAL N N 15 5.727 0.063 . . . . . . . 51174 1 5 . 1 1 6 6 LYS N N 15 5.855 0.039 . . . . . . . 51174 1 6 . 1 1 7 7 THR N N 15 6.002 0.045 . . . . . . . 51174 1 7 . 1 1 8 8 LEU N N 15 5.359 0.045 . . . . . . . 51174 1 8 . 1 1 9 9 THR N N 15 5.275 0.035 . . . . . . . 51174 1 9 . 1 1 10 10 GLY N N 15 5.167 0.044 . . . . . . . 51174 1 10 . 1 1 11 11 LYS N N 15 5.170 0.034 . . . . . . . 51174 1 11 . 1 1 12 12 THR N N 15 5.348 0.035 . . . . . . . 51174 1 12 . 1 1 13 13 ILE N N 15 5.920 0.039 . . . . . . . 51174 1 13 . 1 1 14 14 THR N N 15 5.834 0.039 . . . . . . . 51174 1 14 . 1 1 15 15 LEU N N 15 5.838 0.059 . . . . . . . 51174 1 15 . 1 1 16 16 GLU N N 15 5.510 0.044 . . . . . . . 51174 1 16 . 1 1 17 17 VAL N N 15 6.067 0.043 . . . . . . . 51174 1 17 . 1 1 18 18 GLU N N 15 6.008 0.040 . . . . . . . 51174 1 18 . 1 1 20 20 SER N N 15 5.919 0.039 . . . . . . . 51174 1 19 . 1 1 21 21 ASP N N 15 6.424 0.090 . . . . . . . 51174 1 20 . 1 1 22 22 THR N N 15 5.891 0.039 . . . . . . . 51174 1 21 . 1 1 23 23 ILE N N 15 7.121 0.052 . . . . . . . 51174 1 22 . 1 1 25 25 ASN N N 15 8.671 0.063 . . . . . . . 51174 1 23 . 1 1 26 26 VAL N N 15 6.017 0.040 . . . . . . . 51174 1 24 . 1 1 27 27 LYS N N 15 6.300 0.042 . . . . . . . 51174 1 25 . 1 1 28 28 ALA N N 15 6.396 0.042 . . . . . . . 51174 1 26 . 1 1 29 29 LYS N N 15 6.063 0.040 . . . . . . . 51174 1 27 . 1 1 30 30 ILE N N 15 6.007 0.109 . . . . . . . 51174 1 28 . 1 1 31 31 GLN N N 15 6.209 0.041 . . . . . . . 51174 1 29 . 1 1 32 32 ASP N N 15 6.154 0.076 . . . . . . . 51174 1 30 . 1 1 33 33 LYS N N 15 5.910 0.058 . . . . . . . 51174 1 31 . 1 1 34 34 GLU N N 15 5.781 0.038 . . . . . . . 51174 1 32 . 1 1 35 35 GLY N N 15 6.294 0.075 . . . . . . . 51174 1 33 . 1 1 36 36 ILE N N 15 5.563 0.121 . . . . . . . 51174 1 34 . 1 1 39 39 ASP N N 15 5.821 0.044 . . . . . . . 51174 1 35 . 1 1 40 40 GLN N N 15 5.939 0.047 . . . . . . . 51174 1 36 . 1 1 41 41 GLN N N 15 5.820 0.038 . . . . . . . 51174 1 37 . 1 1 42 42 ARG N N 15 5.802 0.038 . . . . . . . 51174 1 38 . 1 1 43 43 LEU N N 15 5.984 0.039 . . . . . . . 51174 1 39 . 1 1 44 44 ILE N N 15 5.800 0.076 . . . . . . . 51174 1 40 . 1 1 45 45 PHE N N 15 6.253 0.063 . . . . . . . 51174 1 41 . 1 1 46 46 ALA N N 15 5.821 0.108 . . . . . . . 51174 1 42 . 1 1 47 47 GLY N N 15 5.526 0.113 . . . . . . . 51174 1 43 . 1 1 48 48 LYS N N 15 6.161 0.041 . . . . . . . 51174 1 44 . 1 1 49 49 GLN N N 15 5.375 0.035 . . . . . . . 51174 1 45 . 1 1 50 50 LEU N N 15 5.904 0.039 . . . . . . . 51174 1 46 . 1 1 51 51 GLU N N 15 5.922 0.039 . . . . . . . 51174 1 47 . 1 1 52 52 ASP N N 15 5.738 0.038 . . . . . . . 51174 1 48 . 1 1 54 54 ARG N N 15 6.056 0.052 . . . . . . . 51174 1 49 . 1 1 55 55 THR N N 15 6.410 0.076 . . . . . . . 51174 1 50 . 1 1 56 56 LEU N N 15 6.035 0.050 . . . . . . . 51174 1 51 . 1 1 57 57 SER N N 15 5.984 0.039 . . . . . . . 51174 1 52 . 