data_50119 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50119 _Entry.Title ; Intramolecular synergy enhances the microtubule end-binding affinity of EB1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-09 _Entry.Accession_date 2019-12-09 _Entry.Last_release_date 2020-01-29 _Entry.Original_release_date 2020-01-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yi Xue . . . . 50119 2 Ying Pan . . . . 50119 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50119 heteronucl_NOEs 1 50119 heteronucl_T1_relaxation 1 50119 heteronucl_T2_relaxation 1 50119 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 174 50119 '15N chemical shifts' 48 50119 '1H chemical shifts' 50 50119 'T1 relaxation values' 45 50119 'T2 relaxation values' 47 50119 'heteronuclear NOE values' 44 50119 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 . . 2023-06-05 2019-12-09 update author 'update values of resiude VAL12, ASN17, ASN53' 50119 1 . . 2020-02-19 2019-12-09 original author 'original release' 50119 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50120 'EB1 linker-4D' 50119 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50119 _Citation.ID 1 _Citation.Name EB1linker-wt _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Intramolecular synergy enhances the microtubule end-binding affinity of EB1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 . Liang . . . . 50119 1 2 . Song . . . . 50119 1 3 . Zhang . . . . 50119 1 4 . Pan . . . . 50119 1 5 . He . . . . 50119 1 6 . Wang . . . . 50119 1 7 . Chen . . . . 50119 1 8 . Guo . . . . 50119 1 9 . Deng . . . . 50119 1 10 Yi Xue . . . . 50119 1 11 Ying Fang . . . . 50119 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50119 _Assembly.ID 1 _Assembly.Name EB1linker-wt _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 EB1linker-wt 1 $entity_1 . . yes native no no . . . 50119 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50119 _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 ; QGQETAVAPSLVAPALNKPK KPLTSSSAAPQRPISTQRTA AAPKAGPGVVRKNPGVGNGD D ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _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 . GLN . 50119 1 2 . GLY . 50119 1 3 . GLN . 50119 1 4 . GLU . 50119 1 5 . THR . 50119 1 6 . ALA . 50119 1 7 . VAL . 50119 1 8 . ALA . 50119 1 9 . PRO . 50119 1 10 . SER . 50119 1 11 . LEU . 50119 1 12 . VAL . 50119 1 13 . ALA . 50119 1 14 . PRO . 50119 1 15 . ALA . 50119 1 16 . LEU . 50119 1 17 . ASN . 50119 1 18 . LYS . 50119 1 19 . PRO . 50119 1 20 . LYS . 50119 1 21 . LYS . 50119 1 22 . PRO . 50119 1 23 . LEU . 50119 1 24 . THR . 50119 1 25 . SER . 50119 1 26 . SER . 50119 1 27 . SER . 50119 1 28 . ALA . 50119 1 29 . ALA . 50119 1 30 . PRO . 50119 1 31 . GLN . 50119 1 32 . ARG . 50119 1 33 . PRO . 50119 1 34 . ILE . 50119 1 35 . SER . 50119 1 36 . THR . 50119 1 37 . GLN . 50119 1 38 . ARG . 50119 1 39 . THR . 50119 1 40 . ALA . 50119 1 41 . ALA . 50119 1 42 . ALA . 50119 1 43 . PRO . 50119 1 44 . LYS . 50119 1 45 . ALA . 50119 1 46 . GLY . 50119 1 47 . PRO . 50119 1 48 . GLY . 50119 1 49 . VAL . 50119 1 50 . VAL . 50119 1 51 . ARG . 50119 1 52 . LYS . 50119 1 53 . ASN . 50119 1 54 . PRO . 50119 1 55 . GLY . 50119 1 56 . VAL . 50119 1 57 . GLY . 50119 1 58 . ASN . 50119 1 59 . GLY . 50119 1 60 . ASP . 50119 1 61 . ASP . 50119 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 . GLN 1 1 50119 1 . GLY 2 2 50119 1 . GLN 3 3 50119 1 . GLU 4 4 50119 1 . THR 5 5 50119 1 . ALA 6 6 50119 1 . VAL 7 7 50119 1 . ALA 8 8 50119 1 . PRO 9 9 50119 1 . SER 10 10 50119 1 . LEU 11 11 50119 1 . VAL 12 12 50119 1 . ALA 13 13 50119 1 . PRO 14 14 50119 1 . ALA 15 15 50119 1 . LEU 16 16 50119 1 . ASN 17 17 50119 1 . LYS 18 18 50119 1 . PRO 19 19 50119 1 . LYS 20 20 50119 1 . LYS 21 21 50119 1 . PRO 22 22 50119 1 . LEU 23 23 50119 1 . THR 24 24 50119 1 . SER 25 25 50119 1 . SER 26 26 50119 1 . SER 27 27 50119 1 . ALA 28 28 50119 1 . ALA 29 29 50119 1 . PRO 30 30 50119 1 . GLN 31 31 50119 1 . ARG 32 32 50119 1 . PRO 33 33 50119 1 . ILE 34 34 50119 1 . SER 35 35 50119 1 . THR 36 36 50119 1 . GLN 37 37 50119 1 . ARG 38 38 50119 1 . THR 39 39 50119 1 . ALA 40 40 50119 1 . ALA 41 41 50119 1 . ALA 42 42 50119 1 . PRO 43 43 50119 1 . LYS 44 44 50119 1 . ALA 45 45 50119 1 . GLY 46 46 50119 1 . PRO 47 47 50119 1 . GLY 48 48 50119 1 . VAL 49 49 50119 1 . VAL 50 50 50119 1 . ARG 51 51 50119 1 . LYS 52 52 50119 1 . ASN 53 53 50119 1 . PRO 54 54 50119 1 . GLY 55 55 50119 1 . VAL 56 56 50119 1 . GLY 57 57 50119 1 . ASN 58 58 50119 1 . GLY 59 59 50119 1 . ASP 60 60 50119 1 . ASP 61 61 50119 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 50119 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50119 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 50119 _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 . . pet28a-SUMO . . . 