data_17728 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17728 _Entry.Title ; 13C and 15N Chemical Shift Assignments for the fd Bacteriophage ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-23 _Entry.Accession_date 2011-06-23 _Entry.Last_release_date 2011-06-23 _Entry.Original_release_date 2011-06-23 _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 SOLID-STATE _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 Amir Goldbourt . . . . 17728 2 Gili Abramov . . . . 17728 3 Omry Morag . . . . 17728 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17728 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 17728 '15N chemical shifts' 39 17728 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 2 . . 2018-03-06 2011-06-23 update BMRB 'update entry citation' 17728 1 . . 2011-09-06 2011-06-23 original author 'original release' 17728 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 17728 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21702439 _Citation.Full_citation . _Citation.Title ; Magic-angle spinning NMR of a class I filamentous bacteriophage virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B.' _Citation.Journal_name_full . _Citation.Journal_volume 115 _Citation.Journal_issue 31 _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 9671 _Citation.Page_last 9680 _Citation.Year 2011 _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 Gili Abramov . . . . 17728 1 2 Omry Morag . . . . 17728 1 3 Amir Goldbourt . . . . 17728 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17728 _Assembly.ID 1 _Assembly.Name 'fd bacteriophage' _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 'coat protein' 1 $fd A . yes native no no . . . 17728 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1NH4 . . 'solid-state NMR' . . . 17728 1 yes PDB 2c0w . . 'X-ray fiber diffraction' . . . 17728 1 yes PDB 2c0x . . 'X-ray fiber diffraction + solid state NMR' . . . 17728 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_fd _Entity.Sf_category entity _Entity.Sf_framecode fd _Entity.Entry_ID 17728 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name fd _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 ; AEGDDPAKAAFDSLQASATE YIGYAWAMVVVIVGATIGIK LFKKFTSKAS ; _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID . _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_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 . ALA . 17728 1 2 . GLU . 17728 1 3 . GLY . 17728 1 4 . ASP . 17728 1 5 . ASP . 17728 1 6 . PRO . 17728 1 7 . ALA . 17728 1 8 . LYS . 17728 1 9 . ALA . 17728 1 10 . ALA . 17728 1 11 . PHE . 17728 1 12 . ASP . 17728 1 13 . SER . 17728 1 14 . LEU . 17728 1 15 . GLN . 17728 1 16 . ALA . 17728 1 17 . SER . 17728 1 18 . ALA . 17728 1 19 . THR . 17728 1 20 . GLU . 17728 1 21 . TYR . 17728 1 22 . ILE . 17728 1 23 . GLY . 17728 1 24 . TYR . 17728 1 25 . ALA . 17728 1 26 . TRP . 17728 1 27 . ALA . 17728 1 28 . MET . 17728 1 29 . VAL . 17728 1 30 . VAL . 17728 1 31 . VAL . 17728 1 32 . ILE . 17728 1 33 . VAL . 