data_30256 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30256 _Entry.Title ; Brassica napus DGAT1 exosite ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-26 _Entry.Accession_date 2017-02-26 _Entry.Last_release_date 2017-06-19 _Entry.Original_release_date 2017-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.10 _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 . 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 J. Acedo J. Z. . . 30256 2 J. Vederas J. C. . . 30256 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID O-acyltransferase . 30256 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30256 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 31 30256 '1H chemical shifts' 234 30256 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 . . 2017-12-26 . original BMRB . 30256 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5UZL 'BMRB Entry Tracking System' 30256 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30256 _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 ; Brassica napus DGAT1 exosite ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 J. Acedo J. Z. . . 30256 1 2 J. Vederas J. C. . . 30256 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30256 _Assembly.ID 1 _Assembly.Name O-acyltransferase _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 entity_1 1 $entity_1 A A yes . . . . . . 30256 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30256 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name O-acyltransferase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NVDVRYTYRPSVPAHRRVRE SPLSSDAIFKQSH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 81-113' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3877.332 _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 1 ASN . 30256 1 2 2 VAL . 30256 1 3 3 ASP . 30256 1 4 4 VAL . 30256 1 5 5 ARG . 30256 1 6 6 TYR . 30256 1 7 7 THR . 30256 1 8 8 TYR . 30256 1 9 9 ARG . 30256 1 10 10 PRO . 30256 1 11 11 SER . 30256 1 12 12 VAL . 30256 1 13 13 PRO . 30256 1 14 14 ALA . 30256 1 15 15 HIS . 30256 1 16 16 ARG . 30256 1 17 17 ARG . 30256 1 18 18 VAL . 30256 1 19 19 ARG . 30256 1 20 20 GLU . 30256 1 21 21 SER . 30256 1 22 22 PRO . 30256 1 23 23 LEU . 30256 1 24 24 SER . 30256 1 25 25 SER . 30256 1 26 26 ASP . 30256 1 27 27 ALA . 30256 1 28 28 ILE . 30256 1 29 29 PHE . 30256 1 30 30 LYS . 30256 1 31 31 GLN . 30256 1 32 32 SER . 30256 1 33 33 HIS . 30256 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 . ASN 1 1 30256 1 . VAL 2 2 30256 1 . ASP 3 3 30256 1 . VAL 4 4 30256 1 . ARG 5 5 30256 1 . TYR 6 6 30256 1 . THR 7 7 30256 1 . TYR 8 8 30256 1 . ARG 9 9 30256 1 . PRO 10 10 30256 1 . SER 11 11 30256 1 . VAL 12 12 30256 1 . PRO 13 13 30256 1 . ALA 14 14 30256 1 . HIS 15 15 30256 1 . ARG 16 16 30256 1 . ARG 17 17 30256 1 . VAL 18 18 30256 1 . ARG 19 19 30256 1 . GLU 20 20 30256 1 . SER 21 21 30256 1 . PRO 22 22 30256 1 . LEU 23 23 30256 1 . SER 24 24 30256 1 . SER 25 25 30256 1 . ASP 26 26 30256 1 . ALA 27 27 30256 1 . ILE 28 28 30256 1 . PHE 29 29 30256 1 . LYS 30 30 30256 1 . GLN 31 31 30256 1 . SER 32 32 30256 1 . HIS 33 33 30256 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 30256 _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 . 