data_16487 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16487 _Entry.Title ; Backbone 1H, 15N and 13C chemical shift assignments for HCV-1b Core+1/S polypeptide. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-09 _Entry.Accession_date 2009-09-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Anissa Boumlic . . . 16487 2 Yves Nomine . . . 16487 3 Bruno Kieffer . . . 16487 4 Gilles Trave . . . 16487 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Biomolecular NMR group, IGBMC, UMR CNRS 7104' . 16487 1 . 'Oncoprotein group, ESBS, CNRS FRE 3211' . 16487 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16487 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 157 16487 '15N chemical shifts' 48 16487 '1H chemical shifts' 48 16487 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 . . 2010-02-23 2009-09-09 update BMRB 'completed entry citation' 16487 1 . . 2010-01-28 2009-09-09 original author 'original release' 16487 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16487 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20067524 _Citation.Full_citation . _Citation.Title 'Prevalence of intrinsic disorder in the hepatitis C virus ARFP/Core+1/S protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 277 _Citation.Journal_issue 3 _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 774 _Citation.Page_last 789 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Anissa Boumlic . . . 16487 1 2 Yves Nomine . . . 16487 1 3 Sebastian Charbonnier . . . 16487 1 4 Georgia Dalagiorgou . . . 16487 1 5 Niki Vassilaki . . . 16487 1 6 Bruno Kieffer . . . 16487 1 7 Gilles Trave . . . 16487 1 8 Penelope Mavromara . . . 16487 1 9 Georges Orfanoudakis . . . 16487 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ARFP 16487 1 Core+1/S 16487 1 HCV 16487 1 'intrinsic disorder' 16487 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16487 _Assembly.ID 1 _Assembly.Name 'HCV-1b Core+1/S' _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 6075.9 _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 'unit 1' 1 $HCV-1b_Core+1_S A . yes native yes no . . . 16487 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCV-1b_Core+1_S _Entity.Sf_category entity _Entity.Sf_framecode HCV-1b_Core+1_S _Entity.Entry_ID 16487 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HCV-1b_Core+1/S _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 ; GAMAMRAWGGQDGSCHPVAP GLVGAPMTPGVGRVIWVRSS IPSRAASPTSWGTFRSSAPP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence numbering starts at -1.' _Entity.Polymer_author_seq_details 'Residues -1 and 0 result from the cloning strategy.' _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 -1 GLY . 16487 1 2 0 ALA . 16487 1 3 1 MET . 16487 1 4 2 ALA . 16487 1 5 3 MET . 16487 1 6 4 ARG . 16487 1 7 5 ALA . 16487 1 8 6 TRP . 16487 1 9 7 GLY . 16487 1 10 8 GLY . 16487 1 11 9 GLN . 16487 1 12 10 ASP . 16487 1 13 11 GLY . 16487 1 14 12 SER . 16487 1 15 13 CYS . 16487 1 16 14 HIS . 16487 1 17 15 PRO . 16487 1 18 16 VAL . 16487 1 19 17 ALA . 16487 1 20 18 PRO . 16487 1 21 19 GLY . 16487 1 22 20 LEU . 16487 1 23 21 VAL . 16487 1 24 22 GLY . 16487 1 25 23 ALA . 