data_19185 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19185 _Entry.Title ; Structure of the Type IVa Major Pilin from the Electrically Conductive Bacterial Nanowires of Geobacter sulfurreducens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-22 _Entry.Accession_date 2013-04-22 _Entry.Last_release_date 2013-10-17 _Entry.Original_release_date 2013-10-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype NMR _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 Patrick Reardon . N. . 19185 2 Karl Mueller . T. . 19185 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' . 19185 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bacterial nanowire' . 19185 PilA . 19185 pilin . 19185 'type IVa' . 19185 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19185 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 221 19185 '15N chemical shifts' 58 19185 '1H chemical shifts' 396 19185 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 . . 2013-10-17 2013-04-22 original author . 19185 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M7G 'BMRB Entry Tracking System' 19185 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19185 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure of the Type IVa Major Pilin from the Electrically Conductive Bacterial Nanowires of Geobacter sulfurreducens' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Patrick Reardon . N. . 19185 1 2 Karl Mueller . T. . 19185 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19185 _Assembly.ID 1 _Assembly.Name PilA _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 PilA 1 $PilA A . yes native no no . . . 19185 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PilA _Entity.Sf_category entity _Entity.Sf_framecode PilA _Entity.Entry_ID 19185 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PilA _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 ; FTLIELLIVVAIIGILAAIA IPQFSAYRVKAYNSAASSDL RNLKTALESAFADDQTYPPE S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not presnt' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6576.573 _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 2M7G . "Structure Of The Type Iva Major Pilin From The Electrically Conductive Bacterial Nanowires Of Geobacter Sulfurreducens" . . . . . 100.00 61 100.00 100.00 3.61e-33 . . . . 19185 1 2 no GB AAR34870 . "geopilin domain 1 protein [Geobacter sulfurreducens PCA]" . . . . . 100.00 90 100.00 100.00 2.92e-33 . . . . 19185 1 3 no GB ADI84335 . "geopilin domain 1 protein [Geobacter sulfurreducens KN400]" . . . . . 100.00 90 100.00 100.00 2.92e-33 . . . . 19185 1 4 no REF NP_952547 . "hypothetical protein GSU1496 [Geobacter sulfurreducens PCA]" . . . . . 100.00 90 100.00 100.00 2.92e-33 . . . . 19185 1 5 no REF WP_010942142 . "pilus assembly protein [Geobacter sulfurreducens]" . . . . . 100.00 90 100.00 100.00 2.92e-33 . . . . 19185 1 6 no REF WP_049786599 . "pilus assembly protein [Geobacter sulfurreducens]" . . . . . 100.00 71 100.00 100.00 2.63e-33 . . . . 19185 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 1 PHE . 19185 1 2 2 THR . 19185 1 3 3 LEU . 19185 1 4 4 ILE . 19185 1 5 5 GLU . 19185 1 6 6 LEU . 19185 1 7 7 LEU . 19185 1 8 8 ILE . 19185 1 9 9 VAL . 19185 1 10 10 VAL . 19185 1 11 11 ALA . 19185 1 12 12 ILE . 19185 1 13 13 ILE . 19185 1 14 14 GLY . 19185 1 15 15 ILE . 19185 1 16 16 LEU . 19185 1 17 17 ALA . 19185 1 18 18 ALA . 19185 1 19 19 ILE . 19185 1 20 20 ALA . 19185 1 21 21 ILE . 19185 1 22 22 PRO . 19185 1 23 23 GLN . 19185 1 24 24 PHE . 19185 1 25 25 SER . 19185 1 26 26 ALA . 19185 1 27 27 TYR . 19185 1 28 28 ARG . 19185 1 29 29 VAL . 19185 1 30 30 LYS . 19185 1 31 31 ALA . 19185 1 32 32 TYR . 19185 1 33 33 ASN . 19185 1 34 34 SER . 19185 1 35 35 ALA . 19185 1 36 36 ALA . 19185 1 37 37 SER . 19185 1 38 38 SER . 19185 1 39 39 ASP . 19185 1 40 40 LEU . 19185 1 41 41 ARG . 19185 1 42 42 ASN . 19185 1 43 43 LEU . 19185 1 44 44 LYS . 19185 1 45 45 THR . 19185 1 46 46 ALA . 19185 1 47 47 LEU . 19185 1 48 48 GLU . 19185 1 49 49 SER . 19185 1 50 50 ALA . 19185 1 51 51 PHE . 19185 1 52 52 ALA . 19185 1 53 53 ASP . 19185 1 54 54 ASP . 19185 1 55 55 GLN . 19185 1 56 56 THR . 19185 1 57 57 TYR . 19185 1 58 58 PRO . 19185 1 59 59 PRO . 19185 1 60 60 GLU . 19185 1 61 61 SER . 