50119 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50119 _Sample.ID 1 _Sample.Name EB1linker-wt_15N _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50119 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50119 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50119 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50119 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50119 1 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 50119 1 7 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 50119 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50119 _Sample.ID 2 _Sample.Name EB1linker-wt_13C15N _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50119 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50119 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50119 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50119 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50119 2 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 50119 2 7 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 50119 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 50119 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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' 0.17 . M 50119 1 pH 6.0 . pH 50119 1 pressure 1 . atm 50119 1 temperature 298 . K 50119 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50119 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI 3.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50119 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50119 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50119 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI 3.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50119 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50119 2 processing . 50119 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50119 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI 3.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50119 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50119 3 'peak picking' . 50119 3 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 50119 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50119 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50119 1 2 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50119 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50119 1 4 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50119 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50119 1 6 '15N-(1H) NOE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50119 1 7 '15N R1' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50119 1 8 '15N R2' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50119 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50119 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name EB1linker-wt _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50119 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50119 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50119 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50119 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50119 1 2 '3D HNCACB' . . . 50119 1 3 '3D CBCA(CO)NH' . . . 50119 1 4 '3D HNCA' . . . 50119 1 5 '3D HN(CO)CA' . . . 50119 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN C C 13 178.462 0.000 . 1 . . . . . 1 GLN C . 50119 1 2 . 1 . 1 1 1 GLN CA C 13 59.914 0.000 . 1 . . . . . 1 GLN CA . 50119 1 3 . 1 . 1 1 1 GLN CB C 13 27.811 0.000 . 1 . . . . . 1 GLN CB . 50119 1 4 . 1 . 1 2 2 GLY C C 13 174.139 0.000 . 1 . . . . . 2 GLY C . 50119 1 5 . 1 . 1 2 2 GLY CA C 13 45.082 0.000 . 1 . . . . . 2 GLY CA . 50119 1 6 . 1 . 1 3 3 GLN H H 1 8.561 0.000 . 1 . . . . . 3 GLN H . 50119 1 7 . 1 . 1 3 3 GLN C C 13 176.231 0.000 . 1 . . . . . 3 GLN C . 50119 1 8 . 1 . 1 3 3 GLN CA C 13 55.935 0.000 . 1 . . . . . 3 GLN CA . 50119 1 9 . 1 . 1 3 3 GLN CB C 13 29.209 0.000 . 1 . . . . . 3 GLN CB . 50119 1 10 . 1 . 1 3 3 GLN N N 15 120.636 0.000 . 1 . . . . . 3 GLN N . 50119 1 11 . 1 . 1 4 4 GLU H H 1 8.732 0.000 . 1 . . . . . 4 GLU H . 50119 1 12 . 1 . 1 4 4 GLU C C 13 176.639 0.000 . 1 . . . . . 4 GLU C . 50119 1 13 . 1 . 1 4 4 GLU CA C 13 56.782 0.000 . 1 . . . . . 4 GLU CA . 50119 1 14 . 1 . 1 4 4 GLU CB C 13 30.180 0.000 . 1 . . . . . 4 GLU CB . 50119 1 15 . 1 . 1 4 4 GLU N N 15 122.702 0.000 . 1 . . . . . 4 GLU N . 50119 1 16 . 1 . 1 5 5 THR H H 1 8.251 0.000 . 1 . . . . . 5 THR H . 50119 1 17 . 1 . 1 5 5 THR C C 13 174.172 0.000 . 1 . . . . . 5 THR C . 50119 1 18 . 1 . 1 5 5 THR CA C 13 62.009 0.000 . 1 . . . . . 5 THR CA . 50119 1 19 . 1 . 1 5 5 THR CB C 13 70.270 0.000 . 1 . . . . . 5 THR CB . 50119 1 20 . 1 . 1 5 5 THR N N 15 115.677 0.000 . 1 . . . . . 5 THR N . 50119 1 21 . 1 . 1 6 6 ALA H H 1 8.376 0.000 . 1 . . . . . 6 ALA H . 50119 1 22 . 1 . 1 6 6 ALA C C 13 177.406 0.000 . 1 . . . . . 6 ALA C . 50119 1 23 . 1 . 1 6 6 ALA CA C 13 52.430 0.000 . 1 . . . . . 6 ALA CA . 