16487 1 26 24 PRO . 16487 1 27 25 MET . 16487 1 28 26 THR . 16487 1 29 27 PRO . 16487 1 30 28 GLY . 16487 1 31 29 VAL . 16487 1 32 30 GLY . 16487 1 33 31 ARG . 16487 1 34 32 VAL . 16487 1 35 33 ILE . 16487 1 36 34 TRP . 16487 1 37 35 VAL . 16487 1 38 36 ARG . 16487 1 39 37 SER . 16487 1 40 38 SER . 16487 1 41 39 ILE . 16487 1 42 40 PRO . 16487 1 43 41 SER . 16487 1 44 42 ARG . 16487 1 45 43 ALA . 16487 1 46 44 ALA . 16487 1 47 45 SER . 16487 1 48 46 PRO . 16487 1 49 47 THR . 16487 1 50 48 SER . 16487 1 51 49 TRP . 16487 1 52 50 GLY . 16487 1 53 51 THR . 16487 1 54 52 PHE . 16487 1 55 53 ARG . 16487 1 56 54 SER . 16487 1 57 55 SER . 16487 1 58 56 ALA . 16487 1 59 57 PRO . 16487 1 60 58 PRO . 16487 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 16487 1 . ALA 2 2 16487 1 . MET 3 3 16487 1 . ALA 4 4 16487 1 . MET 5 5 16487 1 . ARG 6 6 16487 1 . ALA 7 7 16487 1 . TRP 8 8 16487 1 . GLY 9 9 16487 1 . GLY 10 10 16487 1 . GLN 11 11 16487 1 . ASP 12 12 16487 1 . GLY 13 13 16487 1 . SER 14 14 16487 1 . CYS 15 15 16487 1 . HIS 16 16 16487 1 . PRO 17 17 16487 1 . VAL 18 18 16487 1 . ALA 19 19 16487 1 . PRO 20 20 16487 1 . GLY 21 21 16487 1 . LEU 22 22 16487 1 . VAL 23 23 16487 1 . GLY 24 24 16487 1 . ALA 25 25 16487 1 . PRO 26 26 16487 1 . MET 27 27 16487 1 . THR 28 28 16487 1 . PRO 29 29 16487 1 . GLY 30 30 16487 1 . VAL 31 31 16487 1 . GLY 32 32 16487 1 . ARG 33 33 16487 1 . VAL 34 34 16487 1 . ILE 35 35 16487 1 . TRP 36 36 16487 1 . VAL 37 37 16487 1 . ARG 38 38 16487 1 . SER 39 39 16487 1 . SER 40 40 16487 1 . ILE 41 41 16487 1 . PRO 42 42 16487 1 . SER 43 43 16487 1 . ARG 44 44 16487 1 . ALA 45 45 16487 1 . ALA 46 46 16487 1 . SER 47 47 16487 1 . PRO 48 48 16487 1 . THR 49 49 16487 1 . SER 50 50 16487 1 . TRP 51 51 16487 1 . GLY 52 52 16487 1 . THR 53 53 16487 1 . PHE 54 54 16487 1 . ARG 55 55 16487 1 . SER 56 56 16487 1 . SER 57 57 16487 1 . ALA 58 58 16487 1 . PRO 59 59 16487 1 . PRO 60 60 16487 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 16487 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HCV-1b_Core+1_S . 11103 virus . 'Hepatitis C virus' 'Hepatitis C virus' . . Viruses . Hepacivirus 'Hepatitis C virus' . . . . . . . . . . . . . . . . . . . . . 16487 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 16487 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HCV-1b_Core+1_S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-20b . . . . . . 16487 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16487 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'HCV-1b Core+1/S' '[U-100% 13C; U-100% 15N]' . . 1 $HCV-1b_Core+1_S . . 400 . . uM . . . . 16487 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16487 1 3 'sodium chloride' 'natural abundance' . . . . . . 400 . . mM . . . . 