19185 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 . PHE 1 1 19185 1 . THR 2 2 19185 1 . LEU 3 3 19185 1 . ILE 4 4 19185 1 . GLU 5 5 19185 1 . LEU 6 6 19185 1 . LEU 7 7 19185 1 . ILE 8 8 19185 1 . VAL 9 9 19185 1 . VAL 10 10 19185 1 . ALA 11 11 19185 1 . ILE 12 12 19185 1 . ILE 13 13 19185 1 . GLY 14 14 19185 1 . ILE 15 15 19185 1 . LEU 16 16 19185 1 . ALA 17 17 19185 1 . ALA 18 18 19185 1 . ILE 19 19 19185 1 . ALA 20 20 19185 1 . ILE 21 21 19185 1 . PRO 22 22 19185 1 . GLN 23 23 19185 1 . PHE 24 24 19185 1 . SER 25 25 19185 1 . ALA 26 26 19185 1 . TYR 27 27 19185 1 . ARG 28 28 19185 1 . VAL 29 29 19185 1 . LYS 30 30 19185 1 . ALA 31 31 19185 1 . TYR 32 32 19185 1 . ASN 33 33 19185 1 . SER 34 34 19185 1 . ALA 35 35 19185 1 . ALA 36 36 19185 1 . SER 37 37 19185 1 . SER 38 38 19185 1 . ASP 39 39 19185 1 . LEU 40 40 19185 1 . ARG 41 41 19185 1 . ASN 42 42 19185 1 . LEU 43 43 19185 1 . LYS 44 44 19185 1 . THR 45 45 19185 1 . ALA 46 46 19185 1 . LEU 47 47 19185 1 . GLU 48 48 19185 1 . SER 49 49 19185 1 . ALA 50 50 19185 1 . PHE 51 51 19185 1 . ALA 52 52 19185 1 . ASP 53 53 19185 1 . ASP 54 54 19185 1 . GLN 55 55 19185 1 . THR 56 56 19185 1 . TYR 57 57 19185 1 . PRO 58 58 19185 1 . PRO 59 59 19185 1 . GLU 60 60 19185 1 . SER 61 61 19185 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 19185 _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 $PilA . 35554 organism . 'Geobacter sulfurreducens' d-proteobacteria . . Bacteria . Geobacter sulfurreducens KN400 . . . . . . . . . . . . . . . pila . . . . 19185 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 19185 _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 $PilA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C41(DE3) . . . . . . . . . . . . . . . pTCLE . . . . . . 19185 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19185 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PilA '[U-13C; U-15N]' . . 1 $PilA . . 1 . . mM . . . . 19185 1 2 DHPC [U-2H] . . . . . . 200 . . mM . . . . 19185 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19185 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19185 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 19185 _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 5 . pH 19185 1 pressure 1 . atm 19185 1 temperature 273 . K 19185 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19185 _Software.ID 1 _Software.Name VNMRJ _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19185 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19185 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19185 _Software.ID 2 _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' . . 19185 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19185 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19185 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19185 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19185 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19185 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19185 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19185 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19185 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19185 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19185 5 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 19185 _Software.ID 6 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19185 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19185 6 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 19185 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRs _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19185 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRs _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 19185 _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 Varian VNMRs . 800 . . . 19185 1 2 spectrometer_2 Varian VNMRs . 750 . . . 19185 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 19185 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19185 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19185 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19185 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19185 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19185 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19185 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19185 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19185 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 19185 _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 . . . . . . . . . 