data_27316 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27316 _Entry.Title ; NMR assignment of the transmembrane helix of BclxL in phospholipid nanodiscs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-24 _Entry.Accession_date 2017-11-24 _Entry.Last_release_date 2017-11-27 _Entry.Original_release_date 2017-11-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Kolio Raltchev . . . . 27316 2 Joka Pipercevic . . . . 27316 3 Franz Hagn . . . . 27316 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Technical University of Muncih' . 27316 2 . 'Helmholtz Center Munich' . 27316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 62 27316 '15N chemical shifts' 26 27316 '1H chemical shifts' 26 27316 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 . . 2018-07-12 . original BMRB . 27316 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27316 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural analysis of natively-folded membrane-anchored proteins obtained by SortaseA-mediated ligation ; _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 Kolio Raltchev . . . . 27316 1 2 Joka Pipercevic . . . . 27316 1 3 Franz Hagn . . . . 27316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27316 _Assembly.ID 1 _Assembly.Name BclxL _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BclxL 1 $BclxL A . yes native no no . . . 27316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BclxL _Entity.Sf_category entity _Entity.Sf_framecode BclxL _Entity.Entry_ID 27316 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BclxL _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 ; GSGESRKGQERFNRWFLTGM TVAGVVLLGSLFSRK ; _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 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Transmembrane helix of BclxL, residues 207-233' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 209 GLY . 27316 1 2 210 SER . 27316 1 3 211 GLY . 27316 1 4 212 GLU . 27316 1 5 213 SER . 27316 1 6 214 ARG . 27316 1 7 215 LYS . 27316 1 8 216 GLY . 27316 1 9 217 GLN . 27316 1 10 218 GLU . 27316 1 11 219 ARG . 27316 1 12 220 PHE . 27316 1 13 221 ASN . 27316 1 14 222 ARG . 27316 1 15 223 TRP . 27316 1 16 224 PHE . 27316 1 17 225 LEU . 27316 1 18 226 THR . 27316 1 19 227 GLY . 27316 1 20 228 MET . 27316 1 21 229 THR . 27316 1 22 230 VAL . 27316 1 23 231 ALA . 27316 1 24 232 GLY . 27316 1 25 233 VAL . 27316 1 26 234 VAL . 27316 1 27 235 LEU . 27316 1 28 236 LEU . 27316 1 29 237 GLY . 27316 1 30 238 SER . 27316 1 31 239 LEU . 27316 1 32 240 PHE . 27316 1 33 241 SER . 27316 1 34 242 ARG . 27316 1 35 243 LYS . 