data_54016 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 54016 _Entry.Title ; Chemical shifts of Tubulin alpha C-terminal tail from T. thermophila ; _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. . . 54016 2 Patrick DeLear . . . . 54016 3 Ezekiel Thomas . C. . . 54016 4 Jeffre Allen . . . . 54016 5 Genesis Ferrer-Imbert . . . . 54016 6 Nirbhik Acharya . . . 0000-0003-4591-5215 54016 7 Carlos Castaneda . A. . 0000-0001-9634-0867 54016 8 David Sept . . . . 54016 9 Jeffrey Moore . K. . . 54016 10 Loren Hough . . . 0000-0002-1104-0126 54016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 54016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 34 54016 '15N chemical shifts' 19 54016 '1H chemical shifts' 19 54016 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 . 54016 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 54017 'Chemical shifts of TUBB C-terminal tail from H. sapiens' 54016 BMRB 54018 'Chemical shifts of Tubulin beta BTU1 C-terminal tail from T. thermophila' 54016 BMRB 54019 'Chemical shifts of Tubulin beta-1 (MEC-7) C-terminal tail from C. elegans' 54016 BMRB 54020 'Chemical shifts of Tubulin beta-4 (TBB-4) C-terminal tail from C. elegans' 54016 BMRB 54021 'Chemical shifts of TUBB3 C-terminal tail from H. sapiens' 54016 BMRB 54022 'Chemical shifts of Tubulin alpha-1 (Tub1p) C-terminal tail from S. cerevisiae' 54016 BMRB 54023 'Chemical shifts of Tubulin beta (Tub2p) C-terminal tail from S. cerevisiae' 54016 BMRB 54024 'Chemical shifts of TUBA1A C-terminal tail from H. sapiens' 54016 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 54016 _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. . . 54016 1 2 Patrick DeLear . . . . 54016 1 3 Ezekiel Thomas . C. . . 54016 1 4 Jeffre Allen . . . . 54016 1 5 Genesis Ferrer-Imbert . . . . 54016 1 6 Nirbhik Acharya . . . . 54016 1 7 Carlos Castaneda . A. . . 54016 1 8 David Sept . . . . 54016 1 9 Jeffrey Moore . K. . . 54016 1 10 Loren Hough . . . . 54016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 54016 _Assembly.ID 1 _Assembly.Name 'ATU1 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 3011 _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 'ATU1 C-terminal tail' 1 $entity_1 . . yes native no no . . . 54016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 54016 _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 ; SDLVPRGSEKDYEEVGIETA EGEGEEEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 429, E 430, K 431, D 432, Y 433, E 434, E 435, V 436, G 437, I 438, E 439, T 440, A 441, E 442, G 443, E 444, G 445, E 446, E 447, E 448, G ; _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 28 _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 P41351 . ATU1 . . . . . . . . . . . . . . 54016 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 1 421 SER . 54016 1 2 422 ASP . 54016 1 3 423 LEU . 54016 1 4 424 VAL . 54016 1 5 425 PRO . 54016 1 6 426 ARG . 54016 1 7 427 GLY . 54016 1 8 428 SER . 54016 1 9 429 GLU . 54016 1 10 430 LYS . 54016 1 11 431 ASP . 54016 1 12 432 TYR . 54016 1 13 433 GLU . 54016 1 14 434 GLU . 54016 1 15 435 VAL . 54016 1 16 436 GLY . 54016 1 17 437 ILE . 54016 1 18 438 GLU . 54016 1 19 439 THR . 54016 1 20 440 ALA . 54016 1 21 441 GLU . 54016 1 22 442 GLY . 54016 1 23 443 GLU . 54016 1 24 444 GLY . 54016 1 25 445 GLU . 54016 1 26 446 GLU . 54016 1 27 447 GLU . 54016 1 28 448 GLY . 54016 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 54016 1 . ASP 2 2 54016 1 . LEU 3 3 54016 1 . VAL 4 4 54016 1 . PRO 5 5 54016 1 . ARG 6 6 54016 1 . GLY 7 7 54016 1 . SER 8 8 54016 1 . GLU 9 9 54016 1 . LYS 10 10 54016 1 . ASP 11 11 54016 1 . TYR 12 12 54016 1 . GLU 13 13 54016 1 . GLU 14 14 54016 1 . VAL 15 15 54016 1 . GLY 16 16 54016 1 . ILE 17 17 54016 1 . GLU 18 18 54016 1 . THR 19 19 54016 1 . ALA 20 20 54016 1 . GLU 21 21 54016 1 . GLY 22 22 54016 1 . GLU 23 23 54016 1 . GLY 24 24 54016 1 . GLU 25 25 54016 1 . GLU 26 26 54016 1 . GLU 27 27 54016 1 . GLY 28 28 54016 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 54016 _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 . 