19185 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19185 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19185 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 19185 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 19185 1 2 '3D HNCO' . . . 19185 1 3 '3D HNCA' . . . 19185 1 4 '3D CBCA(CO)NH' . . . 19185 1 5 '3D HNHA' . . . 19185 1 6 '3D HCCH-TOCSY' . . . 19185 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 2 2 THR H H 1 8.189 0.05 . 1 . . . A 2 THR H . 19185 1 2 . 1 1 2 2 THR HA H 1 4.713 0.05 . 1 . . . A 2 THR HA . 19185 1 3 . 1 1 2 2 THR HG21 H 1 1.279 0.05 . 1 . . . A 2 THR HG21 . 19185 1 4 . 1 1 2 2 THR HG22 H 1 1.279 0.05 . 1 . . . A 2 THR HG22 . 19185 1 5 . 1 1 2 2 THR HG23 H 1 1.279 0.05 . 1 . . . A 2 THR HG23 . 19185 1 6 . 1 1 2 2 THR C C 13 174.853 0.3 . 1 . . . A 2 THR C . 19185 1 7 . 1 1 2 2 THR CA C 13 59.734 0.3 . 1 . . . A 2 THR CA . 19185 1 8 . 1 1 2 2 THR CB C 13 71.378 0.3 . 1 . . . A 2 THR CB . 19185 1 9 . 1 1 2 2 THR N N 15 112.540 0.5 . 1 . . . A 2 THR N . 19185 1 10 . 1 1 3 3 LEU H H 1 8.997 0.05 . 1 . . . A 3 LEU H . 19185 1 11 . 1 1 3 3 LEU HA H 1 4.101 0.05 . 1 . . . A 3 LEU HA . 19185 1 12 . 1 1 3 3 LEU HB2 H 1 1.765 0.05 . 2 . . . A 3 LEU HB2 . 19185 1 13 . 1 1 3 3 LEU HB3 H 1 1.765 0.05 . 2 . . . A 3 LEU HB3 . 19185 1 14 . 1 1 3 3 LEU HD11 H 1 0.940 0.05 . 2 . . . A 3 LEU HD11 . 19185 1 15 . 1 1 3 3 LEU HD12 H 1 0.940 0.05 . 2 . . . A 3 LEU HD12 . 19185 1 16 . 1 1 3 3 LEU HD13 H 1 0.940 0.05 . 2 . . . A 3 LEU HD13 . 19185 1 17 . 1 1 3 3 LEU HD21 H 1 0.940 0.05 . 2 . . . A 3 LEU HD21 . 19185 1 18 . 1 1 3 3 LEU HD22 H 1 0.940 0.05 . 2 . . . A 3 LEU HD22 . 19185 1 19 . 1 1 3 3 LEU HD23 H 1 0.940 0.05 . 2 . . . A 3 LEU HD23 . 19185 1 20 . 1 1 3 3 LEU C C 13 178.488 0.3 . 1 . . . A 3 LEU C . 19185 1 21 . 1 1 3 3 LEU CA C 13 58.153 0.3 . 1 . . . A 3 LEU CA . 19185 1 22 . 1 1 3 3 LEU CB C 13 41.443 0.3 . 1 . . . A 3 LEU CB . 19185 1 23 . 1 1 3 3 LEU N N 15 121.600 0.5 . 1 . . . A 3 LEU N . 19185 1 24 . 1 1 4 4 ILE H H 1 8.173 0.05 . 1 . . . A 4 ILE H . 19185 1 25 . 1 1 4 4 ILE HA H 1 3.798 0.05 . 1 . . . A 4 ILE HA . 19185 1 26 . 1 1 4 4 ILE HB H 1 1.891 0.05 . 1 . . . A 4 ILE HB . 19185 1 27 . 1 1 4 4 ILE HG12 H 1 1.289 0.05 . 2 . . . A 4 ILE HG12 . 19185 1 28 . 1 1 4 4 ILE HG13 H 1 1.579 0.05 . 2 . . . A 4 ILE HG13 . 19185 1 29 . 1 1 4 4 ILE HD11 H 1 0.914 0.05 . 1 . . . A 4 ILE HD11 . 19185 1 30 . 1 1 4 4 ILE HD12 H 1 0.914 0.05 . 1 . . . A 4 ILE HD12 . 19185 1 31 . 1 1 4 4 ILE HD13 H 1 0.914 0.05 . 1 . . . A 4 ILE HD13 . 19185 1 32 . 1 1 4 4 ILE C C 13 176.847 0.3 . 1 . . . A 4 ILE C . 19185 1 33 . 1 1 4 4 ILE CA C 13 63.784 0.3 . 1 . . . A 4 ILE CA . 19185 1 34 . 1 1 4 4 ILE CB C 13 37.077 0.3 . 1 . . . A 4 ILE CB . 19185 1 35 . 1 1 4 4 ILE CG1 C 13 29.270 0.3 . 1 . . . A 4 ILE CG1 . 19185 1 36 . 1 1 4 4 ILE CG2 C 13 17.865 0.3 . 1 . . . A 4 ILE CG2 . 19185 1 37 . 1 1 4 4 ILE CD1 C 13 12.610 0.3 . 1 . . . A 4 ILE CD1 . 19185 1 38 . 1 1 4 4 ILE N N 15 116.394 0.5 . 1 . . . A 4 ILE N . 19185 1 39 . 1 1 5 5 GLU H H 1 7.394 0.05 . 1 . . . A 5 GLU H . 19185 1 40 . 1 1 5 5 GLU HA H 1 3.773 0.05 . 1 . . . A 5 GLU HA . 19185 1 41 . 1 1 5 5 GLU HB2 H 1 1.868 0.05 . 2 . . . A 5 GLU HB2 . 19185 1 42 . 1 1 5 5 GLU HB3 H 1 2.206 0.05 . 2 . . . A 5 GLU HB3 . 19185 1 43 . 1 1 5 5 GLU HG2 H 1 2.281 0.05 . 2 . . . A 5 GLU HG2 . 19185 1 44 . 1 1 5 5 GLU HG3 H 1 2.420 0.05 . 2 . . . A 5 GLU HG3 . 19185 1 45 . 1 1 5 5 GLU C C 13 177.554 0.3 . 1 . . . A 5 GLU C . 19185 1 46 . 1 1 5 5 GLU CA C 13 59.598 0.3 . 1 . . . A 5 GLU CA . 19185 1 47 . 1 1 5 5 GLU CB C 13 28.852 0.3 . 1 . . . A 5 GLU CB . 19185 1 48 . 1 1 5 5 GLU CG C 13 34.806 0.3 . 1 . . . A 5 GLU CG . 19185 1 49 . 1 1 5 5 GLU N N 15 118.842 0.5 . 1 . . . A 5 GLU N . 19185 1 50 . 1 1 6 6 LEU H H 1 7.885 0.05 . 1 . . . A 6 LEU H . 19185 1 51 . 1 1 6 6 LEU HA H 1 3.916 0.05 . 1 . . . A 6 LEU HA . 19185 1 52 . 1 1 6 6 LEU HB2 H 1 1.642 0.05 . 2 . . . A 6 LEU HB2 . 19185 1 53 . 1 1 6 6 LEU HB3 H 1 1.673 0.05 . 2 . . . A 6 LEU HB3 . 19185 1 54 . 1 1 6 6 LEU HG H 1 2.018 0.05 . 1 . . . A 6 LEU HG . 