17728 1 34 . GLY . 17728 1 35 . ALA . 17728 1 36 . THR . 17728 1 37 . ILE . 17728 1 38 . GLY . 17728 1 39 . ILE . 17728 1 40 . LYS . 17728 1 41 . LEU . 17728 1 42 . PHE . 17728 1 43 . LYS . 17728 1 44 . LYS . 17728 1 45 . PHE . 17728 1 46 . THR . 17728 1 47 . SER . 17728 1 48 . LYS . 17728 1 49 . ALA . 17728 1 50 . SER . 17728 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 . ALA 1 1 17728 1 . GLU 2 2 17728 1 . GLY 3 3 17728 1 . ASP 4 4 17728 1 . ASP 5 5 17728 1 . PRO 6 6 17728 1 . ALA 7 7 17728 1 . LYS 8 8 17728 1 . ALA 9 9 17728 1 . ALA 10 10 17728 1 . PHE 11 11 17728 1 . ASP 12 12 17728 1 . SER 13 13 17728 1 . LEU 14 14 17728 1 . GLN 15 15 17728 1 . ALA 16 16 17728 1 . SER 17 17 17728 1 . ALA 18 18 17728 1 . THR 19 19 17728 1 . GLU 20 20 17728 1 . TYR 21 21 17728 1 . ILE 22 22 17728 1 . GLY 23 23 17728 1 . TYR 24 24 17728 1 . ALA 25 25 17728 1 . TRP 26 26 17728 1 . ALA 27 27 17728 1 . MET 28 28 17728 1 . VAL 29 29 17728 1 . VAL 30 30 17728 1 . VAL 31 31 17728 1 . ILE 32 32 17728 1 . VAL 33 33 17728 1 . GLY 34 34 17728 1 . ALA 35 35 17728 1 . THR 36 36 17728 1 . ILE 37 37 17728 1 . GLY 38 38 17728 1 . ILE 39 39 17728 1 . LYS 40 40 17728 1 . LEU 41 41 17728 1 . PHE 42 42 17728 1 . LYS 43 43 17728 1 . LYS 44 44 17728 1 . PHE 45 45 17728 1 . THR 46 46 17728 1 . SER 47 47 17728 1 . LYS 48 48 17728 1 . ALA 49 49 17728 1 . SER 50 50 17728 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 17728 _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 $fd . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 17728 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 17728 _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 $fd . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . 'other virus' . . fth1 . . . 17728 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17728 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 'TRIS BUFFER PH8' _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 fd '[U-99% 13C; U-99% 15N]' . . 1 $fd . . . 7 15 mg . . . . 17728 1 2 Tris 'natural abundance' . . . . . . . 7 . . . . . . 17728 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 17728 _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' 10 2 mM 17728 1 pH 8 0.1 pH 17728 1 temperature 273 . K 17728 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17728 _Software.ID 1 _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' . . 17728 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17728 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17728 _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 . . 17728 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17728 2 'data analysis' 17728 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 17728 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17728 _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 . 600 . . . 