27316 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 27316 1 . SER 2 2 27316 1 . GLY 3 3 27316 1 . GLU 4 4 27316 1 . SER 5 5 27316 1 . ARG 6 6 27316 1 . LYS 7 7 27316 1 . GLY 8 8 27316 1 . GLN 9 9 27316 1 . GLU 10 10 27316 1 . ARG 11 11 27316 1 . PHE 12 12 27316 1 . ASN 13 13 27316 1 . ARG 14 14 27316 1 . TRP 15 15 27316 1 . PHE 16 16 27316 1 . LEU 17 17 27316 1 . THR 18 18 27316 1 . GLY 19 19 27316 1 . MET 20 20 27316 1 . THR 21 21 27316 1 . VAL 22 22 27316 1 . ALA 23 23 27316 1 . GLY 24 24 27316 1 . VAL 25 25 27316 1 . VAL 26 26 27316 1 . LEU 27 27 27316 1 . LEU 28 28 27316 1 . GLY 29 29 27316 1 . SER 30 30 27316 1 . LEU 31 31 27316 1 . PHE 32 32 27316 1 . SER 33 33 27316 1 . ARG 34 34 27316 1 . LYS 35 35 27316 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27316 _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 $BclxL . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27316 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27316 _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 $BclxL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL(DE3) . . . . pET21 . . 'N-terminal GB1 expression tag and Thrombin cleavage site' 27316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27316 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'BclxL TM helix in phospholipid nanodsics' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 BclxL '[U-13C; U-15N; U-2H]' . . 1 $BclxL . . 400 . . mM . . . . 27316 1 2 DMPC [U-2H] . . . . . . 15 . . mM . . . . 27316 1 3 DPMG [U-2H] . . . . . . 5 . . mM . . . . 27316 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27316 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27316 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27316 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 27316 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27316 1 pH 7 . pH 27316 1 pressure 1 . atm 27316 1 temperature 318 . K 27316 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27316 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 27316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27316 1 processing 27316 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27316 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27316 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27316 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27316 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27316 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27316 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27316 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27316 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27316 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27316 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27316 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27316 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 27316 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal direct 0.251449530 . . . . . 27316 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27316 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal direct 0.101329118 . . . . . 