3708 organism . 'Brassica napus' Rape . . Eukaryota Viridiplantae Brassica napus . . . . . . . . . . . 'BnaCnng52810D, GSBRNA2T00056829001' . 30256 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 30256 _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' . . 562 Escherichia coli . . . . . . . . . . 30256 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30256 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM NA BnaDGAT1 exosite, 25 mM NA sodium chloride, 30 mM NA sodium phosphate, 0.01 % NA DSS, 90% H2O/10% D2O ; _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 'BnaDGAT1 exosite' 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 30256 1 2 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 30256 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 30256 1 4 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 30256 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 30256 _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' 55 . mM 30256 1 pH 6.3 . pH 30256 1 pressure 1 . atm 30256 1 temperature 300 . K 30256 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30256 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30256 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30256 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30256 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30256 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30256 3 'peak picking' 30256 3 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30256 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30256 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30256 1 'structure calculation' 30256 1 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 30256 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30256 _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 NMR_spectrometer_1 Varian VNMRS . 700 . . . 30256 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 30256 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30256 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30256 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30256 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30256 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 30256 _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 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30256 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 30256 _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 $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 1 '2D NOESY' . . . 30256 1 2 '2D TOCSY' . . . 30256 1 3 '2D DQF-COSY' . . . 30256 1 4 '2D 1H-15N HSQC' . . . 30256 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 1 1 ASN HA H 1 4.4030 0.0000 . 1 . . . . A 1 ASN HA . 30256 1 2 . 1 1 1 1 ASN HB2 H 1 2.8990 0.0000 . 1 . . . . A 1 ASN HB2 . 30256 1 3 . 1 1 1 1 ASN HB3 H 1 2.9810 0.0000 . 1 . . . . A 1 ASN HB3 . 30256 1 4 . 1 1 1 1 ASN HD21 H 1 7.5520 0.0000 . 1 . . . . A 1 ASN HD21 . 30256 1 5 . 1 1 1 1 ASN HD22 H 1 6.8660 0.0000 . 1 . . . . A 1 ASN HD22 . 30256 1 6 . 1 1 1 1 ASN ND2 N 15 112.3390 0.0000 . 1 . . . . A 1 ASN ND2 . 30256 1 7 . 1 1 2 2 VAL H H 1 8.5510 0.0000 . 1 . . . . A 2 VAL H . 30256 1 8 . 1 1 2 2 VAL HA H 1 4.1790 0.0000 . 1 . . . . A 2 VAL HA . 