17728 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 17728 _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 13C-13C DARR' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17728 1 2 '3D NCACX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17728 1 3 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17728 1 4 '2D 13C-13C RFDR' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17728 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17728 _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 Adamantane 'methylene carbon' . . . . ppm 40.48 external direct 1 . . . . . 17728 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 39.27 external direct 1 . . . . . 17728 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 17728 _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 $chemical_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 13C-13C DARR' . . . 17728 1 2 '3D NCACX' . . . 17728 1 3 '3D NCOCX' . . . 17728 1 4 '2D 13C-13C RFDR' . . . 17728 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 ALA CA C 13 51.8 0.1 . 1 . . . . . 1 ALA CA . 17728 1 2 . 1 1 1 1 ALA CB C 13 19.6 0.1 . 1 . . . . . 1 ALA CB . 17728 1 3 . 1 1 2 2 GLU CA C 13 57.4 0.1 . 1 . . . . . 2 GLU CA . 17728 1 4 . 1 1 2 2 GLU CB C 13 29.8 0.0 . 1 . . . . . 2 GLU CB . 17728 1 5 . 1 1 2 2 GLU CG C 13 36.1 0.1 . 1 . . . . . 2 GLU CG . 17728 1 6 . 1 1 3 3 GLY C C 13 174.2 0.1 . 1 . . . . . 3 GLY C . 17728 1 7 . 1 1 3 3 GLY CA C 13 45.1 0.1 . 1 . . . . . 3 GLY CA . 17728 1 8 . 1 1 4 4 ASP C C 13 176 0.1 . 1 . . . . . 4 ASP C . 17728 1 9 . 1 1 4 4 ASP CA C 13 54.3 0.1 . 1 . . . . . 4 ASP CA . 17728 1 10 . 1 1 4 4 ASP CB C 13 41.4 0.1 . 1 . . . . . 4 ASP CB . 17728 1 11 . 1 1 5 5 ASP C C 13 175 0.1 . 1 . . . . . 5 ASP C . 17728 1 12 . 1 1 5 5 ASP CA C 13 51.8 0.1 . 1 . . . . . 5 ASP CA . 17728 1 13 . 1 1 5 5 ASP CB C 13 41.7 0.1 . 1 . . . . . 5 ASP CB . 17728 1 14 . 1 1 5 5 ASP CG C 13 180.1 0.1 . 1 . . . . . 5 ASP CG . 17728 1 15 . 1 1 5 5 ASP N N 15 121.9 0.1 . 1 . . . . . 5 ASP N . 17728 1 16 . 1 1 6 6 PRO C C 13 178 0.1 . 1 . . . . . 6 PRO C . 17728 1 17 . 1 1 6 6 PRO CA C 13 64 0.1 . 1 . . . . . 6 PRO CA . 17728 1 18 . 1 1 6 6 PRO CB C 13 31.6 0.1 . 1 . . . . . 6 PRO CB . 17728 1 19 . 1 1 6 6 PRO CG C 13 26.6 0.1 . 1 . . . . . 6 PRO CG . 17728 1 20 . 1 1 6 6 PRO CD C 13 50.7 0.1 . 1 . . . . . 6 PRO CD . 17728 1 21 . 1 1 6 6 PRO N N 15 138.8 0.5 . 1 . . . . . 6 PRO N . 17728 1 22 . 1 1 7 7 ALA C C 13 179.3 0.1 . 1 . . . . . 7 ALA C . 17728 1 23 . 1 1 7 7 ALA CA C 13 54.6 0.1 . 1 . . . . . 7 ALA CA . 17728 1 24 . 1 1 7 7 ALA CB C 13 19.3 0.1 . 1 . . . . . 7 ALA CB . 17728 1 25 . 1 1 7 7 ALA N N 15 119.7 0.1 . 1 . . . . . 7 ALA N . 17728 1 26 . 1 1 8 8 LYS C C 13 178.1 0.1 . 1 . . . . . 8 LYS C . 17728 1 27 . 1 1 8 8 LYS CA C 13 60 0.1 . 1 . . . . . 8 LYS CA . 17728 1 28 . 1 1 8 8 LYS CB C 13 32.5 0.1 . 1 . . . . . 8 LYS CB . 17728 1 29 . 1 1 8 8 LYS CG C 13 25 0.1 . 1 . . . . . 8 LYS CG . 17728 1 30 . 1 1 8 8 LYS CD C 13 29 0.1 . 1 . . . . . 8 LYS CD . 17728 1 31 . 1 1 8 8 LYS CE C 13 42.6 0.1 . 1 . . . . . 8 LYS CE . 17728 1 32 . 1 1 8 8 LYS N N 15 118.9 0.1 . 1 . . . . . 8 LYS N . 17728 1 33 . 1 1 9 9 ALA C C 13 180.3 0.1 . 