data_53041 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53041 _Entry.Title ; FtsA Ecoli 406-417 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-04-18 _Entry.Accession_date 2025-04-18 _Entry.Last_release_date 2025-04-18 _Entry.Original_release_date 2025-04-18 _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 'C-terminal region of FtsA E.coli' _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 Anagha 'Kallisseri Parambil' . . . . 53041 2 Estelle Morvan . . . . 53041 3 Zeren Xu . . . . 53041 4 Axelle Grelard . . . . 53041 5 Birgit Habenstein . . . . 53041 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'European Institute of Chemistry and Biology, Bordeaux' . 53041 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53041 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 49 53041 '15N chemical shifts' 14 53041 '1H chemical shifts' 93 53041 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 . . 2025-05-28 . original BMRB . 53041 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53041 _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 ; FtsA Ecoli 406-417 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anagha 'Kallisseri Parambil' . . . . 53041 1 2 Estelle Morvan . . . . 53041 1 3 Zeren Xu . . . . 53041 1 4 Axelle Grelard . . . . 53041 1 5 Birgit Habenstein . . . . 53041 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53041 _Assembly.ID 1 _Assembly.Name 'FtsA Ecoli 406-417' _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 . _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 Nil 1 $entity_1 . . yes native no no . . . 53041 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53041 _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 ; GSWIKRLNSWLR ; _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 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 uniprot P0ABH0 . FtsA_Ecoli . . . . . . . . . . . . . . 53041 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cell division protein FtsA' 53041 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 . GLY . 53041 1 2 . SER . 53041 1 3 . TRP . 53041 1 4 . ILE . 53041 1 5 . LYS . 53041 1 6 . ARG . 53041 1 7 . LEU . 53041 1 8 . ASN . 53041 1 9 . SER . 53041 1 10 . TRP . 53041 1 11 . LEU . 53041 1 12 . ARG . 53041 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 53041 1 . SER 2 2 53041 1 . TRP 3 3 53041 1 . ILE 4 4 53041 1 . LYS 5 5 53041 1 . ARG 6 6 53041 1 . LEU 7 7 53041 1 . ASN 8 8 53041 1 . SER 9 9 53041 1 . TRP 10 10 53041 1 . LEU 11 11 53041 1 . ARG 12 12 53041 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 53041 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli 'strain K12' . . . . . . . . . . . . 53041 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 53041 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 53041 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53041 _Sample.ID 1 _Sample.Name FtsA_Ecoli_406-417 _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 'FtsA Ecoli 406-417' 'natural abundance' . . 1 $entity_1 . . 1.53 . . mM . . . . 