data_25131 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25131 _Entry.Title ; 1H chemical shift assignment of Kindlin-2 F2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-05 _Entry.Accession_date 2014-08-05 _Entry.Last_release_date 2014-08-25 _Entry.Original_release_date 2014-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Koichi Fukuda . . . 25131 2 Kamila Bledzka . . . 25131 3 Jun Yang . . . 25131 4 H. Perera . D. . 25131 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25131 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'focal adhesion' . 25131 ILK . 25131 integrin . 25131 kindlin . 25131 NMR . 25131 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25131 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 112 25131 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-08-25 2014-08-05 original author . 25131 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MSU 'BMRB Entry Tracking System' 25131 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25131 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'kindlin-2 F2 domain' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _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.Entry_ID _Citation_author.Citation_ID 1 Koichi Fukuda . . . 25131 1 2 Kamila Bledzka . . . 25131 1 3 Jun Yang . . . 25131 1 4 H. Perera . D. . 25131 1 5 Plow Edward . F. . 25131 1 6 Jun Qin . . . 25131 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25131 _Assembly.ID 1 _Assembly.Name 'Kindlin-2 F2' _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 'Kindlin-2 F2' 1 $entity A . yes native no no . . . 25131 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25131 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code SDKEVDEVDAALSDLEITLE _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2192.330 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MSU . "Nmr Structure Of Kindlin-2 F2 339-358" . . . . . 100.00 20 100.00 100.00 4.75e-02 . . . . 25131 1 2 no PDB 4F7H . "The Crystal Structure Of Kindlin-2 Pleckstrin Homology Domain In Free Form" . . . . . 100.00 173 100.00 100.00 1.93e-01 . . . . 25131 1 3 no DBJ BAE26194 . "unnamed protein product [Mus musculus]" . . . . . 100.00 680 100.00 100.00 1.31e-01 . . . . 25131 1 4 no DBJ BAE38850 . "unnamed protein product [Mus musculus]" . . . . . 100.00 680 100.00 100.00 2.20e-01 . . . . 25131 1 5 no DBJ BAF84427 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 680 100.00 100.00 2.20e-01 . . . . 25131 1 6 no EMBL CAA80852 . "mitogen inducible gene mig-2 [Homo sapiens]" . . . . . 100.00 720 100.00 100.00 1.12e-01 . . . . 25131 1 7 no EMBL CAD61925 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 1.48e-01 . . . . 25131 1 8 no GB AAH17327 . "Fermitin family homolog 2 (Drosophila) [Homo sapiens]" . . . . . 100.00 680 100.00 100.00 2.20e-01 . . . . 25131 1 9 no GB AAH33436 . "Fermitin family homolog 2 (Drosophila) [Mus musculus]" . . . . . 100.00 680 100.00 100.00 2.20e-01 . . . . 25131 1 10 no GB AAH77819 . "Plekhc1-prov protein [Xenopus laevis]" . . . . . 