30256 1 9 . 1 1 2 2 VAL HB H 1 2.0790 0.0000 . 1 . . . . A 2 VAL HB . 30256 1 10 . 1 1 2 2 VAL HG11 H 1 0.9310 0.0000 . 1 . . . . A 2 VAL HG11 . 30256 1 11 . 1 1 2 2 VAL HG12 H 1 0.9310 0.0000 . 1 . . . . A 2 VAL HG12 . 30256 1 12 . 1 1 2 2 VAL HG13 H 1 0.9310 0.0000 . 1 . . . . A 2 VAL HG13 . 30256 1 13 . 1 1 2 2 VAL HG21 H 1 0.9310 0.0000 . 1 . . . . A 2 VAL HG21 . 30256 1 14 . 1 1 2 2 VAL HG22 H 1 0.9310 0.0000 . 1 . . . . A 2 VAL HG22 . 30256 1 15 . 1 1 2 2 VAL HG23 H 1 0.9310 0.0000 . 1 . . . . A 2 VAL HG23 . 30256 1 16 . 1 1 2 2 VAL N N 15 120.2360 0.0000 . 1 . . . . A 2 VAL N . 30256 1 17 . 1 1 3 3 ASP H H 1 8.5070 0.0000 . 1 . . . . A 3 ASP H . 30256 1 18 . 1 1 3 3 ASP HA H 1 4.6730 0.0000 . 1 . . . . A 3 ASP HA . 30256 1 19 . 1 1 3 3 ASP HB2 H 1 2.7870 0.0000 . 1 . . . . A 3 ASP HB2 . 30256 1 20 . 1 1 3 3 ASP HB3 H 1 2.6260 0.0000 . 1 . . . . A 3 ASP HB3 . 30256 1 21 . 1 1 3 3 ASP N N 15 124.7980 0.0000 . 1 . . . . A 3 ASP N . 30256 1 22 . 1 1 4 4 VAL H H 1 8.1650 0.0000 . 1 . . . . A 4 VAL H . 30256 1 23 . 1 1 4 4 VAL HA H 1 4.0790 0.0000 . 1 . . . . A 4 VAL HA . 30256 1 24 . 1 1 4 4 VAL HB H 1 2.0870 0.0000 . 1 . . . . A 4 VAL HB . 30256 1 25 . 1 1 4 4 VAL HG11 H 1 0.8610 0.0000 . 1 . . . . A 4 VAL HG11 . 30256 1 26 . 1 1 4 4 VAL HG12 H 1 0.8610 0.0000 . 1 . . . . A 4 VAL HG12 . 30256 1 27 . 1 1 4 4 VAL HG13 H 1 0.8610 0.0000 . 1 . . . . A 4 VAL HG13 . 30256 1 28 . 1 1 4 4 VAL HG21 H 1 0.9030 0.0000 . 1 . . . . A 4 VAL HG21 . 30256 1 29 . 1 1 4 4 VAL HG22 H 1 0.9030 0.0000 . 1 . . . . A 4 VAL HG22 . 30256 1 30 . 1 1 4 4 VAL HG23 H 1 0.9030 0.0000 . 1 . . . . A 4 VAL HG23 . 30256 1 31 . 1 1 4 4 VAL N N 15 121.5490 0.0000 . 1 . . . . A 4 VAL N . 30256 1 32 . 1 1 5 5 ARG H H 1 8.3230 0.0000 . 1 . . . . A 5 ARG H . 30256 1 33 . 1 1 5 5 ARG HA H 1 4.2300 0.0000 . 1 . . . . A 5 ARG HA . 30256 1 34 . 1 1 5 5 ARG HB2 H 1 1.6530 0.0000 . 1 . . . . A 5 ARG HB2 . 30256 1 35 . 1 1 5 5 ARG HB3 H 1 1.6520 0.0000 . 1 . . . . A 5 ARG HB3 . 30256 1 36 . 1 1 5 5 ARG HG2 H 1 1.5200 0.0000 . 1 . . . . A 5 ARG HG2 . 30256 1 37 . 1 1 5 5 ARG HG3 H 1 1.5020 0.0000 . 1 . . . . A 5 ARG HG3 . 30256 1 38 . 1 1 5 5 ARG HD2 H 1 3.1150 0.0000 . 1 . . . . A 5 ARG HD2 . 30256 1 39 . 1 1 5 5 ARG HD3 H 1 3.1510 0.0000 . 1 . . . . A 5 ARG HD3 . 30256 1 40 . 1 1 5 5 ARG HE H 1 7.3020 0.0000 . 1 . . . . A 5 ARG HE . 30256 1 41 . 1 1 5 5 ARG N N 15 123.6660 0.0000 . 1 . . . . A 5 ARG N . 30256 1 42 . 1 1 6 6 TYR H H 1 8.1090 0.0000 . 1 . . . . A 6 TYR H . 30256 1 43 . 1 1 6 6 TYR HA H 1 4.6240 0.0000 . 1 . . . . A 6 TYR HA . 30256 1 44 . 1 1 6 6 TYR HB2 H 1 3.0330 0.0000 . 1 . . . . A 6 TYR HB2 . 30256 1 45 . 1 1 6 6 TYR HB3 H 1 2.8950 0.0000 . 1 . . . . A 6 TYR HB3 . 30256 1 46 . 1 1 6 6 TYR HD1 H 1 7.0900 0.0000 . 1 . . . . A 6 TYR HD1 . 30256 1 47 . 1 1 6 6 TYR HD2 H 1 7.0860 0.0000 . 1 . . . . A 6 TYR HD2 . 30256 1 48 . 1 1 6 6 TYR HE1 H 1 6.8010 0.0000 . 1 . . . . A 6 TYR HE1 . 30256 1 49 . 1 1 6 6 TYR HE2 H 1 6.8000 0.0000 . 1 . . . . A 6 TYR HE2 . 30256 1 50 . 1 1 6 6 TYR N N 15 120.8280 0.0000 . 1 . . . . A 6 TYR N . 30256 1 51 . 1 1 7 7 THR H H 1 7.9220 0.0000 . 1 . . . . A 7 THR H . 30256 1 52 . 1 1 7 7 THR HA H 1 4.2350 0.0000 . 1 . . . . A 7 THR HA . 30256 1 53 . 