27316 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27316 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27316 1 2 '3D HNCO' . . . 27316 1 3 '3D HNCA' . . . 27316 1 4 '3D HNCACB' . . . 27316 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 11 11 ARG H H 1 8.22 0.02 . 1 . . . . . 209 ARG H . 27316 1 2 . 1 1 11 11 ARG C C 13 174.10 0.05 . 1 . . . . . 209 ARG C . 27316 1 3 . 1 1 11 11 ARG CA C 13 54.72 0.05 . 1 . . . . . 209 ARG CA . 27316 1 4 . 1 1 11 11 ARG CB C 13 29.76 0.05 . 1 . . . . . 209 ARG CB . 27316 1 5 . 1 1 11 11 ARG N N 15 121.06 0.05 . 1 . . . . . 209 ARG N . 27316 1 6 . 1 1 12 12 PHE H H 1 8.20 0.02 . 1 . . . . . 210 PHE H . 27316 1 7 . 1 1 12 12 PHE C C 13 173.50 0.05 . 1 . . . . . 210 PHE C . 27316 1 8 . 1 1 12 12 PHE CA C 13 56.08 0.05 . 1 . . . . . 210 PHE CA . 27316 1 9 . 1 1 12 12 PHE CB C 13 38.80 0.05 . 1 . . . . . 210 PHE CB . 27316 1 10 . 1 1 12 12 PHE N N 15 118.92 0.05 . 1 . . . . . 210 PHE N . 27316 1 11 . 1 1 13 13 ASN H H 1 8.46 0.02 . 1 . . . . . 211 ASN H . 27316 1 12 . 1 1 13 13 ASN C C 13 173.80 0.05 . 1 . . . . . 211 ASN C . 27316 1 13 . 1 1 13 13 ASN CA C 13 52.21 0.05 . 1 . . . . . 211 ASN CA . 27316 1 14 . 1 1 13 13 ASN CB C 13 40.44 0.05 . 1 . . . . . 211 ASN CB . 27316 1 15 . 1 1 13 13 ASN N N 15 119.34 0.05 . 1 . . . . . 211 ASN N . 27316 1 16 . 1 1 14 14 ARG H H 1 8.52 0.02 . 1 . . . . . 212 ARG H . 27316 1 17 . 1 1 14 14 ARG C C 13 176.20 0.05 . 1 . . . . . 212 ARG C . 27316 1 18 . 1 1 14 14 ARG CA C 13 54.72 0.05 . 1 . . . . . 212 ARG CA . 27316 1 19 . 1 1 14 14 ARG CB C 13 28.50 0.05 . 1 . . . . . 212 ARG CB . 27316 1 20 . 1 1 14 14 ARG N N 15 121.59 0.05 . 1 . . . . . 212 ARG N . 27316 1 21 . 1 1 15 15 TRP H H 1 8.30 0.02 . 1 . . . . . 213 TRP H . 27316 1 22 . 1 1 15 15 TRP HE1 H 1 10.47 0.02 . 1 . . . . . 213 TRP HE1 . 27316 1 23 . 1 1 15 15 TRP C C 13 175.70 0.05 . 1 . . . . . 213 TRP C . 27316 1 24 . 1 1 15 15 TRP CA C 13 56.79 0.05 . 1 . . . . . 213 TRP CA . 27316 1 25 . 1 1 15 15 TRP CB C 13 31.13 0.05 . 1 . . . . . 213 TRP CB . 27316 1 26 . 1 1 15 15 TRP N N 15 121.79 0.05 . 1 . . . . . 213 TRP N . 27316 1 27 . 1 1 15 15 TRP NE1 N 15 130.03 0.05 . 1 . . . . . 213 TRP NE1 . 27316 1 28 . 1 1 16 16 PHE H H 1 8.38 0.02 . 1 . . . . . 214 PHE H . 27316 1 29 . 1 1 16 16 PHE C C 13 174.60 0.05 . 1 . . . . . 214 PHE C . 27316 1 30 . 1 1 16 16 PHE CA C 13 58.15 0.05 . 1 . . . . . 214 PHE CA . 27316 1 31 . 1 1 16 16 PHE N N 15 121.01 0.05 . 1 . . . . . 214 PHE N . 27316 1 32 . 1 1 17 17 LEU H H 1 8.33 0.02 . 1 . . . . . 215 LEU H . 27316 1 33 . 1 1 17 17 LEU C C 13 177.60 0.05 . 1 . . . . . 215 LEU C . 27316 1 34 . 1 1 17 17 LEU CA C 13 55.21 0.05 . 1 . . . . . 215 LEU CA . 27316 1 35 . 1 1 17 17 LEU N N 15 119.21 0.05 . 1 . . . . . 215 LEU N . 27316 1 36 . 1 1 18 18 THR H H 1 8.34 0.02 . 