data_54020 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 54020 _Entry.Title ; Chemical shifts of Tubulin beta-4 (TBB-4) C-terminal tail from C. elegans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-09-18 _Entry.Accession_date 2026-09-18 _Entry.Last_release_date 2026-09-18 _Entry.Original_release_date 2026-09-18 _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 Allison Whited . M. . . 54020 2 Patrick DeLear . . . . 54020 3 Ezekiel Thomas . C. . . 54020 4 Jeffre Allen . . . . 54020 5 Genesis Ferrer-Imbert . . . . 54020 6 Nirbhik Acharya . . . 0000-0003-4591-5215 54020 7 Carlos Castaneda . A. . 0000-0001-9634-0867 54020 8 David Sept . . . . 54020 9 Jeffrey Moore . K. . . 54020 10 Loren Hough . . . 0000-0002-1104-0126 54020 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 54020 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 83 54020 '15N chemical shifts' 28 54020 '1H chemical shifts' 28 54020 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 . . 2026-10-20 . original BMRB . 54020 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 54016 'Chemical shifts of Tubulin alpha C-terminal tail from T. thermophila' 54020 BMRB 54017 'Chemical shifts of TUBB C-terminal tail from H. sapiens' 54020 BMRB 54018 'Chemical shifts of Tubulin beta BTU1 C-terminal tail from T. thermophila' 54020 BMRB 54019 'Chemical shifts of Tubulin beta-1 (MEC-7) C-terminal tail from C. elegans' 54020 BMRB 54021 'Chemical shifts of TUBB3 C-terminal tail from H. sapiens' 54020 BMRB 54022 'Chemical shifts of Tubulin alpha-1 (Tub1p) C-terminal tail from S. cerevisiae' 54020 BMRB 54023 'Chemical shifts of Tubulin beta (Tub2p) C-terminal tail from S. cerevisiae' 54020 BMRB 54024 'Chemical shifts of TUBA1A C-terminal tail from H. sapiens' 54020 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 54020 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Tubulin C-terminal tails are pH sensors that regulate microtubule function ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 Allison Whited . M. . . 54020 1 2 Patrick DeLear . . . . 54020 1 3 Ezekiel Thomas . C. . . 54020 1 4 Jeffre Allen . . . . 54020 1 5 Genesis Ferrer-Imbert . . . . 54020 1 6 Nirbhik Acharya . . . . 54020 1 7 Carlos Castaneda . A. . . 54020 1 8 David Sept . . . . 54020 1 9 Jeffrey Moore . K. . . 54020 1 10 Loren Hough . . . . 54020 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 54020 _Assembly.ID 1 _Assembly.Name 'TBB-4 C-terminal tail' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 3449 _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 'TBB-4 C-terminal tail' 1 $entity_1 . . yes native no no . . . 