data_17011 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17011 _Entry.Title ; s34r structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-21 _Entry.Accession_date 2010-06-21 _Entry.Last_release_date 2012-04-10 _Entry.Original_release_date 2012-04-10 _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 'E2[296-331] segment of Hepaptitis C Virus' _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 Roland Montserret . . . 17011 2 Jean Dubuisson . . . 17011 3 Francois Penin . . . 17011 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17011 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E2 structural protein' . 17011 HCV . 17011 'membrane protein' . 17011 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17011 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 125 17011 '1H chemical shifts' 263 17011 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 . . 2012-04-10 2010-06-21 original author . 17011 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KZQ 'BMRB Entry Tracking System' 17011 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17011 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21147916 _Citation.Full_citation . _Citation.Title 'Identification of new functional regions in hepatitis C virus envelope glycoprotein E2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full . _Citation.Journal_volume 85 _Citation.Journal_issue 4 _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 1777 _Citation.Page_last 1792 _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.Entry_ID _Citation_author.Citation_ID 1 Anna Albecka . . . 17011 1 2 Roland Montserret . . . 17011 1 3 Thomas Krey . . . 17011 1 4 Alexander Tarr . W. . 17011 1 5 Eric Diesis . . . 17011 1 6 Jonathan Ball . K. . 17011 1 7 Veronique Descamps . . . 17011 1 8 Gilles Duverlie . . . 17011 1 9 Felix Rey . . . 17011 1 10 Francois Penin . . . 17011 1 11 Jean Dubuisson . . . 17011 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E2 structural protein' 17011 1 'HCV virus' 17011 1 'Membrane protein' 17011 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17011 _Assembly.ID 1 _Assembly.Name 'E2[296-331] segment of Hepaptitis C Virus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 s34r 1 $s34r A . yes native no no . . . 17011 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_s34r _Entity.Sf_category entity _Entity.Sf_framecode s34r _Entity.Entry_ID 17011 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name s34r _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 ; SDLPALSTGLLHLHQNIVDV QYMYGLSPAITKYVVR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 296-331 _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'E2[296-331] segment' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4031.715 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KZQ . "S34r Structure" . . . . . 100.00 36 100.00 100.00 4.96e-16 . . . . 17011 1 2 no DBJ BAA00969 . "structural protein, partial [Hepatitis C virus]" . . . . . 100.00 737 97.22 100.00 6.22e-15 . . . . 17011 1 3 no DBJ BAB32872 . "polyprotein [Hepatitis C virus (isolate JFH-1)] [Hepatitis C virus JFH-1]" . . . . . 100.00 3033 100.00 100.00 9.72e-15 . . . . 17011 1 4 no DBJ BAB32875 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3033 97.22 100.00 2.28e-14 . . . . 17011 1 5 no DBJ BAB32876 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3032 97.22 100.00 2.24e-14 . . . . 17011 1 6 no DBJ BAB32877 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3033 97.22 100.00 2.59e-14 . . . . 17011 1 7 no GB AAF25611 . "polyprotein [Hepatitis C virus subtype 2a]" . . . . . 100.00 3032 97.22 97.22 6.25e-14 . . . . 17011 1 8 no GB AAF59943 . "polyprotein [Hepatitis C virus subtype 2a]" . . . . . 100.00 3033 97.22 100.00 2.56e-14 . . . . 17011 1 9 no GB AAF59944 . "polyprotein [Hepatitis C virus subtype 2a]" . . . . . 100.00 3033 97.22 100.00 2.56e-14 . . . . 17011 1 10 no GB ABP88215 . "envelope glycoprotein [synthetic construct]" . . . . . 100.00 584 97.22 100.00 5.05e-15 . . . . 17011 1 11 no GB ADU33368 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3033 97.22 100.00 2.99e-14 . . . . 17011 1 12 no SP P27960 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 737 97.22 100.00 6.22e-15 . . . . 17011 1 13 no SP Q99IB8 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3033 100.00 100.00 9.72e-15 . . . . 17011 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 17011 1 2 . ASP . 