100.00 687 100.00 100.00 1.48e-01 . . . . 25131 1 11 no GB AAH83876 . "Fermitin family homolog 2 (Drosophila) [Rattus norvegicus]" . . . . . 100.00 680 100.00 100.00 2.08e-01 . . . . 25131 1 12 no GB AAI51293 . "FERMT2 protein [Bos taurus]" . . . . . 100.00 680 100.00 100.00 2.12e-01 . . . . 25131 1 13 no REF NP_001011915 . "fermitin family homolog 2 [Rattus norvegicus]" . . . . . 100.00 680 100.00 100.00 2.08e-01 . . . . 25131 1 14 no REF NP_001086955 . "fermitin family member 2 [Xenopus laevis]" . . . . . 100.00 687 100.00 100.00 1.48e-01 . . . . 25131 1 15 no REF NP_001094734 . "fermitin family homolog 2 [Bos taurus]" . . . . . 100.00 680 100.00 100.00 2.12e-01 . . . . 25131 1 16 no REF NP_001128471 . "fermitin family homolog 2 isoform 2 [Homo sapiens]" . . . . . 100.00 687 100.00 100.00 1.95e-01 . . . . 25131 1 17 no REF NP_001128472 . "fermitin family homolog 2 isoform 3 [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 1.48e-01 . . . . 25131 1 18 no SP Q8CIB5 . "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Pleckstrin homology domain-containing family C " . . . . . 100.00 680 100.00 100.00 2.20e-01 . . . . 25131 1 19 no SP Q96AC1 . "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Mitogen-inducible gene 2 protein; Short=MIG-2; " . . . . . 100.00 680 100.00 100.00 2.20e-01 . . . . 25131 1 20 no TPG DAA25234 . "TPA: fermitin family homolog 2 [Bos taurus]" . . . . . 100.00 680 100.00 100.00 2.12e-01 . . . . 25131 1 stop_ 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 1 339 SER . 25131 1 2 340 ASP . 25131 1 3 341 LYS . 25131 1 4 342 GLU . 25131 1 5 343 VAL . 25131 1 6 344 ASP . 25131 1 7 345 GLU . 25131 1 8 346 VAL . 25131 1 9 347 ASP . 25131 1 10 348 ALA . 25131 1 11 349 ALA . 25131 1 12 350 LEU . 25131 1 13 351 SER . 25131 1 14 352 ASP . 25131 1 15 353 LEU . 25131 1 16 354 GLU . 25131 1 17 355 ILE . 25131 1 18 356 THR . 25131 1 19 357 LEU . 25131 1 20 358 GLU . 25131 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 . SER 1 1 25131 1 . ASP 2 2 25131 1 . LYS 3 3 25131 1 . GLU 4 4 25131 1 . VAL 5 5 25131 1 . ASP 6 6 25131 1 . GLU 7 7 25131 1 . VAL 8 8 25131 1 . ASP 9 9 25131 1 . ALA 10 10 25131 1 . ALA 11 11 25131 1 . LEU 12 12 25131 1 . SER 13 13 25131 1 . ASP 14 14 25131 1 . LEU 15 15 25131 1 . GLU 16 16 25131 1 . ILE 17 17 25131 1 . THR 18 18 25131 1 . LEU 19 19 25131 1 . GLU 20 20 25131 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25131 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25131 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25131 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . . . . 25131 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25131 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25131 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25131 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25131 1 4 'K2F2 peptide' 'natural abundance' . . 1 $entity . . 2 . . mM . . . . 25131 1 5 'ILK KLD/a-parvin CH2' 'natural abundance' . . . . . . 50 . . uM . . . . 