19185 1 55 . 1 1 6 6 LEU HD11 H 1 0.845 0.05 . 2 . . . A 6 LEU HD11 . 19185 1 56 . 1 1 6 6 LEU HD12 H 1 0.845 0.05 . 2 . . . A 6 LEU HD12 . 19185 1 57 . 1 1 6 6 LEU HD13 H 1 0.845 0.05 . 2 . . . A 6 LEU HD13 . 19185 1 58 . 1 1 6 6 LEU HD21 H 1 0.845 0.05 . 2 . . . A 6 LEU HD21 . 19185 1 59 . 1 1 6 6 LEU HD22 H 1 0.845 0.05 . 2 . . . A 6 LEU HD22 . 19185 1 60 . 1 1 6 6 LEU HD23 H 1 0.845 0.05 . 2 . . . A 6 LEU HD23 . 19185 1 61 . 1 1 6 6 LEU C C 13 177.832 0.3 . 1 . . . A 6 LEU C . 19185 1 62 . 1 1 6 6 LEU CA C 13 58.013 0.3 . 1 . . . A 6 LEU CA . 19185 1 63 . 1 1 6 6 LEU CB C 13 41.610 0.3 . 1 . . . A 6 LEU CB . 19185 1 64 . 1 1 6 6 LEU N N 15 117.867 0.5 . 1 . . . A 6 LEU N . 19185 1 65 . 1 1 7 7 LEU H H 1 8.328 0.05 . 1 . . . A 7 LEU H . 19185 1 66 . 1 1 7 7 LEU HA H 1 3.890 0.05 . 1 . . . A 7 LEU HA . 19185 1 67 . 1 1 7 7 LEU HB3 H 1 1.895 0.05 . 2 . . . A 7 LEU HB3 . 19185 1 68 . 1 1 7 7 LEU HG H 1 1.530 0.05 . 1 . . . A 7 LEU HG . 19185 1 69 . 1 1 7 7 LEU HD11 H 1 0.832 0.05 . 2 . . . A 7 LEU HD11 . 19185 1 70 . 1 1 7 7 LEU HD12 H 1 0.832 0.05 . 2 . . . A 7 LEU HD12 . 19185 1 71 . 1 1 7 7 LEU HD13 H 1 0.832 0.05 . 2 . . . A 7 LEU HD13 . 19185 1 72 . 1 1 7 7 LEU HD21 H 1 0.832 0.05 . 2 . . . A 7 LEU HD21 . 19185 1 73 . 1 1 7 7 LEU HD22 H 1 0.832 0.05 . 2 . . . A 7 LEU HD22 . 19185 1 74 . 1 1 7 7 LEU HD23 H 1 0.832 0.05 . 2 . . . A 7 LEU HD23 . 19185 1 75 . 1 1 7 7 LEU C C 13 178.135 0.3 . 1 . . . A 7 LEU C . 19185 1 76 . 1 1 7 7 LEU CA C 13 57.912 0.3 . 1 . . . A 7 LEU CA . 19185 1 77 . 1 1 7 7 LEU CB C 13 41.467 0.3 . 1 . . . A 7 LEU CB . 19185 1 78 . 1 1 7 7 LEU N N 15 117.636 0.5 . 1 . . . A 7 LEU N . 19185 1 79 . 1 1 8 8 ILE H H 1 8.054 0.05 . 1 . . . A 8 ILE H . 19185 1 80 . 1 1 8 8 ILE HA H 1 3.569 0.05 . 1 . . . A 8 ILE HA . 19185 1 81 . 1 1 8 8 ILE HB H 1 2.039 0.05 . 1 . . . A 8 ILE HB . 19185 1 82 . 1 1 8 8 ILE HG12 H 1 1.016 0.05 . 2 . . . A 8 ILE HG12 . 19185 1 83 . 1 1 8 8 ILE HG13 H 1 1.881 0.05 . 2 . . . A 8 ILE HG13 . 19185 1 84 . 1 1 8 8 ILE HG21 H 1 0.869 0.05 . 1 . . . A 8 ILE HG21 . 19185 1 85 . 1 1 8 8 ILE HG22 H 1 0.869 0.05 . 1 . . . A 8 ILE HG22 . 19185 1 86 . 1 1 8 8 ILE HG23 H 1 0.869 0.05 . 1 . . . A 8 ILE HG23 . 19185 1 87 . 1 1 8 8 ILE HD11 H 1 0.792 0.05 . 1 . . . A 8 ILE HD11 . 19185 1 88 . 1 1 8 8 ILE HD12 H 1 0.792 0.05 . 1 . . . A 8 ILE HD12 . 19185 1 89 . 1 1 8 8 ILE HD13 H 1 0.792 0.05 . 1 . . . A 8 ILE HD13 . 19185 1 90 . 1 1 8 8 ILE C C 13 177.150 0.3 . 1 . . . A 8 ILE C . 19185 1 91 . 1 1 8 8 ILE CA C 13 65.202 0.3 . 1 . . . A 8 ILE CA . 19185 1 92 . 1 1 8 8 ILE CB C 13 37.215 0.3 . 1 . . . A 8 ILE CB . 19185 1 93 . 1 1 8 8 ILE CG1 C 13 29.381 0.3 . 1 . . . A 8 ILE CG1 . 19185 1 94 . 1 1 8 8 ILE CG2 C 13 17.201 0.3 . 1 . . . A 8 ILE CG2 . 19185 1 95 . 1 1 8 8 ILE CD1 C 13 13.211 0.3 . 1 . . . A 8 ILE CD1 . 19185 1 96 . 1 1 8 8 ILE N N 15 117.838 0.5 . 1 . . . A 8 ILE N . 19185 1 97 . 1 1 9 9 VAL H H 1 8.026 0.05 . 1 . . . A 9 VAL H . 19185 1 98 . 1 1 9 9 VAL HA H 1 3.482 0.05 . 1 . . . A 9 VAL HA . 19185 1 99 . 1 1 9 9 VAL HB H 1 2.289 0.05 . 1 . . . A 9 VAL HB . 19185 1 100 . 1 1 9 9 VAL HG11 H 1 1.041 0.05 . 2 . . . A 9 VAL HG11 . 19185 1 101 . 1 1 9 9 VAL HG12 H 1 1.041 0.05 . 2 . . . A 9 VAL HG12 . 19185 1 102 . 1 1 9 9 VAL HG13 H 1 1.041 0.05 . 2 . . . A 9 VAL HG13 . 19185 1 103 . 1 1 9 9 VAL HG21 H 1 0.859 0.05 . 2 . . . A 9 VAL HG21 . 19185 1 104 . 1 1 9 9 VAL HG22 H 1 0.859 0.05 . 2 . . . A 9 VAL HG22 . 19185 1 105 . 1 1 9 9 VAL HG23 H 1 0.859 0.05 . 2 . . . A 9 VAL HG23 . 19185 1 106 . 1 1 9 9 VAL C C 13 177.352 0.3 . 1 . . . A 9 VAL C . 19185 1 107 . 1 1 9 9 VAL CA C 13 67.632 0.3 . 1 . . . A 9 VAL CA . 19185 1 108 . 1 1 9 9 VAL CB C 13 31.282 0.3 . 1 . . . A 9 VAL CB . 19185 1 109 . 1 1 9 9 VAL CG1 C 13 23.546 0.3 . 1 . . . A 9 VAL CG1 . 19185 1 110 . 1 1 9 9 VAL CG2 C 13 21.333 0.3 . 1 . . . A 9 VAL CG2 . 19185 1 111 . 1 1 9 9 VAL N N 15 118.866 0.5 . 1 . . . A 9 VAL N . 19185 1 112 . 1 1 10 10 VAL H H 1 8.399 0.05 . 1 . . . A 10 VAL H . 19185 1 113 . 1 1 10 10 VAL HA H 1 3.443 0.05 . 1 . . . A 10 VAL HA . 19185 1 114 . 1 1 10 10 VAL HB H 1 2.188 0.05 . 1 . . . A 10 VAL HB . 19185 1 115 . 1 1 10 10 VAL HG11 H 1 0.984 0.05 . 2 . . . A 10 VAL HG11 . 19185 1 116 . 1 1 10 10 VAL HG12 H 1 0.984 0.05 . 2 . . . A 10 VAL HG12 . 19185 1 117 . 