17011 1 3 . LEU . 17011 1 4 . PRO . 17011 1 5 . ALA . 17011 1 6 . LEU . 17011 1 7 . SER . 17011 1 8 . THR . 17011 1 9 . GLY . 17011 1 10 . LEU . 17011 1 11 . LEU . 17011 1 12 . HIS . 17011 1 13 . LEU . 17011 1 14 . HIS . 17011 1 15 . GLN . 17011 1 16 . ASN . 17011 1 17 . ILE . 17011 1 18 . VAL . 17011 1 19 . ASP . 17011 1 20 . VAL . 17011 1 21 . GLN . 17011 1 22 . TYR . 17011 1 23 . MET . 17011 1 24 . TYR . 17011 1 25 . GLY . 17011 1 26 . LEU . 17011 1 27 . SER . 17011 1 28 . PRO . 17011 1 29 . ALA . 17011 1 30 . ILE . 17011 1 31 . THR . 17011 1 32 . LYS . 17011 1 33 . TYR . 17011 1 34 . VAL . 17011 1 35 . VAL . 17011 1 36 . ARG . 17011 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 . SER 1 1 17011 1 . ASP 2 2 17011 1 . LEU 3 3 17011 1 . PRO 4 4 17011 1 . ALA 5 5 17011 1 . LEU 6 6 17011 1 . SER 7 7 17011 1 . THR 8 8 17011 1 . GLY 9 9 17011 1 . LEU 10 10 17011 1 . LEU 11 11 17011 1 . HIS 12 12 17011 1 . LEU 13 13 17011 1 . HIS 14 14 17011 1 . GLN 15 15 17011 1 . ASN 16 16 17011 1 . ILE 17 17 17011 1 . VAL 18 18 17011 1 . ASP 19 19 17011 1 . VAL 20 20 17011 1 . GLN 21 21 17011 1 . TYR 22 22 17011 1 . MET 23 23 17011 1 . TYR 24 24 17011 1 . GLY 25 25 17011 1 . LEU 26 26 17011 1 . SER 27 27 17011 1 . PRO 28 28 17011 1 . ALA 29 29 17011 1 . ILE 30 30 17011 1 . THR 31 31 17011 1 . LYS 32 32 17011 1 . TYR 33 33 17011 1 . VAL 34 34 17011 1 . VAL 35 35 17011 1 . ARG 36 36 17011 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 17011 _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 $s34r . 11103 virus . 'hepatitris C virus' 'hepatitris C virus' . 00.026.0.03.001. virus . Hepacivirus 'hepatitris C virus' . . . . . . . . . . . . . . . . . . . . . 17011 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 17011 _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 $s34r . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17011 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17011 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 trifluoroethanol 'natural abundance' . . . . . . 50 . . % . . . . 17011 1 2 H2O 'natural abundance' . . . . . . 50 . . % . . . . 17011 1 3 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 17011 1 4 s34r 'natural abundance' . . 1 $s34r . . 2 . . mM . . . . 17011 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 17011 _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 . pH 17011 1 pressure 1 . atm 17011 1 temperature 298 . K 17011 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17011 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17011 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17011 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17011 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17011 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17011 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 17011 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17011 _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 . 500 . . . 17011 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 17011 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17011 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17011 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17011 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 17011 _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 protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17011 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17011 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 17011 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 17011 1 3 '2D 1H-13C HSQC' . . . 17011 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 17011 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 1 1 SER HA H 1 4.22 0.01 . 1 . . . . 1 SER HA . 17011 1 2 . 1 1 1 1 SER HB2 H 1 4.05 0.01 . 1 . . . . 1 SER HB2 . 17011 1 3 . 1 1 1 1 SER HB3 H 1 4.05 0.01 . 1 . . . . 1 SER HB3 . 17011 1 4 . 1 1 1 1 SER CA C 13 58.00 0.01 . 1 . . . . 1 SER CA . 17011 1 5 . 1 1 1 1 SER CB C 13 63.71 0.01 . 1 . . . . 1 SER CB . 17011 1 6 . 1 1 2 2 ASP H H 1 8.73 0.01 . 1 . . . . 2 ASP H . 17011 1 7 . 1 1 2 2 ASP HA H 1 4.97 0.01 . 1 . . . . 2 ASP HA . 17011 1 8 . 1 1 2 2 ASP HB2 H 1 3.03 0.01 . 2 . . . . 2 ASP HB2 . 17011 1 9 . 1 1 2 2 ASP HB3 H 1 2.86 0.01 . 2 . . . . 2 ASP HB3 . 17011 1 10 . 1 1 2 2 ASP CA C 13 53.42 0.01 . 1 . . . . 2 ASP CA . 17011 1 11 . 1 1 2 2 ASP CB C 13 39.03 0.01 . 