50119 1 24 . 1 . 1 6 6 ALA CB C 13 19.275 0.000 . 1 . . . . . 6 ALA CB . 50119 1 25 . 1 . 1 6 6 ALA N N 15 127.261 0.000 . 1 . . . . . 6 ALA N . 50119 1 26 . 1 . 1 7 7 VAL H H 1 8.154 0.000 . 1 . . . . . 7 VAL H . 50119 1 27 . 1 . 1 7 7 VAL C C 13 175.621 0.000 . 1 . . . . . 7 VAL C . 50119 1 28 . 1 . 1 7 7 VAL CA C 13 62.079 0.000 . 1 . . . . . 7 VAL CA . 50119 1 29 . 1 . 1 7 7 VAL CB C 13 32.771 0.000 . 1 . . . . . 7 VAL CB . 50119 1 30 . 1 . 1 7 7 VAL N N 15 119.978 0.000 . 1 . . . . . 7 VAL N . 50119 1 31 . 1 . 1 8 8 ALA H H 1 8.437 0.000 . 1 . . . . . 8 ALA H . 50119 1 32 . 1 . 1 8 8 ALA C C 13 173.007 0.000 . 1 . . . . . 8 ALA C . 50119 1 33 . 1 . 1 8 8 ALA CA C 13 50.519 0.000 . 1 . . . . . 8 ALA CA . 50119 1 34 . 1 . 1 8 8 ALA CB C 13 18.190 0.000 . 1 . . . . . 8 ALA CB . 50119 1 35 . 1 . 1 8 8 ALA N N 15 129.729 0.000 . 1 . . . . . 8 ALA N . 50119 1 36 . 1 . 1 9 9 PRO C C 13 177.008 0.000 . 1 . . . . . 9 PRO C . 50119 1 37 . 1 . 1 9 9 PRO CA C 13 63.414 0.000 . 1 . . . . . 9 PRO CA . 50119 1 38 . 1 . 1 9 9 PRO CB C 13 32.051 0.000 . 1 . . . . . 9 PRO CB . 50119 1 39 . 1 . 1 10 10 SER H H 1 8.366 0.000 . 1 . . . . . 10 SER H . 50119 1 40 . 1 . 1 10 10 SER C C 13 173.653 0.000 . 1 . . . . . 10 SER C . 50119 1 41 . 1 . 1 10 10 SER CA C 13 58.260 0.000 . 1 . . . . . 10 SER CA . 50119 1 42 . 1 . 1 10 10 SER CB C 13 63.887 0.000 . 1 . . . . . 10 SER CB . 50119 1 43 . 1 . 1 10 10 SER N N 15 115.543 0.000 . 1 . . . . . 10 SER N . 50119 1 44 . 1 . 1 11 11 LEU H H 1 8.348 0.000 . 1 . . . . . 11 LEU H . 50119 1 45 . 1 . 1 11 11 LEU C C 13 177.090 0.000 . 1 . . . . . 11 LEU C . 50119 1 46 . 1 . 1 11 11 LEU CA C 13 55.171 0.000 . 1 . . . . . 11 LEU CA . 50119 1 47 . 1 . 1 11 11 LEU CB C 13 42.415 0.000 . 1 . . . . . 11 LEU CB . 50119 1 48 . 1 . 1 11 11 LEU N N 15 124.519 0.000 . 1 . . . . . 11 LEU N . 50119 1 49 . 1 . 1 12 12 VAL H H 1 8.044 0.000 . 1 . . . . . 12 VAL H . 50119 1 50 . 1 . 1 12 12 VAL C C 13 175.451 0.000 . 1 . . . . . 12 VAL C . 50119 1 51 . 1 . 1 12 12 VAL CA C 13 62.150 0.000 . 1 . . . . . 12 VAL CA . 50119 1 52 . 1 . 1 12 12 VAL CB C 13 32.448 0.000 . 1 . . . . . 12 VAL CB . 50119 1 53 . 1 . 1 12 12 VAL N N 15 120.980 0.000 . 1 . . . . . 12 VAL N . 50119 1 54 . 1 . 1 13 13 ALA H H 1 8.383 0.000 . 1 . . . . . 13 ALA H . 50119 1 55 . 1 . 1 13 13 ALA C C 13 172.862 0.000 . 1 . . . . . 13 ALA C . 50119 1 56 . 1 . 1 13 13 ALA CA C 13 50.474 0.000 . 1 . . . . . 13 ALA CA . 50119 1 57 . 1 . 1 13 13 ALA CB C 13 18.190 0.000 . 1 . . . . . 13 ALA CB . 50119 1 58 . 1 . 1 13 13 ALA N N 15 129.634 0.000 . 1 . . . . . 13 ALA N . 50119 1 59 . 1 . 1 14 14 PRO C C 13 176.721 0.000 . 1 . . . . . 14 PRO C . 50119 1 60 . 1 . 1 14 14 PRO CA C 13 63.338 0.000 . 1 . . . . . 14 PRO CA . 50119 1 61 . 1 . 1 14 14 PRO CB C 13 32.018 0.000 . 1 . . . . . 14 PRO CB . 50119 1 62 . 1 . 1 15 15 ALA H H 1 8.383 0.000 . 1 . . . . . 15 ALA H . 50119 1 63 . 1 . 1 15 15 ALA C C 13 177.760 0.000 . 1 . . . . . 15 ALA C . 50119 1 64 . 1 . 1 15 15 ALA CA C 13 52.371 0.000 . 1 . . . . . 15 ALA CA . 50119 1 65 . 1 . 1 15 15 ALA CB C 13 19.069 0.000 . 1 . . . . . 15 ALA CB . 50119 1 66 . 1 . 1 15 15 ALA N N 15 123.927 0.000 . 1 . . . . . 15 ALA N . 50119 1 67 . 1 . 1 16 16 LEU H H 1 8.238 0.000 . 1 . . . . . 16 LEU H . 50119 1 68 . 1 . 1 16 16 LEU C C 13 177.087 0.000 . 1 . . . . . 16 LEU C . 50119 1 69 . 1 . 1 16 16 LEU CA C 13 54.955 0.000 . 1 . . . . . 16 LEU CA . 50119 1 70 . 1 . 1 16 16 LEU CB C 13 42.329 0.000 . 1 . . . . . 16 LEU CB . 50119 1 71 . 1 . 1 16 16 LEU N N 15 121.315 0.000 . 1 . . . . . 16 LEU N . 50119 1 72 . 1 . 1 17 17 ASN N N 15 119.448 0.000 . 1 . . . . . 17 ASN H . 50119 1 73 . 1 . 1 17 17 ASN C C 13 174.635 0.000 . 1 . . . . . 17 ASN C . 50119 1 74 . 1 . 1 17 17 ASN CA C 13 52.964 0.000 . 1 . . . . . 17 ASN CA . 50119 1 75 . 1 . 1 17 17 ASN CB C 13 38.822 0.000 . 1 . . . . . 17 ASN CB . 50119 1 76 . 1 . 1 18 18 LYS H H 1 8.212 0.000 . 1 . . . . . 18 LYS H . 50119 1 77 . 1 . 1 18 18 LYS C C 13 174.281 0.000 . 1 . . . . . 18 LYS C . 50119 1 78 . 1 . 1 18 18 LYS CA C 13 54.404 0.000 . 1 . . . . . 18 LYS CA . 50119 1 79 . 1 . 1 18 18 LYS CB C 13 32.445 0.000 . 1 . . . . . 18 LYS CB . 50119 1 80 . 1 . 1 18 18 LYS N N 15 122.882 0.000 . 1 . . . . . 18 LYS N . 50119 1 81 . 1 . 1 19 19 PRO C C 13 176.859 0.000 . 1 . . . . . 19 PRO C . 50119 1 82 . 1 . 1 19 19 PRO CA C 13 63.224 0.000 . 1 . . . . . 19 PRO CA . 50119 1 83 . 1 . 1 19 19 PRO CB C 13 32.205 0.000 . 1 . . . . . 19 PRO CB . 50119 1 84 . 1 . 1 20 20 LYS H H 1 8.524 0.000 . 1 . . . . . 20 LYS H . 50119 1 85 . 1 . 1 20 20 LYS C C 13 176.508 0.000 . 1 . . . . . 20 LYS C . 50119 1 86 . 1 . 1 20 20 LYS CA C 13 56.340 0.000 . 1 . . . . . 20 LYS CA . 50119 1 87 . 1 . 1 20 20 LYS CB C 13 33.041 0.000 . 1 . . . . . 20 LYS CB . 50119 1 88 . 1 . 1 20 20 LYS N N 15 122.377 0.000 . 1 . . . . . 20 LYS N . 50119 1 89 . 1 . 1 21 21 LYS H H 1 8.352 0.000 . 