1 1 10 10 VAL HG13 H 1 0.984 0.05 . 2 . . . A 10 VAL HG13 . 19185 1 118 . 1 1 10 10 VAL HG21 H 1 0.852 0.05 . 2 . . . A 10 VAL HG21 . 19185 1 119 . 1 1 10 10 VAL HG22 H 1 0.852 0.05 . 2 . . . A 10 VAL HG22 . 19185 1 120 . 1 1 10 10 VAL HG23 H 1 0.852 0.05 . 2 . . . A 10 VAL HG23 . 19185 1 121 . 1 1 10 10 VAL C C 13 176.948 0.3 . 1 . . . A 10 VAL C . 19185 1 122 . 1 1 10 10 VAL CA C 13 67.134 0.3 . 1 . . . A 10 VAL CA . 19185 1 123 . 1 1 10 10 VAL CB C 13 30.978 0.3 . 1 . . . A 10 VAL CB . 19185 1 124 . 1 1 10 10 VAL CG1 C 13 23.251 0.3 . 1 . . . A 10 VAL CG1 . 19185 1 125 . 1 1 10 10 VAL CG2 C 13 21.479 0.3 . 1 . . . A 10 VAL CG2 . 19185 1 126 . 1 1 10 10 VAL N N 15 118.095 0.5 . 1 . . . A 10 VAL N . 19185 1 127 . 1 1 11 11 ALA H H 1 8.327 0.05 . 1 . . . A 11 ALA H . 19185 1 128 . 1 1 11 11 ALA HA H 1 3.921 0.05 . 1 . . . A 11 ALA HA . 19185 1 129 . 1 1 11 11 ALA HB1 H 1 1.425 0.05 . 1 . . . A 11 ALA HB1 . 19185 1 130 . 1 1 11 11 ALA HB2 H 1 1.425 0.05 . 1 . . . A 11 ALA HB2 . 19185 1 131 . 1 1 11 11 ALA HB3 H 1 1.425 0.05 . 1 . . . A 11 ALA HB3 . 19185 1 132 . 1 1 11 11 ALA C C 13 178.816 0.3 . 1 . . . A 11 ALA C . 19185 1 133 . 1 1 11 11 ALA CA C 13 55.340 0.3 . 1 . . . A 11 ALA CA . 19185 1 134 . 1 1 11 11 ALA CB C 13 17.668 0.3 . 1 . . . A 11 ALA CB . 19185 1 135 . 1 1 11 11 ALA N N 15 121.128 0.5 . 1 . . . A 11 ALA N . 19185 1 136 . 1 1 12 12 ILE H H 1 8.275 0.05 . 1 . . . A 12 ILE H . 19185 1 137 . 1 1 12 12 ILE HA H 1 3.562 0.05 . 1 . . . A 12 ILE HA . 19185 1 138 . 1 1 12 12 ILE HB H 1 2.039 0.05 . 1 . . . A 12 ILE HB . 19185 1 139 . 1 1 12 12 ILE HG12 H 1 1.919 0.05 . 2 . . . A 12 ILE HG12 . 19185 1 140 . 1 1 12 12 ILE HG13 H 1 1.006 0.05 . 2 . . . A 12 ILE HG13 . 19185 1 141 . 1 1 12 12 ILE HG21 H 1 0.833 0.05 . 1 . . . A 12 ILE HG21 . 19185 1 142 . 1 1 12 12 ILE HG22 H 1 0.833 0.05 . 1 . . . A 12 ILE HG22 . 19185 1 143 . 1 1 12 12 ILE HG23 H 1 0.833 0.05 . 1 . . . A 12 ILE HG23 . 19185 1 144 . 1 1 12 12 ILE HD11 H 1 0.766 0.05 . 1 . . . A 12 ILE HD11 . 19185 1 145 . 1 1 12 12 ILE HD12 H 1 0.766 0.05 . 1 . . . A 12 ILE HD12 . 19185 1 146 . 1 1 12 12 ILE HD13 H 1 0.766 0.05 . 1 . . . A 12 ILE HD13 . 19185 1 147 . 1 1 12 12 ILE C C 13 177.403 0.3 . 1 . . . A 12 ILE C . 19185 1 148 . 1 1 12 12 ILE CA C 13 65.303 0.3 . 1 . . . A 12 ILE CA . 19185 1 149 . 1 1 12 12 ILE CB C 13 37.357 0.3 . 1 . . . A 12 ILE CB . 19185 1 150 . 1 1 12 12 ILE CG1 C 13 29.317 0.3 . 1 . . . A 12 ILE CG1 . 19185 1 151 . 1 1 12 12 ILE CG2 C 13 17.190 0.3 . 1 . . . A 12 ILE CG2 . 19185 1 152 . 1 1 12 12 ILE CD1 C 13 13.210 0.3 . 1 . . . A 12 ILE CD1 . 19185 1 153 . 1 1 12 12 ILE N N 15 116.336 0.5 . 1 . . . A 12 ILE N . 19185 1 154 . 1 1 13 13 ILE H H 1 8.313 0.05 . 1 . . . A 13 ILE H . 19185 1 155 . 1 1 13 13 ILE HA H 1 3.548 0.05 . 1 . . . A 13 ILE HA . 19185 1 156 . 1 1 13 13 ILE HB H 1 1.980 0.05 . 1 . . . A 13 ILE HB . 19185 1 157 . 1 1 13 13 ILE HG12 H 1 1.055 0.05 . 2 . . . A 13 ILE HG12 . 19185 1 158 . 1 1 13 13 ILE HG13 H 1 1.806 0.05 . 2 . . . A 13 ILE HG13 . 19185 1 159 . 1 1 13 13 ILE HG21 H 1 0.818 0.05 . 1 . . . A 13 ILE HG21 . 19185 1 160 . 1 1 13 13 ILE HG22 H 1 0.818 0.05 . 1 . . . A 13 ILE HG22 . 19185 1 161 . 1 1 13 13 ILE HG23 H 1 0.818 0.05 . 1 . . . A 13 ILE HG23 . 19185 1 162 . 1 1 13 13 ILE HD11 H 1 0.733 0.05 . 1 . . . A 13 ILE HD11 . 19185 1 163 . 1 1 13 13 ILE HD12 H 1 0.733 0.05 . 1 . . . A 13 ILE HD12 . 19185 1 164 . 1 1 13 13 ILE HD13 H 1 0.733 0.05 . 1 . . . A 13 ILE HD13 . 19185 1 165 . 1 1 13 13 ILE C C 13 177.352 0.3 . 1 . . . A 13 ILE C . 19185 1 166 . 1 1 13 13 ILE CA C 13 65.410 0.3 . 1 . . . A 13 ILE CA . 19185 1 167 . 1 1 13 13 ILE CB C 13 36.772 0.3 . 1 . . . A 13 ILE CB . 19185 1 168 . 1 1 13 13 ILE CG1 C 13 29.507 0.3 . 1 . . . A 13 ILE CG1 . 19185 1 169 . 1 1 13 13 ILE CG2 C 13 17.419 0.3 . 1 . . . A 13 ILE CG2 . 19185 1 170 . 1 1 13 13 ILE CD1 C 13 12.672 0.3 . 1 . . . A 13 ILE CD1 . 19185 1 171 . 1 1 13 13 ILE N N 15 118.949 0.5 . 1 . . . A 13 ILE N . 19185 1 172 . 1 1 14 14 GLY H H 1 8.656 0.05 . 1 . . . A 14 GLY H . 19185 1 173 . 1 1 14 14 GLY HA2 H 1 3.596 0.05 . 1 . . . A 14 GLY HA2 . 19185 1 174 . 1 1 14 14 GLY HA3 H 1 3.596 0.05 . 1 . . . A 14 GLY HA3 . 19185 1 175 . 1 1 14 14 GLY C C 13 174.576 0.3 . 1 . . . A 14 GLY C . 19185 1 176 . 1 1 14 14 GLY CA C 13 47.509 0.3 . 1 . . . A 14 GLY CA . 