16487 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16487 1 5 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 16487 1 6 'Glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 16487 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16487 1 8 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16487 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 16487 _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 pH 6.8 . pH 16487 1 pressure 1 . atm 16487 1 temperature 296 . K 16487 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16487 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16487 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16487 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16487 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16487 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16487 2 'data analysis' 16487 2 'peak picking' 16487 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 16487 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 16487 _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 DRX . 600 . . . 16487 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 16487 _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 . . . . . . . . . . . . . . . . 16487 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16487 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16487 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16487 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16487 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 16487 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0.00 external indirect 0.25144952 . . . . . . . . . 16487 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . . . . . 16487 1 N 15 DSS nitrogen . . . . ppm 0 external indirect 0.10132905 . . . . . . . . . 16487 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 16487 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 16487 1 2 '3D HNCO' . . . 16487 1 3 '3D HNCA' . . . 16487 1 4 '3D HN(CO)CA' . . . 16487 1 5 '3D HNCACB' . . . 16487 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 16487 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.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 3 3 MET H H 1 8.48 0.02 . 1 . . . . 1 MET H . 16487 1 2 . 1 1 3 3 MET C C 13 176.0 0.3 . 1 . . . . 1 MET C . 16487 1 3 . 1 1 3 3 MET CA C 13 55.4 0.3 . 1 . . . . 1 MET CA . 16487 1 4 . 1 1 3 3 MET CB C 13 33.0 0.3 . 1 . . . . 1 MET CB . 16487 1 5 . 1 1 3 3 MET N N 15 120.6 0.3 . 1 . . . . 1 MET N . 16487 1 6 . 1 1 4 4 ALA H H 1 8.33 0.02 . 1 . . . . 2 ALA H . 16487 1 7 . 1 1 4 4 ALA C C 13 177.5 0.3 . 1 . . . . 2 ALA C . 16487 1 8 . 1 1 4 4 ALA CA C 13 52.5 0.3 . 1 . . . . 2 ALA CA . 16487 1 9 . 1 1 4 4 ALA CB C 13 19.0 0.3 . 1 . . . . 2 ALA CB . 16487 1 10 . 1 1 4 4 ALA N N 15 126.2 0.3 . 1 . . . . 2 ALA N . 16487 1 11 . 1 1 5 5 MET H H 1 8.27 0.02 . 1 . . . . 3 MET H . 16487 1 12 . 1 1 5 5 MET C C 13 176.2 0.3 . 1 . . . . 3 MET C . 16487 1 13 . 1 1 5 5 MET CA C 13 55.3 0.3 . 1 . . . . 3 MET CA . 16487 1 14 . 1 1 5 5 MET CB C 13 32.9 0.3 . 1 . . . . 3 MET CB . 16487 1 15 . 1 1 5 5 MET N N 15 120.3 0.3 . 1 . . . . 3 MET N . 16487 1 16 . 1 1 6 6 ARG H H 1 8.26 0.02 . 1 . . . . 4 ARG H . 16487 1 17 . 1 1 6 6 ARG C C 13 175.9 0.3 . 1 . . . . 4 ARG C . 16487 1 18 . 1 1 6 6 ARG CA C 13 55.9 0.3 . 1 . . . . 4 ARG CA . 16487 1 19 . 1 1 6 6 ARG CB C 13 30.6 0.3 . 1 . . . . 4 ARG CB . 16487 1 20 . 1 1 6 6 ARG N N 15 123.0 0.3 . 1 . . . . 4 ARG N . 16487 1 21 . 1 1 7 7 ALA H H 1 8.26 0.02 . 1 . . . . 