53041 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 53041 _Sample_condition_list.ID 1 _Sample_condition_list.Name FtsA_Ecoli_406-417_298K _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 pH 6 . pH 53041 1 temperature 298 . K 53041 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53041 _Software.ID 1 _Software.Type . _Software.Name Topspin.Bruker _Software.Version v4.0.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'NMR Spectra calibration' . 53041 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53041 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version v3.2.12 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53041 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 53041 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NMR_spectrometer.Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength NMR_spectrometer.700 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 53041 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53041 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53041 1 3 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53041 1 4 '2D 1H-1H ROESY' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53041 1 5 '2D 1H-15N HMQC' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53041 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 53041 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '3-(trimethylsilyl)propionic acid-d4' _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 internal indirect 0.25144922 . . . . . 53041 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53041 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 53041 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 53041 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_list_FtsA_406-417 _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 '2D 1H-13C HSQC' . . . 53041 1 3 '2D 1H-1H TOCSY' . . . 53041 1 4 '2D 1H-1H ROESY' . . . 53041 1 5 '2D 1H-15N HMQC' . . . 53041 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 . . 53041 1 2 $software_2 . . 53041 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY H H 1 8.101855948 0.003903833025 . . . . . . . 1 GLY H . 53041 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.832592702 0.02111184431 . . . . . . . 1 GLY HA2 . 53041 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.792406748 0.01541681887 . . . . . . . 1 GLY HA3 . 53041 1 4 . 1 . 1 1 1 GLY CA C 13 45.46498108 0 . . . . . . . 1 GLY CA . 53041 1 5 . 1 . 1 1 1 GLY N N 15 115.1004243 . . . . . . . . 1 GLY N . 53041 1 6 . 1 . 1 2 2 SER H H 1 8.269527459 0.001965026732 . . . . . . . 2 SER H . 53041 1 7 . 1 . 1 2 2 SER HB2 H 1 3.791787863 0.00009417 . . . . . . . 2 SER HB2 . 53041 1 8 . 1 . 1 2 2 SER HB3 H 1 3.757482052 0.0001578330994 . . . . . . . 2 SER HB3 . 53041 1 9 . 1 . 1 2 2 SER CA C 13 58.87740294 . . . . . . . . 2 SER CA . 53041 1 10 . 1 . 1 2 2 SER CB C 13 63.80082703 . . . . . . . . 2 SER CB . 53041 1 11 . 1 . 1 2 2 SER N N 15 116.7393574 . . . . . . . . 2 SER N . 53041 1 12 . 1 . 