1 1 58 58 ASP N N 15 6.269 0.041 . . . . . . . 51174 1 53 . 1 1 59 59 TYR N N 15 5.802 0.075 . . . . . . . 51174 1 54 . 1 1 60 60 ASN N N 15 5.996 0.040 . . . . . . . 51174 1 55 . 1 1 61 61 ILE N N 15 5.888 0.056 . . . . . . . 51174 1 56 . 1 1 62 62 GLN N N 15 5.157 0.034 . . . . . . . 51174 1 57 . 1 1 63 63 LYS N N 15 5.833 0.038 . . . . . . . 51174 1 58 . 1 1 64 64 GLU N N 15 5.867 0.049 . . . . . . . 51174 1 59 . 1 1 65 65 SER N N 15 5.999 0.040 . . . . . . . 51174 1 60 . 1 1 66 66 THR N N 15 5.691 0.040 . . . . . . . 51174 1 61 . 1 1 67 67 LEU N N 15 5.790 0.092 . . . . . . . 51174 1 62 . 1 1 68 68 HIS N N 15 5.846 0.039 . . . . . . . 51174 1 63 . 1 1 69 69 LEU N N 15 5.792 0.079 . . . . . . . 51174 1 64 . 1 1 70 70 VAL N N 15 6.794 0.045 . . . . . . . 51174 1 65 . 1 1 71 71 LEU N N 15 5.560 0.037 . . . . . . . 51174 1 66 . 1 1 72 72 ARG N N 15 5.089 0.039 . . . . . . . 51174 1 67 . 1 1 73 73 LEU N N 15 3.694 0.024 . . . . . . . 51174 1 68 . 1 1 74 74 ARG N N 15 2.844 0.031 . . . . . . . 51174 1 69 . 1 1 75 75 GLY N N 15 1.923 0.013 . . . . . . . 51174 1 70 . 1 1 76 76 GLY N N 15 1.205 0.008 . . . . . . . 51174 1 stop_ save_ save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 51174 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name Ub_900_T2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 900 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 'T2/R2 relaxation' . . . 51174 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51174 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 GLN N N 15 7.459 0.032 . . . . . . . 51174 2 2 . 1 1 3 3 ILE N N 15 7.279 0.034 . . . . . . . 51174 2 3 . 1 1 4 4 PHE N N 15 7.277 0.075 . . . . . . . 51174 2 4 . 1 1 5 5 VAL N N 15 6.630 0.029 . . . . . . . 51174 2 5 . 1 1 6 6 LYS N N 15 7.103 0.052 . . . . . . . 51174 2 6 . 1 1 7 7 THR N N 15 7.276 0.056 . . . . . . . 51174 2 7 . 1 1 8 8 LEU N N 15 6.722 0.029 . . . . . . . 51174 2 8 . 1 1 9 9 THR N N 15 6.818 0.029 . . . . . . . 51174 2 9 . 1 1 10 10 GLY N N 15 6.377 0.145 . . . . . . . 51174 2 10 . 1 1 11 11 LYS N N 15 6.545 0.028 . . . . . . . 51174 2 11 . 1 1 12 12 THR N N 15 6.389 0.027 . . . . . . . 51174 2 12 . 1 1 13 13 ILE N N 15 7.470 0.121 . . . . . . . 51174 2 13 . 1 1 14 14 THR N N 15 7.480 0.032 . . . . . . . 51174 2 14 . 1 1 15 15 LEU N N 15 6.931 0.030 . . . . . . . 51174 2 15 . 1 1 16 16 GLU N N 15 6.545 0.028 . . . . . . . 51174 2 16 . 1 1 17 17 VAL N N 15 7.319 0.065 . . . . . . . 51174 2 17 . 1 1 18 18 GLU N N 15 7.306 0.055 . . . . . . . 51174 2 18 . 1 1 20 20 SER N N 15 7.063 0.074 . . . . . . . 51174 2 19 . 1 1 21 21 ASP N N 15 8.094 0.055 . . . . . . . 51174 2 20 . 1 1 22 22 THR N N 15 7.195 0.031 . . . . . . . 51174 2 21 . 1 1 23 23 ILE N N 15 9.987 0.043 . . . . . . . 51174 2 22 . 1 1 25 25 ASN N N 15 13.555 0.058 . . . . . . . 51174 2 23 . 1 1 26 26 VAL N N 15 7.335 0.032 . . . . . . . 