1 . . . . . 21 LYS H . 50119 1 90 . 1 . 1 21 21 LYS C C 13 174.401 0.000 . 1 . . . . . 21 LYS C . 50119 1 91 . 1 . 1 21 21 LYS CA C 13 54.327 0.000 . 1 . . . . . 21 LYS CA . 50119 1 92 . 1 . 1 21 21 LYS CB C 13 32.731 0.000 . 1 . . . . . 21 LYS CB . 50119 1 93 . 1 . 1 21 21 LYS N N 15 123.954 0.000 . 1 . . . . . 21 LYS N . 50119 1 94 . 1 . 1 22 22 PRO C C 13 176.846 0.000 . 1 . . . . . 22 PRO C . 50119 1 95 . 1 . 1 22 22 PRO CA C 13 63.062 0.000 . 1 . . . . . 22 PRO CA . 50119 1 96 . 1 . 1 22 22 PRO CB C 13 32.043 0.000 . 1 . . . . . 22 PRO CB . 50119 1 97 . 1 . 1 23 23 LEU H H 1 8.509 0.000 . 1 . . . . . 23 LEU H . 50119 1 98 . 1 . 1 23 23 LEU C C 13 177.837 0.000 . 1 . . . . . 23 LEU C . 50119 1 99 . 1 . 1 23 23 LEU CA C 13 55.220 0.000 . 1 . . . . . 23 LEU CA . 50119 1 100 . 1 . 1 23 23 LEU CB C 13 42.361 0.000 . 1 . . . . . 23 LEU CB . 50119 1 101 . 1 . 1 23 23 LEU N N 15 122.913 0.000 . 1 . . . . . 23 LEU N . 50119 1 102 . 1 . 1 24 24 THR H H 1 8.177 0.000 . 1 . . . . . 24 THR H . 50119 1 103 . 1 . 1 24 24 THR C C 13 174.528 0.000 . 1 . . . . . 24 THR C . 50119 1 104 . 1 . 1 24 24 THR CA C 13 61.623 0.000 . 1 . . . . . 24 THR CA . 50119 1 105 . 1 . 1 24 24 THR CB C 13 70.311 0.000 . 1 . . . . . 24 THR CB . 50119 1 106 . 1 . 1 24 24 THR N N 15 114.587 0.000 . 1 . . . . . 24 THR N . 50119 1 107 . 1 . 1 25 25 SER H H 1 8.420 0.000 . 1 . . . . . 25 SER H . 50119 1 108 . 1 . 1 25 25 SER C C 13 174.718 0.000 . 1 . . . . . 25 SER C . 50119 1 109 . 1 . 1 25 25 SER CA C 13 58.231 0.000 . 1 . . . . . 25 SER CA . 50119 1 110 . 1 . 1 25 25 SER CB C 13 64.097 0.000 . 1 . . . . . 25 SER CB . 50119 1 111 . 1 . 1 25 25 SER N N 15 117.984 0.000 . 1 . . . . . 25 SER N . 50119 1 112 . 1 . 1 26 26 SER H H 1 8.491 0.000 . 1 . . . . . 26 SER H . 50119 1 113 . 1 . 1 26 26 SER C C 13 174.625 0.000 . 1 . . . . . 26 SER C . 50119 1 114 . 1 . 1 26 26 SER CA C 13 58.527 0.000 . 1 . . . . . 26 SER CA . 50119 1 115 . 1 . 1 26 26 SER CB C 13 64.034 0.000 . 1 . . . . . 26 SER CB . 50119 1 116 . 1 . 1 26 26 SER N N 15 118.153 0.000 . 1 . . . . . 26 SER N . 50119 1 117 . 1 . 1 27 27 SER H H 1 8.384 0.000 . 1 . . . . . 27 SER H . 50119 1 118 . 1 . 1 27 27 SER C C 13 174.060 0.000 . 1 . . . . . 27 SER C . 50119 1 119 . 1 . 1 27 27 SER CB C 13 64.113 0.000 . 1 . . . . . 27 SER CB . 50119 1 120 . 1 . 1 27 27 SER N N 15 117.984 0.000 . 1 . . . . . 27 SER N . 50119 1 121 . 1 . 1 28 28 ALA H H 1 8.265 0.000 . 1 . . . . . 28 ALA H . 50119 1 122 . 1 . 1 28 28 ALA CA C 13 52.319 0.000 . 1 . . . . . 28 ALA CA . 50119 1 123 . 1 . 1 28 28 ALA CB C 13 19.287 0.000 . 1 . . . . . 28 ALA CB . 50119 1 124 . 1 . 1 28 28 ALA N N 15 125.996 0.000 . 1 . . . . . 28 ALA N . 50119 1 125 . 1 . 1 29 29 ALA H H 1 8.261 0.000 . 1 . . . . . 29 ALA H . 50119 1 126 . 1 . 1 29 29 ALA C C 13 175.515 0.000 . 1 . . . . . 29 ALA C . 50119 1 127 . 1 . 1 29 29 ALA CA C 13 50.498 0.000 . 1 . . . . . 29 ALA CA . 50119 1 128 . 1 . 1 29 29 ALA CB C 13 18.100 0.000 . 1 . . . . . 29 ALA CB . 50119 1 129 . 1 . 1 29 29 ALA N N 15 125.007 0.000 . 1 . . . . . 29 ALA N . 50119 1 130 . 1 . 1 30 30 PRO C C 13 176.942 0.000 . 1 . . . . . 30 PRO C . 50119 1 131 . 1 . 1 30 30 PRO CA C 13 63.151 0.000 . 1 . . . . . 30 PRO CA . 50119 1 132 . 1 . 1 30 30 PRO CB C 13 32.010 0.000 . 1 . . . . . 30 PRO CB . 50119 1 133 . 1 . 1 31 31 GLN H H 1 8.546 0.000 . 1 . . . . . 31 GLN H . 50119 1 134 . 1 . 1 31 31 GLN C C 13 175.845 0.000 . 1 . . . . . 31 GLN C . 50119 1 135 . 1 . 1 31 31 GLN CA C 13 55.609 0.000 . 1 . . . . . 31 GLN CA . 50119 1 136 . 1 . 1 31 31 GLN CB C 13 29.547 0.000 . 1 . . . . . 31 GLN CB . 50119 1 137 . 1 . 1 31 31 GLN N N 15 120.984 0.000 . 1 . . . . . 31 GLN N . 50119 1 138 . 1 . 1 32 32 ARG H H 1 8.431 0.000 . 1 . . . . . 32 ARG H . 50119 1 139 . 1 . 1 32 32 ARG C C 13 174.153 0.000 . 1 . . . . . 32 ARG C . 50119 1 140 . 1 . 1 32 32 ARG CA C 13 56.055 0.000 . 1 . . . . . 32 ARG CA . 50119 1 141 . 1 . 1 32 32 ARG CB C 13 30.058 0.000 . 1 . . . . . 32 ARG CB . 50119 1 142 . 1 . 1 32 32 ARG N N 15 123.755 0.000 . 1 . . . . . 32 ARG N . 50119 1 143 . 1 . 1 33 33 PRO C C 13 176.840 0.000 . 1 . . . . . 33 PRO C . 50119 1 144 . 1 . 1 33 33 PRO CA C 13 63.128 0.000 . 1 . . . . . 33 PRO CA . 50119 1 145 . 1 . 1 33 33 PRO CB C 13 31.965 0.000 . 1 . . . . . 33 PRO CB . 50119 1 146 . 1 . 1 34 34 ILE H H 1 8.371 0.000 . 1 . . . . . 34 ILE H . 50119 1 147 . 1 . 1 34 34 ILE C C 13 176.597 0.000 . 1 . . . . . 34 ILE C . 50119 1 148 . 1 . 1 34 34 ILE CA C 13 61.423 0.000 . 1 . . . . . 34 ILE CA . 50119 1 149 . 1 . 1 34 34 ILE CB C 13 38.851 0.000 . 1 . . . . . 34 ILE CB . 50119 1 150 . 1 . 1 34 34 ILE N N 15 121.522 0.000 . 1 . . . . . 34 ILE N . 50119 1 151 . 1 . 1 35 35 SER H H 1 8.463 0.000 . 1 . . . . . 35 SER H . 50119 1 152 . 1 . 1 35 35 SER C C 13 174.904 0.000 . 1 . . . . . 35 SER C . 50119 1 153 . 1 . 1 35 35 SER CA C 13 58.119 0.000 . 1 . . . . . 