5 ALA H . 16487 1 22 . 1 1 7 7 ALA C C 13 177.3 0.3 . 1 . . . . 5 ALA C . 16487 1 23 . 1 1 7 7 ALA CA C 13 52.4 0.3 . 1 . . . . 5 ALA CA . 16487 1 24 . 1 1 7 7 ALA CB C 13 19.3 0.3 . 1 . . . . 5 ALA CB . 16487 1 25 . 1 1 7 7 ALA N N 15 125.6 0.3 . 1 . . . . 5 ALA N . 16487 1 26 . 1 1 8 8 TRP H H 1 8.13 0.02 . 1 . . . . 6 TRP H . 16487 1 27 . 1 1 8 8 TRP C C 13 176.7 0.3 . 1 . . . . 6 TRP C . 16487 1 28 . 1 1 8 8 TRP CA C 13 57.2 0.3 . 1 . . . . 6 TRP CA . 16487 1 29 . 1 1 8 8 TRP CB C 13 29.7 0.3 . 1 . . . . 6 TRP CB . 16487 1 30 . 1 1 8 8 TRP N N 15 121.0 0.3 . 1 . . . . 6 TRP N . 16487 1 31 . 1 1 9 9 GLY H H 1 8.28 0.02 . 1 . . . . 7 GLY H . 16487 1 32 . 1 1 9 9 GLY C C 13 174.5 0.3 . 1 . . . . 7 GLY C . 16487 1 33 . 1 1 9 9 GLY CA C 13 45.4 0.3 . 1 . . . . 7 GLY CA . 16487 1 34 . 1 1 9 9 GLY N N 15 111.6 0.3 . 1 . . . . 7 GLY N . 16487 1 35 . 1 1 10 10 GLY H H 1 7.73 0.02 . 1 . . . . 8 GLY H . 16487 1 36 . 1 1 10 10 GLY C C 13 174.3 0.3 . 1 . . . . 8 GLY C . 16487 1 37 . 1 1 10 10 GLY CA C 13 45.2 0.3 . 1 . . . . 8 GLY CA . 16487 1 38 . 1 1 10 10 GLY N N 15 108.6 0.3 . 1 . . . . 8 GLY N . 16487 1 39 . 1 1 11 11 GLN H H 1 8.30 0.02 . 1 . . . . 9 GLN H . 16487 1 40 . 1 1 11 11 GLN C C 13 175.9 0.3 . 1 . . . . 9 GLN C . 16487 1 41 . 1 1 11 11 GLN CA C 13 55.9 0.3 . 1 . . . . 9 GLN CA . 16487 1 42 . 1 1 11 11 GLN CB C 13 29.4 0.3 . 1 . . . . 9 GLN CB . 16487 1 43 . 1 1 11 11 GLN N N 15 120.3 0.3 . 1 . . . . 9 GLN N . 16487 1 44 . 1 1 12 12 ASP H H 1 8.42 0.02 . 1 . . . . 10 ASP H . 16487 1 45 . 1 1 12 12 ASP C C 13 176.8 0.3 . 1 . . . . 10 ASP C . 16487 1 46 . 1 1 12 12 ASP CA C 13 54.4 0.3 . 1 . . . . 10 ASP CA . 16487 1 47 . 1 1 12 12 ASP CB C 13 41.1 0.3 . 1 . . . . 10 ASP CB . 16487 1 48 . 1 1 12 12 ASP N N 15 121.8 0.3 . 1 . . . . 10 ASP N . 16487 1 49 . 1 1 13 13 GLY H H 1 8.34 0.02 . 1 . . . . 11 GLY H . 16487 1 50 . 1 1 13 13 GLY C C 13 174.5 0.3 . 1 . . . . 11 GLY C . 16487 1 51 . 1 1 13 13 GLY CA C 13 45.5 0.3 . 1 . . . . 11 GLY CA . 16487 1 52 . 1 1 13 13 GLY N N 15 110.3 0.3 . 1 . . . . 11 GLY N . 16487 1 53 . 1 1 14 14 SER H H 1 8.22 0.02 . 1 . . . . 12 SER H . 16487 1 54 . 1 1 14 14 SER C C 13 173.7 0.3 . 1 . . . . 12 SER C . 16487 1 55 . 1 1 14 14 SER CA C 13 58.6 0.3 . 1 . . . . 12 SER CA . 16487 1 56 . 1 1 14 14 SER CB C 13 64.0 0.3 . 1 . . . . 12 SER CB . 16487 1 57 . 1 1 14 14 SER N N 15 116.3 0.3 . 1 . . . . 12 SER N . 16487 1 58 . 1 1 15 15 CYS H H 1 8.01 0.02 . 1 . . . . 13 CYS H . 16487 1 59 . 1 1 15 15 CYS C C 13 178.7 0.3 . 1 . . . . 13 CYS C . 16487 1 60 . 1 1 15 15 CYS CA C 13 59.5 0.3 . 1 . . . . 13 CYS CA . 16487 1 61 . 1 1 15 15 CYS CB C 13 28.9 0.3 . 1 . . . . 13 CYS CB . 16487 1 62 . 1 1 15 15 CYS N N 15 125.1 0.3 . 1 . . . . 13 CYS N . 16487 1 63 . 1 1 17 17 PRO C C 13 176.7 0.3 . 1 . . . . 15 PRO C . 16487 1 64 . 1 1 17 17 PRO CA C 13 63.0 0.3 . 1 . . . . 15 PRO CA . 16487 1 65 . 1 1 17 17 PRO CB C 13 32.2 0.3 . 1 . . . . 15 PRO CB . 16487 1 66 . 1 1 18 18 VAL H H 1 8.26 0.02 . 1 . . . . 16 VAL H . 16487 1 67 . 1 1 18 18 VAL C C 13 175.5 0.3 . 1 . . . . 16 VAL C . 16487 1 68 . 1 1 18 18 VAL CA C 13 61.9 0.3 . 1 . . . . 16 VAL CA . 16487 1 69 . 