19185 1 177 . 1 1 14 14 GLY N N 15 106.566 0.5 . 1 . . . A 14 GLY N . 19185 1 178 . 1 1 15 15 ILE H H 1 8.310 0.05 . 1 . . . A 15 ILE H . 19185 1 179 . 1 1 15 15 ILE HA H 1 3.626 0.05 . 1 . . . A 15 ILE HA . 19185 1 180 . 1 1 15 15 ILE HB H 1 1.953 0.05 . 1 . . . A 15 ILE HB . 19185 1 181 . 1 1 15 15 ILE HD11 H 1 0.764 0.05 . 1 . . . A 15 ILE HD11 . 19185 1 182 . 1 1 15 15 ILE HD12 H 1 0.764 0.05 . 1 . . . A 15 ILE HD12 . 19185 1 183 . 1 1 15 15 ILE HD13 H 1 0.764 0.05 . 1 . . . A 15 ILE HD13 . 19185 1 184 . 1 1 15 15 ILE C C 13 177.226 0.3 . 1 . . . A 15 ILE C . 19185 1 185 . 1 1 15 15 ILE CA C 13 65.302 0.3 . 1 . . . A 15 ILE CA . 19185 1 186 . 1 1 15 15 ILE CB C 13 37.740 0.3 . 1 . . . A 15 ILE CB . 19185 1 187 . 1 1 15 15 ILE CG1 C 13 29.450 0.3 . 1 . . . A 15 ILE CG1 . 19185 1 188 . 1 1 15 15 ILE CG2 C 13 17.248 0.3 . 1 . . . A 15 ILE CG2 . 19185 1 189 . 1 1 15 15 ILE CD1 C 13 13.220 0.3 . 1 . . . A 15 ILE CD1 . 19185 1 190 . 1 1 15 15 ILE N N 15 121.111 0.5 . 1 . . . A 15 ILE N . 19185 1 191 . 1 1 16 16 LEU H H 1 8.250 0.05 . 1 . . . A 16 LEU H . 19185 1 192 . 1 1 16 16 LEU HA H 1 3.966 0.05 . 1 . . . A 16 LEU HA . 19185 1 193 . 1 1 16 16 LEU HB2 H 1 1.367 0.05 . 2 . . . A 16 LEU HB2 . 19185 1 194 . 1 1 16 16 LEU HB3 H 1 1.367 0.05 . 2 . . . A 16 LEU HB3 . 19185 1 195 . 1 1 16 16 LEU HG H 1 1.933 0.05 . 1 . . . A 16 LEU HG . 19185 1 196 . 1 1 16 16 LEU HD11 H 1 0.789 0.05 . 2 . . . A 16 LEU HD11 . 19185 1 197 . 1 1 16 16 LEU HD12 H 1 0.789 0.05 . 2 . . . A 16 LEU HD12 . 19185 1 198 . 1 1 16 16 LEU HD13 H 1 0.789 0.05 . 2 . . . A 16 LEU HD13 . 19185 1 199 . 1 1 16 16 LEU HD21 H 1 0.787 0.05 . 2 . . . A 16 LEU HD21 . 19185 1 200 . 1 1 16 16 LEU HD22 H 1 0.787 0.05 . 2 . . . A 16 LEU HD22 . 19185 1 201 . 1 1 16 16 LEU HD23 H 1 0.787 0.05 . 2 . . . A 16 LEU HD23 . 19185 1 202 . 1 1 16 16 LEU C C 13 178.665 0.3 . 1 . . . A 16 LEU C . 19185 1 203 . 1 1 16 16 LEU CA C 13 57.709 0.3 . 1 . . . A 16 LEU CA . 19185 1 204 . 1 1 16 16 LEU CB C 13 41.500 0.3 . 1 . . . A 16 LEU CB . 19185 1 205 . 1 1 16 16 LEU CG C 13 26.699 0.3 . 1 . . . A 16 LEU CG . 19185 1 206 . 1 1 16 16 LEU CD1 C 13 25.394 0.3 . 1 . . . A 16 LEU CD1 . 19185 1 207 . 1 1 16 16 LEU CD2 C 13 22.830 0.3 . 1 . . . A 16 LEU CD2 . 19185 1 208 . 1 1 16 16 LEU N N 15 117.956 0.5 . 1 . . . A 16 LEU N . 19185 1 209 . 1 1 17 17 ALA H H 1 8.640 0.05 . 1 . . . A 17 ALA H . 19185 1 210 . 1 1 17 17 ALA HA H 1 3.916 0.05 . 1 . . . A 17 ALA HA . 19185 1 211 . 1 1 17 17 ALA HB1 H 1 1.379 0.05 . 1 . . . A 17 ALA HB1 . 19185 1 212 . 1 1 17 17 ALA HB2 H 1 1.379 0.05 . 1 . . . A 17 ALA HB2 . 19185 1 213 . 1 1 17 17 ALA HB3 H 1 1.379 0.05 . 1 . . . A 17 ALA HB3 . 19185 1 214 . 1 1 17 17 ALA C C 13 178.160 0.3 . 1 . . . A 17 ALA C . 19185 1 215 . 1 1 17 17 ALA CA C 13 55.059 0.3 . 1 . . . A 17 ALA CA . 19185 1 216 . 1 1 17 17 ALA CB C 13 17.853 0.3 . 1 . . . A 17 ALA CB . 19185 1 217 . 1 1 17 17 ALA N N 15 119.727 0.5 . 1 . . . A 17 ALA N . 19185 1 218 . 1 1 18 18 ALA H H 1 7.983 0.05 . 1 . . . A 18 ALA H . 19185 1 219 . 1 1 18 18 ALA HA H 1 4.040 0.05 . 1 . . . A 18 ALA HA . 19185 1 220 . 1 1 18 18 ALA HB1 H 1 1.464 0.05 . 1 . . . A 18 ALA HB1 . 19185 1 221 . 1 1 18 18 ALA HB2 H 1 1.464 0.05 . 1 . . . A 18 ALA HB2 . 19185 1 222 . 1 1 18 18 ALA HB3 H 1 1.464 0.05 . 1 . . . A 18 ALA HB3 . 19185 1 223 . 1 1 18 18 ALA C C 13 178.841 0.3 . 1 . . . A 18 ALA C . 19185 1 224 . 1 1 18 18 ALA CA C 13 54.446 0.3 . 1 . . . A 18 ALA CA . 19185 1 225 . 1 1 18 18 ALA CB C 13 18.169 0.3 . 1 . . . A 18 ALA CB . 19185 1 226 . 1 1 18 18 ALA N N 15 117.791 0.5 . 1 . . . A 18 ALA N . 19185 1 227 . 1 1 19 19 ILE H H 1 7.701 0.05 . 1 . . . A 19 ILE H . 19185 1 228 . 1 1 19 19 ILE HA H 1 3.988 0.05 . 1 . . . A 19 ILE HA . 19185 1 229 . 1 1 19 19 ILE HB H 1 1.977 0.05 . 1 . . . A 19 ILE HB . 19185 1 230 . 1 1 19 19 ILE HG12 H 1 1.248 0.05 . 2 . . . A 19 ILE HG12 . 19185 1 231 . 1 1 19 19 ILE HG13 H 1 1.766 0.05 . 2 . . . A 19 ILE HG13 . 19185 1 232 . 1 1 19 19 ILE HG21 H 1 0.904 0.05 . 1 . . . A 19 ILE HG21 . 19185 1 233 . 1 1 19 19 ILE HG22 H 1 0.904 0.05 . 1 . . . A 19 ILE HG22 . 19185 1 234 . 1 1 19 19 ILE HG23 H 1 0.904 0.05 . 1 . . . A 19 ILE HG23 . 19185 1 235 . 1 1 19 19 ILE HD11 H 1 0.804 0.05 . 1 . . . A 19 ILE HD11 . 19185 1 236 . 1 1 19 19 ILE HD12 H 1 0.804 0.05 . 