1 1 7 7 THR HB H 1 4.0620 0.0000 . 1 . . . . A 7 THR HB . 30256 1 54 . 1 1 7 7 THR HG21 H 1 1.1060 0.0000 . 1 . . . . A 7 THR HG21 . 30256 1 55 . 1 1 7 7 THR HG22 H 1 1.1060 0.0000 . 1 . . . . A 7 THR HG22 . 30256 1 56 . 1 1 7 7 THR HG23 H 1 1.1060 0.0000 . 1 . . . . A 7 THR HG23 . 30256 1 57 . 1 1 7 7 THR N N 15 116.4130 0.0000 . 1 . . . . A 7 THR N . 30256 1 58 . 1 1 8 8 TYR H H 1 8.1480 0.0000 . 1 . . . . A 8 TYR H . 30256 1 59 . 1 1 8 8 TYR HA H 1 4.5110 0.0000 . 1 . . . . A 8 TYR HA . 30256 1 60 . 1 1 8 8 TYR HB2 H 1 2.9370 0.0000 . 1 . . . . A 8 TYR HB2 . 30256 1 61 . 1 1 8 8 TYR HB3 H 1 3.0000 0.0000 . 1 . . . . A 8 TYR HB3 . 30256 1 62 . 1 1 8 8 TYR HD1 H 1 7.1120 0.0000 . 1 . . . . A 8 TYR HD1 . 30256 1 63 . 1 1 8 8 TYR HD2 H 1 7.1140 0.0000 . 1 . . . . A 8 TYR HD2 . 30256 1 64 . 1 1 8 8 TYR HE1 H 1 6.8070 0.0000 . 1 . . . . A 8 TYR HE1 . 30256 1 65 . 1 1 8 8 TYR HE2 H 1 6.8080 0.0000 . 1 . . . . A 8 TYR HE2 . 30256 1 66 . 1 1 8 8 TYR N N 15 123.6320 0.0000 . 1 . . . . A 8 TYR N . 30256 1 67 . 1 1 9 9 ARG H H 1 8.0470 0.0000 . 1 . . . . A 9 ARG H . 30256 1 68 . 1 1 9 9 ARG HA H 1 4.5380 0.0000 . 1 . . . . A 9 ARG HA . 30256 1 69 . 1 1 9 9 ARG HB2 H 1 1.6230 0.0000 . 1 . . . . A 9 ARG HB2 . 30256 1 70 . 1 1 9 9 ARG HB3 H 1 1.7340 0.0000 . 1 . . . . A 9 ARG HB3 . 30256 1 71 . 1 1 9 9 ARG HG2 H 1 1.5530 0.0000 . 1 . . . . A 9 ARG HG2 . 30256 1 72 . 1 1 9 9 ARG HG3 H 1 1.5510 0.0000 . 1 . . . . A 9 ARG HG3 . 30256 1 73 . 1 1 9 9 ARG HD2 H 1 3.1450 0.0000 . 1 . . . . A 9 ARG HD2 . 30256 1 74 . 1 1 9 9 ARG HD3 H 1 3.1450 0.0000 . 1 . . . . A 9 ARG HD3 . 30256 1 75 . 1 1 9 9 ARG HE H 1 7.1230 0.0000 . 1 . . . . A 9 ARG HE . 30256 1 76 . 1 1 9 9 ARG N N 15 125.6150 0.0000 . 1 . . . . A 9 ARG N . 30256 1 77 . 1 1 10 10 PRO HA H 1 4.3540 0.0000 . 1 . . . . A 10 PRO HA . 30256 1 78 . 1 1 10 10 PRO HB2 H 1 2.2960 0.0000 . 1 . . . . A 10 PRO HB2 . 30256 1 79 . 1 1 10 10 PRO HB3 H 1 1.9180 0.0000 . 1 . . . . A 10 PRO HB3 . 30256 1 80 . 1 1 10 10 PRO HG2 H 1 1.9840 0.0000 . 1 . . . . A 10 PRO HG2 . 30256 1 81 . 1 1 10 10 PRO HG3 H 1 1.9820 0.0000 . 1 . . . . A 10 PRO HG3 . 30256 1 82 . 1 1 10 10 PRO HD2 H 1 3.5580 0.0000 . 1 . . . . A 10 PRO HD2 . 30256 1 83 . 1 1 10 10 PRO HD3 H 1 3.5100 0.0000 . 1 . . . . A 10 PRO HD3 . 30256 1 84 . 1 1 11 11 SER H H 1 8.3820 0.0000 . 1 . . . . A 11 SER H . 30256 1 85 . 1 1 11 11 SER HA H 1 4.4290 0.0000 . 1 . . . . A 11 SER HA . 30256 1 86 . 1 1 11 11 SER HB2 H 1 3.8400 0.0000 . 1 . . . . A 11 SER HB2 . 30256 1 87 . 1 1 11 11 SER HB3 H 1 3.8600 0.0000 . 1 . . . . A 11 SER HB3 . 30256 1 88 . 1 1 11 11 SER N N 15 118.3820 0.0000 . 1 . . . . A 11 SER N . 30256 1 89 . 1 1 12 12 VAL H H 1 8.1400 0.0000 . 1 . . . . A 12 VAL H . 30256 1 90 . 1 1 12 12 VAL HA H 1 4.4500 0.0000 . 1 . . . . A 12 VAL HA . 30256 1 91 . 1 1 12 12 VAL HB H 1 2.0570 0.0000 . 1 . . . . A 12 VAL HB . 30256 1 92 . 1 1 12 12 VAL HG11 H 1 0.9590 0.0000 . 1 . . . . A 12 VAL HG11 . 30256 1 93 . 1 1 12 12 VAL HG12 H 1 0.9590 0.0000 . 1 . . . . A 12 VAL HG12 . 30256 1 94 . 1 1 12 12 VAL HG13 H 1 0.9590 0.0000 . 1 . . . . A 12 VAL HG13 . 30256 1 95 . 1 1 12 12 VAL HG21 H 1 0.9140 0.0000 . 1 . . . . A 12 VAL HG21 . 30256 1 96 . 1 1 12 12 VAL HG22 H 1 0.9140 0.0000 . 1 . . . . A 12 VAL HG22 . 