1 3 3 TRP H H 1 8.078343871 0.003730898643 . . . . . . . 3 TRP H . 53041 1 13 . 1 . 1 3 3 TRP HA H 1 4.629733757 0.003093709457 . . . . . . . 3 TRP HA . 53041 1 14 . 1 . 1 3 3 TRP HB2 H 1 3.296910606 0.01208251082 . . . . . . . 3 TRP HB2 . 53041 1 15 . 1 . 1 3 3 TRP HB3 H 1 3.262064731 0.009447185647 . . . . . . . 3 TRP HB3 . 53041 1 16 . 1 . 1 3 3 TRP HD1 H 1 7.230029316 0.0099657606 . . . . . . . 3 TRP HD1 . 53041 1 17 . 1 . 1 3 3 TRP HE1 H 1 10.18176669 0.002583843185 . . . . . . . 3 TRP HE1 . 53041 1 18 . 1 . 1 3 3 TRP HE3 H 1 7.578807841 0.03509870621 . . . . . . . 3 TRP HE3 . 53041 1 19 . 1 . 1 3 3 TRP HZ2 H 1 7.508504279 0.01001407987 . . . . . . . 3 TRP HZ2 . 53041 1 20 . 1 . 1 3 3 TRP HZ3 H 1 6.865870825 0.001181954431 . . . . . . . 3 TRP HZ3 . 53041 1 21 . 1 . 1 3 3 TRP HH2 H 1 7.168080306 0.01043414255 . . . . . . . 3 TRP HH2 . 53041 1 22 . 1 . 1 3 3 TRP CA C 13 57.87420827 . . . . . . . . 3 TRP CA . 53041 1 23 . 1 . 1 3 3 TRP CB C 13 29.40516692 0.005869206853 . . . . . . . 3 TRP CB . 53041 1 24 . 1 . 1 3 3 TRP CD1 C 13 125.0161013 . . . . . . . . 3 TRP CD1 . 53041 1 25 . 1 . 1 3 3 TRP CD2 C 13 127.3541394 . . . . . . . . 3 TRP CD2 . 53041 1 26 . 1 . 1 3 3 TRP CE3 C 13 121.0963135 . . . . . . . . 3 TRP CE3 . 53041 1 27 . 1 . 1 3 3 TRP CZ2 C 13 114.9236842 . . . . . . . . 3 TRP CZ2 . 53041 1 28 . 1 . 1 3 3 TRP CH2 C 13 122.4114496 . . . . . . . . 3 TRP CH2 . 53041 1 29 . 1 . 1 3 3 TRP N N 15 123.8003507 . . . . . . . . 3 TRP N . 53041 1 30 . 1 . 1 3 3 TRP NE1 N 15 130.8099803 . . . . . . . . 3 TRP NE1 . 53041 1 31 . 1 . 1 4 4 ILE H H 1 7.664521955 0.001305617288 . . . . . . . 4 ILE H . 53041 1 32 . 1 . 1 4 4 ILE HA H 1 3.9599224 0.003814663008 . . . . . . . 4 ILE HA . 53041 1 33 . 1 . 1 4 4 ILE HB H 1 1.686705147 0.006405849462 . . . . . . . 4 ILE HB . 53041 1 34 . 1 . 1 4 4 ILE HG12 H 1 1.192611409 0.1352154864 . . . . . . . 4 ILE HG12 . 53041 1 35 . 1 . 1 4 4 ILE HG13 H 1 1.223492705 0.1233668375 . . . . . . . 4 ILE HG13 . 53041 1 36 . 1 . 1 4 4 ILE HG21 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HG2# . 53041 1 37 . 1 . 1 4 4 ILE HG22 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HG2# . 53041 1 38 . 1 . 1 4 4 ILE HG23 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HG2# . 53041 1 39 . 1 . 1 4 4 ILE HD11 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HD1# . 53041 1 40 . 1 . 1 4 4 ILE HD12 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HD1# . 53041 1 41 . 1 . 1 4 4 ILE HD13 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HD1# . 53041 1 42 . 1 . 1 4 4 ILE CA C 13 61.56232638 . . . . . . . . 4 ILE CA . 53041 1 43 . 1 . 1 4 4 ILE CB C 13 38.63377803 . . . . . . . . 4 ILE CB . 53041 1 44 . 1 . 1 4 4 ILE CG1 C 13 27.5025692 0.000804901123 . . . . . . . 4 ILE CG1 . 53041 1 45 . 1 . 1 4 4 ILE CG2 C 13 17.46075925 . . . . . . . . 4 ILE CG2 . 53041 1 46 . 1 . 1 4 4 ILE CD1 C 13 12.92947557 . . . . . . . . 4 ILE CD1 . 53041 1 47 . 1 . 1 4 4 ILE N N 15 123.4842334 . . . . . . . . 4 ILE N . 53041 1 48 . 1 . 1 5 5 LYS H H 1 8.096502685 0.001738991722 . . . . . . . 5 LYS H . 