51174 2 24 . 1 1 27 27 LYS N N 15 7.828 0.034 . . . . . . . 51174 2 25 . 1 1 28 28 ALA N N 15 7.979 0.064 . . . . . . . 51174 2 26 . 1 1 29 29 LYS N N 15 7.378 0.032 . . . . . . . 51174 2 27 . 1 1 30 30 ILE N N 15 7.406 0.032 . . . . . . . 51174 2 28 . 1 1 31 31 GLN N N 15 7.778 0.033 . . . . . . . 51174 2 29 . 1 1 32 32 ASP N N 15 7.392 0.032 . . . . . . . 51174 2 30 . 1 1 33 33 LYS N N 15 7.367 0.037 . . . . . . . 51174 2 31 . 1 1 34 34 GLU N N 15 6.941 0.030 . . . . . . . 51174 2 32 . 1 1 35 35 GLY N N 15 7.750 0.043 . . . . . . . 51174 2 33 . 1 1 36 36 ILE N N 15 6.974 0.039 . . . . . . . 51174 2 34 . 1 1 39 39 ASP N N 15 7.182 0.031 . . . . . . . 51174 2 35 . 1 1 40 40 GLN N N 15 7.236 0.031 . . . . . . . 51174 2 36 . 1 1 41 41 GLN N N 15 6.991 0.045 . . . . . . . 51174 2 37 . 1 1 42 42 ARG N N 15 6.887 0.033 . . . . . . . 51174 2 38 . 1 1 43 43 LEU N N 15 7.441 0.044 . . . . . . . 51174 2 39 . 1 1 44 44 ILE N N 15 6.823 0.086 . . . . . . . 51174 2 40 . 1 1 45 45 PHE N N 15 7.756 0.152 . . . . . . . 51174 2 41 . 1 1 46 46 ALA N N 15 7.104 0.031 . . . . . . . 51174 2 42 . 1 1 47 47 GLY N N 15 6.652 0.068 . . . . . . . 51174 2 43 . 1 1 48 48 LYS N N 15 7.624 0.033 . . . . . . . 51174 2 44 . 1 1 49 49 GLN N N 15 6.563 0.028 . . . . . . . 51174 2 45 . 1 1 50 50 LEU N N 15 7.100 0.044 . . . . . . . 51174 2 46 . 1 1 51 51 GLU N N 15 7.117 0.031 . . . . . . . 51174 2 47 . 1 1 52 52 ASP N N 15 7.079 0.030 . . . . . . . 51174 2 48 . 1 1 54 54 ARG N N 15 7.608 0.033 . . . . . . . 51174 2 49 . 1 1 55 55 THR N N 15 8.272 0.036 . . . . . . . 51174 2 50 . 1 1 56 56 LEU N N 15 7.229 0.031 . . . . . . . 51174 2 51 . 1 1 57 57 SER N N 15 7.396 0.045 . . . . . . . 51174 2 52 . 1 1 58 58 ASP N N 15 7.849 0.034 . . . . . . . 51174 2 53 . 1 1 59 59 TYR N N 15 6.855 0.059 . . . . . . . 51174 2 54 . 1 1 60 60 ASN N N 15 7.297 0.071 . . . . . . . 51174 2 55 . 1 1 61 61 ILE N N 15 7.167 0.031 . . . . . . . 51174 2 56 . 1 1 62 62 GLN N N 15 6.142 0.026 . . . . . . . 51174 2 57 . 1 1 63 63 LYS N N 15 7.191 0.032 . . . . . . . 51174 2 58 . 1 1 64 64 GLU N N 15 7.007 0.047 . . . . . . . 51174 2 59 . 1 1 65 65 SER N N 15 7.460 0.051 . . . . . . . 51174 2 60 . 1 1 66 66 THR N N 15 6.780 0.029 . . . . . . . 51174 2 61 . 1 1 67 67 LEU N N 15 7.014 0.049 . . . . . . . 51174 2 62 . 1 1 68 68 HIS N N 15 7.112 0.056 . . . . . . . 51174 2 63 . 1 1 69 69 LEU N N 15 7.008 0.054 . . . . . . . 51174 2 64 . 1 1 70 70 VAL N N 15 9.000 0.039 . . . . . . . 51174 2 65 . 1 1 71 71 LEU N N 15 6.914 0.030 . . . . . . . 51174 2 66 . 1 1 72 72 ARG N N 15 6.176 0.089 . . . . . . . 51174 2 67 . 1 1 73 73 LEU N N 15 4.412 0.062 . . . . . . . 51174 2 68 . 1 1 74 74 ARG N N 15 3.346 0.014 . . . . . . . 51174 2 69 . 1 1 75 75 GLY N N 15 2.224 0.016 . . . . . . . 51174 2 70 . 1 1 76 76 GLY N N 15 1.347 0.094 . . . . . . . 51174 2 stop_ save_