1 . . . . 2 ASP CB . 17011 1 12 . 1 1 3 3 LEU H H 1 8.17 0.01 . 1 . . . . 3 LEU H . 17011 1 13 . 1 1 3 3 LEU HA H 1 4.55 0.01 . 1 . . . . 3 LEU HA . 17011 1 14 . 1 1 3 3 LEU HB2 H 1 1.73 0.01 . 2 . . . . 3 LEU HB2 . 17011 1 15 . 1 1 3 3 LEU HB3 H 1 1.67 0.01 . 2 . . . . 3 LEU HB3 . 17011 1 16 . 1 1 3 3 LEU HD11 H 1 1.01 0.01 . 2 . . . . 3 LEU MD1 . 17011 1 17 . 1 1 3 3 LEU HD12 H 1 1.01 0.01 . 2 . . . . 3 LEU MD1 . 17011 1 18 . 1 1 3 3 LEU HD13 H 1 1.01 0.01 . 2 . . . . 3 LEU MD1 . 17011 1 19 . 1 1 3 3 LEU HD21 H 1 0.97 0.01 . 2 . . . . 3 LEU MD2 . 17011 1 20 . 1 1 3 3 LEU HD22 H 1 0.97 0.01 . 2 . . . . 3 LEU MD2 . 17011 1 21 . 1 1 3 3 LEU HD23 H 1 0.97 0.01 . 2 . . . . 3 LEU MD2 . 17011 1 22 . 1 1 3 3 LEU CA C 13 57.05 0.01 . 1 . . . . 3 LEU CA . 17011 1 23 . 1 1 3 3 LEU CB C 13 41.65 0.01 . 1 . . . . 3 LEU CB . 17011 1 24 . 1 1 3 3 LEU CD1 C 13 24.86 0.01 . 2 . . . . 3 LEU CD1 . 17011 1 25 . 1 1 3 3 LEU CD2 C 13 25.11 0.01 . 2 . . . . 3 LEU CD2 . 17011 1 26 . 1 1 4 4 PRO HA H 1 4.38 0.01 . 1 . . . . 4 PRO HA . 17011 1 27 . 1 1 4 4 PRO HB2 H 1 2.38 0.01 . 2 . . . . 4 PRO HB2 . 17011 1 28 . 1 1 4 4 PRO HB3 H 1 1.95 0.01 . 2 . . . . 4 PRO HB3 . 17011 1 29 . 1 1 4 4 PRO HD2 H 1 3.81 0.01 . 2 . . . . 4 PRO HD2 . 17011 1 30 . 1 1 4 4 PRO HD3 H 1 3.74 0.01 . 2 . . . . 4 PRO HD3 . 17011 1 31 . 1 1 4 4 PRO HG2 H 1 2.17 0.01 . 2 . . . . 4 PRO HG2 . 17011 1 32 . 1 1 4 4 PRO HG3 H 1 2.01 0.01 . 2 . . . . 4 PRO HG3 . 17011 1 33 . 1 1 4 4 PRO CA C 13 65.96 0.01 . 1 . . . . 4 PRO CA . 17011 1 34 . 1 1 4 4 PRO CB C 13 31.99 0.01 . 1 . . . . 4 PRO CB . 17011 1 35 . 1 1 4 4 PRO CD C 13 51.14 0.01 . 1 . . . . 4 PRO CD . 17011 1 36 . 1 1 4 4 PRO CG C 13 28.43 0.01 . 1 . . . . 4 PRO CG . 17011 1 37 . 1 1 5 5 ALA H H 1 7.78 0.01 . 1 . . . . 5 ALA H . 17011 1 38 . 1 1 5 5 ALA HA H 1 4.25 0.01 . 1 . . . . 5 ALA HA . 17011 1 39 . 1 1 5 5 ALA HB1 H 1 1.51 0.01 . 1 . . . . 5 ALA MB . 17011 1 40 . 1 1 5 5 ALA HB2 H 1 1.51 0.01 . 1 . . . . 5 ALA MB . 17011 1 41 . 1 1 5 5 ALA HB3 H 1 1.51 0.01 . 1 . . . . 5 ALA MB . 17011 1 42 . 1 1 5 5 ALA CA C 13 54.96 0.01 . 1 . . . . 5 ALA CA . 17011 1 43 . 1 1 5 5 ALA CB C 13 18.90 0.01 . 1 . . . . 5 ALA CB . 17011 1 44 . 1 1 6 6 LEU H H 1 7.99 0.01 . 1 . . . . 6 LEU H . 17011 1 45 . 1 1 6 6 LEU HA H 1 4.28 0.01 . 1 . . . . 6 LEU HA . 17011 1 46 . 1 1 6 6 LEU HB2 H 1 1.75 0.01 . 1 . . . . 6 LEU HB2 . 17011 1 47 . 1 1 6 6 LEU HB3 H 1 1.75 0.01 . 1 . . . . 6 LEU HB3 . 17011 1 48 . 1 1 6 6 LEU HD11 H 1 0.93 0.01 . 1 . . . . 6 LEU MD1 . 17011 1 49 . 1 1 6 6 LEU HD12 H 1 0.93 0.01 . 1 . . . . 6 LEU MD1 . 17011 1 50 . 1 1 6 6 LEU HD13 H 1 0.93 0.01 . 1 . . . . 6 LEU MD1 . 17011 1 51 . 1 1 6 6 LEU HD21 H 1 0.93 0.01 . 1 . . . . 6 LEU MD2 . 17011 1 52 . 1 1 6 6 LEU HD22 H 1 0.93 0.01 . 1 . . . . 6 LEU MD2 . 17011 1 53 . 1 1 6 6 LEU HD23 H 1 0.93 0.01 . 1 . . . . 6 LEU MD2 . 17011 1 54 . 1 1 6 6 LEU CA C 13 58.02 0.01 . 1 . . . . 6 LEU CA . 17011 1 55 . 1 1 6 6 LEU CB C 13 43.05 0.01 . 1 . . . . 6 LEU CB . 17011 1 56 . 1 1 6 6 LEU CD1 C 13 23.39 0.01 . 2 . . . . 6 LEU CD1 . 17011 1 57 . 1 1 7 7 SER H H 1 8.25 0.01 . 1 . . . . 7 SER H . 17011 1 58 . 1 1 7 7 SER HA H 1 4.24 0.01 . 1 . . . . 7 SER HA . 17011 1 59 . 1 1 7 7 SER CA C 13 61.86 0.01 . 1 . . . . 7 SER CA . 17011 1 60 . 1 1 8 8 THR H H 1 7.95 0.01 . 1 . . . . 8 THR H . 17011 1 61 . 1 1 8 8 THR HA H 1 4.08 0.01 . 1 . . . . 8 THR HA . 17011 1 62 . 1 1 8 8 THR HB H 1 4.31 0.01 . 1 . . . . 8 THR HB . 17011 1 63 . 1 1 8 8 THR HG21 H 1 1.32 0.01 . 1 . . . . 8 THR MG . 17011 1 64 . 1 1 8 8 THR HG22 H 1 1.32 0.01 . 1 . . . . 8 THR MG . 17011 1 65 . 1 1 8 8 THR HG23 H 1 1.32 0.01 . 1 . . . . 8 THR MG . 17011 1 66 . 1 1 8 8 THR CA C 13 66.70 0.01 . 1 . . . . 8 THR CA . 17011 1 67 . 1 1 8 8 THR CB C 13 69.60 0.01 . 1 . . . . 8 THR CB . 17011 1 68 . 1 1 8 8 THR CG2 C 13 22.13 0.01 . 1 . . . . 8 THR CG2 . 17011 1 69 . 1 1 9 9 GLY H H 1 8.25 0.01 . 1 . . . . 9 GLY H . 17011 1 70 . 1 1 9 9 GLY HA2 H 1 3.96 0.01 . 1 . . . . 9 GLY HA2 . 17011 1 71 . 1 1 9 9 GLY HA3 H 1 3.96 0.01 . 1 . . . . 9 GLY HA3 . 17011 1 72 . 1 1 9 9 GLY CA C 13 47.95 0.01 . 1 . . . . 9 GLY CA . 17011 1 73 . 1 1 10 10 LEU H H 1 8.28 0.01 . 1 . . . . 10 LEU H . 17011 1 74 . 1 1 10 10 LEU HA H 1 4.24 0.01 . 1 . . . . 10 LEU HA . 17011 1 75 . 1 1 10 10 LEU HB2 H 1 1.94 0.01 . 2 . . . . 10 LEU HB2 . 17011 1 76 . 1 1 10 10 LEU HB3 H 1 1.61 0.01 . 2 . . . . 10 LEU HB3 . 17011 1 77 . 1 1 10 10 LEU HD11 H 1 0.98 0.01 . 