53041 1 49 . 1 . 1 5 5 LYS HA H 1 4.156416023 0.006530806641 . . . . . . . 5 LYS HA . 53041 1 50 . 1 . 1 5 5 LYS HB2 H 1 1.686026265 0.01291297629 . . . . . . . 5 LYS HB2 . 53041 1 51 . 1 . 1 5 5 LYS HB3 H 1 1.686026265 0.01291297629 . . . . . . . 5 LYS HB3 . 53041 1 52 . 1 . 1 5 5 LYS HG2 H 1 1.377931321 0.01109640611 . . . . . . . 5 LYS HG2 . 53041 1 53 . 1 . 1 5 5 LYS HG3 H 1 1.367448577 0.01736072572 . . . . . . . 5 LYS HG3 . 53041 1 54 . 1 . 1 5 5 LYS HD2 H 1 1.65480573 0.010113576 . . . . . . . 5 LYS HD2 . 53041 1 55 . 1 . 1 5 5 LYS HD3 H 1 1.65480573 0.010113576 . . . . . . . 5 LYS HD3 . 53041 1 56 . 1 . 1 5 5 LYS HE2 H 1 2.949332168 0.003228170431 . . . . . . . 5 LYS HE2 . 53041 1 57 . 1 . 1 5 5 LYS CA C 13 56.77589736 . . . . . . . . 5 LYS CA . 53041 1 58 . 1 . 1 5 5 LYS CB C 13 32.79494137 0.1969575204 . . . . . . . 5 LYS CB . 53041 1 59 . 1 . 1 5 5 LYS CG C 13 25.09415817 0 . . . . . . . 5 LYS CG . 53041 1 60 . 1 . 1 5 5 LYS CD C 13 29.35851803 . . . . . . . . 5 LYS CD . 53041 1 61 . 1 . 1 5 5 LYS CE C 13 42.36911022 . . . . . . . . 5 LYS CE . 53041 1 62 . 1 . 1 5 5 LYS N N 15 126.232105 . . . . . . . . 5 LYS N . 53041 1 63 . 1 . 1 6 6 ARG H H 1 8.193658095 0.002142528444 . . . . . . . 6 ARG H . 53041 1 64 . 1 . 1 6 6 ARG HA H 1 4.27157247 0.00385349486 . . . . . . . 6 ARG HA . 53041 1 65 . 1 . 1 6 6 ARG HB2 H 1 1.785294402 0.0119784141 . . . . . . . 6 ARG HB2 . 53041 1 66 . 1 . 1 6 6 ARG HB3 H 1 1.745695716 0.01518196257 . . . . . . . 6 ARG HB3 . 53041 1 67 . 1 . 1 6 6 ARG HG2 H 1 1.58416917 0.02499756766 . . . . . . . 6 ARG HG2 . 53041 1 68 . 1 . 1 6 6 ARG HG3 H 1 1.541694838 0.00797977865 . . . . . . . 6 ARG HG3 . 53041 1 69 . 1 . 1 6 6 ARG HD2 H 1 3.11198823 0.008341554637 . . . . . . . 6 ARG HD2 . 53041 1 70 . 1 . 1 6 6 ARG HD3 H 1 3.112424052 0.008010703829 . . . . . . . 6 ARG HD3 . 53041 1 71 . 1 . 1 6 6 ARG HE H 1 7.121433668 0.001460139705 . . . . . . . 6 ARG HE . 53041 1 72 . 1 . 1 6 6 ARG CA C 13 55.82802582 . . . . . . . . 6 ARG CA . 53041 1 73 . 1 . 1 6 6 ARG CB C 13 30.83421898 0.01342010498 . . . . . . . 6 ARG CB . 53041 1 74 . 1 . 1 6 6 ARG CG C 13 27.29109573 . . . . . . . . 6 ARG CG . 53041 1 75 . 1 . 1 6 6 ARG CD C 13 43.59842688 . . . . . . . . 6 ARG CD . 53041 1 76 . 1 . 1 6 6 ARG N N 15 123.445585 . . . . . . . . 6 ARG N . 53041 1 77 . 1 . 1 7 7 LEU H H 1 8.142524827 0.004454007685 . . . . . . . 7 LEU H . 53041 1 78 . 1 . 1 7 7 LEU HA H 1 4.292919996 0.005525348467 . . . . . . . 7 LEU HA . 53041 1 79 . 1 . 1 7 7 LEU HB2 H 1 1.579256989 0.005164014784 . . . . . . . 7 LEU HB2 . 53041 1 80 . 1 . 1 7 7 LEU HB3 H 1 1.579256989 0.005164014784 . . . . . . . 7 LEU HB3 . 53041 1 81 . 1 . 1 7 7 LEU HG H 1 1.57731021 0.008190929289 . . . . . . . 7 LEU HG . 53041 1 82 . 1 . 1 7 7 LEU HD11 H 1 0.8873747282 0.02332261542 . . . . . . . 7 LEU HD1# . 53041 1 83 . 1 . 1 7 7 LEU HD12 H 1 0.8873747282 0.02332261542 . . . . . . . 7 LEU HD1# . 53041 1 84 . 1 . 1 7 7 LEU HD13 H 1 0.8873747282 0.02332261542 . . . . . . . 7 LEU HD1# . 53041 1 85 . 1 . 