5911 organism . 'Tetrahymena thermophila' 'Tetrahymena thermophila' . . Eukaryota . Tetrahymena thermophila . . . . . . . . . . . . . 54016 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 54016 _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' . . . 54016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 54016 _Sample.ID 1 _Sample.Name 13C_15N_ATU1_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 'ATU1 C-terminal tail' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 275 50 500 uM . . . . 54016 1 2 PIPES 'natural abundance' . . . . . . 20 . . mM . . . . 54016 1 3 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 54016 1 4 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 54016 1 5 TSP 'natural abundance' . . . . . . 15 . . uM . . . . 54016 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 54016 _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 54016 1 pH 7 . pH 54016 1 pressure 1 . atm 54016 1 temperature 283.15 . K 54016 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 54016 _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 . 54016 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 54016 _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' . 54016 2 'data analysis' . 54016 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 54016 _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 54016 _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 . . . . . . . . . . . . . . . . . 54016 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54016 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54016 1 4 '3D HNN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54016 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 54016 _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 . . . . . 54016 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 54016 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 54016 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 54016 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ATU1 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' . . . 54016 1 3 '3D HNCACB' . . . 54016 1 4 '3D HNN' . . . 54016 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 . . 54016 1 2 $software_2 . . 54016 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 9 9 GLU H H 1 8.730 . . . . . . . . 429 E HN . 54016 1 2 . 1 . 1 9 9 GLU CA C 13 57.150 . . . . . . . . 429 E CA . 54016 1 3 . 1 . 1 9 9 GLU CB C 13 29.820 . . . . . . . . 429 E CB . 54016 1 4 . 1 . 1 9 9 GLU N N 15 122.980 . . . . . . . . 429 E N . 54016 1 5 . 1 . 1 10 10 LYS H H 1 8.340 . . . . . . . . 430 K HN . 54016 1 6 . 1 . 1 10 10 LYS CA C 13 56.170 . . . . . . . . 430 K CA . 54016 1 7 . 1 . 1 10 10 LYS CB C 13 33.020 . . . . . . . . 430 K CB . 54016 1 8 . 1 . 1 10 10 LYS N N 15 121.220 . . . . . . . . 430 K N . 54016 1 9 . 1 . 1 11 11 ASP H H 1 8.270 . . . . . . . . 431 D HN . 54016 1 10 . 1 . 1 11 11 ASP CA C 13 54.470 . . . . . . . . 431 D CA . 54016 1 11 . 1 . 1 11 11 ASP CB C 13 40.840 . . . . . . . . 431 D CB . 54016 1 12 . 1 . 1 11 11 ASP N N 15 121.380 . . . . . . . . 431 D N . 54016 1 13 . 1 . 1 12 12 TYR H H 1 7.990 . . . . . . . . 432 Y HN . 54016 1 14 . 1 . 1 12 12 TYR CA C 13 57.950 . . . . . . . . 432 Y CA . 54016 1 15 . 1 . 1 12 12 TYR CB C 13 38.790 . . . . . . . . 432 Y CB . 54016 1 16 . 1 . 1 12 12 TYR N N 15 119.950 . . . . . . . . 432 Y N . 54016 1 17 . 1 . 1 13 13 GLU H H 1 8.130 . . . . . . . . 433 E HN . 54016 1 18 . 1 . 1 13 13 GLU CA C 13 56.050 . . . . . . . . 433 E CA . 