54020 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 54020 _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 ; GSDLVSEYQQYQEATADDEG EFDEHDQDVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 417, D 418, L 419, V 420, S 421, E 422, Y 423, Q 424, Q 425, Y 426, Q 427, E 428, A 429, T 430, A 431, D 432, D 433, E 434, G 435, E 436, F 437, D 438, E 439, H 440, D 441, Q 442, D 443, V 444, E ; _Entity.Polymer_author_seq_details 'Author sequence numbering retains the wild-type scheme' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal tail' _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_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 yes UNP P41937 . TBB-4 . . . . . . . . . . . . . . 54020 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 1 415 GLY . 54020 1 2 416 SER . 54020 1 3 417 ASP . 54020 1 4 418 LEU . 54020 1 5 419 VAL . 54020 1 6 420 SER . 54020 1 7 421 GLU . 54020 1 8 422 TYR . 54020 1 9 423 GLN . 54020 1 10 424 GLN . 54020 1 11 425 TYR . 54020 1 12 426 GLN . 54020 1 13 427 GLU . 54020 1 14 428 ALA . 54020 1 15 429 THR . 54020 1 16 430 ALA . 54020 1 17 431 ASP . 54020 1 18 432 ASP . 54020 1 19 433 GLU . 54020 1 20 434 GLY . 54020 1 21 435 GLU . 54020 1 22 436 PHE . 54020 1 23 437 ASP . 54020 1 24 438 GLU . 54020 1 25 439 HIS . 54020 1 26 440 ASP . 54020 1 27 441 GLN . 54020 1 28 442 ASP . 54020 1 29 443 VAL . 54020 1 30 444 GLU . 54020 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 . GLY 1 1 54020 1 . SER 2 2 54020 1 . ASP 3 3 54020 1 . LEU 4 4 54020 1 . VAL 5 5 54020 1 . SER 6 6 54020 1 . GLU 7 7 54020 1 . TYR 8 8 54020 1 . GLN 9 9 54020 1 . GLN 10 10 54020 1 . TYR 11 11 54020 1 . GLN 12 12 54020 1 . GLU 13 13 54020 1 . ALA 14 14 54020 1 . THR 15 15 54020 1 . ALA 16 16 54020 1 . ASP 17 17 54020 1 . ASP 18 18 54020 1 . GLU 19 19 54020 1 . GLY 20 20 54020 1 . GLU 21 21 54020 1 . PHE 22 22 54020 1 . ASP 23 23 54020 1 . GLU 24 24 54020 1 . HIS 25 25 54020 1 . ASP 26 26 54020 1 . GLN 27 27 54020 1 . ASP 28 28 54020 1 . VAL 29 29 54020 1 . GLU 30 30 54020 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 54020 _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 . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 54020 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 54020 _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 . . 'pGEXT 4T-3' . . . 54020 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 54020 _Sample.ID 1 _Sample.Name 13C_15N_TBB-4_tail _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 'TBB-4 C-terminal tail' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 275 50 500 uM . . . . 54020 1 2 PIPES 'natural abundance' . . . . . . 20 . . mM . . . . 54020 1 3 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 54020 1 4 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 54020 1 5 TSP 'natural abundance' . . . . . . 15 . . uM . . . . 