30256 1 97 . 1 1 12 12 VAL HG23 H 1 0.9140 0.0000 . 1 . . . . A 12 VAL HG23 . 30256 1 98 . 1 1 12 12 VAL N N 15 123.1010 0.0000 . 1 . . . . A 12 VAL N . 30256 1 99 . 1 1 13 13 PRO HA H 1 4.3600 0.0000 . 1 . . . . A 13 PRO HA . 30256 1 100 . 1 1 13 13 PRO HB2 H 1 2.2820 0.0000 . 1 . . . . A 13 PRO HB2 . 30256 1 101 . 1 1 13 13 PRO HB3 H 1 1.8370 0.0000 . 1 . . . . A 13 PRO HB3 . 30256 1 102 . 1 1 13 13 PRO HG2 H 1 1.9800 0.0000 . 1 . . . . A 13 PRO HG2 . 30256 1 103 . 1 1 13 13 PRO HG3 H 1 2.0240 0.0000 . 1 . . . . A 13 PRO HG3 . 30256 1 104 . 1 1 13 13 PRO HD2 H 1 3.8610 0.0000 . 1 . . . . A 13 PRO HD2 . 30256 1 105 . 1 1 13 13 PRO HD3 H 1 3.6640 0.0000 . 1 . . . . A 13 PRO HD3 . 30256 1 106 . 1 1 14 14 ALA H H 1 8.3550 0.0000 . 1 . . . . A 14 ALA H . 30256 1 107 . 1 1 14 14 ALA HA H 1 4.2180 0.0000 . 1 . . . . A 14 ALA HA . 30256 1 108 . 1 1 14 14 ALA HB1 H 1 1.3270 0.0000 . 1 . . . . A 14 ALA HB1 . 30256 1 109 . 1 1 14 14 ALA HB2 H 1 1.3270 0.0000 . 1 . . . . A 14 ALA HB2 . 30256 1 110 . 1 1 14 14 ALA HB3 H 1 1.3270 0.0000 . 1 . . . . A 14 ALA HB3 . 30256 1 111 . 1 1 14 14 ALA N N 15 124.0980 0.0000 . 1 . . . . A 14 ALA N . 30256 1 112 . 1 1 15 15 HIS H H 1 8.4400 0.0000 . 1 . . . . A 15 HIS H . 30256 1 113 . 1 1 15 15 HIS HA H 1 4.6790 0.0000 . 1 . . . . A 15 HIS HA . 30256 1 114 . 1 1 15 15 HIS HB2 H 1 3.2510 0.0000 . 1 . . . . A 15 HIS HB2 . 30256 1 115 . 1 1 15 15 HIS HB3 H 1 3.1620 0.0000 . 1 . . . . A 15 HIS HB3 . 30256 1 116 . 1 1 15 15 HIS HD1 H 1 8.5910 0.0000 . 1 . . . . A 15 HIS HD1 . 30256 1 117 . 1 1 15 15 HIS HE1 H 1 7.2790 0.0000 . 1 . . . . A 15 HIS HE1 . 30256 1 118 . 1 1 15 15 HIS N N 15 117.2750 0.0000 . 1 . . . . A 15 HIS N . 30256 1 119 . 1 1 16 16 ARG H H 1 8.3760 0.0000 . 1 . . . . A 16 ARG H . 30256 1 120 . 1 1 16 16 ARG HA H 1 4.3230 0.0000 . 1 . . . . A 16 ARG HA . 30256 1 121 . 1 1 16 16 ARG HB2 H 1 1.8060 0.0000 . 1 . . . . A 16 ARG HB2 . 30256 1 122 . 1 1 16 16 ARG HB3 H 1 1.7320 0.0000 . 1 . . . . A 16 ARG HB3 . 30256 1 123 . 1 1 16 16 ARG HG2 H 1 1.6190 0.0000 . 1 . . . . A 16 ARG HG2 . 30256 1 124 . 1 1 16 16 ARG HG3 H 1 1.5870 0.0000 . 1 . . . . A 16 ARG HG3 . 30256 1 125 . 1 1 16 16 ARG HD2 H 1 3.1830 0.0000 . 1 . . . . A 16 ARG HD2 . 30256 1 126 . 1 1 16 16 ARG HD3 H 1 3.1840 0.0000 . 1 . . . . A 16 ARG HD3 . 30256 1 127 . 1 1 16 16 ARG HE H 1 7.1960 0.0000 . 1 . . . . A 16 ARG HE . 30256 1 128 . 1 1 16 16 ARG N N 15 122.7200 0.0000 . 1 . . . . A 16 ARG N . 30256 1 129 . 1 1 17 17 ARG H H 1 8.5050 0.0000 . 1 . . . . A 17 ARG H . 30256 1 130 . 1 1 17 17 ARG HA H 1 4.3610 0.0000 . 1 . . . . A 17 ARG HA . 30256 1 131 . 1 1 17 17 ARG HB2 H 1 1.8220 0.0000 . 1 . . . . A 17 ARG HB2 . 30256 1 132 . 1 1 17 17 ARG HB3 H 1 1.7530 0.0000 . 1 . . . . A 17 ARG HB3 . 30256 1 133 . 1 1 17 17 ARG HG2 H 1 1.6580 0.0000 . 1 . . . . A 17 ARG HG2 . 30256 1 134 . 1 1 17 17 ARG HG3 H 1 1.5980 0.0000 . 1 . . . . A 17 ARG HG3 . 30256 1 135 . 1 1 17 17 ARG HD2 H 1 3.1980 0.0000 . 1 . . . . A 17 ARG HD2 . 30256 1 136 . 1 1 17 17 ARG HD3 H 1 3.1980 0.0000 . 1 . . . . A 17 ARG HD3 . 30256 1 137 . 1 1 17 17 ARG HE H 1 7.2180 0.0000 . 1 . . . . A 17 ARG HE . 30256 1 138 . 1 1 17 17 ARG N N 15 123.5540 0.0000 . 1 . . . . A 17 ARG N . 30256 1 139 . 1 1 18 18 VAL H H 1 8.2400 0.0000 . 