54016 1 19 . 1 . 1 13 13 GLU CB C 13 30.660 . . . . . . . . 433 E CB . 54016 1 20 . 1 . 1 13 13 GLU N N 15 122.820 . . . . . . . . 433 E N . 54016 1 21 . 1 . 1 14 14 GLU H H 1 8.380 . . . . . . . . 434 E HN . 54016 1 22 . 1 . 1 14 14 GLU CA C 13 56.270 . . . . . . . . 434 E CA . 54016 1 23 . 1 . 1 14 14 GLU CB C 13 30.380 . . . . . . . . 434 E CB . 54016 1 24 . 1 . 1 14 14 GLU N N 15 122.880 . . . . . . . . 434 E N . 54016 1 25 . 1 . 1 15 15 VAL H H 1 8.290 . . . . . . . . 435 V HN . 54016 1 26 . 1 . 1 15 15 VAL CA C 13 62.400 . . . . . . . . 435 V CA . 54016 1 27 . 1 . 1 15 15 VAL CB C 13 32.810 . . . . . . . . 435 V CB . 54016 1 28 . 1 . 1 15 15 VAL N N 15 122.290 . . . . . . . . 435 V N . 54016 1 29 . 1 . 1 16 16 GLY H H 1 8.570 . . . . . . . . 436 G HN . 54016 1 30 . 1 . 1 16 16 GLY CA C 13 45.170 . . . . . . . . 436 G CA . 54016 1 31 . 1 . 1 16 16 GLY N N 15 113.050 . . . . . . . . 436 G N . 54016 1 32 . 1 . 1 17 17 ILE H H 1 8.080 . . . . . . . . 437 I HN . 54016 1 33 . 1 . 1 17 17 ILE CA C 13 60.970 . . . . . . . . 437 I CA . 54016 1 34 . 1 . 1 17 17 ILE CB C 13 38.950 . . . . . . . . 437 I CB . 54016 1 35 . 1 . 1 17 17 ILE N N 15 120.310 . . . . . . . . 437 I N . 54016 1 36 . 1 . 1 18 18 GLU H H 1 8.630 . . . . . . . . 438 E HN . 54016 1 37 . 1 . 1 18 18 GLU CA C 13 56.400 . . . . . . . . 438 E CA . 54016 1 38 . 1 . 1 18 18 GLU CB C 13 30.290 . . . . . . . . 438 E CB . 54016 1 39 . 1 . 1 18 18 GLU N N 15 125.670 . . . . . . . . 438 E N . 54016 1 40 . 1 . 1 19 19 THR H H 1 8.310 . . . . . . . . 439 T HN . 54016 1 41 . 1 . 1 19 19 THR CA C 13 61.720 . . . . . . . . 439 T CA . 54016 1 42 . 1 . 1 19 19 THR CB C 13 69.920 . . . . . . . . 439 T CB . 54016 1 43 . 1 . 1 19 19 THR N N 15 116.910 . . . . . . . . 439 T N . 54016 1 44 . 1 . 1 20 20 ALA H H 1 8.500 . . . . . . . . 440 A HN . 54016 1 45 . 1 . 1 20 20 ALA CA C 13 52.300 . . . . . . . . 440 A CA . 54016 1 46 . 1 . 1 20 20 ALA CB C 13 19.340 . . . . . . . . 440 A CB . 54016 1 47 . 1 . 1 20 20 ALA N N 15 127.530 . . . . . . . . 440 A N . 54016 1 48 . 1 . 1 21 21 GLU H H 1 8.520 . . . . . . . . 441 E HN . 54016 1 49 . 1 . 1 21 21 GLU CA C 13 56.750 . . . . . . . . 441 E CA . 54016 1 50 . 1 . 1 21 21 GLU CB C 13 30.230 . . . . . . . . 441 E CB . 54016 1 51 . 1 . 1 21 21 GLU N N 15 121.230 . . . . . . . . 441 E N . 54016 1 52 . 1 . 1 22 22 GLY H H 1 8.520 . . . . . . . . 442 G HN . 54016 1 53 . 1 . 1 22 22 GLY CA C 13 45.170 . . . . . . . . 442 G CA . 54016 1 54 . 1 . 1 22 22 GLY N N 15 110.760 . . . . . . . . 442 G N . 54016 1 55 . 1 . 1 23 23 GLU H H 1 8.340 . . . . . . . . 443 E HN . 54016 1 56 . 1 . 1 23 23 GLU CA C 13 56.370 . . . . . . . . 443 E CA . 54016 1 57 . 1 . 1 23 23 GLU CB C 13 30.410 . . . . . . . . 443 E CB . 54016 1 58 . 1 . 1 23 23 GLU N N 15 120.610 . . . . . . . . 443 E N . 54016 1 59 . 1 . 1 24 24 GLY H H 1 8.570 . . . . . . . . 444 G HN . 54016 1 60 . 1 . 1 24 24 GLY CA C 13 45.210 . . . . . . . . 444 G CA . 54016 1 61 . 1 . 1 24 24 GLY N N 15 110.560 . . . . . . . . 444 G N . 54016 1 62 . 1 . 1 26 26 GLU H H 1 8.610 . . . . . . . . 446 E HN . 54016 1 63 . 1 . 1 26 26 GLU CA C 13 56.450 . . . . . . . . 446 E CA . 54016 1 64 . 1 . 1 26 26 GLU CB C 13 30.240 . . . . . . . . 446 E CB . 54016 1 65 . 1 . 1 26 26 GLU N N 15 122.380 . . . . . . . . 446 E N . 54016 1 66 . 1 . 1 27 27 GLU H H 1 8.550 . . . . . . . . 447 E HN . 54016 1 67 . 1 . 1 27 27 GLU CA C 13 56.500 . . . . . . . . 447 E CA . 54016 1 68 . 1 . 1 27 27 GLU CB C 13 30.450 . . . . . . . . 447 E CB . 54016 1 69 . 1 . 1 27 27 GLU N N 15 123.000 . . . . . . . . 447 E N . 54016 1 70 . 1 . 1 28 28 GLY H H 1 8.140 . . . . . . . . 448 G HN . 54016 1 71 . 1 . 1 28 28 GLY CA C 13 46.110 . . . . . . . . 448 G CA . 54016 1 72 . 1 . 1 28 28 GLY N N 15 116.630 . . . . . . . . 448 G N . 54016 1 stop_ save_