35 SER CA . 50119 1 154 . 1 . 1 35 35 SER CB C 13 64.032 0.000 . 1 . . . . . 35 SER CB . 50119 1 155 . 1 . 1 35 35 SER N N 15 119.691 0.000 . 1 . . . . . 35 SER N . 50119 1 156 . 1 . 1 36 36 THR H H 1 8.282 0.000 . 1 . . . . . 36 THR H . 50119 1 157 . 1 . 1 36 36 THR C C 13 174.573 0.000 . 1 . . . . . 36 THR C . 50119 1 158 . 1 . 1 36 36 THR CA C 13 62.178 0.000 . 1 . . . . . 36 THR CA . 50119 1 159 . 1 . 1 36 36 THR CB C 13 69.949 0.000 . 1 . . . . . 36 THR CB . 50119 1 160 . 1 . 1 36 36 THR N N 15 116.259 0.000 . 1 . . . . . 36 THR N . 50119 1 161 . 1 . 1 37 37 GLN H H 1 8.392 0.000 . 1 . . . . . 37 GLN H . 50119 1 162 . 1 . 1 37 37 GLN C C 13 175.949 0.000 . 1 . . . . . 37 GLN C . 50119 1 163 . 1 . 1 37 37 GLN CA C 13 56.100 0.000 . 1 . . . . . 37 GLN CA . 50119 1 164 . 1 . 1 37 37 GLN CB C 13 29.373 0.000 . 1 . . . . . 37 GLN CB . 50119 1 165 . 1 . 1 37 37 GLN N N 15 122.780 0.000 . 1 . . . . . 37 GLN N . 50119 1 166 . 1 . 1 38 38 ARG H H 1 8.732 0.000 . 1 . . . . . 38 ARG H . 50119 1 167 . 1 . 1 38 38 ARG C C 13 176.649 0.000 . 1 . . . . . 38 ARG C . 50119 1 168 . 1 . 1 38 38 ARG CA C 13 56.764 0.000 . 1 . . . . . 38 ARG CA . 50119 1 169 . 1 . 1 38 38 ARG CB C 13 30.151 0.000 . 1 . . . . . 38 ARG CB . 50119 1 170 . 1 . 1 38 38 ARG N N 15 122.641 0.000 . 1 . . . . . 38 ARG N . 50119 1 171 . 1 . 1 39 39 THR H H 1 8.245 0.000 . 1 . . . . . 39 THR H . 50119 1 172 . 1 . 1 39 39 THR C C 13 174.164 0.000 . 1 . . . . . 39 THR C . 50119 1 173 . 1 . 1 39 39 THR CA C 13 62.025 0.000 . 1 . . . . . 39 THR CA . 50119 1 174 . 1 . 1 39 39 THR CB C 13 70.192 0.000 . 1 . . . . . 39 THR CB . 50119 1 175 . 1 . 1 39 39 THR N N 15 116.003 0.000 . 1 . . . . . 39 THR N . 50119 1 176 . 1 . 1 40 40 ALA H H 1 8.396 0.000 . 1 . . . . . 40 ALA H . 50119 1 177 . 1 . 1 40 40 ALA C C 13 177.174 0.000 . 1 . . . . . 40 ALA C . 50119 1 178 . 1 . 1 40 40 ALA CA C 13 52.439 0.000 . 1 . . . . . 40 ALA CA . 50119 1 179 . 1 . 1 40 40 ALA CB C 13 19.278 0.000 . 1 . . . . . 40 ALA CB . 50119 1 180 . 1 . 1 40 40 ALA N N 15 126.918 0.000 . 1 . . . . . 40 ALA N . 50119 1 181 . 1 . 1 41 41 ALA H H 1 8.278 0.000 . 1 . . . . . 41 ALA H . 50119 1 182 . 1 . 1 41 41 ALA C C 13 177.069 0.000 . 1 . . . . . 41 ALA C . 50119 1 183 . 1 . 1 41 41 ALA CA C 13 52.130 0.000 . 1 . . . . . 41 ALA CA . 50119 1 184 . 1 . 1 41 41 ALA CB C 13 19.260 0.000 . 1 . . . . . 41 ALA CB . 50119 1 185 . 1 . 1 41 41 ALA N N 15 123.771 0.000 . 1 . . . . . 41 ALA N . 50119 1 186 . 1 . 1 42 42 ALA H H 1 8.301 0.000 . 1 . . . . . 42 ALA H . 50119 1 187 . 1 . 1 42 42 ALA C C 13 176.278 0.000 . 1 . . . . . 42 ALA C . 50119 1 188 . 1 . 1 42 42 ALA CA C 13 50.514 0.000 . 1 . . . . . 42 ALA CA . 50119 1 189 . 1 . 1 42 42 ALA CB C 13 18.190 0.000 . 1 . . . . . 42 ALA CB . 50119 1 190 . 1 . 1 42 42 ALA N N 15 125.165 0.000 . 1 . . . . . 42 ALA N . 50119 1 191 . 1 . 1 43 43 PRO C C 13 176.929 0.000 . 1 . . . . . 43 PRO C . 50119 1 192 . 1 . 1 43 43 PRO CA C 13 63.063 0.000 . 1 . . . . . 43 PRO CA . 50119 1 193 . 1 . 1 43 43 PRO CB C 13 32.026 0.000 . 1 . . . . . 43 PRO CB . 50119 1 194 . 1 . 1 44 44 LYS H H 1 8.463 0.000 . 1 . . . . . 44 LYS H . 50119 1 195 . 1 . 1 44 44 LYS C C 13 176.231 0.000 . 1 . . . . . 44 LYS C . 50119 1 196 . 1 . 1 44 44 LYS CA C 13 56.428 0.000 . 1 . . . . . 44 LYS CA . 50119 1 197 . 1 . 1 44 44 LYS CB C 13 32.978 0.000 . 1 . . . . . 44 LYS CB . 50119 1 198 . 1 . 1 44 44 LYS N N 15 121.949 0.000 . 1 . . . . . 44 LYS N . 50119 1 199 . 1 . 1 45 45 ALA H H 1 8.375 0.000 . 1 . . . . . 45 ALA H . 50119 1 200 . 1 . 1 45 45 ALA C C 13 177.667 0.000 . 1 . . . . . 45 ALA C . 50119 1 201 . 1 . 1 45 45 ALA CA C 13 52.321 0.000 . 1 . . . . . 45 ALA CA . 50119 1 202 . 1 . 1 45 45 ALA CB C 13 19.845 0.000 . 1 . . . . . 45 ALA CB . 50119 1 203 . 1 . 1 45 45 ALA N N 15 125.566 0.000 . 1 . . . . . 45 ALA N . 50119 1 204 . 1 . 1 46 46 GLY H H 1 8.278 0.000 . 1 . . . . . 46 GLY H . 50119 1 205 . 1 . 1 46 46 GLY C C 13 171.898 0.000 . 1 . . . . . 46 GLY C . 50119 1 206 . 1 . 1 46 46 GLY CA C 13 44.609 0.000 . 1 . . . . . 46 GLY CA . 50119 1 207 . 1 . 1 46 46 GLY N N 15 108.671 0.000 . 1 . . . . . 46 GLY N . 50119 1 208 . 1 . 1 47 47 PRO C C 13 177.824 0.000 . 1 . . . . . 47 PRO C . 50119 1 209 . 1 . 1 47 47 PRO CA C 13 63.733 0.000 . 1 . . . . . 47 PRO CA . 50119 1 210 . 1 . 1 47 47 PRO CB C 13 32.084 0.000 . 1 . . . . . 47 PRO CB . 50119 1 211 . 1 . 1 48 48 GLY H H 1 8.579 0.000 . 1 . . . . . 48 GLY H . 50119 1 212 . 1 . 1 48 48 GLY C C 13 173.995 0.000 . 1 . . . . . 48 GLY C . 50119 1 213 . 1 . 1 48 48 GLY CA C 13 45.275 0.000 . 1 . . . . . 48 GLY CA . 50119 1 214 . 1 . 1 48 48 GLY N N 15 109.548 0.000 . 1 . . . . . 48 GLY N . 50119 1 215 . 1 . 1 49 49 VAL H H 1 7.945 0.000 . 1 . . . . . 49 VAL H . 50119 1 216 . 1 . 1 49 49 VAL C C 13 176.125 0.000 . 1 . . . . . 49 VAL C . 50119 1 217 . 1 . 1 49 49 VAL CA C 13 62.503 0.000 . 1 . . . . . 49 VAL CA . 