2 . . . . 10 LEU MD1 . 17011 1 78 . 1 1 10 10 LEU HD12 H 1 0.98 0.01 . 2 . . . . 10 LEU MD1 . 17011 1 79 . 1 1 10 10 LEU HD13 H 1 0.98 0.01 . 2 . . . . 10 LEU MD1 . 17011 1 80 . 1 1 10 10 LEU HD21 H 1 0.94 0.01 . 2 . . . . 10 LEU MD2 . 17011 1 81 . 1 1 10 10 LEU HD22 H 1 0.94 0.01 . 2 . . . . 10 LEU MD2 . 17011 1 82 . 1 1 10 10 LEU HD23 H 1 0.94 0.01 . 2 . . . . 10 LEU MD2 . 17011 1 83 . 1 1 10 10 LEU CA C 13 58.73 0.01 . 1 . . . . 10 LEU CA . 17011 1 84 . 1 1 10 10 LEU CB C 13 42.63 0.01 . 1 . . . . 10 LEU CB . 17011 1 85 . 1 1 10 10 LEU CD1 C 13 24.48 0.01 . 2 . . . . 10 LEU CD1 . 17011 1 86 . 1 1 10 10 LEU CD2 C 13 24.19 0.01 . 2 . . . . 10 LEU CD2 . 17011 1 87 . 1 1 11 11 LEU H H 1 8.16 0.01 . 1 . . . . 11 LEU H . 17011 1 88 . 1 1 11 11 LEU HA H 1 4.19 0.01 . 1 . . . . 11 LEU HA . 17011 1 89 . 1 1 11 11 LEU HB2 H 1 1.91 0.01 . 2 . . . . 11 LEU HB2 . 17011 1 90 . 1 1 11 11 LEU HB3 H 1 1.68 0.01 . 2 . . . . 11 LEU HB3 . 17011 1 91 . 1 1 11 11 LEU HD21 H 1 0.90 0.01 . 2 . . . . 11 LEU MD2 . 17011 1 92 . 1 1 11 11 LEU HD22 H 1 0.90 0.01 . 2 . . . . 11 LEU MD2 . 17011 1 93 . 1 1 11 11 LEU HD23 H 1 0.90 0.01 . 2 . . . . 11 LEU MD2 . 17011 1 94 . 1 1 11 11 LEU HG H 1 1.77 0.01 . 1 . . . . 11 LEU HG . 17011 1 95 . 1 1 11 11 LEU CA C 13 58.59 0.01 . 1 . . . . 11 LEU CA . 17011 1 96 . 1 1 11 11 LEU CB C 13 42.33 0.01 . 1 . . . . 11 LEU CB . 17011 1 97 . 1 1 11 11 LEU CD2 C 13 23.86 0.01 . 2 . . . . 11 LEU CD2 . 17011 1 98 . 1 1 11 11 LEU CG C 13 27.80 0.01 . 1 . . . . 11 LEU CG . 17011 1 99 . 1 1 12 12 HIS H H 1 8.20 0.01 . 1 . . . . 12 HIS H . 17011 1 100 . 1 1 12 12 HIS HA H 1 4.49 0.01 . 1 . . . . 12 HIS HA . 17011 1 101 . 1 1 12 12 HIS HB2 H 1 3.44 0.01 . 1 . . . . 12 HIS HB2 . 17011 1 102 . 1 1 12 12 HIS HB3 H 1 3.44 0.01 . 1 . . . . 12 HIS HB3 . 17011 1 103 . 1 1 12 12 HIS HD2 H 1 7.40 0.01 . 1 . . . . 12 HIS HD2 . 17011 1 104 . 1 1 12 12 HIS HE1 H 1 8.59 0.01 . 1 . . . . 12 HIS HE1 . 17011 1 105 . 1 1 12 12 HIS CA C 13 59.38 0.01 . 1 . . . . 12 HIS CA . 17011 1 106 . 1 1 12 12 HIS CB C 13 28.65 0.01 . 1 . . . . 12 HIS CB . 17011 1 107 . 1 1 12 12 HIS CD2 C 13 120.84 0.01 . 1 . . . . 12 HIS CD2 . 17011 1 108 . 1 1 12 12 HIS CE1 C 13 137.01 0.01 . 1 . . . . 12 HIS CE1 . 17011 1 109 . 1 1 13 13 LEU H H 1 8.44 0.01 . 1 . . . . 13 LEU H . 17011 1 110 . 1 1 13 13 LEU HA H 1 4.22 0.01 . 1 . . . . 13 LEU HA . 17011 1 111 . 1 1 13 13 LEU HB2 H 1 1.94 0.01 . 2 . . . . 13 LEU HB2 . 17011 1 112 . 1 1 13 13 LEU HB3 H 1 1.84 0.01 . 2 . . . . 13 LEU HB3 . 17011 1 113 . 1 1 13 13 LEU HD11 H 1 1.00 0.01 . 2 . . . . 13 LEU MD1 . 17011 1 114 . 1 1 13 13 LEU HD12 H 1 1.00 0.01 . 2 . . . . 13 LEU MD1 . 17011 1 115 . 1 1 13 13 LEU HD13 H 1 1.00 0.01 . 2 . . . . 13 LEU MD1 . 17011 1 116 . 1 1 13 13 LEU HD21 H 1 0.95 0.01 . 2 . . . . 13 LEU MD2 . 17011 1 117 . 1 1 13 13 LEU HD22 H 1 0.95 0.01 . 2 . . . . 13 LEU MD2 . 17011 1 118 . 1 1 13 13 LEU HD23 H 1 0.95 0.01 . 2 . . . . 13 LEU MD2 . 17011 1 119 . 1 1 13 13 LEU HG H 1 1.74 0.01 . 1 . . . . 13 LEU HG . 17011 1 120 . 1 1 13 13 LEU CA C 13 59.10 0.01 . 1 . . . . 13 LEU CA . 17011 1 121 . 1 1 13 13 LEU CB C 13 42.59 0.01 . 1 . . . . 13 LEU CB . 17011 1 122 . 1 1 13 13 LEU CD1 C 13 24.01 0.01 . 2 . . . . 13 LEU CD1 . 17011 1 123 . 1 1 13 13 LEU CD2 C 13 24.81 0.01 . 2 . . . . 13 LEU CD2 . 17011 1 124 . 1 1 13 13 LEU CG C 13 27.82 0.01 . 1 . . . . 13 LEU CG . 17011 1 125 . 1 1 14 14 HIS H H 1 8.58 0.01 . 1 . . . . 14 HIS H . 17011 1 126 . 1 1 14 14 HIS HA H 1 4.26 0.01 . 1 . . . . 14 HIS HA . 17011 1 127 . 1 1 14 14 HIS HB2 H 1 3.44 0.01 . 1 . . . . 14 HIS HB2 . 17011 1 128 . 1 1 14 14 HIS HB3 H 1 3.44 0.01 . 1 . . . . 14 HIS HB3 . 17011 1 129 . 1 1 14 14 HIS HD2 H 1 7.28 0.01 . 1 . . . . 14 HIS HD2 . 17011 1 130 . 1 1 14 14 HIS HE1 H 1 8.51 0.01 . 1 . . . . 14 HIS HE1 . 17011 1 131 . 1 1 14 14 HIS CA C 13 58.77 0.01 . 1 . . . . 14 HIS CA . 17011 1 132 . 1 1 14 14 HIS CB C 13 28.65 0.01 . 1 . . . . 14 HIS CB . 17011 1 133 . 1 1 14 14 HIS CD2 C 13 120.68 0.01 . 1 . . . . 14 HIS CD2 . 17011 1 134 . 1 1 14 14 HIS CE1 C 13 136.74 0.01 . 1 . . . . 14 HIS CE1 . 17011 1 135 . 1 1 15 15 GLN H H 1 8.23 0.01 . 1 . . . . 15 GLN H . 17011 1 136 . 1 1 15 15 GLN HA H 1 3.99 0.01 . 1 . . . . 15 GLN HA . 17011 1 137 . 1 1 15 15 GLN HB2 H 1 2.30 0.01 . 2 . . . . 15 GLN HB2 . 17011 1 138 . 1 1 15 15 GLN HB3 H 1 2.22 0.01 . 2 . . . . 15 GLN HB3 . 17011 1 139 . 1 1 15 15 GLN HE21 H 1 7.27 0.01 . 2 . . . . 15 GLN HE21 . 17011 1 140 . 