1 . . . . . 9 ALA C . 17728 1 34 . 1 1 9 9 ALA CA C 13 54.7 0.1 . 5 . . . . . 9 ALA CA . 17728 1 35 . 1 1 9 9 ALA CB C 13 18 0.1 . 5 . . . . . 9 ALA CB . 17728 1 36 . 1 1 9 9 ALA N N 15 119 0.1 . 1 . . . . . 9 ALA N . 17728 1 37 . 1 1 10 10 ALA C C 13 178.1 0.1 . 1 . . . . . 10 ALA C . 17728 1 38 . 1 1 10 10 ALA CA C 13 54.9 0.1 . 5 . . . . . 10 ALA CA . 17728 1 39 . 1 1 10 10 ALA CB C 13 17.9 0.0 . 5 . . . . . 10 ALA CB . 17728 1 40 . 1 1 10 10 ALA N N 15 119.7 0.1 . 1 . . . . . 10 ALA N . 17728 1 41 . 1 1 11 11 PHE C C 13 178.8 0.1 . 1 . . . . . 11 PHE C . 17728 1 42 . 1 1 11 11 PHE CA C 13 63.9 0.1 . 1 . . . . . 11 PHE CA . 17728 1 43 . 1 1 11 11 PHE CB C 13 38.3 0.1 . 1 . . . . . 11 PHE CB . 17728 1 44 . 1 1 11 11 PHE CD1 C 13 130.7 0.1 . 3 . . . . . 11 PHE CD1 . 17728 1 45 . 1 1 11 11 PHE CD2 C 13 130.7 0.1 . 3 . . . . . 11 PHE CD2 . 17728 1 46 . 1 1 11 11 PHE N N 15 119.1 0.0 . 1 . . . . . 11 PHE N . 17728 1 47 . 1 1 12 12 ASP C C 13 179.8 0.1 . 1 . . . . . 12 ASP C . 17728 1 48 . 1 1 12 12 ASP CA C 13 57.7 0.1 . 1 . . . . . 12 ASP CA . 17728 1 49 . 1 1 12 12 ASP CB C 13 40.2 0.2 . 1 . . . . . 12 ASP CB . 17728 1 50 . 1 1 12 12 ASP CG C 13 178.7 0.1 . 1 . . . . . 12 ASP CG . 17728 1 51 . 1 1 12 12 ASP N N 15 119 0.1 . 1 . . . . . 12 ASP N . 17728 1 52 . 1 1 13 13 SER C C 13 177.4 0.1 . 1 . . . . . 13 SER C . 17728 1 53 . 1 1 13 13 SER CA C 13 61.7 0.1 . 1 . . . . . 13 SER CA . 17728 1 54 . 1 1 13 13 SER CB C 13 62.9 0.1 . 1 . . . . . 13 SER CB . 17728 1 55 . 1 1 13 13 SER N N 15 116.8 0.3 . 1 . . . . . 13 SER N . 17728 1 56 . 1 1 14 14 LEU C C 13 179.2 0.1 . 1 . . . . . 14 LEU C . 17728 1 57 . 1 1 14 14 LEU CA C 13 57.8 0.1 . 1 . . . . . 14 LEU CA . 17728 1 58 . 1 1 14 14 LEU CB C 13 42.4 0.2 . 1 . . . . . 14 LEU CB . 17728 1 59 . 1 1 14 14 LEU CG C 13 26.4 0.2 . 1 . . . . . 14 LEU CG . 17728 1 60 . 1 1 14 14 LEU CD1 C 13 23.5 0.1 . 1 . . . . . 14 LEU CD1 . 17728 1 61 . 1 1 14 14 LEU N N 15 124.7 0.2 . 1 . . . . . 14 LEU N . 17728 1 62 . 1 1 15 15 GLN C C 13 178.9 0.0 . 1 . . . . . 15 GLN C . 17728 1 63 . 1 1 15 15 GLN CA C 13 59.8 0.1 . 1 . . . . . 15 GLN CA . 17728 1 64 . 1 1 15 15 GLN CB C 13 28.3 0.1 . 1 . . . . . 15 GLN CB . 17728 1 65 . 1 1 15 15 GLN CG C 13 34.1 0.1 . 1 . . . . . 15 GLN CG . 17728 1 66 . 1 1 15 15 GLN N N 15 120.8 0.1 . 1 . . . . . 15 GLN N . 17728 1 67 . 1 1 16 16 ALA C C 13 181.2 0.1 . 1 . . . . . 16 ALA C . 17728 1 68 . 1 1 16 16 ALA CA C 13 55.2 0.1 . 1 . . . . . 16 ALA CA . 17728 1 69 . 1 1 16 16 ALA CB C 13 17.8 0.0 . 1 . . . . . 16 ALA CB . 17728 1 70 . 1 1 16 16 ALA N N 15 123 0.2 . 1 . . . . . 16 ALA N . 17728 1 71 . 1 1 17 17 SER C C 13 174.9 0.0 . 1 . . . . . 17 SER C . 17728 1 72 . 1 1 17 17 SER CA C 13 62.5 0.1 . 4 . . . . . 17 SER CA . 17728 1 73 . 1 1 17 17 SER CB C 13 62.5 0.1 . 4 . . . . . 17 SER CB . 17728 1 74 . 1 1 17 17 SER N N 15 117.2 0.3 . 1 . . . . . 17 SER N . 17728 1 75 . 1 1 18 18 ALA C C 13 179 0.1 . 1 . . . . . 18 ALA C . 17728 1 76 . 1 1 18 18 ALA CA C 13 55.9 0.1 . 1 . . . . . 