1 . . . . . 216 THR H . 27316 1 37 . 1 1 18 18 THR C C 13 173.70 0.05 . 1 . . . . . 216 THR C . 27316 1 38 . 1 1 18 18 THR CA C 13 64.42 0.05 . 1 . . . . . 216 THR CA . 27316 1 39 . 1 1 18 18 THR N N 15 118.33 0.05 . 1 . . . . . 216 THR N . 27316 1 40 . 1 1 19 19 GLY H H 1 8.75 0.02 . 1 . . . . . 217 GLY H . 27316 1 41 . 1 1 19 19 GLY C C 13 172.20 0.05 . 1 . . . . . 217 GLY C . 27316 1 42 . 1 1 19 19 GLY CA C 13 44.86 0.05 . 1 . . . . . 217 GLY CA . 27316 1 43 . 1 1 19 19 GLY N N 15 109.22 0.05 . 1 . . . . . 217 GLY N . 27316 1 44 . 1 1 20 20 MET H H 1 8.52 0.02 . 1 . . . . . 218 MET H . 27316 1 45 . 1 1 20 20 MET C C 13 175.74 0.05 . 1 . . . . . 218 MET C . 27316 1 46 . 1 1 20 20 MET CA C 13 55.16 0.05 . 1 . . . . . 218 MET CA . 27316 1 47 . 1 1 20 20 MET N N 15 119.20 0.05 . 1 . . . . . 218 MET N . 27316 1 48 . 1 1 21 21 THR H H 1 7.94 0.02 . 1 . . . . . 219 THR H . 27316 1 49 . 1 1 21 21 THR C C 13 173.50 0.05 . 1 . . . . . 219 THR C . 27316 1 50 . 1 1 21 21 THR CA C 13 64.86 0.05 . 1 . . . . . 219 THR CA . 27316 1 51 . 1 1 21 21 THR N N 15 116.19 0.05 . 1 . . . . . 219 THR N . 27316 1 52 . 1 1 22 22 VAL H H 1 8.18 0.02 . 1 . . . . . 220 VAL H . 27316 1 53 . 1 1 22 22 VAL C C 13 174.70 0.05 . 1 . . . . . 220 VAL C . 27316 1 54 . 1 1 22 22 VAL CA C 13 64.15 0.05 . 1 . . . . . 220 VAL CA . 27316 1 55 . 1 1 22 22 VAL N N 15 120.42 0.05 . 1 . . . . . 220 VAL N . 27316 1 56 . 1 1 23 23 ALA H H 1 8.32 0.02 . 1 . . . . . 221 ALA H . 27316 1 57 . 1 1 23 23 ALA C C 13 176.60 0.05 . 1 . . . . . 221 ALA C . 27316 1 58 . 1 1 23 23 ALA CA C 13 52.49 0.05 . 1 . . . . . 221 ALA CA . 27316 1 59 . 1 1 23 23 ALA CB C 13 17.27 0.05 . 1 . . . . . 221 ALA CB . 27316 1 60 . 1 1 23 23 ALA N N 15 119.80 0.05 . 1 . . . . . 221 ALA N . 27316 1 61 . 1 1 24 24 GLY H H 1 8.53 0.02 . 1 . . . . . 222 GLY H . 27316 1 62 . 1 1 24 24 GLY C C 13 172.10 0.05 . 1 . . . . . 222 GLY C . 27316 1 63 . 1 1 24 24 GLY CA C 13 44.64 0.05 . 1 . . . . . 222 GLY CA . 27316 1 64 . 1 1 24 24 GLY N N 15 104.42 0.05 . 1 . . . . . 222 GLY N . 27316 1 65 . 1 1 25 25 VAL H H 1 8.33 0.02 . 1 . . . . . 223 VAL H . 27316 1 66 . 1 1 25 25 VAL C C 13 175.50 0.05 . 1 . . . . . 223 VAL C . 27316 1 67 . 1 1 25 25 VAL CA C 13 64.04 0.05 . 1 . . . . . 223 VAL CA . 27316 1 68 . 1 1 25 25 VAL CB C 13 29.81 0.05 . 1 . . . . . 223 VAL CB . 27316 1 69 . 1 1 25 25 VAL N N 15 121.06 0.05 . 1 . . . . . 223 VAL N . 27316 1 70 . 1 1 26 26 VAL H H 1 8.23 0.02 . 1 . . . . . 224 VAL H . 27316 1 71 . 1 1 26 26 VAL C C 13 176.20 0.05 . 1 . . . . . 224 VAL C . 27316 1 72 . 1 1 26 26 VAL CA C 13 63.66 0.05 . 1 . . . . . 224 VAL CA . 27316 1 73 . 1 1 26 26 VAL CB C 13 30.20 0.05 . 1 . . . . . 224 VAL CB . 27316 1 74 . 1 1 26 26 VAL N N 15 119.35 0.05 . 1 . . . . . 224 VAL N . 27316 1 75 . 1 1 27 27 LEU H H 1 8.55 0.02 . 1 . . . . . 225 LEU H . 