1 . . . A 19 ILE HD12 . 19185 1 237 . 1 1 19 19 ILE HD13 H 1 0.804 0.05 . 1 . . . A 19 ILE HD13 . 19185 1 238 . 1 1 19 19 ILE C C 13 176.696 0.3 . 1 . . . A 19 ILE C . 19185 1 239 . 1 1 19 19 ILE CA C 13 63.024 0.3 . 1 . . . A 19 ILE CA . 19185 1 240 . 1 1 19 19 ILE CB C 13 38.555 0.3 . 1 . . . A 19 ILE CB . 19185 1 241 . 1 1 19 19 ILE CG1 C 13 27.876 0.3 . 1 . . . A 19 ILE CG1 . 19185 1 242 . 1 1 19 19 ILE CG2 C 13 17.406 0.3 . 1 . . . A 19 ILE CG2 . 19185 1 243 . 1 1 19 19 ILE CD1 C 13 13.810 0.3 . 1 . . . A 19 ILE CD1 . 19185 1 244 . 1 1 19 19 ILE N N 15 112.844 0.5 . 1 . . . A 19 ILE N . 19185 1 245 . 1 1 20 20 ALA H H 1 8.086 0.05 . 1 . . . A 20 ALA H . 19185 1 246 . 1 1 20 20 ALA HA H 1 4.271 0.05 . 1 . . . A 20 ALA HA . 19185 1 247 . 1 1 20 20 ALA HB1 H 1 1.442 0.05 . 1 . . . A 20 ALA HB1 . 19185 1 248 . 1 1 20 20 ALA HB2 H 1 1.442 0.05 . 1 . . . A 20 ALA HB2 . 19185 1 249 . 1 1 20 20 ALA HB3 H 1 1.442 0.05 . 1 . . . A 20 ALA HB3 . 19185 1 250 . 1 1 20 20 ALA CA C 13 53.551 0.3 . 1 . . . A 20 ALA CA . 19185 1 251 . 1 1 20 20 ALA CB C 13 19.883 0.3 . 1 . . . A 20 ALA CB . 19185 1 252 . 1 1 20 20 ALA N N 15 120.774 0.5 . 1 . . . A 20 ALA N . 19185 1 253 . 1 1 21 21 ILE H H 1 8.056 0.05 . 1 . . . A 21 ILE H . 19185 1 254 . 1 1 21 21 ILE HA H 1 4.224 0.05 . 1 . . . A 21 ILE HA . 19185 1 255 . 1 1 21 21 ILE HB H 1 2.176 0.05 . 1 . . . A 21 ILE HB . 19185 1 256 . 1 1 21 21 ILE HG12 H 1 1.201 0.05 . 2 . . . A 21 ILE HG12 . 19185 1 257 . 1 1 21 21 ILE HG13 H 1 1.767 0.05 . 2 . . . A 21 ILE HG13 . 19185 1 258 . 1 1 21 21 ILE HG21 H 1 0.917 0.05 . 1 . . . A 21 ILE HG21 . 19185 1 259 . 1 1 21 21 ILE HG22 H 1 0.917 0.05 . 1 . . . A 21 ILE HG22 . 19185 1 260 . 1 1 21 21 ILE HG23 H 1 0.917 0.05 . 1 . . . A 21 ILE HG23 . 19185 1 261 . 1 1 21 21 ILE HD11 H 1 0.858 0.05 . 1 . . . A 21 ILE HD11 . 19185 1 262 . 1 1 21 21 ILE HD12 H 1 0.858 0.05 . 1 . . . A 21 ILE HD12 . 19185 1 263 . 1 1 21 21 ILE HD13 H 1 0.858 0.05 . 1 . . . A 21 ILE HD13 . 19185 1 264 . 1 1 21 21 ILE CA C 13 62.626 0.3 . 1 . . . A 21 ILE CA . 19185 1 265 . 1 1 21 21 ILE CB C 13 36.834 0.3 . 1 . . . A 21 ILE CB . 19185 1 266 . 1 1 21 21 ILE CG1 C 13 28.575 0.3 . 1 . . . A 21 ILE CG1 . 19185 1 267 . 1 1 21 21 ILE CG2 C 13 17.407 0.3 . 1 . . . A 21 ILE CG2 . 19185 1 268 . 1 1 21 21 ILE CD1 C 13 13.192 0.3 . 1 . . . A 21 ILE CD1 . 19185 1 269 . 1 1 21 21 ILE N N 15 117.619 0.5 . 1 . . . A 21 ILE N . 19185 1 270 . 1 1 22 22 PRO HA H 1 4.384 0.05 . 1 . . . A 22 PRO HA . 19185 1 271 . 1 1 22 22 PRO HB2 H 1 2.368 0.05 . 2 . . . A 22 PRO HB2 . 19185 1 272 . 1 1 22 22 PRO HB3 H 1 1.891 0.05 . 2 . . . A 22 PRO HB3 . 19185 1 273 . 1 1 22 22 PRO HG2 H 1 1.991 0.05 . 2 . . . A 22 PRO HG2 . 19185 1 274 . 1 1 22 22 PRO HG3 H 1 2.150 0.05 . 2 . . . A 22 PRO HG3 . 19185 1 275 . 1 1 22 22 PRO HD2 H 1 3.727 0.05 . 2 . . . A 22 PRO HD2 . 19185 1 276 . 1 1 22 22 PRO HD3 H 1 3.855 0.05 . 2 . . . A 22 PRO HD3 . 19185 1 277 . 1 1 22 22 PRO CA C 13 65.209 0.3 . 1 . . . A 22 PRO CA . 19185 1 278 . 1 1 22 22 PRO CB C 13 31.528 0.3 . 1 . . . A 22 PRO CB . 19185 1 279 . 1 1 22 22 PRO CG C 13 27.802 0.3 . 1 . . . A 22 PRO CG . 19185 1 280 . 1 1 22 22 PRO CD C 13 50.750 0.3 . 1 . . . A 22 PRO CD . 19185 1 281 . 1 1 23 23 GLN H H 1 8.123 0.05 . 1 . . . A 23 GLN H . 19185 1 282 . 1 1 23 23 GLN HA H 1 4.200 0.05 . 1 . . . A 23 GLN HA . 19185 1 283 . 1 1 23 23 GLN HB2 H 1 1.988 0.05 . 2 . . . A 23 GLN HB2 . 19185 1 284 . 1 1 23 23 GLN HB3 H 1 1.988 0.05 . 2 . . . A 23 GLN HB3 . 19185 1 285 . 1 1 23 23 GLN HG2 H 1 2.307 0.05 . 2 . . . A 23 GLN HG2 . 19185 1 286 . 1 1 23 23 GLN HG3 H 1 2.307 0.05 . 2 . . . A 23 GLN HG3 . 19185 1 287 . 1 1 23 23 GLN HE21 H 1 7.254 0.05 . 2 . . . A 23 GLN HE21 . 19185 1 288 . 1 1 23 23 GLN C C 13 176.898 0.3 . 1 . . . A 23 GLN C . 19185 1 289 . 1 1 23 23 GLN CA C 13 57.426 0.3 . 1 . . . A 23 GLN CA . 19185 1 290 . 1 1 23 23 GLN CB C 13 28.037 0.3 . 1 . . . A 23 GLN CB . 19185 1 291 . 1 1 23 23 GLN N N 15 115.494 0.5 . 1 . . . A 23 GLN N . 19185 1 292 . 1 1 24 24 PHE H H 1 8.068 0.05 . 1 . . . A 24 PHE H . 19185 1 293 . 1 1 24 24 PHE HA H 1 4.672 0.05 . 1 . . . A 24 PHE HA . 19185 1 294 . 1 1 24 24 PHE HB2 H 1 3.176 0.05 . 2 . . . A 24 PHE HB2 . 19185 1 295 . 1 1 24 24 PHE HB3 H 1 3.353 0.05 . 2 . . . A 24 PHE HB3 . 19185 1 296 . 1 1 24 24 PHE C C 13 176.494 0.3 . 