18 ALA CA . 17728 1 77 . 1 1 18 18 ALA CB C 13 17.3 0.1 . 1 . . . . . 18 ALA CB . 17728 1 78 . 1 1 18 18 ALA N N 15 122.3 0.1 . 1 . . . . . 18 ALA N . 17728 1 79 . 1 1 19 19 THR C C 13 177.2 0.1 . 1 . . . . . 19 THR C . 17728 1 80 . 1 1 19 19 THR CA C 13 68.8 0.1 . 1 . . . . . 19 THR CA . 17728 1 81 . 1 1 19 19 THR CB C 13 67.1 0.1 . 1 . . . . . 19 THR CB . 17728 1 82 . 1 1 19 19 THR CG2 C 13 21.6 0.1 . 1 . . . . . 19 THR CG2 . 17728 1 83 . 1 1 19 19 THR N N 15 111.4 0.2 . 1 . . . . . 19 THR N . 17728 1 84 . 1 1 20 20 GLU C C 13 179 0.0 . 1 . . . . . 20 GLU C . 17728 1 85 . 1 1 20 20 GLU CA C 13 58.9 0.1 . 1 . . . . . 20 GLU CA . 17728 1 86 . 1 1 20 20 GLU CB C 13 28.7 0.1 . 1 . . . . . 20 GLU CB . 17728 1 87 . 1 1 20 20 GLU CG C 13 35.7 0.1 . 1 . . . . . 20 GLU CG . 17728 1 88 . 1 1 20 20 GLU CD C 13 183.3 0.1 . 1 . . . . . 20 GLU CD . 17728 1 89 . 1 1 20 20 GLU N N 15 124.2 0.2 . 1 . . . . . 20 GLU N . 17728 1 90 . 1 1 21 21 TYR C C 13 178.3 0.0 . 1 . . . . . 21 TYR C . 17728 1 91 . 1 1 21 21 TYR CA C 13 58.4 0.1 . 1 . . . . . 21 TYR CA . 17728 1 92 . 1 1 21 21 TYR CB C 13 36.3 0.0 . 1 . . . . . 21 TYR CB . 17728 1 93 . 1 1 21 21 TYR CG C 13 129.7 0.0 . 1 . . . . . 21 TYR CG . 17728 1 94 . 1 1 21 21 TYR CD1 C 13 130.8 0.1 . 3 . . . . . 21 TYR CD1 . 17728 1 95 . 1 1 21 21 TYR CD2 C 13 130.8 0.1 . 3 . . . . . 21 TYR CD2 . 17728 1 96 . 1 1 21 21 TYR CE1 C 13 118.7 0.1 . 3 . . . . . 21 TYR CE1 . 17728 1 97 . 1 1 21 21 TYR CE2 C 13 118.7 0.1 . 3 . . . . . 21 TYR CE2 . 17728 1 98 . 1 1 21 21 TYR CZ C 13 158.5 0.1 . 1 . . . . . 21 TYR CZ . 17728 1 99 . 1 1 21 21 TYR N N 15 119.8 0.1 . 1 . . . . . 21 TYR N . 17728 1 100 . 1 1 22 22 ILE C C 13 178 0.1 . 1 . . . . . 22 ILE C . 17728 1 101 . 1 1 22 22 ILE CA C 13 65.6 0.1 . 1 . . . . . 22 ILE CA . 17728 1 102 . 1 1 22 22 ILE CB C 13 38.4 0.1 . 1 . . . . . 22 ILE CB . 17728 1 103 . 1 1 22 22 ILE CG1 C 13 30.8 0.1 . 1 . . . . . 22 ILE CG1 . 17728 1 104 . 1 1 22 22 ILE CG2 C 13 18.4 0.0 . 1 . . . . . 22 ILE CG2 . 17728 1 105 . 1 1 22 22 ILE CD1 C 13 15.5 0.1 . 1 . . . . . 22 ILE CD1 . 17728 1 106 . 1 1 22 22 ILE N N 15 120.4 0.0 . 1 . . . . . 22 ILE N . 17728 1 107 . 1 1 23 23 GLY C C 13 177.8 0.1 . 1 . . . . . 23 GLY C . 17728 1 108 . 1 1 23 23 GLY CA C 13 47.4 0.1 . 1 . . . . . 23 GLY CA . 17728 1 109 . 1 1 23 23 GLY N N 15 106.7 0.1 . 1 . . . . . 23 GLY N . 17728 1 110 . 1 1 24 24 TYR C C 13 179.1 0.0 . 1 . . . . . 24 TYR C . 17728 1 111 . 1 1 24 24 TYR CA C 13 57.9 0.1 . 1 . . . . . 24 TYR CA . 17728 1 112 . 1 1 24 24 TYR CB C 13 35.2 0.1 . 1 . . . . . 24 TYR CB . 17728 1 113 . 1 1 24 24 TYR CG C 13 129.4 0.1 . 1 . . . . . 24 TYR CG . 17728 1 114 . 1 1 24 24 TYR CD1 C 13 132.6 0.1 . 3 . . . . . 24 TYR CD1 . 17728 1 115 . 1 1 24 24 TYR CD2 C 13 132.6 0.1 . 3 . . . . . 24 TYR CD2 . 17728 1 116 . 1 1 24 24 TYR CE1 C 13 118 0.1 . 3 . . . . . 24 TYR CE1 . 17728 1 117 . 1 1 24 24 TYR CE2 C 13 118 0.1 . 3 . . . . . 24 TYR CE2 . 17728 1 118 . 1 1 24 24 TYR CZ C 13 157.6 0.0 . 1 . . . . . 24 TYR CZ . 17728 1 119 . 