27316 1 76 . 1 1 27 27 LEU C C 13 176.50 0.05 . 1 . . . . . 225 LEU C . 27316 1 77 . 1 1 27 27 LEU CA C 13 55.37 0.05 . 1 . . . . . 225 LEU CA . 27316 1 78 . 1 1 27 27 LEU CB C 13 41.26 0.05 . 1 . . . . . 225 LEU CB . 27316 1 79 . 1 1 27 27 LEU N N 15 120.68 0.05 . 1 . . . . . 225 LEU N . 27316 1 80 . 1 1 28 28 LEU H H 1 8.50 0.02 . 1 . . . . . 226 LEU H . 27316 1 81 . 1 1 28 28 LEU C C 13 176.30 0.05 . 1 . . . . . 226 LEU C . 27316 1 82 . 1 1 28 28 LEU CA C 13 55.16 0.05 . 1 . . . . . 226 LEU CA . 27316 1 83 . 1 1 28 28 LEU N N 15 118.96 0.05 . 1 . . . . . 226 LEU N . 27316 1 84 . 1 1 29 29 GLY H H 1 8.44 0.02 . 1 . . . . . 227 GLY H . 27316 1 85 . 1 1 29 29 GLY C C 13 173.10 0.05 . 1 . . . . . 227 GLY C . 27316 1 86 . 1 1 29 29 GLY CA C 13 44.15 0.05 . 1 . . . . . 227 GLY CA . 27316 1 87 . 1 1 29 29 GLY N N 15 105.28 0.05 . 1 . . . . . 227 GLY N . 27316 1 88 . 1 1 30 30 SER H H 1 8.03 0.02 . 1 . . . . . 228 SER H . 27316 1 89 . 1 1 30 30 SER C C 13 173.40 0.05 . 1 . . . . . 228 SER C . 27316 1 90 . 1 1 30 30 SER CA C 13 58.32 0.05 . 1 . . . . . 228 SER CA . 27316 1 91 . 1 1 30 30 SER N N 15 116.32 0.05 . 1 . . . . . 228 SER N . 27316 1 92 . 1 1 31 31 LEU H H 1 7.88 0.02 . 1 . . . . . 229 LEU H . 27316 1 93 . 1 1 31 31 LEU C C 13 175.30 0.05 . 1 . . . . . 229 LEU C . 27316 1 94 . 1 1 31 31 LEU CA C 13 54.07 0.05 . 1 . . . . . 229 LEU CA . 27316 1 95 . 1 1 31 31 LEU N N 15 121.22 0.05 . 1 . . . . . 229 LEU N . 27316 1 96 . 1 1 32 32 PHE H H 1 7.85 0.02 . 1 . . . . . 230 PHE H . 27316 1 97 . 1 1 32 32 PHE C C 13 173.30 0.05 . 1 . . . . . 230 PHE C . 27316 1 98 . 1 1 32 32 PHE CA C 13 55.16 0.05 . 1 . . . . . 230 PHE CA . 27316 1 99 . 1 1 32 32 PHE CB C 13 38.70 0.05 . 1 . . . . . 230 PHE CB . 27316 1 100 . 1 1 32 32 PHE N N 15 115.41 0.05 . 1 . . . . . 230 PHE N . 27316 1 101 . 1 1 33 33 SER H H 1 7.74 0.02 . 1 . . . . . 231 SER H . 27316 1 102 . 1 1 33 33 SER C C 13 171.80 0.05 . 1 . . . . . 231 SER C . 27316 1 103 . 1 1 33 33 SER CA C 13 55.97 0.05 . 1 . . . . . 231 SER CA . 27316 1 104 . 1 1 33 33 SER CB C 13 63.56 0.05 . 1 . . . . . 231 SER CB . 27316 1 105 . 1 1 33 33 SER N N 15 114.68 0.05 . 1 . . . . . 231 SER N . 27316 1 106 . 1 1 34 34 ARG H H 1 8.13 0.02 . 1 . . . . . 232 ARG H . 27316 1 107 . 1 1 34 34 ARG C C 13 172.90 0.05 . 1 . . . . . 232 ARG C . 27316 1 108 . 1 1 34 34 ARG CA C 13 53.30 0.05 . 1 . . . . . 232 ARG CA . 27316 1 109 . 1 1 34 34 ARG CB C 13 29.76 0.05 . 1 . . . . . 232 ARG CB . 27316 1 110 . 1 1 34 34 ARG N N 15 123.27 0.05 . 1 . . . . . 232 ARG N . 27316 1 111 . 1 1 35 35 LYS H H 1 7.93 0.02 . 1 . . . . . 233 LYS H . 27316 1 112 . 1 1 35 35 LYS CA C 13 54.88 0.05 . 1 . . . . . 233 LYS CA . 27316 1 113 . 1 1 35 35 LYS CB C 13 32.72 0.05 . 1 . . . . . 233 LYS CB . 27316 1 114 . 1 1 35 35 LYS N N 15 127.98 0.05 . 1 . . . . . 233 LYS N . 27316 1 stop_ save_