50119 1 218 . 1 . 1 49 49 VAL CB C 13 32.691 0.000 . 1 . . . . . 49 VAL CB . 50119 1 219 . 1 . 1 49 49 VAL N N 15 120.048 0.000 . 1 . . . . . 49 VAL N . 50119 1 220 . 1 . 1 50 50 VAL H H 1 8.327 0.000 . 1 . . . . . 50 VAL H . 50119 1 221 . 1 . 1 50 50 VAL C C 13 175.935 0.000 . 1 . . . . . 50 VAL C . 50119 1 222 . 1 . 1 50 50 VAL CA C 13 62.482 0.000 . 1 . . . . . 50 VAL CA . 50119 1 223 . 1 . 1 50 50 VAL CB C 13 32.646 0.000 . 1 . . . . . 50 VAL CB . 50119 1 224 . 1 . 1 50 50 VAL N N 15 125.370 0.000 . 1 . . . . . 50 VAL N . 50119 1 225 . 1 . 1 51 51 ARG H H 1 8.509 0.000 . 1 . . . . . 51 ARG H . 50119 1 226 . 1 . 1 51 51 ARG C C 13 175.882 0.000 . 1 . . . . . 51 ARG C . 50119 1 227 . 1 . 1 51 51 ARG CA C 13 55.561 0.000 . 1 . . . . . 51 ARG CA . 50119 1 228 . 1 . 1 51 51 ARG CB C 13 30.983 0.000 . 1 . . . . . 51 ARG CB . 50119 1 229 . 1 . 1 51 51 ARG N N 15 126.316 0.000 . 1 . . . . . 51 ARG N . 50119 1 230 . 1 . 1 52 52 LYS H H 1 8.507 0.000 . 1 . . . . . 52 LYS H . 50119 1 231 . 1 . 1 52 52 LYS C C 13 176.010 0.000 . 1 . . . . . 52 LYS C . 50119 1 232 . 1 . 1 52 52 LYS CA C 13 56.533 0.000 . 1 . . . . . 52 LYS CA . 50119 1 233 . 1 . 1 52 52 LYS CB C 13 33.127 0.000 . 1 . . . . . 52 LYS CB . 50119 1 234 . 1 . 1 52 52 LYS N N 15 123.742 0.000 . 1 . . . . . 52 LYS N . 50119 1 235 . 1 . 1 53 53 ASN N N 15 121.370 0.000 . 1 . . . . . 53 ASN H . 50119 1 236 . 1 . 1 53 53 ASN C C 13 173.349 0.000 . 1 . . . . . 53 ASN C . 50119 1 237 . 1 . 1 53 53 ASN CA C 13 51.442 0.000 . 1 . . . . . 53 ASN CA . 50119 1 238 . 1 . 1 53 53 ASN CB C 13 38.829 0.000 . 1 . . . . . 53 ASN CB . 50119 1 239 . 1 . 1 54 54 PRO C C 13 177.398 0.000 . 1 . . . . . 54 PRO C . 50119 1 240 . 1 . 1 54 54 PRO CA C 13 63.827 0.000 . 1 . . . . . 54 PRO CA . 50119 1 241 . 1 . 1 54 54 PRO CB C 13 32.098 0.000 . 1 . . . . . 54 PRO CB . 50119 1 242 . 1 . 1 55 55 GLY H H 1 8.493 0.000 . 1 . . . . . 55 GLY H . 50119 1 243 . 1 . 1 55 55 GLY C C 13 174.143 0.000 . 1 . . . . . 55 GLY C . 50119 1 244 . 1 . 1 55 55 GLY CA C 13 45.171 0.000 . 1 . . . . . 55 GLY CA . 50119 1 245 . 1 . 1 55 55 GLY N N 15 109.125 0.000 . 1 . . . . . 55 GLY N . 50119 1 246 . 1 . 1 56 56 VAL H H 1 8.030 0.000 . 1 . . . . . 56 VAL H . 50119 1 247 . 1 . 1 56 56 VAL C C 13 176.781 0.000 . 1 . . . . . 56 VAL C . 50119 1 248 . 1 . 1 56 56 VAL CA C 13 62.502 0.000 . 1 . . . . . 56 VAL CA . 50119 1 249 . 1 . 1 56 56 VAL CB C 13 32.684 0.000 . 1 . . . . . 56 VAL CB . 50119 1 250 . 1 . 1 56 56 VAL N N 15 118.972 0.000 . 1 . . . . . 56 VAL N . 50119 1 251 . 1 . 1 57 57 GLY H H 1 8.629 0.000 . 1 . . . . . 57 GLY H . 50119 1 252 . 1 . 1 57 57 GLY C C 13 174.107 0.000 . 1 . . . . . 57 GLY C . 50119 1 253 . 1 . 1 57 57 GLY CA C 13 45.171 0.000 . 1 . . . . . 57 GLY CA . 50119 1 254 . 1 . 1 57 57 GLY N N 15 112.616 0.000 . 1 . . . . . 57 GLY N . 50119 1 255 . 1 . 1 58 58 ASN H H 1 8.502 0.000 . 1 . . . . . 58 ASN H . 50119 1 256 . 1 . 1 58 58 ASN C C 13 175.798 0.000 . 1 . . . . . 58 ASN C . 50119 1 257 . 1 . 1 58 58 ASN CA C 13 53.131 0.000 . 1 . . . . . 58 ASN CA . 50119 1 258 . 1 . 1 58 58 ASN CB C 13 39.120 0.000 . 1 . . . . . 58 ASN CB . 50119 1 259 . 1 . 1 58 58 ASN N N 15 118.990 0.000 . 1 . . . . . 58 ASN N . 50119 1 260 . 1 . 1 59 59 GLY H H 1 8.571 0.000 . 1 . . . . . 59 GLY H . 50119 1 261 . 1 . 1 59 59 GLY C C 13 173.961 0.000 . 1 . . . . . 59 GLY C . 50119 1 262 . 1 . 1 59 59 GLY CA C 13 45.417 0.000 . 1 . . . . . 59 GLY CA . 50119 1 263 . 1 . 1 59 59 GLY N N 15 109.642 0.000 . 1 . . . . . 59 GLY N . 50119 1 264 . 1 . 1 60 60 ASP H H 1 8.330 0.000 . 1 . . . . . 60 ASP H . 50119 1 265 . 1 . 1 60 60 ASP C C 13 175.196 0.000 . 1 . . . . . 60 ASP C . 50119 1 266 . 1 . 1 60 60 ASP CB C 13 41.258 0.000 . 1 . . . . . 60 ASP CB . 50119 1 267 . 1 . 1 60 60 ASP N N 15 120.928 0.000 . 1 . . . . . 60 ASP N . 50119 1 268 . 1 . 1 61 61 ASP H H 1 8.003 0.000 . 1 . . . . . 61 ASP H . 50119 1 269 . 1 . 1 61 61 ASP C C 13 175.204 0.000 . 1 . . . . . 61 ASP C . 50119 1 270 . 1 . 1 61 61 ASP CA C 13 55.966 0.000 . 1 . . . . . 61 ASP CA . 50119 1 271 . 1 . 1 61 61 ASP CB C 13 42.147 0.000 . 1 . . . . . 61 ASP CB . 50119 1 272 . 1 . 1 61 61 ASP N N 15 125.539 0.000 . 1 . . . . . 61 ASP N . 50119 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 50119 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 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 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1.00 _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 '15N-(1H) NOE' . . . 50119 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 3 3 GLN N N 15 . 1 1 3 3 GLN H H 1 -0.817 0.000 . . . . . . . . . . 50119 1 2 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 -0.431 0.000 . . . . . . . . . . 50119 1 3 . 1 1 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 -0.303 0.000 . . . . . . . . . . 50119 1 4 . 1 1 7 7 VAL N N 15 . 1 1 7 7 VAL H H 1 -0.235 0.000 . . . . . . . . . . 