1 1 24 24 TYR N N 15 122.4 0.1 . 1 . . . . . 24 TYR N . 17728 1 120 . 1 1 25 25 ALA C C 13 179.7 0.0 . 1 . . . . . 25 ALA C . 17728 1 121 . 1 1 25 25 ALA CA C 13 55.1 0.1 . 1 . . . . . 25 ALA CA . 17728 1 122 . 1 1 25 25 ALA CB C 13 18.5 0.0 . 1 . . . . . 25 ALA CB . 17728 1 123 . 1 1 25 25 ALA N N 15 123.5 0.2 . 1 . . . . . 25 ALA N . 17728 1 124 . 1 1 26 26 TRP C C 13 178.6 0.1 . 1 . . . . . 26 TRP C . 17728 1 125 . 1 1 26 26 TRP CA C 13 60.8 0.0 . 1 . . . . . 26 TRP CA . 17728 1 126 . 1 1 26 26 TRP CB C 13 28.8 0.1 . 1 . . . . . 26 TRP CB . 17728 1 127 . 1 1 26 26 TRP CG C 13 114.1 0.1 . 1 . . . . . 26 TRP CG . 17728 1 128 . 1 1 26 26 TRP CD1 C 13 127.5 0.1 . 1 . . . . . 26 TRP CD1 . 17728 1 129 . 1 1 26 26 TRP CD2 C 13 129.2 0.1 . 1 . . . . . 26 TRP CD2 . 17728 1 130 . 1 1 26 26 TRP CE2 C 13 139.9 0.0 . 1 . . . . . 26 TRP CE2 . 17728 1 131 . 1 1 26 26 TRP CE3 C 13 119.6 0.1 . 1 . . . . . 26 TRP CE3 . 17728 1 132 . 1 1 26 26 TRP CZ2 C 13 113.3 0.1 . 1 . . . . . 26 TRP CZ2 . 17728 1 133 . 1 1 26 26 TRP CZ3 C 13 120.3 0.1 . 1 . . . . . 26 TRP CZ3 . 17728 1 134 . 1 1 26 26 TRP CH2 C 13 124.7 0.1 . 1 . . . . . 26 TRP CH2 . 17728 1 135 . 1 1 27 27 ALA C C 13 180.5 0.2 . 1 . . . . . 27 ALA C . 17728 1 136 . 1 1 27 27 ALA CA C 13 54.9 0.1 . 1 . . . . . 27 ALA CA . 17728 1 137 . 1 1 27 27 ALA CB C 13 20 0.1 . 1 . . . . . 27 ALA CB . 17728 1 138 . 1 1 27 27 ALA N N 15 121.8 0.1 . 1 . . . . . 27 ALA N . 17728 1 139 . 1 1 28 28 MET CA C 13 57.8 0.0 . 1 . . . . . 28 MET CA . 17728 1 140 . 1 1 28 28 MET CB C 13 33.4 0.1 . 1 . . . . . 28 MET CB . 17728 1 141 . 1 1 28 28 MET CG C 13 32.7 0.0 . 1 . . . . . 28 MET CG . 17728 1 142 . 1 1 28 28 MET CE C 13 17.9 0.0 . 1 . . . . . 28 MET CE . 17728 1 143 . 1 1 29 29 VAL C C 13 178.1 0.0 . 1 . . . . . 29 VAL C . 17728 1 144 . 1 1 29 29 VAL CA C 13 67.1 0.2 . 1 . . . . . 29 VAL CA . 17728 1 145 . 1 1 29 29 VAL CB C 13 31.8 0.1 . 1 . . . . . 29 VAL CB . 17728 1 146 . 1 1 29 29 VAL N N 15 120.4 0.0 . 1 . . . . . 29 VAL N . 17728 1 147 . 1 1 30 30 VAL C C 13 177.9 0.3 . 1 . . . . . 30 VAL C . 17728 1 148 . 1 1 30 30 VAL CA C 13 65.4 0.2 . 1 . . . . . 30 VAL CA . 17728 1 149 . 1 1 30 30 VAL CB C 13 31.5 0.2 . 1 . . . . . 30 VAL CB . 17728 1 150 . 1 1 30 30 VAL CG1 C 13 24.1 0.0 . 1 . . . . . 30 VAL CG1 . 17728 1 151 . 1 1 30 30 VAL CG2 C 13 21.9 0.1 . 1 . . . . . 30 VAL CG2 . 17728 1 152 . 1 1 30 30 VAL N N 15 120.5 0.1 . 1 . . . . . 30 VAL N . 17728 1 153 . 1 1 31 31 VAL C C 13 178.7 0.2 . 1 . . . . . 31 VAL C . 17728 1 154 . 1 1 31 31 VAL CA C 13 65.9 0.1 . 1 . . . . . 31 VAL CA . 17728 1 155 . 1 1 31 31 VAL CB C 13 32.2 0.1 . 1 . . . . . 31 VAL CB . 17728 1 156 . 1 1 31 31 VAL CG1 C 13 22.8 0.0 . 1 . . . . . 31 VAL CG1 . 17728 1 157 . 1 1 31 31 VAL CG2 C 13 21.3 0.1 . 1 . . . . . 31 VAL CG2 . 17728 1 158 . 1 1 31 31 VAL N N 15 120.8 0.3 . 1 . . . . . 31 VAL N . 17728 1 159 . 1 1 32 32 ILE C C 13 178.9 0.0 . 1 . . . . . 32 ILE C . 17728 1 160 . 1 1 32 32 ILE CA C 13 65.8 0.1 . 1 . . . . . 32 ILE CA . 17728 1 161 . 1 1 32 32 ILE CB C 13 38 0.0 . 