1 1 15 15 GLN HE22 H 1 6.63 0.01 . 2 . . . . 15 GLN HE22 . 17011 1 141 . 1 1 15 15 GLN HG2 H 1 2.50 0.01 . 2 . . . . 15 GLN HG2 . 17011 1 142 . 1 1 15 15 GLN HG3 H 1 2.45 0.01 . 2 . . . . 15 GLN HG3 . 17011 1 143 . 1 1 15 15 GLN CA C 13 59.12 0.01 . 1 . . . . 15 GLN CA . 17011 1 144 . 1 1 15 15 GLN CB C 13 29.27 0.01 . 1 . . . . 15 GLN CB . 17011 1 145 . 1 1 15 15 GLN CG C 13 34.50 0.01 . 1 . . . . 15 GLN CG . 17011 1 146 . 1 1 16 16 ASN H H 1 8.15 0.01 . 1 . . . . 16 ASN H . 17011 1 147 . 1 1 16 16 ASN HA H 1 4.54 0.01 . 1 . . . . 16 ASN HA . 17011 1 148 . 1 1 16 16 ASN HB2 H 1 3.04 0.01 . 2 . . . . 16 ASN HB2 . 17011 1 149 . 1 1 16 16 ASN HB3 H 1 2.87 0.01 . 2 . . . . 16 ASN HB3 . 17011 1 150 . 1 1 16 16 ASN HD21 H 1 7.05 0.01 . 2 . . . . 16 ASN HD21 . 17011 1 151 . 1 1 16 16 ASN HD22 H 1 6.62 0.01 . 2 . . . . 16 ASN HD22 . 17011 1 152 . 1 1 16 16 ASN CA C 13 56.82 0.01 . 1 . . . . 16 ASN CA . 17011 1 153 . 1 1 16 16 ASN CB C 13 38.88 0.01 . 1 . . . . 16 ASN CB . 17011 1 154 . 1 1 17 17 ILE H H 1 8.11 0.01 . 1 . . . . 17 ILE H . 17011 1 155 . 1 1 17 17 ILE HA H 1 3.83 0.01 . 1 . . . . 17 ILE HA . 17011 1 156 . 1 1 17 17 ILE HB H 1 1.97 0.01 . 1 . . . . 17 ILE HB . 17011 1 157 . 1 1 17 17 ILE HD11 H 1 0.87 0.01 . 1 . . . . 17 ILE MD . 17011 1 158 . 1 1 17 17 ILE HD12 H 1 0.87 0.01 . 1 . . . . 17 ILE MD . 17011 1 159 . 1 1 17 17 ILE HD13 H 1 0.87 0.01 . 1 . . . . 17 ILE MD . 17011 1 160 . 1 1 17 17 ILE HG12 H 1 1.77 0.01 . 2 . . . . 17 ILE HG12 . 17011 1 161 . 1 1 17 17 ILE HG13 H 1 1.21 0.01 . 2 . . . . 17 ILE HG13 . 17011 1 162 . 1 1 17 17 ILE HG21 H 1 0.93 0.01 . 1 . . . . 17 ILE MG . 17011 1 163 . 1 1 17 17 ILE HG22 H 1 0.93 0.01 . 1 . . . . 17 ILE MG . 17011 1 164 . 1 1 17 17 ILE HG23 H 1 0.93 0.01 . 1 . . . . 17 ILE MG . 17011 1 165 . 1 1 17 17 ILE CA C 13 65.53 0.01 . 1 . . . . 17 ILE CA . 17011 1 166 . 1 1 17 17 ILE CB C 13 38.82 0.01 . 1 . . . . 17 ILE CB . 17011 1 167 . 1 1 17 17 ILE CD1 C 13 13.17 0.01 . 1 . . . . 17 ILE CD1 . 17011 1 168 . 1 1 17 17 ILE CG1 C 13 29.38 0.01 . 1 . . . . 17 ILE CG1 . 17011 1 169 . 1 1 17 17 ILE CG2 C 13 17.51 0.01 . 1 . . . . 17 ILE CG2 . 17011 1 170 . 1 1 18 18 VAL H H 1 7.93 0.01 . 1 . . . . 18 VAL H . 17011 1 171 . 1 1 18 18 VAL HA H 1 3.74 0.01 . 1 . . . . 18 VAL HA . 17011 1 172 . 1 1 18 18 VAL HB H 1 2.13 0.01 . 1 . . . . 18 VAL HB . 17011 1 173 . 1 1 18 18 VAL HG11 H 1 0.95 0.01 . 2 . . . . 18 VAL MG1 . 17011 1 174 . 1 1 18 18 VAL HG12 H 1 0.95 0.01 . 2 . . . . 18 VAL MG1 . 17011 1 175 . 1 1 18 18 VAL HG13 H 1 0.95 0.01 . 2 . . . . 18 VAL MG1 . 17011 1 176 . 1 1 18 18 VAL HG21 H 1 0.91 0.01 . 2 . . . . 18 VAL MG2 . 17011 1 177 . 1 1 18 18 VAL HG22 H 1 0.91 0.01 . 2 . . . . 18 VAL MG2 . 17011 1 178 . 1 1 18 18 VAL HG23 H 1 0.91 0.01 . 2 . . . . 18 VAL MG2 . 17011 1 179 . 1 1 18 18 VAL CA C 13 66.84 0.01 . 1 . . . . 18 VAL CA . 17011 1 180 . 1 1 18 18 VAL CB C 13 32.36 0.01 . 1 . . . . 18 VAL CB . 17011 1 181 . 1 1 18 18 VAL CG1 C 13 21.61 0.01 . 2 . . . . 18 VAL CG1 . 17011 1 182 . 1 1 18 18 VAL CG2 C 13 22.52 0.01 . 2 . . . . 18 VAL CG2 . 17011 1 183 . 1 1 19 19 ASP H H 1 8.24 0.01 . 1 . . . . 19 ASP H . 17011 1 184 . 1 1 19 19 ASP HA H 1 4.58 0.01 . 1 . . . . 19 ASP HA . 17011 1 185 . 1 1 19 19 ASP HB2 H 1 3.24 0.01 . 2 . . . . 19 ASP HB2 . 17011 1 186 . 1 1 19 19 ASP HB3 H 1 2.93 0.01 . 2 . . . . 19 ASP HB3 . 17011 1 187 . 1 1 19 19 ASP CA C 13 56.59 0.01 . 1 . . . . 19 ASP CA . 17011 1 188 . 1 1 19 19 ASP CB C 13 38.09 0.01 . 1 . . . . 19 ASP CB . 17011 1 189 . 1 1 20 20 VAL H H 1 8.19 0.01 . 1 . . . . 20 VAL H . 17011 1 190 . 1 1 20 20 VAL HA H 1 3.84 0.01 . 1 . . . . 20 VAL HA . 17011 1 191 . 1 1 20 20 VAL HB H 1 2.30 0.01 . 1 . . . . 20 VAL HB . 17011 1 192 . 1 1 20 20 VAL HG11 H 1 1.15 0.01 . 2 . . . . 20 VAL MG1 . 17011 1 193 . 1 1 20 20 VAL HG12 H 1 1.15 0.01 . 2 . . . . 20 VAL MG1 . 17011 1 194 . 1 1 20 20 VAL HG13 H 1 1.15 0.01 . 2 . . . . 20 VAL MG1 . 17011 1 195 . 1 1 20 20 VAL HG21 H 1 1.01 0.01 . 2 . . . . 20 VAL MG2 . 17011 1 196 . 1 1 20 20 VAL HG22 H 1 1.01 0.01 . 2 . . . . 20 VAL MG2 . 17011 1 197 . 1 1 20 20 VAL HG23 H 1 1.01 0.01 . 2 . . . . 20 VAL MG2 . 17011 1 198 . 1 1 20 20 VAL CA C 13 67.25 0.01 . 1 . . . . 20 VAL CA . 17011 1 199 . 1 1 20 20 VAL CB C 13 32.53 0.01 . 1 . . . . 20 VAL CB . 17011 1 200 . 1 1 20 20 VAL CG1 C 13 22.84 0.01 . 2 . . . . 20 VAL CG1 . 17011 1 201 . 1 1 20 20 VAL CG2 C 13 21.64 0.01 . 2 . . . . 20 VAL CG2 . 17011 1 202 . 