54020 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 54020 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Buffer conditions' _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' 20 . mM 54020 1 pH 7 . pH 54020 1 pressure 1 . atm 54020 1 temperature 283.15 . K 54020 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 54020 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 54020 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 54020 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 54020 2 'data analysis' . 54020 2 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 54020 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent 600MHz INOVA spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 54020 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54020 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54020 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54020 1 4 '3D HNN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54020 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54020 1 6 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54020 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 54020 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference _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 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 54020 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 54020 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 54020 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 54020 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TBB-4 C-terminal tail' _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 2 '3D CBCA(CO)NH' . . . 54020 1 3 '3D HNCACB' . . . 54020 1 4 '3D HNN' . . . 54020 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 $software_1 . . 54020 1 2 $software_2 . . 54020 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 3 3 ASP H H 1 8.603 . . . . . . . . 417 D HN . 54020 1 2 . 1 . 1 3 3 ASP C C 13 175.058 . . . . . . . . 417 D C . 54020 1 3 . 1 . 1 3 3 ASP CA C 13 54.411 . . . . . . . . 417 D CA . 54020 1 4 . 1 . 1 3 3 ASP CB C 13 40.880 . . . . . . . . 417 D CB . 54020 1 5 . 1 . 1 3 3 ASP N N 15 122.464 . . . . . . . . 417 D N . 54020 1 6 . 1 . 1 4 4 LEU H H 1 8.274 . . . . . . . . 418 L HN . 54020 1 7 . 1 . 1 4 4 LEU C C 13 177.471 . . . . . . . . 418 L C . 54020 1 8 . 1 . 1 4 4 LEU CA C 13 55.364 . . . . . . . . 418 L CA . 54020 1 9 . 1 . 1 4 4 LEU CB C 13 42.228 . . . . . . . . 418 L CB . 54020 1 10 . 1 . 1 4 4 LEU N N 15 122.225 . . . . . . . . 418 L N . 54020 1 11 . 1 . 1 5 5 VAL H H 1 8.213 . . . . . . . . 419 V HN . 54020 1 12 . 1 . 1 5 5 VAL C C 13 176.339 . . . . . . . . 419 V C . 54020 1 13 . 1 . 1 5 5 VAL CA C 13 62.567 . . . . . . . . 419 V CA . 54020 1 14 . 1 . 1 5 5 VAL CB C 13 32.646 . . . . . . . . 419 V CB . 54020 1 15 . 1 . 1 5 5 VAL N N 15 121.666 . . . . . . . . 419 V N . 54020 1 16 . 1 . 1 6 6 SER H H 1 8.423 . . . . . . . . 420 S HN . 54020 1 17 . 1 . 1 6 6 SER C C 13 174.667 . . . . . . . . 420 S C . 54020 1 18 . 1 . 