1 . . . . . 32 ILE CB . 17728 1 162 . 1 1 32 32 ILE CG1 C 13 29.8 0.1 . 1 . . . . . 32 ILE CG1 . 17728 1 163 . 1 1 32 32 ILE CG2 C 13 16.9 0.0 . 1 . . . . . 32 ILE CG2 . 17728 1 164 . 1 1 32 32 ILE CD1 C 13 13.7 0.0 . 1 . . . . . 32 ILE CD1 . 17728 1 165 . 1 1 32 32 ILE N N 15 121.5 0.0 . 1 . . . . . 32 ILE N . 17728 1 166 . 1 1 33 33 VAL C C 13 178.2 0.0 . 1 . . . . . 33 VAL C . 17728 1 167 . 1 1 33 33 VAL CA C 13 65.8 0.1 . 1 . . . . . 33 VAL CA . 17728 1 168 . 1 1 33 33 VAL CB C 13 31.5 0.1 . 1 . . . . . 33 VAL CB . 17728 1 169 . 1 1 33 33 VAL CG1 C 13 25 0.1 . 1 . . . . . 33 VAL CG1 . 17728 1 170 . 1 1 33 33 VAL CG2 C 13 22.3 0.1 . 1 . . . . . 33 VAL CG2 . 17728 1 171 . 1 1 33 33 VAL N N 15 122.2 0.3 . 1 . . . . . 33 VAL N . 17728 1 172 . 1 1 34 34 GLY C C 13 177.3 0.1 . 1 . . . . . 34 GLY C . 17728 1 173 . 1 1 34 34 GLY CA C 13 47.8 0.1 . 1 . . . . . 34 GLY CA . 17728 1 174 . 1 1 34 34 GLY N N 15 106.7 0.1 . 1 . . . . . 34 GLY N . 17728 1 175 . 1 1 35 35 ALA C C 13 178.9 0.1 . 1 . . . . . 35 ALA C . 17728 1 176 . 1 1 35 35 ALA CA C 13 55 0.1 . 1 . . . . . 35 ALA CA . 17728 1 177 . 1 1 35 35 ALA CB C 13 21.3 0.1 . 1 . . . . . 35 ALA CB . 17728 1 178 . 1 1 35 35 ALA N N 15 123.3 0.2 . 1 . . . . . 35 ALA N . 17728 1 179 . 1 1 36 36 THR C C 13 178.3 0.1 . 1 . . . . . 36 THR C . 17728 1 180 . 1 1 36 36 THR CA C 13 67.3 0.1 . 1 . . . . . 36 THR CA . 17728 1 181 . 1 1 36 36 THR CB C 13 65.7 0.0 . 1 . . . . . 36 THR CB . 17728 1 182 . 1 1 36 36 THR N N 15 112.9 0.1 . 1 . . . . . 36 THR N . 17728 1 183 . 1 1 37 37 ILE C C 13 178.1 0.1 . 1 . . . . . 37 ILE C . 17728 1 184 . 1 1 37 37 ILE CA C 13 61.4 0.1 . 1 . . . . . 37 ILE CA . 17728 1 185 . 1 1 37 37 ILE CB C 13 34.4 0.1 . 1 . . . . . 37 ILE CB . 17728 1 186 . 1 1 37 37 ILE CG1 C 13 28.4 0.1 . 1 . . . . . 37 ILE CG1 . 17728 1 187 . 1 1 37 37 ILE CG2 C 13 17.7 0.1 . 1 . . . . . 37 ILE CG2 . 17728 1 188 . 1 1 37 37 ILE CD1 C 13 8.4 0.1 . 1 . . . . . 37 ILE CD1 . 17728 1 189 . 1 1 37 37 ILE N N 15 123.4 0.1 . 1 . . . . . 37 ILE N . 17728 1 190 . 1 1 38 38 GLY C C 13 175.8 0.1 . 1 . . . . . 38 GLY C . 17728 1 191 . 1 1 38 38 GLY CA C 13 48.4 0.1 . 1 . . . . . 38 GLY CA . 17728 1 192 . 1 1 38 38 GLY N N 15 110.5 0.0 . 1 . . . . . 38 GLY N . 17728 1 193 . 1 1 39 39 ILE C C 13 177.9 0.1 . 1 . . . . . 39 ILE C . 17728 1 194 . 1 1 39 39 ILE CA C 13 66.4 0.1 . 1 . . . . . 39 ILE CA . 17728 1 195 . 1 1 39 39 ILE CB C 13 38 0.1 . 1 . . . . . 39 ILE CB . 17728 1 196 . 1 1 39 39 ILE CG1 C 13 29 0.1 . 1 . . . . . 39 ILE CG1 . 17728 1 197 . 1 1 39 39 ILE CG2 C 13 17.2 0.1 . 1 . . . . . 39 ILE CG2 . 17728 1 198 . 1 1 39 39 ILE CD1 C 13 12.4 0.1 . 1 . . . . . 39 ILE CD1 . 17728 1 199 . 1 1 39 39 ILE N N 15 122.9 0.2 . 1 . . . . . 39 ILE N . 17728 1 200 . 1 1 40 40 LYS C C 13 179 0.2 . 1 . . . . . 40 LYS C . 17728 1 201 . 1 1 40 40 LYS CA C 13 60 0.1 . 1 . . . . . 40 LYS CA . 17728 1 202 . 1 1 40 40 LYS CB C 13 33.5 0.0 . 1 . . . . . 40 LYS CB . 17728 1 203 . 1 1 40 40 LYS CG C 13 26.3 0.2 . 1 . . . . . 