25131 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25131 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25131 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 25131 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 273 . K 25131 1 pH 6.8 . pH 25131 1 pressure 1 . atm 25131 1 'ionic strength' 100 . mM 25131 1 stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 25131 _Software.ID 1 _Software.Name XPLOR-NIH _Software.Version 2.25 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25131 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25131 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25131 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25131 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 25131 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25131 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25131 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25131 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25131 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25131 _Assigned_chem_shift_list.ID 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 $chemical_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 NOESY' . . . 25131 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XPLOR-NIH . . 25131 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 2 2 ASP HA H 1 4.362 0.03 . 1 . . . A 340 ASP HA . 25131 1 2 . 1 1 2 2 ASP HB2 H 1 2.455 0.03 . 1 . . . A 340 ASP HB2 . 25131 1 3 . 1 1 2 2 ASP HB3 H 1 2.330 0.03 . 1 . . . A 340 ASP HB3 . 25131 1 4 . 1 1 3 3 LYS H H 1 8.118 0.03 . 1 . . . A 341 LYS H . 25131 1 5 . 1 1 3 3 LYS HA H 1 4.009 0.03 . 1 . . . A 341 LYS HA . 25131 1 6 . 1 1 3 3 LYS HB2 H 1 1.533 0.03 . 1 . . . A 341 LYS HB2 . 25131 1 7 . 1 1 3 3 LYS HG2 H 1 1.148 0.03 . 1 . . . A 341 LYS HG2 . 25131 1 8 . 1 1 3 3 LYS HD2 H 1 1.394 0.03 . 1 . . . A 341 LYS HD2 . 25131 1 9 . 1 1 3 3 LYS HE2 H 1 2.712 0.03 . 1 . . . A 341 LYS HE2 . 25131 1 10 . 1 1 4 4 GLU H H 1 8.297 0.03 . 1 . . . A 342 GLU H . 25131 1 11 . 1 1 4 4 GLU HA H 1 3.995 0.03 . 1 . . . A 342 GLU HA . 25131 1 12 . 1 1 4 4 GLU HB2 H 1 1.770 0.03 . 1 . . . A 342 GLU HB2 . 25131 1 13 . 1 1 4 4 GLU HB3 H 1 1.656 0.03 . 1 . . . A 342 GLU HB3 . 25131 1 14 . 1 1 4 4 GLU HG2 H 1 2.023 0.03 . 1 . . . A 342 GLU HG2 . 25131 1 15 . 1 1 4 4 GLU HG3 H 1 1.988 0.03 . 1 . . . A 342 GLU HG3 . 25131 1 16 . 1 1 5 5 VAL H H 1 7.982 0.03 . 1 . . . A 343 VAL H . 25131 1 17 . 1 1 5 5 VAL HA H 1 3.806 0.03 . 1 . . . A 343 VAL HA . 25131 1 18 . 1 1 5 5 VAL HB H 1 1.785 0.03 . 1 . . . A 343 VAL HB . 25131 1 19 . 1 1 5 5 VAL HG11 H 1 0.650 0.03 . 1 . . . A 343 VAL HG11 . 25131 1 20 . 1 1 5 5 VAL HG12 H 1 0.650 0.03 . 1 . . . A 343 VAL HG12 . 25131 1 21 . 1 1 5 5 VAL HG13 H 1 0.650 0.03 . 1 . . . A 343 VAL HG13 . 25131 1 22 . 1 1 6 6 ASP H H 1 8.220 0.03 . 1 . . . A 344 ASP H . 25131 1 23 . 1 1 6 6 ASP HA H 1 4.316 0.03 . 1 . . . A 344 ASP HA . 25131 1 24 . 1 1 6 6 ASP HB2 H 1 2.432 0.03 . 1 . . . A 344 ASP HB2 . 25131 1 25 . 1 1 6 6 ASP HB3 H 1 2.295 0.03 . 1 . . . A 344 ASP HB3 . 25131 1 26 . 1 1 7 7 GLU H H 1 8.146 0.03 . 1 . . . A 345 GLU H . 25131 1 27 . 1 1 7 7 GLU HA H 1 3.997 0.03 . 