1 6 6 SER CA C 13 58.440 . . . . . . . . 420 S CA . 54020 1 19 . 1 . 1 6 6 SER CB C 13 63.884 . . . . . . . . 420 S CB . 54020 1 20 . 1 . 1 6 6 SER N N 15 119.532 . . . . . . . . 420 S N . 54020 1 21 . 1 . 1 7 7 GLU H H 1 8.530 . . . . . . . . 421 E HN . 54020 1 22 . 1 . 1 7 7 GLU C C 13 176.273 . . . . . . . . 421 E C . 54020 1 23 . 1 . 1 7 7 GLU CA C 13 57.011 . . . . . . . . 421 E CA . 54020 1 24 . 1 . 1 7 7 GLU CB C 13 30.086 . . . . . . . . 421 E CB . 54020 1 25 . 1 . 1 7 7 GLU N N 15 123.108 . . . . . . . . 421 E N . 54020 1 26 . 1 . 1 8 8 TYR H H 1 8.204 . . . . . . . . 422 Y HN . 54020 1 27 . 1 . 1 8 8 TYR C C 13 175.762 . . . . . . . . 422 Y C . 54020 1 28 . 1 . 1 8 8 TYR CA C 13 58.141 . . . . . . . . 422 Y CA . 54020 1 29 . 1 . 1 8 8 TYR CB C 13 38.592 . . . . . . . . 422 Y CB . 54020 1 30 . 1 . 1 8 8 TYR N N 15 120.682 . . . . . . . . 422 Y N . 54020 1 31 . 1 . 1 9 9 GLN H H 1 8.176 . . . . . . . . 423 Q HN . 54020 1 32 . 1 . 1 9 9 GLN C C 13 175.389 . . . . . . . . 423 Q C . 54020 1 33 . 1 . 1 9 9 GLN CA C 13 55.770 . . . . . . . . 423 Q CA . 54020 1 34 . 1 . 1 9 9 GLN CB C 13 29.453 . . . . . . . . 423 Q CB . 54020 1 35 . 1 . 1 9 9 GLN N N 15 122.622 . . . . . . . . 423 Q N . 54020 1 36 . 1 . 1 10 10 GLN H H 1 8.349 . . . . . . . . 424 Q HN . 54020 1 37 . 1 . 1 10 10 GLN C C 13 175.729 . . . . . . . . 424 Q C . 54020 1 38 . 1 . 1 10 10 GLN CA C 13 56.084 . . . . . . . . 424 Q CA . 54020 1 39 . 1 . 1 10 10 GLN CB C 13 29.369 . . . . . . . . 424 Q CB . 54020 1 40 . 1 . 1 10 10 GLN N N 15 121.700 . . . . . . . . 424 Q N . 54020 1 41 . 1 . 1 11 11 TYR H H 1 8.316 . . . . . . . . 425 Y HN . 54020 1 42 . 1 . 1 11 11 TYR C C 13 175.511 . . . . . . . . 425 Y C . 54020 1 43 . 1 . 1 11 11 TYR CA C 13 58.116 . . . . . . . . 425 Y CA . 54020 1 44 . 1 . 1 11 11 TYR CB C 13 38.685 . . . . . . . . 425 Y CB . 54020 1 45 . 1 . 1 11 11 TYR N N 15 121.743 . . . . . . . . 425 Y N . 54020 1 46 . 1 . 1 12 12 GLN H H 1 8.206 . . . . . . . . 426 Q HN . 54020 1 47 . 1 . 1 12 12 GLN C C 13 175.264 . . . . . . . . 426 Q C . 54020 1 48 . 1 . 1 12 12 GLN CA C 13 55.384 . . . . . . . . 426 Q CA . 54020 1 49 . 1 . 1 12 12 GLN CB C 13 29.847 . . . . . . . . 426 Q CB . 54020 1 50 . 1 . 1 12 12 GLN N N 15 123.025 . . . . . . . . 426 Q N . 54020 1 51 . 1 . 1 13 13 GLU H H 1 8.466 . . . . . . . . 427 E HN . 54020 1 52 . 1 . 1 13 13 GLU C C 13 176.195 . . . . . . . . 427 E C . 54020 1 53 . 1 . 1 13 13 GLU CA C 13 56.540 . . . . . . . . 427 E CA . 54020 1 54 . 1 . 1 13 13 GLU CB C 13 30.160 . . . . . . . . 427 E CB . 54020 1 55 . 1 . 1 13 13 GLU N N 15 123.057 . . . . . . . . 427 E N . 54020 1 56 . 1 . 1 14 14 ALA H H 1 8.478 . . . . . . . . 428 A HN . 54020 1 57 . 1 . 1 14 14 ALA C C 13 177.887 . . . . . . . . 428 A C . 54020 1 58 . 1 . 1 14 14 ALA CA C 13 52.506 . . . . . . . . 428 A CA . 54020 1 59 . 1 . 