1 7 7 LEU HD21 H 1 0.8562275051 0.006092879946 . . . . . . . 7 LEU HD2# . 53041 1 86 . 1 . 1 7 7 LEU HD22 H 1 0.8562275051 0.006092879946 . . . . . . . 7 LEU HD2# . 53041 1 87 . 1 . 1 7 7 LEU HD23 H 1 0.8562275051 0.006092879946 . . . . . . . 7 LEU HD2# . 53041 1 88 . 1 . 1 7 7 LEU CA C 13 55.70240784 . . . . . . . . 7 LEU CA . 53041 1 89 . 1 . 1 7 7 LEU CB C 13 42.62306213 . . . . . . . . 7 LEU CB . 53041 1 90 . 1 . 1 7 7 LEU CG C 13 27.22651958 0.07687473297 . . . . . . . 7 LEU CG . 53041 1 91 . 1 . 1 7 7 LEU CD1 C 13 25.09247963 0.08224479431 . . . . . . . 7 LEU CD1 . 53041 1 92 . 1 . 1 7 7 LEU CD2 C 13 23.56713104 . . . . . . . . 7 LEU CD2 . 53041 1 93 . 1 . 1 7 7 LEU N N 15 124.1784793 . . . . . . . . 7 LEU N . 53041 1 94 . 1 . 1 8 8 ASN H H 1 8.323587923 0.001142698943 . . . . . . . 8 ASN H . 53041 1 95 . 1 . 1 8 8 ASN HA H 1 4.542913519 0.002646327208 . . . . . . . 8 ASN HA . 53041 1 96 . 1 . 1 8 8 ASN HB2 H 1 2.623350003 0.003260178664 . . . . . . . 8 ASN HB2 . 53041 1 97 . 1 . 1 8 8 ASN HB3 H 1 2.623350003 0.003260178665 . . . . . . . 8 ASN HB3 . 53041 1 98 . 1 . 1 8 8 ASN CA C 13 53.56883214 . . . . . . . . 8 ASN CA . 53041 1 99 . 1 . 1 8 8 ASN CB C 13 38.87161616 . . . . . . . . 8 ASN CB . 53041 1 100 . 1 . 1 8 8 ASN N N 15 120.0491009 . . . . . . . . 8 ASN N . 53041 1 101 . 1 . 1 9 9 SER H H 1 8.04073898 0.01076895303 . . . . . . . 9 SER H . 53041 1 102 . 1 . 1 9 9 SER HA H 1 4.324480514 0.005871272841 . . . . . . . 9 SER HA . 53041 1 103 . 1 . 1 9 9 SER HB2 H 1 3.790326577 0.004227881845 . . . . . . . 9 SER HB2 . 53041 1 104 . 1 . 1 9 9 SER HB3 H 1 3.759514315 0.003380543405 . . . . . . . 9 SER HB3 . 53041 1 105 . 1 . 1 9 9 SER CA C 13 58.90518408 . . . . . . . . 9 SER CA . 53041 1 106 . 1 . 1 9 9 SER CB C 13 63.80082703 . . . . . . . . 9 SER CB . 53041 1 107 . 1 . 1 9 9 SER N N 15 116.3961443 . . . . . . . . 9 SER N . 53041 1 108 . 1 . 1 10 10 TRP H H 1 7.978097029 0.003593684722 . . . . . . . 10 TRP H . 53041 1 109 . 1 . 1 10 10 TRP HA H 1 4.721285482 0.008813371038 . . . . . . . 10 TRP HA . 53041 1 110 . 1 . 1 10 10 TRP HB2 H 1 3.321497029 0.008454765038 . . . . . . . 10 TRP HB2 . 53041 1 111 . 1 . 1 10 10 TRP HB3 H 1 3.274762257 0.004742643166 . . . . . . . 10 TRP HB3 . 53041 1 112 . 1 . 1 10 10 TRP HD1 H 1 7.243004369 0.004747983476 . . . . . . . 10 TRP HD1 . 53041 1 113 . 1 . 1 10 10 TRP HE1 H 1 10.18212353 0.00263687377 . . . . . . . 10 TRP HE1 . 53041 1 114 . 1 . 1 10 10 TRP HE3 H 1 7.635776463 0.002377869766 . . . . . . . 10 TRP HE3 . 53041 1 115 . 1 . 1 10 10 TRP HZ2 H 1 7.504130363 0.006142801109 . . . . . . . 10 TRP HZ2 . 53041 1 116 . 1 . 1 10 10 TRP HZ3 H 1 6.86599121 0.001084242874 . . . . . . . 10 TRP HZ3 . 53041 1 117 . 1 . 1 10 10 TRP HH2 H 1 7.169346369 0.01258960872 . . . . . . . 10 TRP HH2 . 53041 1 118 . 1 . 1 10 10 TRP CA C 13 57.46177495 . . . . . . . . 10 TRP CA . 53041 1 119 . 1 . 1 10 10 TRP CB C 13 29.83524036 0.003302574158 . . . . . . . 10 TRP CB . 53041 1 120 . 1 . 1 10 10 TRP CD1 C 13 125.0161013 . . . . . . . . 10 TRP CD1 . 53041 1 121 . 1 . 1 10 10 TRP CD2 C 13 127.3541394 . . . . . . . . 