1 1 21 21 GLN H H 1 8.23 0.01 . 1 . . . . 21 GLN H . 17011 1 203 . 1 1 21 21 GLN HA H 1 4.06 0.01 . 1 . . . . 21 GLN HA . 17011 1 204 . 1 1 21 21 GLN HB2 H 1 2.29 0.01 . 2 . . . . 21 GLN HB2 . 17011 1 205 . 1 1 21 21 GLN HB3 H 1 2.12 0.01 . 2 . . . . 21 GLN HB3 . 17011 1 206 . 1 1 21 21 GLN HE21 H 1 6.87 0.01 . 2 . . . . 21 GLN HE21 . 17011 1 207 . 1 1 21 21 GLN HE22 H 1 6.41 0.01 . 2 . . . . 21 GLN HE22 . 17011 1 208 . 1 1 21 21 GLN HG2 H 1 2.54 0.01 . 2 . . . . 21 GLN HG2 . 17011 1 209 . 1 1 21 21 GLN HG3 H 1 2.34 0.01 . 2 . . . . 21 GLN HG3 . 17011 1 210 . 1 1 21 21 GLN CA C 13 59.78 0.01 . 1 . . . . 21 GLN CA . 17011 1 211 . 1 1 21 21 GLN CB C 13 28.98 0.01 . 1 . . . . 21 GLN CB . 17011 1 212 . 1 1 21 21 GLN CG C 13 34.81 0.01 . 1 . . . . 21 GLN CG . 17011 1 213 . 1 1 22 22 TYR H H 1 8.40 0.01 . 1 . . . . 22 TYR H . 17011 1 214 . 1 1 22 22 TYR HA H 1 4.39 0.01 . 1 . . . . 22 TYR HA . 17011 1 215 . 1 1 22 22 TYR HB2 H 1 3.21 0.01 . 1 . . . . 22 TYR HB2 . 17011 1 216 . 1 1 22 22 TYR HB3 H 1 3.21 0.01 . 1 . . . . 22 TYR HB3 . 17011 1 217 . 1 1 22 22 TYR HD1 H 1 7.16 0.01 . 3 . . . . 22 TYR HD1 . 17011 1 218 . 1 1 22 22 TYR HD2 H 1 7.16 0.01 . 3 . . . . 22 TYR HD2 . 17011 1 219 . 1 1 22 22 TYR HE1 H 1 6.82 0.01 . 3 . . . . 22 TYR HE1 . 17011 1 220 . 1 1 22 22 TYR HE2 H 1 6.82 0.01 . 3 . . . . 22 TYR HE2 . 17011 1 221 . 1 1 22 22 TYR CA C 13 61.29 0.01 . 1 . . . . 22 TYR CA . 17011 1 222 . 1 1 22 22 TYR CB C 13 39.04 0.01 . 1 . . . . 22 TYR CB . 17011 1 223 . 1 1 22 22 TYR CD1 C 13 133.68 0.01 . 3 . . . . 22 TYR CD1 . 17011 1 224 . 1 1 22 22 TYR CD2 C 13 133.68 0.01 . 3 . . . . 22 TYR CD2 . 17011 1 225 . 1 1 22 22 TYR CE1 C 13 118.86 0.01 . 3 . . . . 22 TYR CE1 . 17011 1 226 . 1 1 22 22 TYR CE2 C 13 118.86 0.01 . 3 . . . . 22 TYR CE2 . 17011 1 227 . 1 1 23 23 MET H H 1 8.27 0.01 . 1 . . . . 23 MET H . 17011 1 228 . 1 1 23 23 MET HA H 1 4.19 0.01 . 1 . . . . 23 MET HA . 17011 1 229 . 1 1 23 23 MET HB2 H 1 2.19 0.01 . 2 . . . . 23 MET HB2 . 17011 1 230 . 1 1 23 23 MET HB3 H 1 2.00 0.01 . 2 . . . . 23 MET HB3 . 17011 1 231 . 1 1 23 23 MET HE1 H 1 2.06 0.01 . 1 . . . . 23 MET ME . 17011 1 232 . 1 1 23 23 MET HE2 H 1 2.06 0.01 . 1 . . . . 23 MET ME . 17011 1 233 . 1 1 23 23 MET HE3 H 1 2.06 0.01 . 1 . . . . 23 MET ME . 17011 1 234 . 1 1 23 23 MET HG2 H 1 2.64 0.01 . 2 . . . . 23 MET HG2 . 17011 1 235 . 1 1 23 23 MET HG3 H 1 2.55 0.01 . 2 . . . . 23 MET HG3 . 17011 1 236 . 1 1 23 23 MET CA C 13 59.03 0.01 . 1 . . . . 23 MET CA . 17011 1 237 . 1 1 23 23 MET CB C 13 33.06 0.01 . 1 . . . . 23 MET CB . 17011 1 238 . 1 1 23 23 MET CE C 13 16.85 0.01 . 1 . . . . 23 MET CE . 17011 1 239 . 1 1 23 23 MET CG C 13 32.88 0.01 . 1 . . . . 23 MET CG . 17011 1 240 . 1 1 24 24 TYR H H 1 8.42 0.01 . 1 . . . . 24 TYR H . 17011 1 241 . 1 1 24 24 TYR HA H 1 4.46 0.01 . 1 . . . . 24 TYR HA . 17011 1 242 . 1 1 24 24 TYR HB2 H 1 3.20 0.01 . 2 . . . . 24 TYR HB2 . 17011 1 243 . 1 1 24 24 TYR HB3 H 1 3.08 0.01 . 2 . . . . 24 TYR HB3 . 17011 1 244 . 1 1 24 24 TYR HD1 H 1 7.20 0.01 . 3 . . . . 24 TYR HD1 . 17011 1 245 . 1 1 24 24 TYR HD2 H 1 7.20 0.01 . 3 . . . . 24 TYR HD2 . 17011 1 246 . 1 1 24 24 TYR HE1 H 1 6.85 0.01 . 3 . . . . 24 TYR HE1 . 17011 1 247 . 1 1 24 24 TYR HE2 H 1 6.85 0.01 . 3 . . . . 24 TYR HE2 . 17011 1 248 . 1 1 24 24 TYR CA C 13 60.45 0.01 . 1 . . . . 24 TYR CA . 17011 1 249 . 1 1 24 24 TYR CB C 13 39.04 0.01 . 1 . . . . 24 TYR CB . 17011 1 250 . 1 1 24 24 TYR CD1 C 13 133.70 0.01 . 3 . . . . 24 TYR CD1 . 17011 1 251 . 1 1 24 24 TYR CD2 C 13 133.70 0.01 . 3 . . . . 24 TYR CD2 . 17011 1 252 . 1 1 24 24 TYR CE1 C 13 118.90 0.01 . 3 . . . . 24 TYR CE1 . 17011 1 253 . 1 1 24 24 TYR CE2 C 13 118.90 0.01 . 3 . . . . 24 TYR CE2 . 17011 1 254 . 1 1 25 25 GLY H H 1 8.00 0.01 . 1 . . . . 25 GLY H . 17011 1 255 . 1 1 25 25 GLY HA2 H 1 3.98 0.01 . 1 . . . . 25 GLY HA2 . 17011 1 256 . 1 1 25 25 GLY HA3 H 1 3.98 0.01 . 1 . . . . 25 GLY HA3 . 17011 1 257 . 1 1 25 25 GLY CA C 13 46.63 0.01 . 1 . . . . 25 GLY CA . 17011 1 258 . 1 1 26 26 LEU H H 1 7.80 0.01 . 1 . . . . 26 LEU H . 17011 1 259 . 1 1 26 26 LEU HA H 1 4.44 0.01 . 1 . . . . 26 LEU HA . 17011 1 260 . 1 1 26 26 LEU HB2 H 1 1.75 0.01 . 2 . . . . 26 LEU HB2 . 17011 1 261 . 1 1 26 26 LEU HB3 H 1 1.65 0.01 . 2 . . . . 26 LEU HB3 . 17011 1 262 . 1 1 26 26 LEU HD11 H 1 0.92 0.01 . 2 . . . . 26 LEU MD1 . 17011 1 263 . 1 1 26 26 LEU HD12 H 1 0.92 0.01 . 2 . . . . 26 LEU MD1 . 17011 1 264 . 1 1 26 26 LEU HD13 H 1 0.92 0.01 . 