1 . . . A 345 GLU HA . 25131 1 28 . 1 1 7 7 GLU HB2 H 1 1.764 0.03 . 1 . . . A 345 GLU HB2 . 25131 1 29 . 1 1 7 7 GLU HB3 H 1 1.657 0.03 . 1 . . . A 345 GLU HB3 . 25131 1 30 . 1 1 7 7 GLU HG2 H 1 2.011 0.03 . 1 . . . A 345 GLU HG2 . 25131 1 31 . 1 1 7 7 GLU HG3 H 1 1.949 0.03 . 1 . . . A 345 GLU HG3 . 25131 1 32 . 1 1 8 8 VAL H H 1 8.041 0.03 . 1 . . . A 346 VAL H . 25131 1 33 . 1 1 8 8 VAL HA H 1 3.754 0.03 . 1 . . . A 346 VAL HA . 25131 1 34 . 1 1 8 8 VAL HB H 1 1.783 0.03 . 1 . . . A 346 VAL HB . 25131 1 35 . 1 1 8 8 VAL HG11 H 1 0.643 0.03 . 1 . . . A 346 VAL HG11 . 25131 1 36 . 1 1 8 8 VAL HG12 H 1 0.643 0.03 . 1 . . . A 346 VAL HG12 . 25131 1 37 . 1 1 8 8 VAL HG13 H 1 0.643 0.03 . 1 . . . A 346 VAL HG13 . 25131 1 38 . 1 1 9 9 ASP H H 1 8.226 0.03 . 1 . . . A 347 ASP H . 25131 1 39 . 1 1 9 9 ASP HA H 1 4.272 0.03 . 1 . . . A 347 ASP HA . 25131 1 40 . 1 1 9 9 ASP HB2 H 1 2.450 0.03 . 1 . . . A 347 ASP HB2 . 25131 1 41 . 1 1 9 9 ASP HB3 H 1 2.309 0.03 . 1 . . . A 347 ASP HB3 . 25131 1 42 . 1 1 10 10 ALA H H 1 8.154 0.03 . 1 . . . A 348 ALA H . 25131 1 43 . 1 1 10 10 ALA HA H 1 3.930 0.03 . 1 . . . A 348 ALA HA . 25131 1 44 . 1 1 10 10 ALA HB1 H 1 1.114 0.03 . 1 . . . A 348 ALA HB1 . 25131 1 45 . 1 1 10 10 ALA HB2 H 1 1.114 0.03 . 1 . . . A 348 ALA HB2 . 25131 1 46 . 1 1 10 10 ALA HB3 H 1 1.114 0.03 . 1 . . . A 348 ALA HB3 . 25131 1 47 . 1 1 11 11 ALA H H 1 8.088 0.03 . 1 . . . A 349 ALA H . 25131 1 48 . 1 1 11 11 ALA HA H 1 3.980 0.03 . 1 . . . A 349 ALA HA . 25131 1 49 . 1 1 11 11 ALA HB1 H 1 1.113 0.03 . 1 . . . A 349 ALA HB1 . 25131 1 50 . 1 1 11 11 ALA HB2 H 1 1.113 0.03 . 1 . . . A 349 ALA HB2 . 25131 1 51 . 1 1 11 11 ALA HB3 H 1 1.113 0.03 . 1 . . . A 349 ALA HB3 . 25131 1 52 . 1 1 12 12 LEU H H 1 7.854 0.03 . 1 . . . A 350 LEU H . 25131 1 53 . 1 1 12 12 LEU HA H 1 4.050 0.03 . 1 . . . A 350 LEU HA . 25131 1 54 . 1 1 12 12 LEU HB2 H 1 1.416 0.03 . 1 . . . A 350 LEU HB2 . 25131 1 55 . 1 1 12 12 LEU HG H 1 1.316 0.03 . 1 . . . A 350 LEU HG . 25131 1 56 . 1 1 12 12 LEU HD11 H 1 0.663 0.03 . 1 . . . A 350 LEU HD11 . 25131 1 57 . 1 1 12 12 LEU HD12 H 1 0.663 0.03 . 1 . . . A 350 LEU HD12 . 25131 1 58 . 1 1 12 12 LEU HD13 H 1 0.663 0.03 . 1 . . . A 350 LEU HD13 . 25131 1 59 . 1 1 12 12 LEU HD21 H 1 0.590 0.03 . 1 . . . A 350 LEU HD21 . 25131 1 60 . 1 1 12 12 LEU HD22 H 1 0.590 0.03 . 1 . . . A 350 LEU HD22 . 25131 1 61 . 1 1 12 12 LEU HD23 H 1 0.590 0.03 . 1 . . . A 350 LEU HD23 . 25131 1 62 . 1 1 13 13 SER H H 1 7.983 0.03 . 1 . . . A 351 SER H . 25131 1 63 . 1 1 13 13 SER HA H 1 4.130 0.03 . 1 . . . A 351 SER HA . 25131 1 64 . 1 1 13 13 SER HB2 H 1 3.586 0.03 . 1 . . . A 351 SER HB2 . 25131 1 65 . 1 1 14 14 ASP H H 1 8.123 0.03 . 1 . . . A 352 ASP H . 25131 1 66 . 1 1 14 14 ASP HA H 1 4.318 0.03 . 1 . . . A 352 ASP HA . 25131 1 67 . 1 1 14 14 ASP HB2 H 1 2.441 0.03 . 1 . . . A 352 ASP HB2 . 25131 1 68 . 1 1 14 14 ASP HB3 H 1 2.348 0.03 . 1 . . . A 352 ASP HB3 . 25131 1 69 . 1 1 15 15 LEU H H 1 7.822 0.03 . 1 . . . A 353 LEU H . 25131 1 70 . 1 1 15 15 LEU HA H 1 4.012 0.03 . 1 . . . A 353 LEU HA . 