1 1 18 18 VAL CB C 13 32.9 0.3 . 1 . . . . 16 VAL CB . 16487 1 70 . 1 1 18 18 VAL N N 15 121.2 0.3 . 1 . . . . 16 VAL N . 16487 1 71 . 1 1 19 19 ALA H H 1 8.32 0.02 . 1 . . . . 17 ALA H . 16487 1 72 . 1 1 19 19 ALA C C 13 175.3 0.3 . 1 . . . . 17 ALA C . 16487 1 73 . 1 1 19 19 ALA CA C 13 50.3 0.3 . 1 . . . . 17 ALA CA . 16487 1 74 . 1 1 19 19 ALA CB C 13 18.3 0.3 . 1 . . . . 17 ALA CB . 16487 1 75 . 1 1 19 19 ALA N N 15 129.6 0.3 . 1 . . . . 17 ALA N . 16487 1 76 . 1 1 20 20 PRO C C 13 177.4 0.3 . 1 . . . . 18 PRO C . 16487 1 77 . 1 1 20 20 PRO CA C 13 63.4 0.3 . 1 . . . . 18 PRO CA . 16487 1 78 . 1 1 20 20 PRO CB C 13 32.0 0.3 . 1 . . . . 18 PRO CB . 16487 1 79 . 1 1 21 21 GLY H H 1 8.44 0.02 . 1 . . . . 19 GLY H . 16487 1 80 . 1 1 21 21 GLY C C 13 174.0 0.3 . 1 . . . . 19 GLY C . 16487 1 81 . 1 1 21 21 GLY CA C 13 45.2 0.3 . 1 . . . . 19 GLY CA . 16487 1 82 . 1 1 21 21 GLY N N 15 110.1 0.3 . 1 . . . . 19 GLY N . 16487 1 83 . 1 1 22 22 LEU H H 1 8.01 0.02 . 1 . . . . 20 LEU H . 16487 1 84 . 1 1 22 22 LEU C C 13 177.4 0.3 . 1 . . . . 20 LEU C . 16487 1 85 . 1 1 22 22 LEU CA C 13 55.0 0.3 . 1 . . . . 20 LEU CA . 16487 1 86 . 1 1 22 22 LEU CB C 13 42.3 0.3 . 1 . . . . 20 LEU CB . 16487 1 87 . 1 1 22 22 LEU N N 15 122.2 0.3 . 1 . . . . 20 LEU N . 16487 1 88 . 1 1 23 23 VAL H H 1 8.10 0.02 . 1 . . . . 21 VAL H . 16487 1 89 . 1 1 23 23 VAL C C 13 176.6 0.3 . 1 . . . . 21 VAL C . 16487 1 90 . 1 1 23 23 VAL CA C 13 62.6 0.3 . 1 . . . . 21 VAL CA . 16487 1 91 . 1 1 23 23 VAL CB C 13 32.6 0.3 . 1 . . . . 21 VAL CB . 16487 1 92 . 1 1 23 23 VAL N N 15 122.0 0.3 . 1 . . . . 21 VAL N . 16487 1 93 . 1 1 24 24 GLY H H 1 8.45 0.02 . 1 . . . . 22 GLY H . 16487 1 94 . 1 1 24 24 GLY C C 13 173.3 0.3 . 1 . . . . 22 GLY C . 16487 1 95 . 1 1 24 24 GLY CA C 13 45.0 0.3 . 1 . . . . 22 GLY CA . 16487 1 96 . 1 1 24 24 GLY N N 15 113.5 0.3 . 1 . . . . 22 GLY N . 16487 1 97 . 1 1 25 25 ALA H H 1 8.03 0.02 . 1 . . . . 23 ALA H . 16487 1 98 . 1 1 25 25 ALA C C 13 175.5 0.3 . 1 . . . . 23 ALA C . 16487 1 99 . 1 1 25 25 ALA CA C 13 50.4 0.3 . 1 . . . . 23 ALA CA . 16487 1 100 . 1 1 25 25 ALA CB C 13 18.3 0.3 . 1 . . . . 23 ALA CB . 16487 1 101 . 1 1 25 25 ALA N N 15 125.5 0.3 . 1 . . . . 23 ALA N . 16487 1 102 . 1 1 26 26 PRO C C 13 176.9 0.3 . 1 . . . . 24 PRO C . 16487 1 103 . 1 1 26 26 PRO CA C 13 62.9 0.3 . 1 . . . . 24 PRO CA . 16487 1 104 . 1 1 26 26 PRO CB C 13 32.1 0.3 . 1 . . . . 24 PRO CB . 16487 1 105 . 1 1 27 27 MET H H 1 8.48 0.02 . 1 . . . . 25 MET H . 16487 1 106 . 1 1 27 27 MET C C 13 176.1 0.3 . 1 . . . . 25 MET C . 16487 1 107 . 1 1 27 27 MET CA C 13 55.4 0.3 . 1 . . . . 25 MET CA . 16487 1 108 . 1 1 27 27 MET CB C 13 32.9 0.3 . 1 . . . . 25 MET CB . 16487 1 109 . 1 1 27 27 MET N N 15 121.2 0.3 . 1 . . . . 25 MET N . 16487 1 110 . 1 1 28 28 THR H H 1 8.17 0.02 . 1 . . . . 26 THR H . 16487 1 111 . 1 1 28 28 THR C C 13 172.8 0.3 . 1 . . . . 26 THR C . 16487 1 112 . 1 1 28 28 THR CA C 13 59.7 0.3 . 1 . . . . 26 THR CA . 16487 1 113 . 1 1 28 28 THR CB C 13 69.7 0.3 . 1 . . . . 26 THR CB . 16487 1 114 . 1 1 28 28 THR N N 15 118.6 0.3 . 1 . . . . 26 THR N . 16487 1 115 . 1 1 29 29 PRO C C 13 177.6 0.3 . 1 . . . . 27 PRO C . 