2 . . . . 26 LEU MD1 . 17011 1 265 . 1 1 26 26 LEU HD21 H 1 0.88 0.01 . 2 . . . . 26 LEU MD2 . 17011 1 266 . 1 1 26 26 LEU HD22 H 1 0.88 0.01 . 2 . . . . 26 LEU MD2 . 17011 1 267 . 1 1 26 26 LEU HD23 H 1 0.88 0.01 . 2 . . . . 26 LEU MD2 . 17011 1 268 . 1 1 26 26 LEU CA C 13 56.09 0.01 . 1 . . . . 26 LEU CA . 17011 1 269 . 1 1 26 26 LEU CB C 13 43.46 0.01 . 1 . . . . 26 LEU CB . 17011 1 270 . 1 1 26 26 LEU CD1 C 13 25.13 0.01 . 2 . . . . 26 LEU CD1 . 17011 1 271 . 1 1 26 26 LEU CD2 C 13 23.58 0.01 . 2 . . . . 26 LEU CD2 . 17011 1 272 . 1 1 27 27 SER H H 1 7.89 0.01 . 1 . . . . 27 SER H . 17011 1 273 . 1 1 27 27 SER HA H 1 4.57 0.01 . 1 . . . . 27 SER HA . 17011 1 274 . 1 1 27 27 SER CA C 13 60.17 0.01 . 1 . . . . 27 SER CA . 17011 1 275 . 1 1 28 28 PRO HA H 1 4.44 0.01 . 1 . . . . 28 PRO HA . 17011 1 276 . 1 1 28 28 PRO HB2 H 1 2.38 0.01 . 2 . . . . 28 PRO HB2 . 17011 1 277 . 1 1 28 28 PRO HB3 H 1 1.92 0.01 . 2 . . . . 28 PRO HB3 . 17011 1 278 . 1 1 28 28 PRO HD2 H 1 3.90 0.01 . 2 . . . . 28 PRO HD2 . 17011 1 279 . 1 1 28 28 PRO HD3 H 1 3.71 0.01 . 2 . . . . 28 PRO HD3 . 17011 1 280 . 1 1 28 28 PRO HG2 H 1 2.11 0.01 . 2 . . . . 28 PRO HG2 . 17011 1 281 . 1 1 28 28 PRO HG3 H 1 2.00 0.01 . 2 . . . . 28 PRO HG3 . 17011 1 282 . 1 1 28 28 PRO CA C 13 65.87 0.01 . 1 . . . . 28 PRO CA . 17011 1 283 . 1 1 28 28 PRO CB C 13 32.22 0.01 . 1 . . . . 28 PRO CB . 17011 1 284 . 1 1 28 28 PRO CD C 13 51.58 0.01 . 1 . . . . 28 PRO CD . 17011 1 285 . 1 1 28 28 PRO CG C 13 28.36 0.01 . 1 . . . . 28 PRO CG . 17011 1 286 . 1 1 29 29 ALA H H 1 7.75 0.01 . 1 . . . . 29 ALA H . 17011 1 287 . 1 1 29 29 ALA HA H 1 4.21 0.01 . 1 . . . . 29 ALA HA . 17011 1 288 . 1 1 29 29 ALA HB1 H 1 1.49 0.01 . 1 . . . . 29 ALA MB . 17011 1 289 . 1 1 29 29 ALA HB2 H 1 1.49 0.01 . 1 . . . . 29 ALA MB . 17011 1 290 . 1 1 29 29 ALA HB3 H 1 1.49 0.01 . 1 . . . . 29 ALA MB . 17011 1 291 . 1 1 29 29 ALA CA C 13 55.26 0.01 . 1 . . . . 29 ALA CA . 17011 1 292 . 1 1 29 29 ALA CB C 13 18.91 0.01 . 1 . . . . 29 ALA CB . 17011 1 293 . 1 1 30 30 ILE H H 1 7.84 0.01 . 1 . . . . 30 ILE H . 17011 1 294 . 1 1 30 30 ILE HA H 1 4.10 0.01 . 1 . . . . 30 ILE HA . 17011 1 295 . 1 1 30 30 ILE HB H 1 2.03 0.01 . 1 . . . . 30 ILE HB . 17011 1 296 . 1 1 30 30 ILE HD11 H 1 0.93 0.01 . 1 . . . . 30 ILE MD . 17011 1 297 . 1 1 30 30 ILE HD12 H 1 0.93 0.01 . 1 . . . . 30 ILE MD . 17011 1 298 . 1 1 30 30 ILE HD13 H 1 0.93 0.01 . 1 . . . . 30 ILE MD . 17011 1 299 . 1 1 30 30 ILE HG12 H 1 1.64 0.01 . 2 . . . . 30 ILE HG12 . 17011 1 300 . 1 1 30 30 ILE HG13 H 1 1.33 0.01 . 2 . . . . 30 ILE HG13 . 17011 1 301 . 1 1 30 30 ILE HG21 H 1 1.02 0.01 . 1 . . . . 30 ILE MG . 17011 1 302 . 1 1 30 30 ILE HG22 H 1 1.02 0.01 . 1 . . . . 30 ILE MG . 17011 1 303 . 1 1 30 30 ILE HG23 H 1 1.02 0.01 . 1 . . . . 30 ILE MG . 17011 1 304 . 1 1 30 30 ILE CA C 13 64.08 0.01 . 1 . . . . 30 ILE CA . 17011 1 305 . 1 1 30 30 ILE CB C 13 39.27 0.01 . 1 . . . . 30 ILE CB . 17011 1 306 . 1 1 30 30 ILE CD1 C 13 13.12 0.01 . 1 . . . . 30 ILE CD1 . 17011 1 307 . 1 1 30 30 ILE CG1 C 13 28.97 0.01 . 1 . . . . 30 ILE CG1 . 17011 1 308 . 1 1 30 30 ILE CG2 C 13 17.91 0.01 . 1 . . . . 30 ILE CG2 . 17011 1 309 . 1 1 31 31 THR H H 1 7.98 0.01 . 1 . . . . 31 THR H . 17011 1 310 . 1 1 31 31 THR HA H 1 3.99 0.01 . 1 . . . . 31 THR HA . 17011 1 311 . 1 1 31 31 THR HB H 1 4.27 0.01 . 1 . . . . 31 THR HB . 17011 1 312 . 1 1 31 31 THR HG21 H 1 1.28 0.01 . 1 . . . . 31 THR MG . 17011 1 313 . 1 1 31 31 THR HG22 H 1 1.28 0.01 . 1 . . . . 31 THR MG . 17011 1 314 . 1 1 31 31 THR HG23 H 1 1.28 0.01 . 1 . . . . 31 THR MG . 17011 1 315 . 1 1 31 31 THR CA C 13 66.33 0.01 . 1 . . . . 31 THR CA . 17011 1 316 . 1 1 31 31 THR CB C 13 69.81 0.01 . 1 . . . . 31 THR CB . 17011 1 317 . 1 1 31 31 THR CG2 C 13 22.10 0.01 . 1 . . . . 31 THR CG2 . 17011 1 318 . 1 1 32 32 LYS H H 1 7.71 0.01 . 1 . . . . 32 LYS H . 17011 1 319 . 1 1 32 32 LYS HA H 1 4.08 0.01 . 1 . . . . 32 LYS HA . 17011 1 320 . 1 1 32 32 LYS HB2 H 1 1.79 0.01 . 2 . . . . 32 LYS HB2 . 17011 1 321 . 1 1 32 32 LYS HB3 H 1 1.72 0.01 . 2 . . . . 32 LYS HB3 . 17011 1 322 . 1 1 32 32 LYS HD2 H 1 1.61 0.01 . 1 . . . . 32 LYS HD2 . 17011 1 323 . 1 1 32 32 LYS HD3 H 1 1.61 0.01 . 1 . . . . 32 LYS HD3 . 17011 1 324 . 1 1 32 32 LYS HE2 H 1 2.91 0.01 . 1 . . . . 32 LYS HE2 . 17011 1 325 . 1 1 32 32 LYS HE3 H 1 2.91 0.01 . 1 . . . . 32 LYS HE3 . 17011 1 326 . 1 1 32 32 LYS HG2 H 1 1.25 0.01 . 1 . . . . 32 LYS HG2 . 