50119 1 5 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 -0.159 0.000 . . . . . . . . . . 50119 1 6 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 -0.058 0.000 . . . . . . . . . . 50119 1 7 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.008 0.000 . . . . . . . . . . 50119 1 8 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 -0.068 0.000 . . . . . . . . . . 50119 1 9 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 -0.106 0.000 . . . . . . . . . . 50119 1 10 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 -0.093 0.000 . . . . . . . . . . 50119 1 11 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.006 0.000 . . . . . . . . . . 50119 1 12 . 1 1 17 17 ASN N N 15 . 1 1 17 17 ASN H H 1 -0.023 0.000 . . . . . . . . . . 50119 1 13 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.033 0.000 . . . . . . . . . . 50119 1 14 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.059 0.000 . . . . . . . . . . 50119 1 15 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.106 0.000 . . . . . . . . . . 50119 1 16 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.024 0.000 . . . . . . . . . . 50119 1 17 . 1 1 24 24 THR N N 15 . 1 1 24 24 THR H H 1 -0.000 0.000 . . . . . . . . . . 50119 1 18 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 -0.119 0.000 . . . . . . . . . . 50119 1 19 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 -0.112 0.000 . . . . . . . . . . 50119 1 20 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 -0.121 0.000 . . . . . . . . . . 50119 1 21 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 -0.128 0.000 . . . . . . . . . . 50119 1 22 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 -0.136 0.000 . . . . . . . . . . 50119 1 23 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.030 0.000 . . . . . . . . . . 50119 1 24 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.033 0.000 . . . . . . . . . . 50119 1 25 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.051 0.000 . . . . . . . . . . 50119 1 26 . 1 1 37 37 GLN N N 15 . 1 1 37 37 GLN H H 1 0.081 0.000 . . . . . . . . . . 50119 1 27 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 -0.019 0.000 . . . . . . . . . . 50119 1 28 . 1 1 41 41 ALA N N 15 . 1 1 41 41 ALA H H 1 -0.093 0.000 . . . . . . . . . . 50119 1 29 . 1 1 42 42 ALA N N 15 . 1 1 42 42 ALA H H 1 -0.077 0.000 . . . . . . . . . . 50119 1 30 . 1 1 44 44 LYS N N 15 . 1 1 44 44 LYS H H 1 -0.156 0.000 . . . . . . . . . . 50119 1 31 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 -0.134 0.000 . . . . . . . . . . 50119 1 32 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 -0.212 0.000 . . . . . . . . . . 50119 1 33 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 -0.092 0.000 . . . . . . . . . . 50119 1 34 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.039 0.000 . . . . . . . . . . 50119 1 35 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 -0.125 0.000 . . . . . . . . . . 50119 1 36 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.036 0.000 . . . . . . . . . . 50119 1 37 . 1 1 52 52 LYS N N 15 . 1 1 52 52 LYS H H 1 0.081 0.000 . . . . . . . . . . 50119 1 38 . 1 1 53 53 ASN N N 15 . 1 1 53 53 ASN H H 1 0.054 0.000 . . . . . . . . . . 50119 1 39 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 -0.107 0.000 . . . . . . . . . . 50119 1 40 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 -0.030 0.000 . . . . . . . . . . 50119 1 41 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 -0.195 0.000 . . . . . . . . . . 50119 1 42 . 1 1 58 58 ASN N N 15 . 1 1 58 58 ASN H H 1 -0.295 0.000 . . . . . . . . . . 50119 1 43 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 -0.496 0.000 . . . . . . . . . . 50119 1 44 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 -0.908 0.000 . . . . . . . . . . 50119 1 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 50119 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 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 800 _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 7 '15N R1' . . . 50119 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 5 5 THR N N 15 1.180 0.018 . . . . . 50119 1 2 . 1 1 6 6 ALA N N 15 1.217 0.013 . . . . . 50119 1 3 . 1 1 7 7 VAL N N 15 1.145 0.003 . . . . . 50119 1 4 . 1 1 8 8 ALA N N 15 1.246 0.003 . . . . . 50119 1 5 . 1 1 10 10 SER N N 15 1.291 0.022 . . . . . 50119 1 6 . 1 1 11 11 LEU N N 15 1.370 0.042 . . . . . 50119 1 7 . 1 1 12 12 VAL N N 15 1.289 0.004 . . . . . 50119 1 8 . 1 1 13 13 ALA N N 15 1.303 0.003 . . . . . 50119 1 9 . 1 1 15 15 ALA N N 15 1.296 0.017 . . . . . 50119 1 10 . 1 1 16 16 LEU N N 15 1.305 0.009 . . . . . 50119 1 11 . 1 1 17 17 ASN N N 15 1.306 0.063 . . . . . 50119 1 12 . 1 1 18 18 LYS N N 15 1.330 0.044 . . . . . 50119 1 13 . 1 1 20 20 LYS N N 15 1.422 0.024 . . . . . 50119 1 14 . 1 1 21 21 LYS N N 15 1.441 0.011 . . . . . 