16487 1 116 . 1 1 29 29 PRO CA C 13 63.3 0.3 . 1 . . . . 27 PRO CA . 16487 1 117 . 1 1 29 29 PRO CB C 13 31.9 0.3 . 1 . . . . 27 PRO CB . 16487 1 118 . 1 1 30 30 GLY H H 1 8.39 0.02 . 1 . . . . 28 GLY H . 16487 1 119 . 1 1 30 30 GLY C C 13 174.1 0.3 . 1 . . . . 28 GLY C . 16487 1 120 . 1 1 30 30 GLY CA C 13 45.2 0.3 . 1 . . . . 28 GLY CA . 16487 1 121 . 1 1 30 30 GLY N N 15 109.2 0.3 . 1 . . . . 28 GLY N . 16487 1 122 . 1 1 31 31 VAL H H 1 7.94 0.02 . 1 . . . . 29 VAL H . 16487 1 123 . 1 1 31 31 VAL C C 13 176.7 0.3 . 1 . . . . 29 VAL C . 16487 1 124 . 1 1 31 31 VAL CA C 13 62.4 0.3 . 1 . . . . 29 VAL CA . 16487 1 125 . 1 1 31 31 VAL CB C 13 32.6 0.3 . 1 . . . . 29 VAL CB . 16487 1 126 . 1 1 31 31 VAL N N 15 119.8 0.3 . 1 . . . . 29 VAL N . 16487 1 127 . 1 1 32 32 GLY H H 1 8.50 0.02 . 1 . . . . 30 GLY H . 16487 1 128 . 1 1 32 32 GLY C C 13 173.8 0.3 . 1 . . . . 30 GLY C . 16487 1 129 . 1 1 32 32 GLY CA C 13 45.2 0.3 . 1 . . . . 30 GLY CA . 16487 1 130 . 1 1 32 32 GLY N N 15 112.9 0.3 . 1 . . . . 30 GLY N . 16487 1 131 . 1 1 33 33 ARG H H 1 8.11 0.02 . 1 . . . . 31 ARG H . 16487 1 132 . 1 1 33 33 ARG C C 13 175.9 0.3 . 1 . . . . 31 ARG C . 16487 1 133 . 1 1 33 33 ARG CA C 13 55.9 0.3 . 1 . . . . 31 ARG CA . 16487 1 134 . 1 1 33 33 ARG CB C 13 30.9 0.3 . 1 . . . . 31 ARG CB . 16487 1 135 . 1 1 33 33 ARG N N 15 121.4 0.3 . 1 . . . . 31 ARG N . 16487 1 136 . 1 1 34 34 VAL H H 1 8.19 0.02 . 1 . . . . 32 VAL H . 16487 1 137 . 1 1 34 34 VAL C C 13 175.7 0.3 . 1 . . . . 32 VAL C . 16487 1 138 . 1 1 34 34 VAL CA C 13 62.4 0.3 . 1 . . . . 32 VAL CA . 16487 1 139 . 1 1 34 34 VAL CB C 13 32.8 0.3 . 1 . . . . 32 VAL CB . 16487 1 140 . 1 1 34 34 VAL N N 15 122.9 0.3 . 1 . . . . 32 VAL N . 16487 1 141 . 1 1 35 35 ILE H H 1 8.17 0.02 . 1 . . . . 33 ILE H . 16487 1 142 . 1 1 35 35 ILE C C 13 175.5 0.3 . 1 . . . . 33 ILE C . 16487 1 143 . 1 1 35 35 ILE CA C 13 60.6 0.3 . 1 . . . . 33 ILE CA . 16487 1 144 . 1 1 35 35 ILE CB C 13 38.8 0.3 . 1 . . . . 33 ILE CB . 16487 1 145 . 1 1 35 35 ILE N N 15 125.6 0.3 . 1 . . . . 33 ILE N . 16487 1 146 . 1 1 36 36 TRP H H 1 8.26 0.02 . 1 . . . . 34 TRP H . 16487 1 147 . 1 1 36 36 TRP C C 13 175.7 0.3 . 1 . . . . 34 TRP C . 16487 1 148 . 1 1 36 36 TRP CA C 13 56.9 0.3 . 1 . . . . 34 TRP CA . 16487 1 149 . 1 1 36 36 TRP CB C 13 29.7 0.3 . 1 . . . . 34 TRP CB . 16487 1 150 . 1 1 36 36 TRP N N 15 126.8 0.3 . 1 . . . . 34 TRP N . 16487 1 151 . 1 1 37 37 VAL H H 1 8.06 0.02 . 1 . . . . 35 VAL H . 16487 1 152 . 1 1 37 37 VAL C C 13 175.5 0.3 . 1 . . . . 35 VAL C . 16487 1 153 . 1 1 37 37 VAL CA C 13 61.8 0.3 . 1 . . . . 35 VAL CA . 16487 1 154 . 1 1 37 37 VAL CB C 13 33.2 0.3 . 1 . . . . 35 VAL CB . 16487 1 155 . 1 1 37 37 VAL N N 15 123.6 0.3 . 1 . . . . 35 VAL N . 16487 1 156 . 1 1 38 38 ARG H H 1 8.28 0.02 . 1 . . . . 36 ARG H . 16487 1 157 . 1 1 38 38 ARG C C 13 175.4 0.3 . 1 . . . . 36 ARG C . 16487 1 158 . 1 1 38 38 ARG CA C 13 56.1 0.3 . 1 . . . . 36 ARG CA . 16487 1 159 . 1 1 38 38 ARG CB C 13 30.7 0.3 . 1 . . . . 36 ARG CB . 16487 1 160 . 1 1 38 38 ARG N N 15 125.7 0.3 . 1 . . . . 36 ARG N . 16487 1 161 . 1 1 39 39 SER H H 1 7.97 0.02 . 1 . . . . 37 SER H . 