1 14 14 ALA CB C 13 19.321 . . . . . . . . 428 A CB . 54020 1 60 . 1 . 1 14 14 ALA N N 15 125.850 . . . . . . . . 428 A N . 54020 1 61 . 1 . 1 15 15 THR H H 1 8.298 . . . . . . . . 429 T HN . 54020 1 62 . 1 . 1 15 15 THR C C 13 174.328 . . . . . . . . 429 T C . 54020 1 63 . 1 . 1 15 15 THR CA C 13 61.618 . . . . . . . . 429 T CA . 54020 1 64 . 1 . 1 15 15 THR CB C 13 70.203 . . . . . . . . 429 T CB . 54020 1 65 . 1 . 1 15 15 THR N N 15 114.358 . . . . . . . . 429 T N . 54020 1 66 . 1 . 1 16 16 ALA H H 1 8.479 . . . . . . . . 430 A HN . 54020 1 67 . 1 . 1 16 16 ALA C C 13 175.930 . . . . . . . . 430 A C . 54020 1 68 . 1 . 1 16 16 ALA CA C 13 52.485 . . . . . . . . 430 A CA . 54020 1 69 . 1 . 1 16 16 ALA CB C 13 19.418 . . . . . . . . 430 A CB . 54020 1 70 . 1 . 1 16 16 ALA N N 15 126.908 . . . . . . . . 430 A N . 54020 1 71 . 1 . 1 17 17 ASP H H 1 8.419 . . . . . . . . 431 D HN . 54020 1 72 . 1 . 1 17 17 ASP C C 13 176.064 . . . . . . . . 431 D C . 54020 1 73 . 1 . 1 17 17 ASP CA C 13 54.481 . . . . . . . . 431 D CA . 54020 1 74 . 1 . 1 17 17 ASP CB C 13 41.083 . . . . . . . . 431 D CB . 54020 1 75 . 1 . 1 17 17 ASP N N 15 120.309 . . . . . . . . 431 D N . 54020 1 76 . 1 . 1 18 18 ASP H H 1 8.331 . . . . . . . . 432 D HN . 54020 1 77 . 1 . 1 18 18 ASP C C 13 176.495 . . . . . . . . 432 D C . 54020 1 78 . 1 . 1 18 18 ASP CA C 13 54.388 . . . . . . . . 432 D CA . 54020 1 79 . 1 . 1 18 18 ASP CB C 13 41.159 . . . . . . . . 432 D CB . 54020 1 80 . 1 . 1 18 18 ASP N N 15 120.714 . . . . . . . . 432 D N . 54020 1 81 . 1 . 1 19 19 GLU H H 1 8.471 . . . . . . . . 433 E HN . 54020 1 82 . 1 . 1 19 19 GLU C C 13 176.814 . . . . . . . . 433 E C . 54020 1 83 . 1 . 1 19 19 GLU CA C 13 56.890 . . . . . . . . 433 E CA . 54020 1 84 . 1 . 1 19 19 GLU CB C 13 30.089 . . . . . . . . 433 E CB . 54020 1 85 . 1 . 1 19 19 GLU N N 15 121.541 . . . . . . . . 433 E N . 54020 1 86 . 1 . 1 20 20 GLY H H 1 8.478 . . . . . . . . 434 G HN . 54020 1 87 . 1 . 1 20 20 GLY C C 13 175.579 . . . . . . . . 434 G C . 54020 1 88 . 1 . 1 20 20 GLY CA C 13 45.271 . . . . . . . . 434 G CA . 54020 1 89 . 1 . 1 20 20 GLY N N 15 109.773 . . . . . . . . 434 G N . 54020 1 90 . 1 . 1 21 21 GLU H H 1 8.251 . . . . . . . . 435 E HN . 54020 1 91 . 1 . 1 21 21 GLU C C 13 176.280 . . . . . . . . 435 E C . 54020 1 92 . 1 . 1 21 21 GLU CA C 13 56.471 . . . . . . . . 435 E CA . 54020 1 93 . 1 . 1 21 21 GLU CB C 13 30.308 . . . . . . . . 435 E CB . 54020 1 94 . 1 . 1 21 21 GLU N N 15 120.620 . . . . . . . . 435 E N . 54020 1 95 . 1 . 1 22 22 PHE H H 1 8.419 . . . . . . . . 436 F HN . 54020 1 96 . 1 . 1 22 22 PHE C C 13 175.242 . . . . . . . . 436 F C . 54020 1 97 . 1 . 1 22 22 PHE CA C 13 57.574 . . . . . . . . 436 F CA . 54020 1 98 . 1 . 1 22 22 PHE CB C 13 39.638 . . . . . . . . 436 F CB . 54020 1 99 . 1 . 1 22 22 PHE N N 15 121.320 . . . . . . . . 436 F N . 54020 1 100 . 