10 TRP CD2 . 53041 1 122 . 1 . 1 10 10 TRP CE3 C 13 121.1200513 . . . . . . . . 10 TRP CE3 . 53041 1 123 . 1 . 1 10 10 TRP CZ2 C 13 114.9236842 . . . . . . . . 10 TRP CZ2 . 53041 1 124 . 1 . 1 10 10 TRP CH2 C 13 122.4114496 . . . . . . . . 10 TRP CH2 . 53041 1 125 . 1 . 1 10 10 TRP N N 15 123.3504603 . . . . . . . . 10 TRP N . 53041 1 126 . 1 . 1 10 10 TRP NE1 N 15 130.8099803 . . . . . . . . 10 TRP NE1 . 53041 1 127 . 1 . 1 11 11 LEU H H 1 7.942057286 0.0007369513074 . . . . . . . 11 LEU H . 53041 1 128 . 1 . 1 11 11 LEU HA H 1 4.303892765 0.001391008702 . . . . . . . 11 LEU HA . 53041 1 129 . 1 . 1 11 11 LEU HB2 H 1 1.505087272 0.006769853929 . . . . . . . 11 LEU HB2 . 53041 1 130 . 1 . 1 11 11 LEU HB3 H 1 1.505087272 0.006769853929 . . . . . . . 11 LEU HB3 . 53041 1 131 . 1 . 1 11 11 LEU HG H 1 1.49883836 0.007763491191 . . . . . . . 11 LEU HG . 53041 1 132 . 1 . 1 11 11 LEU HD11 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD1# . 53041 1 133 . 1 . 1 11 11 LEU HD12 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD1# . 53041 1 134 . 1 . 1 11 11 LEU HD13 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD1# . 53041 1 135 . 1 . 1 11 11 LEU HD21 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD2# . 53041 1 136 . 1 . 1 11 11 LEU HD22 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD2# . 53041 1 137 . 1 . 1 11 11 LEU HD23 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD2# . 53041 1 138 . 1 . 1 11 11 LEU CA C 13 55.70200729 . . . . . . . . 11 LEU CA . 53041 1 139 . 1 . 1 11 11 LEU CB C 13 42.62576675 . . . . . . . . 11 LEU CB . 53041 1 140 . 1 . 1 11 11 LEU CG C 13 27.31592751 . . . . . . . . 11 LEU CG . 53041 1 141 . 1 . 1 11 11 LEU CD1 C 13 24.43531036 . . . . . . . . 11 LEU CD1 . 53041 1 142 . 1 . 1 11 11 LEU CD2 C 13 24.43531036 . . . . . . . . 11 LEU CD2 . 53041 1 143 . 1 . 1 11 11 LEU N N 15 125.2166536 . . . . . . . . 11 LEU N . 53041 1 144 . 1 . 1 12 12 ARG H H 1 7.747921247 0.002837910118 . . . . . . . 12 ARG H . 53041 1 145 . 1 . 1 12 12 ARG HA H 1 4.124458042 0.002552221821 . . . . . . . 12 ARG HA . 53041 1 146 . 1 . 1 12 12 ARG HB2 H 1 1.8123751 0.003163090789 . . . . . . . 12 ARG HB2 . 53041 1 147 . 1 . 1 12 12 ARG HB3 H 1 1.8123751 0.003163090789 . . . . . . . 12 ARG HB3 . 53041 1 148 . 1 . 1 12 12 ARG HG2 H 1 1.5367612 0.001773062648 . . . . . . . 12 ARG HG2 . 53041 1 149 . 1 . 1 12 12 ARG HG3 H 1 1.5367612 0.001773062648 . . . . . . . 12 ARG HG3 . 53041 1 150 . 1 . 1 12 12 ARG HD2 H 1 3.122720901 0.003672290054 . . . . . . . 12 ARG HD2 . 53041 1 151 . 1 . 1 12 12 ARG HD3 H 1 3.122720901 0.003672290054 . . . . . . . 12 ARG HD3 . 53041 1 152 . 1 . 1 12 12 ARG CA C 13 57.50371665 . . . . . . . . 12 ARG CA . 53041 1 153 . 1 . 1 12 12 ARG CB C 13 31.55370722 . . . . . . . . 12 ARG CB . 53041 1 154 . 1 . 1 12 12 ARG CG C 13 27.2008152 . . . . . . . . 12 ARG CG . 53041 1 155 . 1 . 1 12 12 ARG CD C 13 43.20199585 . . . . . . . . 12 ARG CD . 53041 1 156 . 1 . 1 12 12 ARG N N 15 127.925209 . . . . . . . . 12 ARG N . 53041 1 stop_ save_