16487 1 162 . 1 1 39 39 SER C C 13 175.2 0.3 . 1 . . . . 37 SER C . 16487 1 163 . 1 1 39 39 SER CA C 13 59.9 0.3 . 1 . . . . 37 SER CA . 16487 1 164 . 1 1 39 39 SER CB C 13 64.8 0.3 . 1 . . . . 37 SER CB . 16487 1 165 . 1 1 39 39 SER N N 15 124.1 0.3 . 1 . . . . 37 SER N . 16487 1 166 . 1 1 40 40 SER C C 13 173.9 0.3 . 1 . . . . 38 SER C . 16487 1 167 . 1 1 40 40 SER CA C 13 58.2 0.3 . 1 . . . . 38 SER CA . 16487 1 168 . 1 1 40 40 SER CB C 13 63.7 0.3 . 1 . . . . 38 SER CB . 16487 1 169 . 1 1 41 41 ILE H H 1 8.13 0.02 . 1 . . . . 39 ILE H . 16487 1 170 . 1 1 41 41 ILE C C 13 174.6 0.3 . 1 . . . . 39 ILE C . 16487 1 171 . 1 1 41 41 ILE CA C 13 58.8 0.3 . 1 . . . . 39 ILE CA . 16487 1 172 . 1 1 41 41 ILE CB C 13 38.6 0.3 . 1 . . . . 39 ILE CB . 16487 1 173 . 1 1 41 41 ILE N N 15 124.4 0.3 . 1 . . . . 39 ILE N . 16487 1 174 . 1 1 42 42 PRO C C 13 176.9 0.3 . 1 . . . . 40 PRO C . 16487 1 175 . 1 1 42 42 PRO CA C 13 63.3 0.3 . 1 . . . . 40 PRO CA . 16487 1 176 . 1 1 42 42 PRO CB C 13 32.0 0.3 . 1 . . . . 40 PRO CB . 16487 1 177 . 1 1 43 43 SER H H 1 8.35 0.02 . 1 . . . . 41 SER H . 16487 1 178 . 1 1 43 43 SER C C 13 174.8 0.3 . 1 . . . . 41 SER C . 16487 1 179 . 1 1 43 43 SER CA C 13 58.4 0.3 . 1 . . . . 41 SER CA . 16487 1 180 . 1 1 43 43 SER CB C 13 63.9 0.3 . 1 . . . . 41 SER CB . 16487 1 181 . 1 1 43 43 SER N N 15 116.8 0.3 . 1 . . . . 41 SER N . 16487 1 182 . 1 1 44 44 ARG H H 1 8.36 0.02 . 1 . . . . 42 ARG H . 16487 1 183 . 1 1 44 44 ARG C C 13 175.8 0.3 . 1 . . . . 42 ARG C . 16487 1 184 . 1 1 44 44 ARG CA C 13 56.0 0.3 . 1 . . . . 42 ARG CA . 16487 1 185 . 1 1 44 44 ARG CB C 13 30.7 0.3 . 1 . . . . 42 ARG CB . 16487 1 186 . 1 1 44 44 ARG N N 15 123.7 0.3 . 1 . . . . 42 ARG N . 16487 1 187 . 1 1 45 45 ALA H H 1 8.28 0.02 . 1 . . . . 43 ALA H . 16487 1 188 . 1 1 45 45 ALA C C 13 177.3 0.3 . 1 . . . . 43 ALA C . 16487 1 189 . 1 1 45 45 ALA CA C 13 52.3 0.3 . 1 . . . . 43 ALA CA . 16487 1 190 . 1 1 45 45 ALA CB C 13 19.3 0.3 . 1 . . . . 43 ALA CB . 16487 1 191 . 1 1 45 45 ALA N N 15 125.9 0.3 . 1 . . . . 43 ALA N . 16487 1 192 . 1 1 46 46 ALA H H 1 8.22 0.02 . 1 . . . . 44 ALA H . 16487 1 193 . 1 1 46 46 ALA C C 13 177.4 0.3 . 1 . . . . 44 ALA C . 16487 1 194 . 1 1 46 46 ALA CA C 13 52.2 0.3 . 1 . . . . 44 ALA CA . 16487 1 195 . 1 1 46 46 ALA CB C 13 19.1 0.3 . 1 . . . . 44 ALA CB . 16487 1 196 . 1 1 46 46 ALA N N 15 123.9 0.3 . 1 . . . . 44 ALA N . 16487 1 197 . 1 1 47 47 SER H H 1 8.24 0.02 . 1 . . . . 45 SER H . 16487 1 198 . 1 1 47 47 SER C C 13 172.9 0.3 . 1 . . . . 45 SER C . 16487 1 199 . 1 1 47 47 SER CA C 13 56.2 0.3 . 1 . . . . 45 SER CA . 16487 1 200 . 1 1 47 47 SER CB C 13 63.3 0.3 . 1 . . . . 45 SER CB . 16487 1 201 . 1 1 47 47 SER N N 15 117.0 0.3 . 1 . . . . 45 SER N . 16487 1 202 . 1 1 48 48 PRO C C 13 177.2 0.3 . 1 . . . . 46 PRO C . 16487 1 203 . 1 1 48 48 PRO CA C 13 63.4 0.3 . 1 . . . . 46 PRO CA . 16487 1 204 . 1 1 48 48 PRO CB C 13 31.9 0.3 . 1 . . . . 46 PRO CB . 16487 1 205 . 1 1 49 49 THR H H 1 8.12 0.02 . 1 . . . . 47 THR H . 16487 1 206 . 1 1 49 49 THR C C 13 174.8 0.3 . 1 . . . . 47 THR C . 16487 1 207 . 1 1 49 49 THR CA C 13 61.9 0.3 . 1 . . . . 47 THR CA . 16487 1 208 . 