25131 1 71 . 1 1 15 15 LEU HB2 H 1 1.360 0.03 . 1 . . . A 353 LEU HB2 . 25131 1 72 . 1 1 15 15 LEU HG H 1 1.288 0.03 . 1 . . . A 353 LEU HG . 25131 1 73 . 1 1 15 15 LEU HD11 H 1 0.648 0.03 . 1 . . . A 353 LEU HD11 . 25131 1 74 . 1 1 15 15 LEU HD12 H 1 0.648 0.03 . 1 . . . A 353 LEU HD12 . 25131 1 75 . 1 1 15 15 LEU HD13 H 1 0.648 0.03 . 1 . . . A 353 LEU HD13 . 25131 1 76 . 1 1 15 15 LEU HD21 H 1 0.584 0.03 . 1 . . . A 353 LEU HD21 . 25131 1 77 . 1 1 15 15 LEU HD22 H 1 0.584 0.03 . 1 . . . A 353 LEU HD22 . 25131 1 78 . 1 1 15 15 LEU HD23 H 1 0.584 0.03 . 1 . . . A 353 LEU HD23 . 25131 1 79 . 1 1 16 16 GLU H H 1 8.118 0.03 . 1 . . . A 354 GLU H . 25131 1 80 . 1 1 16 16 GLU HA H 1 3.993 0.03 . 1 . . . A 354 GLU HA . 25131 1 81 . 1 1 16 16 GLU HB2 H 1 1.745 0.03 . 1 . . . A 354 GLU HB2 . 25131 1 82 . 1 1 16 16 GLU HB3 H 1 1.659 0.03 . 1 . . . A 354 GLU HB3 . 25131 1 83 . 1 1 16 16 GLU HG2 H 1 1.988 0.03 . 1 . . . A 354 GLU HG2 . 25131 1 84 . 1 1 16 16 GLU HG3 H 1 1.910 0.03 . 1 . . . A 354 GLU HG3 . 25131 1 85 . 1 1 17 17 ILE H H 1 7.989 0.03 . 1 . . . A 355 ILE H . 25131 1 86 . 1 1 17 17 ILE HA H 1 3.931 0.03 . 1 . . . A 355 ILE HA . 25131 1 87 . 1 1 17 17 ILE HB H 1 1.570 0.03 . 1 . . . A 355 ILE HB . 25131 1 88 . 1 1 17 17 ILE HG12 H 1 1.200 0.03 . 1 . . . A 355 ILE HG12 . 25131 1 89 . 1 1 17 17 ILE HG21 H 1 0.603 0.03 . 1 . . . A 355 ILE HG21 . 25131 1 90 . 1 1 17 17 ILE HG22 H 1 0.603 0.03 . 1 . . . A 355 ILE HG22 . 25131 1 91 . 1 1 17 17 ILE HG23 H 1 0.603 0.03 . 1 . . . A 355 ILE HG23 . 25131 1 92 . 1 1 17 17 ILE HD11 H 1 0.895 0.03 . 1 . . . A 355 ILE HD11 . 25131 1 93 . 1 1 17 17 ILE HD12 H 1 0.895 0.03 . 1 . . . A 355 ILE HD12 . 25131 1 94 . 1 1 17 17 ILE HD13 H 1 0.895 0.03 . 1 . . . A 355 ILE HD13 . 25131 1 95 . 1 1 18 18 THR H H 1 8.187 0.03 . 1 . . . A 356 THR H . 25131 1 96 . 1 1 18 18 THR HA H 1 4.070 0.03 . 1 . . . A 356 THR HA . 25131 1 97 . 1 1 18 18 THR HB H 1 3.860 0.03 . 1 . . . A 356 THR HB . 25131 1 98 . 1 1 18 18 THR HG21 H 1 0.910 0.03 . 1 . . . A 356 THR HG21 . 25131 1 99 . 1 1 18 18 THR HG22 H 1 0.910 0.03 . 1 . . . A 356 THR HG22 . 25131 1 100 . 1 1 18 18 THR HG23 H 1 0.910 0.03 . 1 . . . A 356 THR HG23 . 25131 1 101 . 1 1 19 19 LEU H H 1 8.274 0.03 . 1 . . . A 357 LEU H . 25131 1 102 . 1 1 19 19 LEU HA H 1 4.115 0.03 . 1 . . . A 357 LEU HA . 25131 1 103 . 1 1 19 19 LEU HB2 H 1 1.370 0.03 . 1 . . . A 357 LEU HB2 . 25131 1 104 . 1 1 19 19 LEU HG H 1 1.330 0.03 . 1 . . . A 357 LEU HG . 25131 1 105 . 1 1 19 19 LEU HD11 H 1 0.577 0.03 . 1 . . . A 357 LEU HD11 . 25131 1 106 . 1 1 19 19 LEU HD12 H 1 0.577 0.03 . 1 . . . A 357 LEU HD12 . 25131 1 107 . 1 1 19 19 LEU HD13 H 1 0.577 0.03 . 1 . . . A 357 LEU HD13 . 25131 1 108 . 1 1 20 20 GLU H H 1 7.770 0.03 . 1 . . . A 358 GLU H . 25131 1 109 . 1 1 20 20 GLU HA H 1 3.815 0.03 . 1 . . . A 358 GLU HA . 25131 1 110 . 1 1 20 20 GLU HB2 H 1 1.745 0.03 . 1 . . . A 358 GLU HB2 . 25131 1 111 . 1 1 20 20 GLU HB3 H 1 1.590 0.03 . 1 . . . A 358 GLU HB3 . 25131 1 112 . 1 1 20 20 GLU HG2 H 1 1.908 0.03 . 1 . . . A 358 GLU HG2 . 25131 1 stop_ save_