1 . 1 23 23 ASP H H 1 8.304 . . . . . . . . 437 D HN . 54020 1 101 . 1 . 1 23 23 ASP C C 13 175.906 . . . . . . . . 437 D C . 54020 1 102 . 1 . 1 23 23 ASP CA C 13 53.941 . . . . . . . . 437 D CA . 54020 1 103 . 1 . 1 23 23 ASP CB C 13 41.439 . . . . . . . . 437 D CB . 54020 1 104 . 1 . 1 23 23 ASP N N 15 123.092 . . . . . . . . 437 D N . 54020 1 105 . 1 . 1 24 24 GLU H H 1 8.448 . . . . . . . . 438 E HN . 54020 1 106 . 1 . 1 24 24 GLU C C 13 176.507 . . . . . . . . 438 E C . 54020 1 107 . 1 . 1 24 24 GLU CA C 13 56.730 . . . . . . . . 438 E CA . 54020 1 108 . 1 . 1 24 24 GLU CB C 13 29.972 . . . . . . . . 438 E CB . 54020 1 109 . 1 . 1 24 24 GLU N N 15 122.337 . . . . . . . . 438 E N . 54020 1 110 . 1 . 1 25 25 HIS H H 1 8.609 . . . . . . . . 439 H HN . 54020 1 111 . 1 . 1 25 25 HIS C C 13 174.499 . . . . . . . . 439 H C . 54020 1 112 . 1 . 1 25 25 HIS CA C 13 55.658 . . . . . . . . 439 H CA . 54020 1 113 . 1 . 1 25 25 HIS CB C 13 29.002 . . . . . . . . 439 H CB . 54020 1 114 . 1 . 1 25 25 HIS N N 15 119.245 . . . . . . . . 439 H N . 54020 1 115 . 1 . 1 26 26 ASP H H 1 8.476 . . . . . . . . 440 D HN . 54020 1 116 . 1 . 1 26 26 ASP C C 13 175.382 . . . . . . . . 440 D C . 54020 1 117 . 1 . 1 26 26 ASP CA C 13 54.737 . . . . . . . . 440 D CA . 54020 1 118 . 1 . 1 26 26 ASP CB C 13 40.994 . . . . . . . . 440 D CB . 54020 1 119 . 1 . 1 26 26 ASP N N 15 121.676 . . . . . . . . 440 D N . 54020 1 120 . 1 . 1 27 27 GLN H H 1 8.423 . . . . . . . . 441 Q HN . 54020 1 121 . 1 . 1 27 27 GLN C C 13 175.740 . . . . . . . . 441 Q C . 54020 1 122 . 1 . 1 27 27 GLN CA C 13 55.773 . . . . . . . . 441 Q CA . 54020 1 123 . 1 . 1 27 27 GLN CB C 13 29.553 . . . . . . . . 441 Q CB . 54020 1 124 . 1 . 1 27 27 GLN N N 15 120.115 . . . . . . . . 441 Q N . 54020 1 125 . 1 . 1 28 28 ASP H H 1 8.473 . . . . . . . . 442 D HN . 54020 1 126 . 1 . 1 28 28 ASP C C 13 176.044 . . . . . . . . 442 D C . 54020 1 127 . 1 . 1 28 28 ASP CA C 13 54.618 . . . . . . . . 442 D CA . 54020 1 128 . 1 . 1 28 28 ASP CB C 13 40.896 . . . . . . . . 442 D CB . 54020 1 129 . 1 . 1 28 28 ASP N N 15 122.116 . . . . . . . . 442 D N . 54020 1 130 . 1 . 1 29 29 VAL H H 1 8.130 . . . . . . . . 443 V HN . 54020 1 131 . 1 . 1 29 29 VAL C C 13 175.423 . . . . . . . . 443 V C . 54020 1 132 . 1 . 1 29 29 VAL CA C 13 62.112 . . . . . . . . 443 V CA . 54020 1 133 . 1 . 1 29 29 VAL CB C 13 33.071 . . . . . . . . 443 V CB . 54020 1 134 . 1 . 1 29 29 VAL N N 15 119.924 . . . . . . . . 443 V N . 54020 1 135 . 1 . 1 30 30 GLU H H 1 8.126 . . . . . . . . 444 E HN . 54020 1 136 . 1 . 1 30 30 GLU C C 13 171.255 . . . . . . . . 444 E C . 54020 1 137 . 1 . 1 30 30 GLU CA C 13 58.198 . . . . . . . . 444 E CA . 54020 1 138 . 1 . 1 30 30 GLU CB C 13 31.052 . . . . . . . . 444 E CB . 54020 1 139 . 1 . 1 30 30 GLU N N 15 129.731 . . . . . . . . 444 E N . 54020 1 stop_ save_