1 . . . . A 18 VAL H . 30256 1 140 . 1 1 18 18 VAL HA H 1 4.1170 0.0000 . 1 . . . . A 18 VAL HA . 30256 1 141 . 1 1 18 18 VAL HB H 1 2.0590 0.0000 . 1 . . . . A 18 VAL HB . 30256 1 142 . 1 1 18 18 VAL HG11 H 1 0.9260 0.0000 . 1 . . . . A 18 VAL HG11 . 30256 1 143 . 1 1 18 18 VAL HG12 H 1 0.9260 0.0000 . 1 . . . . A 18 VAL HG12 . 30256 1 144 . 1 1 18 18 VAL HG13 H 1 0.9260 0.0000 . 1 . . . . A 18 VAL HG13 . 30256 1 145 . 1 1 18 18 VAL HG21 H 1 0.9270 0.0000 . 1 . . . . A 18 VAL HG21 . 30256 1 146 . 1 1 18 18 VAL HG22 H 1 0.9270 0.0000 . 1 . . . . A 18 VAL HG22 . 30256 1 147 . 1 1 18 18 VAL HG23 H 1 0.9270 0.0000 . 1 . . . . A 18 VAL HG23 . 30256 1 148 . 1 1 18 18 VAL N N 15 122.1850 0.0000 . 1 . . . . A 18 VAL N . 30256 1 149 . 1 1 19 19 ARG H H 1 8.4220 0.0000 . 1 . . . . A 19 ARG H . 30256 1 150 . 1 1 19 19 ARG HA H 1 4.3140 0.0000 . 1 . . . . A 19 ARG HA . 30256 1 151 . 1 1 19 19 ARG HB2 H 1 1.8340 0.0000 . 1 . . . . A 19 ARG HB2 . 30256 1 152 . 1 1 19 19 ARG HB3 H 1 1.7570 0.0000 . 1 . . . . A 19 ARG HB3 . 30256 1 153 . 1 1 19 19 ARG HG2 H 1 1.6460 0.0000 . 1 . . . . A 19 ARG HG2 . 30256 1 154 . 1 1 19 19 ARG HG3 H 1 1.6060 0.0000 . 1 . . . . A 19 ARG HG3 . 30256 1 155 . 1 1 19 19 ARG HD2 H 1 3.1960 0.0000 . 1 . . . . A 19 ARG HD2 . 30256 1 156 . 1 1 19 19 ARG HD3 H 1 3.1950 0.0000 . 1 . . . . A 19 ARG HD3 . 30256 1 157 . 1 1 19 19 ARG HE H 1 7.2080 0.0000 . 1 . . . . A 19 ARG HE . 30256 1 158 . 1 1 19 19 ARG N N 15 124.7170 0.0000 . 1 . . . . A 19 ARG N . 30256 1 159 . 1 1 20 20 GLU H H 1 8.4850 0.0000 . 1 . . . . A 20 GLU H . 30256 1 160 . 1 1 20 20 GLU HA H 1 4.3530 0.0000 . 1 . . . . A 20 GLU HA . 30256 1 161 . 1 1 20 20 GLU HB2 H 1 1.9380 0.0000 . 1 . . . . A 20 GLU HB2 . 30256 1 162 . 1 1 20 20 GLU HB3 H 1 2.0720 0.0000 . 1 . . . . A 20 GLU HB3 . 30256 1 163 . 1 1 20 20 GLU HG2 H 1 2.3480 0.0000 . 1 . . . . A 20 GLU HG2 . 30256 1 164 . 1 1 20 20 GLU HG3 H 1 2.3470 0.0000 . 1 . . . . A 20 GLU HG3 . 30256 1 165 . 1 1 20 20 GLU N N 15 122.7040 0.0000 . 1 . . . . A 20 GLU N . 30256 1 166 . 1 1 21 21 SER H H 1 8.3610 0.0000 . 1 . . . . A 21 SER H . 30256 1 167 . 1 1 21 21 SER HA H 1 4.4000 0.0000 . 1 . . . . A 21 SER HA . 30256 1 168 . 1 1 21 21 SER HB2 H 1 3.8260 0.0000 . 1 . . . . A 21 SER HB2 . 30256 1 169 . 1 1 21 21 SER HB3 H 1 3.8280 0.0000 . 1 . . . . A 21 SER HB3 . 30256 1 170 . 1 1 21 21 SER N N 15 116.4430 0.0000 . 1 . . . . A 21 SER N . 30256 1 171 . 1 1 22 22 PRO HA H 1 4.4570 0.0000 . 1 . . . . A 22 PRO HA . 30256 1 172 . 1 1 22 22 PRO HB2 H 1 2.3040 0.0000 . 1 . . . . A 22 PRO HB2 . 30256 1 173 . 1 1 22 22 PRO HB3 H 1 1.9400 0.0000 . 1 . . . . A 22 PRO HB3 . 30256 1 174 . 1 1 22 22 PRO HG2 H 1 2.0140 0.0000 . 1 . . . . A 22 PRO HG2 . 30256 1 175 . 1 1 22 22 PRO HG3 H 1 2.0150 0.0000 . 1 . . . . A 22 PRO HG3 . 30256 1 176 . 1 1 22 22 PRO HD2 H 1 3.8110 0.0000 . 1 . . . . A 22 PRO HD2 . 30256 1 177 . 1 1 22 22 PRO HD3 H 1 3.7410 0.0000 . 1 . . . . A 22 PRO HD3 . 30256 1 178 . 1 1 23 23 LEU H H 1 8.2770 0.0000 . 1 . . . . A 23 LEU H . 30256 1 179 . 1 1 23 23 LEU HA H 1 4.3490 0.0000 . 1 . . . . A 23 LEU HA . 30256 1 180 . 1 1 23 23 LEU HB2 H 1 1.6010 0.0000 . 1 . . . . A 23 LEU HB2 . 30256 1 181 . 1 1 23 23 LEU HB3 H 1 1.6320 0.0000 . 