40 LYS CG . 17728 1 204 . 1 1 40 40 LYS CE C 13 42.5 0.2 . 1 . . . . . 40 LYS CE . 17728 1 205 . 1 1 40 40 LYS N N 15 120.7 0.2 . 1 . . . . . 40 LYS N . 17728 1 206 . 1 1 42 42 PHE C C 13 178.6 0.0 . 1 . . . . . 42 PHE C . 17728 1 207 . 1 1 42 42 PHE CA C 13 61.9 0.0 . 1 . . . . . 42 PHE CA . 17728 1 208 . 1 1 42 42 PHE CB C 13 39.9 0.0 . 1 . . . . . 42 PHE CB . 17728 1 209 . 1 1 42 42 PHE CG C 13 138.4 0.1 . 1 . . . . . 42 PHE CG . 17728 1 210 . 1 1 42 42 PHE CD1 C 13 130.7 0.0 . 3 . . . . . 42 PHE CD1 . 17728 1 211 . 1 1 42 42 PHE CD2 C 13 130.7 0.0 . 3 . . . . . 42 PHE CD2 . 17728 1 212 . 1 1 43 43 LYS C C 13 178.1 0.1 . 1 . . . . . 43 LYS C . 17728 1 213 . 1 1 43 43 LYS CA C 13 60.4 0.1 . 1 . . . . . 43 LYS CA . 17728 1 214 . 1 1 43 43 LYS CB C 13 33.2 0.2 . 1 . . . . . 43 LYS CB . 17728 1 215 . 1 1 43 43 LYS CG C 13 26.4 0.0 . 1 . . . . . 43 LYS CG . 17728 1 216 . 1 1 43 43 LYS CD C 13 30.4 0.0 . 1 . . . . . 43 LYS CD . 17728 1 217 . 1 1 43 43 LYS CE C 13 41.8 0.1 . 1 . . . . . 43 LYS CE . 17728 1 218 . 1 1 43 43 LYS N N 15 120.8 0.2 . 1 . . . . . 43 LYS N . 17728 1 219 . 1 1 44 44 LYS CA C 13 59.4 0.1 . 1 . . . . . 44 LYS CA . 17728 1 220 . 1 1 44 44 LYS CB C 13 33.3 0.0 . 1 . . . . . 44 LYS CB . 17728 1 221 . 1 1 44 44 LYS CG C 13 24 0.3 . 1 . . . . . 44 LYS CG . 17728 1 222 . 1 1 44 44 LYS CD C 13 29.9 0.0 . 1 . . . . . 44 LYS CD . 17728 1 223 . 1 1 44 44 LYS CE C 13 41.1 0.0 . 1 . . . . . 44 LYS CE . 17728 1 224 . 1 1 44 44 LYS N N 15 120.6 0.1 . 1 . . . . . 44 LYS N . 17728 1 225 . 1 1 45 45 PHE C C 13 178.5 0.2 . 1 . . . . . 45 PHE C . 17728 1 226 . 1 1 45 45 PHE CA C 13 61.8 0.1 . 1 . . . . . 45 PHE CA . 17728 1 227 . 1 1 45 45 PHE CB C 13 37.9 0.1 . 1 . . . . . 45 PHE CB . 17728 1 228 . 1 1 45 45 PHE CG C 13 141.3 0.1 . 1 . . . . . 45 PHE CG . 17728 1 229 . 1 1 45 45 PHE CD1 C 13 130.6 0.0 . 3 . . . . . 45 PHE CD1 . 17728 1 230 . 1 1 45 45 PHE CD2 C 13 130.6 0.0 . 3 . . . . . 45 PHE CD2 . 17728 1 231 . 1 1 46 46 THR C C 13 177.3 0.1 . 1 . . . . . 46 THR C . 17728 1 232 . 1 1 46 46 THR CA C 13 65.7 0.1 . 1 . . . . . 46 THR CA . 17728 1 233 . 1 1 46 46 THR CB C 13 68.8 0.1 . 1 . . . . . 46 THR CB . 17728 1 234 . 1 1 46 46 THR CG2 C 13 24.1 0.0 . 1 . . . . . 46 THR CG2 . 17728 1 235 . 1 1 46 46 THR N N 15 109.1 0.3 . 1 . . . . . 46 THR N . 17728 1 236 . 1 1 47 47 SER CA C 13 62.9 0.0 . 4 . . . . . 47 SER CA . 17728 1 237 . 1 1 47 47 SER CB C 13 62.9 0.1 . 4 . . . . . 47 SER CB . 17728 1 238 . 1 1 49 49 ALA C C 13 174 0.1 . 1 . . . . . 49 ALA C . 17728 1 239 . 1 1 49 49 ALA CA C 13 52.3 0.1 . 1 . . . . . 49 ALA CA . 17728 1 240 . 1 1 49 49 ALA CB C 13 21 0.1 . 1 . . . . . 49 ALA CB . 17728 1 241 . 1 1 49 49 ALA N N 15 119.2 0.1 . 1 . . . . . 49 ALA N . 17728 1 242 . 1 1 50 50 SER C C 13 179.9 0.3 . 1 . . . . . 50 SER C . 17728 1 243 . 1 1 50 50 SER CA C 13 57.9 0.2 . 1 . . . . . 50 SER CA . 17728 1 244 . 1 1 50 50 SER CB C 13 66.7 0.2 . 1 . . . . . 50 SER CB . 17728 1 245 . 1 1 50 50 SER N N 15 111.1 0.2 . 1 . . . . . 50 SER N . 17728 1 stop_ save_