50119 1 15 . 1 1 23 23 LEU N N 15 1.385 0.040 . . . . . 50119 1 16 . 1 1 24 24 THR N N 15 1.323 0.040 . . . . . 50119 1 17 . 1 1 26 26 SER N N 15 1.146 0.015 . . . . . 50119 1 18 . 1 1 27 27 SER N N 15 1.149 0.037 . . . . . 50119 1 19 . 1 1 28 28 ALA N N 15 1.213 0.042 . . . . . 50119 1 20 . 1 1 29 29 ALA N N 15 1.169 0.017 . . . . . 50119 1 21 . 1 1 31 31 GLN N N 15 1.292 0.024 . . . . . 50119 1 22 . 1 1 32 32 ARG N N 15 1.367 0.027 . . . . . 50119 1 23 . 1 1 34 34 ILE N N 15 1.390 0.003 . . . . . 50119 1 24 . 1 1 35 35 SER N N 15 1.389 0.028 . . . . . 50119 1 25 . 1 1 36 36 THR N N 15 1.306 0.056 . . . . . 50119 1 26 . 1 1 37 37 GLN N N 15 1.418 0.040 . . . . . 50119 1 27 . 1 1 39 39 THR N N 15 1.309 0.057 . . . . . 50119 1 28 . 1 1 40 40 ALA N N 15 1.295 0.020 . . . . . 50119 1 29 . 1 1 41 41 ALA N N 15 1.198 0.030 . . . . . 50119 1 30 . 1 1 42 42 ALA N N 15 1.169 0.010 . . . . . 50119 1 31 . 1 1 44 44 LYS N N 15 1.287 0.024 . . . . . 50119 1 32 . 1 1 45 45 ALA N N 15 1.279 0.029 . . . . . 50119 1 33 . 1 1 46 46 GLY N N 15 1.116 0.018 . . . . . 50119 1 34 . 1 1 48 48 GLY N N 15 1.227 0.048 . . . . . 50119 1 35 . 1 1 49 49 VAL N N 15 1.338 0.009 . . . . . 50119 1 36 . 1 1 50 50 VAL N N 15 1.338 0.003 . . . . . 50119 1 37 . 1 1 51 51 ARG N N 15 1.446 0.029 . . . . . 50119 1 38 . 1 1 52 52 LYS N N 15 1.463 0.037 . . . . . 50119 1 39 . 1 1 53 53 ASN N N 15 1.399 0.037 . . . . . 50119 1 40 . 1 1 55 55 GLY N N 15 1.374 0.030 . . . . . 50119 1 41 . 1 1 56 56 VAL N N 15 1.322 0.012 . . . . . 50119 1 42 . 1 1 57 57 GLY N N 15 1.275 0.026 . . . . . 50119 1 43 . 1 1 58 58 ASN N N 15 1.201 0.041 . . . . . 50119 1 44 . 1 1 59 59 GLY N N 15 1.103 0.039 . . . . . 50119 1 45 . 1 1 61 61 ASP N N 15 0.836 0.012 . . . . . 50119 1 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 50119 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 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 800 _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 8 '15N R2' . . . 50119 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 3 3 GLN N N 15 1.636 0.013 . . . . . . . 50119 1 2 . 1 1 4 4 GLU N N 15 1.449 0.014 . . . . . . . 50119 1 3 . 1 1 5 5 THR N N 15 1.710 0.019 . . . . . . . 50119 1 4 . 1 1 6 6 ALA N N 15 1.524 0.036 . . . . . . . 50119 1 5 . 1 1 7 7 VAL N N 15 1.660 0.025 . . . . . . . 50119 1 6 . 1 1 8 8 ALA N N 15 1.777 0.050 . . . . . . . 50119 1 7 . 1 1 10 10 SER N N 15 2.236 0.028 . . . . . . . 50119 1 8 . 1 1 11 11 LEU N N 15 2.161 0.035 . . . . . . . 50119 1 9 . 1 1 12 12 VAL N N 15 2.015 0.035 . . . . . . . 50119 1 10 . 1 1 13 13 ALA N N 15 2.098 0.061 . . . . . . . 50119 1 11 . 1 1 15 15 ALA N N 15 2.286 0.046 . . . . . . . 50119 1 12 . 1 1 16 16 LEU N N 15 2.235 0.039 . . . . . . . 50119 1 13 . 1 1 17 17 ASN N N 15 2.442 0.044 . . . . . . . 50119 1 14 . 1 1 18 18 LYS N N 15 2.408 0.043 . . . . . . . 50119 1 15 . 1 1 20 20 LYS N N 15 2.558 0.082 . . . . . . . 50119 1 16 . 1 1 21 21 LYS N N 15 2.572 0.040 . . . . . . . 50119 1 17 . 1 1 23 23 LEU N N 15 2.519 0.046 . . . . . . . 50119 1 18 . 1 1 24 24 THR N N 15 2.443 0.051 . . . . . . . 50119 1 19 . 1 1 26 26 SER N N 15 2.949 0.135 . . . . . . . 50119 1 20 . 1 1 27 27 SER N N 15 2.514 0.086 . . . . . . . 50119 1 21 . 1 1 28 28 ALA N N 15 2.056 0.033 . . . . . . . 50119 1 22 . 1 1 29 29 ALA N N 15 2.088 0.021 . . . . . . . 50119 1 23 . 1 1 31 31 GLN N N 15 2.234 0.046 . . . . . . . 50119 1 24 . 1 1 32 32 ARG N N 15 2.525 0.040 . . . . . . . 50119 1 25 . 1 1 34 34 ILE N N 15 2.447 0.035 . . . . . . . 50119 1 26 . 1 1 35 35 SER N N 15 2.888 0.056 . . . . . . . 50119 1 27 . 1 1 36 36 THR N N 15 2.979 0.051 . . . . . . . 50119 1 28 . 1 1 37 37 GLN N N 15 2.533 0.094 . . . . . . . 50119 1 29 . 1 1 39 39 THR N N 15 2.659 0.048 . . . . . . . 50119 1 30 . 1 1 40 40 ALA N N 15 2.089 0.071 . . . . . . . 50119 1 31 . 1 1 41 41 ALA N N 15 2.003 0.034 . . . . . . . 50119 1 32 . 1 1 42 42 ALA N N 15 1.951 0.039 . . . . . . . 50119 1 33 . 1 1 44 44 LYS N N 15 1.907 0.047 . . . . . . . 50119 1 34 . 1 1 45 45 ALA N N 15 1.934 0.034 . . . . . . . 50119 1 35 . 1 1 46 46 GLY N N 15 1.732 0.015 . . . . . . . 50119 1 36 . 1 1 48 48 GLY N N 15 1.860 0.049 . . . . . . . 50119 1 37 . 1 1 49 49 VAL N N 15 2.037 0.019 . . . . . . . 50119 1 38 . 1 1 50 50 VAL N N 15 2.130 0.017 . . . . . . . 50119 1 39 . 1 1 51 51 ARG N N 15 2.181 0.031 . . . . . . . 50119 1 40 . 1 1 52 52 LYS N N 15 2.420 0.038 . . . . . . . 50119 1 41 . 1 1 53 53 ASN N N 15 2.417 0.028 . . . . . . . 50119 1 42 . 1 1 55 55 GLY N N 15 1.838 0.057 . . . . . . . 50119 1 43 . 1 1 56 56 VAL N N 15 1.675 0.029 . . . . . . . 50119 1 44 . 1 1 57 57 GLY N N 15 1.790 0.035 . . . . . . . 50119 1 45 . 1 1 58 58 ASN N N 15 1.590 0.025 . . . . . . . 50119 1 46 . 1 1 59 59 GLY N N 15 1.221 0.034 . . . . . . . 50119 1 47 . 1 1 61 61 ASP N N 15 0.968 0.009 . . . . . . . 50119 1 stop_ save_