17011 1 327 . 1 1 32 32 LYS HG3 H 1 1.25 0.01 . 1 . . . . 32 LYS HG3 . 17011 1 328 . 1 1 32 32 LYS HZ1 H 1 7.56 0.01 . 1 . . . . 32 LYS QZ . 17011 1 329 . 1 1 32 32 LYS HZ2 H 1 7.56 0.01 . 1 . . . . 32 LYS QZ . 17011 1 330 . 1 1 32 32 LYS HZ3 H 1 7.56 0.01 . 1 . . . . 32 LYS QZ . 17011 1 331 . 1 1 32 32 LYS CA C 13 59.24 0.01 . 1 . . . . 32 LYS CA . 17011 1 332 . 1 1 32 32 LYS CB C 13 32.97 0.01 . 1 . . . . 32 LYS CB . 17011 1 333 . 1 1 32 32 LYS CD C 13 29.81 0.01 . 1 . . . . 32 LYS CD . 17011 1 334 . 1 1 32 32 LYS CE C 13 42.75 0.01 . 1 . . . . 32 LYS CE . 17011 1 335 . 1 1 32 32 LYS CG C 13 25.42 0.01 . 1 . . . . 32 LYS CG . 17011 1 336 . 1 1 33 33 TYR H H 1 7.79 0.01 . 1 . . . . 33 TYR H . 17011 1 337 . 1 1 33 33 TYR HA H 1 4.47 0.01 . 1 . . . . 33 TYR HA . 17011 1 338 . 1 1 33 33 TYR HB2 H 1 3.25 0.01 . 2 . . . . 33 TYR HB2 . 17011 1 339 . 1 1 33 33 TYR HB3 H 1 3.06 0.01 . 2 . . . . 33 TYR HB3 . 17011 1 340 . 1 1 33 33 TYR HD1 H 1 7.19 0.01 . 3 . . . . 33 TYR HD1 . 17011 1 341 . 1 1 33 33 TYR HD2 H 1 7.19 0.01 . 3 . . . . 33 TYR HD2 . 17011 1 342 . 1 1 33 33 TYR HE1 H 1 6.84 0.01 . 3 . . . . 33 TYR HE1 . 17011 1 343 . 1 1 33 33 TYR HE2 H 1 6.84 0.01 . 3 . . . . 33 TYR HE2 . 17011 1 344 . 1 1 33 33 TYR CA C 13 60.43 0.01 . 1 . . . . 33 TYR CA . 17011 1 345 . 1 1 33 33 TYR CB C 13 39.46 0.01 . 1 . . . . 33 TYR CB . 17011 1 346 . 1 1 33 33 TYR CD1 C 13 133.68 0.01 . 3 . . . . 33 TYR CD1 . 17011 1 347 . 1 1 33 33 TYR CD2 C 13 133.68 0.01 . 3 . . . . 33 TYR CD2 . 17011 1 348 . 1 1 33 33 TYR CE1 C 13 118.90 0.01 . 3 . . . . 33 TYR CE1 . 17011 1 349 . 1 1 33 33 TYR CE2 C 13 118.90 0.01 . 3 . . . . 33 TYR CE2 . 17011 1 350 . 1 1 34 34 VAL H H 1 7.95 0.01 . 1 . . . . 34 VAL H . 17011 1 351 . 1 1 34 34 VAL HA H 1 3.99 0.01 . 1 . . . . 34 VAL HA . 17011 1 352 . 1 1 34 34 VAL HB H 1 2.25 0.01 . 1 . . . . 34 VAL HB . 17011 1 353 . 1 1 34 34 VAL HG11 H 1 1.08 0.01 . 2 . . . . 34 VAL MG1 . 17011 1 354 . 1 1 34 34 VAL HG12 H 1 1.08 0.01 . 2 . . . . 34 VAL MG1 . 17011 1 355 . 1 1 34 34 VAL HG13 H 1 1.08 0.01 . 2 . . . . 34 VAL MG1 . 17011 1 356 . 1 1 34 34 VAL HG21 H 1 0.99 0.01 . 2 . . . . 34 VAL MG2 . 17011 1 357 . 1 1 34 34 VAL HG22 H 1 0.99 0.01 . 2 . . . . 34 VAL MG2 . 17011 1 358 . 1 1 34 34 VAL HG23 H 1 0.99 0.01 . 2 . . . . 34 VAL MG2 . 17011 1 359 . 1 1 34 34 VAL CA C 13 65.18 0.01 . 1 . . . . 34 VAL CA . 17011 1 360 . 1 1 34 34 VAL CB C 13 33.36 0.01 . 1 . . . . 34 VAL CB . 17011 1 361 . 1 1 34 34 VAL CG1 C 13 21.72 0.01 . 2 . . . . 34 VAL CG1 . 17011 1 362 . 1 1 34 34 VAL CG2 C 13 21.45 0.01 . 2 . . . . 34 VAL CG2 . 17011 1 363 . 1 1 35 35 VAL H H 1 7.97 0.01 . 1 . . . . 35 VAL H . 17011 1 364 . 1 1 35 35 VAL HA H 1 4.02 0.01 . 1 . . . . 35 VAL HA . 17011 1 365 . 1 1 35 35 VAL HB H 1 2.22 0.01 . 1 . . . . 35 VAL HB . 17011 1 366 . 1 1 35 35 VAL HG11 H 1 1.03 0.01 . 2 . . . . 35 VAL MG1 . 17011 1 367 . 1 1 35 35 VAL HG12 H 1 1.03 0.01 . 2 . . . . 35 VAL MG1 . 17011 1 368 . 1 1 35 35 VAL HG13 H 1 1.03 0.01 . 2 . . . . 35 VAL MG1 . 17011 1 369 . 1 1 35 35 VAL HG21 H 1 0.99 0.01 . 2 . . . . 35 VAL MG2 . 17011 1 370 . 1 1 35 35 VAL HG22 H 1 0.99 0.01 . 2 . . . . 35 VAL MG2 . 17011 1 371 . 1 1 35 35 VAL HG23 H 1 0.99 0.01 . 2 . . . . 35 VAL MG2 . 17011 1 372 . 1 1 35 35 VAL CA C 13 64.39 0.01 . 1 . . . . 35 VAL CA . 17011 1 373 . 1 1 35 35 VAL CB C 13 32.77 0.01 . 1 . . . . 35 VAL CB . 17011 1 374 . 1 1 35 35 VAL CG1 C 13 21.34 0.01 . 2 . . . . 35 VAL CG1 . 17011 1 375 . 1 1 35 35 VAL CG2 C 13 21.45 0.01 . 2 . . . . 35 VAL CG2 . 17011 1 376 . 1 1 36 36 ARG H H 1 7.80 0.01 . 1 . . . . 36 ARG H . 17011 1 377 . 1 1 36 36 ARG HA H 1 4.32 0.01 . 1 . . . . 36 ARG HA . 17011 1 378 . 1 1 36 36 ARG HB2 H 1 1.94 0.01 . 2 . . . . 36 ARG HB2 . 17011 1 379 . 1 1 36 36 ARG HB3 H 1 1.88 0.01 . 2 . . . . 36 ARG HB3 . 17011 1 380 . 1 1 36 36 ARG HD2 H 1 3.21 0.01 . 1 . . . . 36 ARG HD2 . 17011 1 381 . 1 1 36 36 ARG HD3 H 1 3.21 0.01 . 1 . . . . 36 ARG HD3 . 17011 1 382 . 1 1 36 36 ARG HE H 1 7.18 0.01 . 1 . . . . 36 ARG HE . 17011 1 383 . 1 1 36 36 ARG HG2 H 1 1.69 0.01 . 1 . . . . 36 ARG HG2 . 17011 1 384 . 1 1 36 36 ARG HG3 H 1 1.69 0.01 . 1 . . . . 36 ARG HG3 . 17011 1 385 . 1 1 36 36 ARG CA C 13 56.64 0.01 . 1 . . . . 36 ARG CA . 17011 1 386 . 1 1 36 36 ARG CB C 13 31.25 0.01 . 1 . . . . 36 ARG CB . 17011 1 387 . 1 1 36 36 ARG CD C 13 43.88 0.01 . 1 . . . . 36 ARG CD . 17011 1 388 . 1 1 36 36 ARG CG C 13 27.89 0.01 . 1 . . . . 36 ARG CG . 17011 1 stop_ save_