1 1 49 49 THR CB C 13 69.6 0.3 . 1 . . . . 47 THR CB . 16487 1 209 . 1 1 49 49 THR N N 15 113.6 0.3 . 1 . . . . 47 THR N . 16487 1 210 . 1 1 50 50 SER H H 1 8.11 0.02 . 1 . . . . 48 SER H . 16487 1 211 . 1 1 50 50 SER C C 13 174.3 0.3 . 1 . . . . 48 SER C . 16487 1 212 . 1 1 50 50 SER CA C 13 58.4 0.3 . 1 . . . . 48 SER CA . 16487 1 213 . 1 1 50 50 SER CB C 13 63.6 0.3 . 1 . . . . 48 SER CB . 16487 1 214 . 1 1 50 50 SER N N 15 118.1 0.3 . 1 . . . . 48 SER N . 16487 1 215 . 1 1 51 51 TRP H H 1 8.09 0.02 . 1 . . . . 49 TRP H . 16487 1 216 . 1 1 51 51 TRP C C 13 176.7 0.3 . 1 . . . . 49 TRP C . 16487 1 217 . 1 1 51 51 TRP CA C 13 57.4 0.3 . 1 . . . . 49 TRP CA . 16487 1 218 . 1 1 51 51 TRP CB C 13 29.7 0.3 . 1 . . . . 49 TRP CB . 16487 1 219 . 1 1 51 51 TRP N N 15 123.4 0.3 . 1 . . . . 49 TRP N . 16487 1 220 . 1 1 52 52 GLY H H 1 8.18 0.02 . 1 . . . . 50 GLY H . 16487 1 221 . 1 1 52 52 GLY C C 13 174.2 0.3 . 1 . . . . 50 GLY C . 16487 1 222 . 1 1 52 52 GLY CA C 13 45.4 0.3 . 1 . . . . 50 GLY CA . 16487 1 223 . 1 1 52 52 GLY N N 15 110.5 0.3 . 1 . . . . 50 GLY N . 16487 1 224 . 1 1 53 53 THR H H 1 7.93 0.02 . 1 . . . . 51 THR H . 16487 1 225 . 1 1 53 53 THR C C 13 174.3 0.3 . 1 . . . . 51 THR C . 16487 1 226 . 1 1 53 53 THR CA C 13 62.0 0.3 . 1 . . . . 51 THR CA . 16487 1 227 . 1 1 53 53 THR CB C 13 69.6 0.3 . 1 . . . . 51 THR CB . 16487 1 228 . 1 1 53 53 THR N N 15 114.3 0.3 . 1 . . . . 51 THR N . 16487 1 229 . 1 1 54 54 PHE H H 1 8.24 0.02 . 1 . . . . 52 PHE H . 16487 1 230 . 1 1 54 54 PHE C C 13 175.4 0.3 . 1 . . . . 52 PHE C . 16487 1 231 . 1 1 54 54 PHE CA C 13 57.7 0.3 . 1 . . . . 52 PHE CA . 16487 1 232 . 1 1 54 54 PHE CB C 13 39.4 0.3 . 1 . . . . 52 PHE CB . 16487 1 233 . 1 1 54 54 PHE N N 15 123.2 0.3 . 1 . . . . 52 PHE N . 16487 1 234 . 1 1 55 55 ARG H H 1 8.17 0.02 . 1 . . . . 53 ARG H . 16487 1 235 . 1 1 55 55 ARG C C 13 176.0 0.3 . 1 . . . . 53 ARG C . 16487 1 236 . 1 1 55 55 ARG CA C 13 55.8 0.3 . 1 . . . . 53 ARG CA . 16487 1 237 . 1 1 55 55 ARG CB C 13 31.0 0.3 . 1 . . . . 53 ARG CB . 16487 1 238 . 1 1 55 55 ARG N N 15 123.7 0.3 . 1 . . . . 53 ARG N . 16487 1 239 . 1 1 56 56 SER H H 1 8.32 0.02 . 1 . . . . 54 SER H . 16487 1 240 . 1 1 56 56 SER C C 13 174.5 0.3 . 1 . . . . 54 SER C . 16487 1 241 . 1 1 56 56 SER CA C 13 58.2 0.3 . 1 . . . . 54 SER CA . 16487 1 242 . 1 1 56 56 SER CB C 13 63.8 0.3 . 1 . . . . 54 SER CB . 16487 1 243 . 1 1 56 56 SER N N 15 117.9 0.3 . 1 . . . . 54 SER N . 16487 1 244 . 1 1 57 57 SER H H 1 8.31 0.02 . 1 . . . . 55 SER H . 16487 1 245 . 1 1 57 57 SER C C 13 173.5 0.3 . 1 . . . . 55 SER C . 16487 1 246 . 1 1 57 57 SER CA C 13 58.0 0.3 . 1 . . . . 55 SER CA . 16487 1 247 . 1 1 57 57 SER CB C 13 64.0 0.3 . 1 . . . . 55 SER CB . 16487 1 248 . 1 1 57 57 SER N N 15 118.4 0.3 . 1 . . . . 55 SER N . 16487 1 249 . 1 1 58 58 ALA H H 1 8.20 0.02 . 1 . . . . 56 ALA H . 16487 1 250 . 1 1 58 58 ALA C C 13 174.7 0.3 . 1 . . . . 56 ALA C . 16487 1 251 . 1 1 58 58 ALA CA C 13 50.4 0.3 . 1 . . . . 56 ALA CA . 16487 1 252 . 1 1 58 58 ALA CB C 13 18.1 0.3 . 1 . . . . 56 ALA CB . 16487 1 253 . 1 1 58 58 ALA N N 15 127.5 0.3 . 1 . . . . 56 ALA N . 16487 1 stop_ save_