1 . . . . A 23 LEU HB3 . 30256 1 182 . 1 1 23 23 LEU HG H 1 1.6370 0.0000 . 1 . . . . A 23 LEU HG . 30256 1 183 . 1 1 23 23 LEU HD11 H 1 0.9240 0.0000 . 1 . . . . A 23 LEU HD11 . 30256 1 184 . 1 1 23 23 LEU HD12 H 1 0.9240 0.0000 . 1 . . . . A 23 LEU HD12 . 30256 1 185 . 1 1 23 23 LEU HD13 H 1 0.9240 0.0000 . 1 . . . . A 23 LEU HD13 . 30256 1 186 . 1 1 23 23 LEU HD21 H 1 0.8760 0.0000 . 1 . . . . A 23 LEU HD21 . 30256 1 187 . 1 1 23 23 LEU HD22 H 1 0.8760 0.0000 . 1 . . . . A 23 LEU HD22 . 30256 1 188 . 1 1 23 23 LEU HD23 H 1 0.8760 0.0000 . 1 . . . . A 23 LEU HD23 . 30256 1 189 . 1 1 23 23 LEU N N 15 121.6570 0.0000 . 1 . . . . A 23 LEU N . 30256 1 190 . 1 1 24 24 SER H H 1 8.2360 0.0000 . 1 . . . . A 24 SER H . 30256 1 191 . 1 1 24 24 SER HA H 1 4.4400 0.0000 . 1 . . . . A 24 SER HA . 30256 1 192 . 1 1 24 24 SER HB2 H 1 3.9470 0.0000 . 1 . . . . A 24 SER HB2 . 30256 1 193 . 1 1 24 24 SER HB3 H 1 3.8700 0.0000 . 1 . . . . A 24 SER HB3 . 30256 1 194 . 1 1 24 24 SER N N 15 116.4390 0.0000 . 1 . . . . A 24 SER N . 30256 1 195 . 1 1 25 25 SER H H 1 8.3510 0.0000 . 1 . . . . A 25 SER H . 30256 1 196 . 1 1 25 25 SER HA H 1 4.4280 0.0000 . 1 . . . . A 25 SER HA . 30256 1 197 . 1 1 25 25 SER HB2 H 1 3.9510 0.0000 . 1 . . . . A 25 SER HB2 . 30256 1 198 . 1 1 25 25 SER HB3 H 1 3.8650 0.0000 . 1 . . . . A 25 SER HB3 . 30256 1 199 . 1 1 25 25 SER N N 15 117.4670 0.0000 . 1 . . . . A 25 SER N . 30256 1 200 . 1 1 26 26 ASP H H 1 8.3000 0.0000 . 1 . . . . A 26 ASP H . 30256 1 201 . 1 1 26 26 ASP HA H 1 4.6240 0.0000 . 1 . . . . A 26 ASP HA . 30256 1 202 . 1 1 26 26 ASP HB2 H 1 2.7630 0.0000 . 1 . . . . A 26 ASP HB2 . 30256 1 203 . 1 1 26 26 ASP HB3 H 1 2.7360 0.0000 . 1 . . . . A 26 ASP HB3 . 30256 1 204 . 1 1 26 26 ASP N N 15 121.6780 0.0000 . 1 . . . . A 26 ASP N . 30256 1 205 . 1 1 27 27 ALA H H 1 8.0580 0.0000 . 1 . . . . A 27 ALA H . 30256 1 206 . 1 1 27 27 ALA HA H 1 4.2370 0.0000 . 1 . . . . A 27 ALA HA . 30256 1 207 . 1 1 27 27 ALA HB1 H 1 1.3670 0.0000 . 1 . . . . A 27 ALA HB1 . 30256 1 208 . 1 1 27 27 ALA HB2 H 1 1.3670 0.0000 . 1 . . . . A 27 ALA HB2 . 30256 1 209 . 1 1 27 27 ALA HB3 H 1 1.3670 0.0000 . 1 . . . . A 27 ALA HB3 . 30256 1 210 . 1 1 27 27 ALA N N 15 123.8250 0.0000 . 1 . . . . A 27 ALA N . 30256 1 211 . 1 1 28 28 ILE H H 1 7.8670 0.0000 . 1 . . . . A 28 ILE H . 30256 1 212 . 1 1 28 28 ILE HA H 1 4.0320 0.0000 . 1 . . . . A 28 ILE HA . 30256 1 213 . 1 1 28 28 ILE HB H 1 1.7760 0.0000 . 1 . . . . A 28 ILE HB . 30256 1 214 . 1 1 28 28 ILE HG12 H 1 1.1130 0.0000 . 1 . . . . A 28 ILE HG12 . 30256 1 215 . 1 1 28 28 ILE HG13 H 1 1.3500 0.0000 . 1 . . . . A 28 ILE HG13 . 30256 1 216 . 1 1 28 28 ILE HG21 H 1 0.7620 0.0000 . 1 . . . . A 28 ILE HG21 . 30256 1 217 . 1 1 28 28 ILE HG22 H 1 0.7620 0.0000 . 1 . . . . A 28 ILE HG22 . 30256 1 218 . 1 1 28 28 ILE HG23 H 1 0.7620 0.0000 . 1 . . . . A 28 ILE HG23 . 30256 1 219 . 1 1 28 28 ILE HD11 H 1 0.8060 0.0000 . 1 . . . . A 28 ILE HD11 . 30256 1 220 . 1 1 28 28 ILE HD12 H 1 0.8060 0.0000 . 1 . . . . A 28 ILE HD12 . 30256 1 221 . 1 1 28 28 ILE HD13 H 1 0.8060 0.0000 . 1 . . . . A 28 ILE HD13 . 30256 1 222 . 1 1 28 28 ILE N N 15 118.6450 0.0000 . 1 . . . . A 28 ILE N . 30256 1 223 . 1 1 29 29 PHE H H 1 8.1400 0.0000 . 1 . . . . A 29 PHE H . 30256 1 224 . 1 1 29 29 PHE HA H 1 4.6090 0.0000 . 1 . . . . A 29 PHE HA . 30256 1 225 . 1 1 29 29 PHE HB2 H 1 3.1380 0.0000 . 1 . . . . A 29 PHE HB2 . 30256 1 226 . 1 1 29 29 PHE HB3 H 1 3.0440 0.0000 . 1 . . . . A 29 PHE HB3 . 30256 1 227 . 1 1 29 29 PHE HD1 H 1 7.2440 0.0000 . 1 . . . . A 29 PHE HD1 . 30256 1 228 . 1 1 29 29 PHE HD2 H 1 7.2450 0.0000 . 1 . . . . A 29 PHE HD2 . 30256 1 229 . 1 1 29 29 PHE HE1 H 1 7.3270 0.0000 . 1 . . . . A 29 PHE HE1 . 30256 1 230 . 1 1 29 29 PHE HE2 H 1 7.3280 0.0000 . 1 . . . . A 29 PHE HE2 . 30256 1 231 . 1 1 29 29 PHE HZ H 1 7.2740 0.0000 . 1 . . . . A 29 PHE HZ . 30256 1 232 . 1 1 29 29 PHE N N 15 123.4110 0.0000 . 1 . . . . A 29 PHE N . 30256 1 233 . 1 1 30 30 LYS H H 1 8.0870 0.0000 . 1 . . . . A 30 LYS H . 30256 1 234 . 1 1 30 30 LYS HA H 1 4.2540 0.0000 . 1 . . . . A 30 LYS HA . 30256 1 235 . 1 1 30 30 LYS HB2 H 1 1.7990 0.0000 . 1 . . . . A 30 LYS HB2 . 30256 1 236 . 1 1 30 30 LYS HB3 H 1 1.7110 0.0000 . 1 . . . . A 30 LYS HB3 . 30256 1 237 . 1 1 30 30 LYS HG2 H 1 1.4090 0.0000 . 1 . . . . A 30 LYS HG2 . 30256 1 238 . 1 1 30 30 LYS HG3 H 1 1.3680 0.0000 . 1 . . . . A 30 LYS HG3 . 30256 1 239 . 1 1 30 30 LYS HD2 H 1 1.6570 0.0000 . 1 . . . . A 30 LYS HD2 . 30256 1 240 . 1 1 30 30 LYS HD3 H 1 1.6570 0.0000 . 1 . . . . A 30 LYS HD3 . 30256 1 241 . 1 1 30 30 LYS HE2 H 1 2.9780 0.0000 . 1 . . . . A 30 LYS HE2 . 30256 1 242 . 1 1 30 30 LYS HE3 H 1 2.9780 0.0000 . 1 . . . . A 30 LYS HE3 . 30256 1 243 . 1 1 30 30 LYS N N 15 122.9370 0.0000 . 1 . . . . A 30 LYS N . 30256 1 244 . 1 1 31 31 GLN H H 1 8.2470 0.0000 . 1 . . . . A 31 GLN H . 30256 1 245 . 1 1 31 31 GLN HA H 1 4.3080 0.0000 . 1 . . . . A 31 GLN HA . 30256 1 246 . 1 1 31 31 GLN HB2 H 1 2.1030 0.0000 . 1 . . . . A 31 GLN HB2 . 30256 1 247 . 1 1 31 31 GLN HB3 H 1 1.9880 0.0000 . 1 . . . . A 31 GLN HB3 . 30256 1 248 . 1 1 31 31 GLN HG2 H 1 2.3790 0.0000 . 1 . . . . A 31 GLN HG2 . 30256 1 249 . 1 1 31 31 GLN HG3 H 1 2.3780 0.0000 . 1 . . . . A 31 GLN HG3 . 30256 1 250 . 1 1 31 31 GLN HE21 H 1 7.7110 0.0000 . 1 . . . . A 31 GLN HE21 . 30256 1 251 . 1 1 31 31 GLN HE22 H 1 7.0350 0.0000 . 1 . . . . A 31 GLN HE22 . 30256 1 252 . 1 1 31 31 GLN N N 15 121.3260 0.0000 . 1 . . . . A 31 GLN N . 30256 1 253 . 1 1 31 31 GLN NE2 N 15 112.3990 0.0000 . 1 . . . . A 31 GLN NE2 . 30256 1 254 . 1 1 32 32 SER H H 1 8.2900 0.0000 . 1 . . . . A 32 SER H . 30256 1 255 . 1 1 32 32 SER HA H 1 4.4240 0.0000 . 1 . . . . A 32 SER HA . 30256 1 256 . 1 1 32 32 SER HB2 H 1 3.8430 0.0000 . 1 . . . . A 32 SER HB2 . 30256 1 257 . 1 1 32 32 SER HB3 H 1 3.8440 0.0000 . 1 . . . . A 32 SER HB3 . 30256 1 258 . 1 1 32 32 SER N N 15 117.3830 0.0000 . 1 . . . . A 32 SER N . 30256 1 259 . 1 1 33 33 HIS H H 1 8.0630 0.0000 . 1 . . . . A 33 HIS H . 30256 1 260 . 1 1 33 33 HIS HA H 1 4.4810 0.0000 . 1 . . . . A 33 HIS HA . 30256 1 261 . 1 1 33 33 HIS HB2 H 1 3.2610 0.0000 . 1 . . . . A 33 HIS HB2 . 30256 1 262 . 1 1 33 33 HIS HB3 H 1 3.0790 0.0000 . 1 . . . . A 33 HIS HB3 . 30256 1 263 . 1 1 33 33 HIS HD1 H 1 8.5280 0.0000 . 1 . . . . A 33 HIS HD1 . 30256 1 264 . 1 1 33 33 HIS HE1 H 1 7.2390 0.0000 . 1 . . . . A 33 HIS HE1 . 30256 1 265 . 1 1 33 33 HIS N N 15 124.4660 0.0000 . 1 . . . . A 33 HIS N . 30256 1 stop_ save_