1 . . . A 24 PHE C . 19185 1 297 . 1 1 24 24 PHE CA C 13 58.317 0.3 . 1 . . . A 24 PHE CA . 19185 1 298 . 1 1 24 24 PHE CB C 13 38.912 0.3 . 1 . . . A 24 PHE CB . 19185 1 299 . 1 1 24 24 PHE N N 15 118.541 0.5 . 1 . . . A 24 PHE N . 19185 1 300 . 1 1 25 25 SER H H 1 8.081 0.05 . 1 . . . A 25 SER H . 19185 1 301 . 1 1 25 25 SER HA H 1 4.278 0.05 . 1 . . . A 25 SER HA . 19185 1 302 . 1 1 25 25 SER HB2 H 1 3.968 0.05 . 2 . . . A 25 SER HB2 . 19185 1 303 . 1 1 25 25 SER HB3 H 1 3.968 0.05 . 2 . . . A 25 SER HB3 . 19185 1 304 . 1 1 25 25 SER C C 13 175.308 0.3 . 1 . . . A 25 SER C . 19185 1 305 . 1 1 25 25 SER CA C 13 60.288 0.3 . 1 . . . A 25 SER CA . 19185 1 306 . 1 1 25 25 SER CB C 13 63.278 0.3 . 1 . . . A 25 SER CB . 19185 1 307 . 1 1 25 25 SER N N 15 115.228 0.5 . 1 . . . A 25 SER N . 19185 1 308 . 1 1 26 26 ALA H H 1 8.151 0.05 . 1 . . . A 26 ALA H . 19185 1 309 . 1 1 26 26 ALA HA H 1 4.196 0.05 . 1 . . . A 26 ALA HA . 19185 1 310 . 1 1 26 26 ALA HB1 H 1 1.325 0.05 . 1 . . . A 26 ALA HB1 . 19185 1 311 . 1 1 26 26 ALA HB2 H 1 1.325 0.05 . 1 . . . A 26 ALA HB2 . 19185 1 312 . 1 1 26 26 ALA HB3 H 1 1.325 0.05 . 1 . . . A 26 ALA HB3 . 19185 1 313 . 1 1 26 26 ALA C C 13 178.387 0.3 . 1 . . . A 26 ALA C . 19185 1 314 . 1 1 26 26 ALA CA C 13 53.649 0.3 . 1 . . . A 26 ALA CA . 19185 1 315 . 1 1 26 26 ALA CB C 13 18.468 0.3 . 1 . . . A 26 ALA CB . 19185 1 316 . 1 1 26 26 ALA N N 15 123.792 0.5 . 1 . . . A 26 ALA N . 19185 1 317 . 1 1 27 27 TYR H H 1 7.830 0.05 . 1 . . . A 27 TYR H . 19185 1 318 . 1 1 27 27 TYR HA H 1 4.380 0.05 . 1 . . . A 27 TYR HA . 19185 1 319 . 1 1 27 27 TYR HB2 H 1 3.087 0.05 . 2 . . . A 27 TYR HB2 . 19185 1 320 . 1 1 27 27 TYR HB3 H 1 2.986 0.05 . 2 . . . A 27 TYR HB3 . 19185 1 321 . 1 1 27 27 TYR C C 13 176.090 0.3 . 1 . . . A 27 TYR C . 19185 1 322 . 1 1 27 27 TYR CA C 13 58.961 0.3 . 1 . . . A 27 TYR CA . 19185 1 323 . 1 1 27 27 TYR CB C 13 38.370 0.3 . 1 . . . A 27 TYR CB . 19185 1 324 . 1 1 27 27 TYR N N 15 116.956 0.5 . 1 . . . A 27 TYR N . 19185 1 325 . 1 1 28 28 ARG H H 1 7.814 0.05 . 1 . . . A 28 ARG H . 19185 1 326 . 1 1 28 28 ARG HA H 1 4.134 0.05 . 1 . . . A 28 ARG HA . 19185 1 327 . 1 1 28 28 ARG HB2 H 1 1.817 0.05 . 2 . . . A 28 ARG HB2 . 19185 1 328 . 1 1 28 28 ARG HB3 H 1 1.817 0.05 . 2 . . . A 28 ARG HB3 . 19185 1 329 . 1 1 28 28 ARG HG2 H 1 1.611 0.05 . 2 . . . A 28 ARG HG2 . 19185 1 330 . 1 1 28 28 ARG HG3 H 1 1.611 0.05 . 2 . . . A 28 ARG HG3 . 19185 1 331 . 1 1 28 28 ARG HD2 H 1 3.192 0.05 . 2 . . . A 28 ARG HD2 . 19185 1 332 . 1 1 28 28 ARG HD3 H 1 3.192 0.05 . 2 . . . A 28 ARG HD3 . 19185 1 333 . 1 1 28 28 ARG C C 13 176.595 0.3 . 1 . . . A 28 ARG C . 19185 1 334 . 1 1 28 28 ARG CA C 13 57.237 0.3 . 1 . . . A 28 ARG CA . 19185 1 335 . 1 1 28 28 ARG CB C 13 30.472 0.3 . 1 . . . A 28 ARG CB . 19185 1 336 . 1 1 28 28 ARG N N 15 119.962 0.5 . 1 . . . A 28 ARG N . 19185 1 337 . 1 1 29 29 VAL H H 1 7.819 0.05 . 1 . . . A 29 VAL H . 19185 1 338 . 1 1 29 29 VAL HA H 1 3.966 0.05 . 1 . . . A 29 VAL HA . 19185 1 339 . 1 1 29 29 VAL HB H 1 2.112 0.05 . 1 . . . A 29 VAL HB . 19185 1 340 . 1 1 29 29 VAL HG11 H 1 0.968 0.05 . 2 . . . A 29 VAL HG11 . 19185 1 341 . 1 1 29 29 VAL HG12 H 1 0.968 0.05 . 2 . . . A 29 VAL HG12 . 19185 1 342 . 1 1 29 29 VAL HG13 H 1 0.968 0.05 . 2 . . . A 29 VAL HG13 . 19185 1 343 . 1 1 29 29 VAL HG21 H 1 0.968 0.05 . 2 . . . A 29 VAL HG21 . 19185 1 344 . 1 1 29 29 VAL HG22 H 1 0.968 0.05 . 2 . . . A 29 VAL HG22 . 19185 1 345 . 1 1 29 29 VAL HG23 H 1 0.968 0.05 . 2 . . . A 29 VAL HG23 . 19185 1 346 . 1 1 29 29 VAL C C 13 176.545 0.3 . 1 . . . A 29 VAL C . 19185 1 347 . 1 1 29 29 VAL CA C 13 63.457 0.3 . 1 . . . A 29 VAL CA . 19185 1 348 . 1 1 29 29 VAL CB C 13 32.216 0.3 . 1 . . . A 29 VAL CB . 19185 1 349 . 1 1 29 29 VAL CG1 C 13 21.114 0.3 . 1 . . . A 29 VAL CG1 . 19185 1 350 . 1 1 29 29 VAL CG2 C 13 21.141 0.3 . 1 . . . A 29 VAL CG2 . 19185 1 351 . 1 1 29 29 VAL N N 15 118.483 0.5 . 1 . . . A 29 VAL N . 19185 1 352 . 1 1 30 30 LYS H H 1 7.962 0.05 . 1 . . . A 30 LYS H . 19185 1 353 . 1 1 30 30 LYS HA H 1 4.199 0.05 . 1 . . . A 30 LYS HA . 19185 1 354 . 1 1 30 30 LYS HB2 H 1 1.783 0.05 . 2 . . . A 30 LYS HB2 . 19185 1 355 . 1 1 30 30 LYS HB3 H 1 1.783 0.05 . 2 . . . A 30 LYS HB3 . 19185 1 356 . 1 1 30 30 LYS HG2 H 1 1.434 0.05 . 2 . . . A 30 LYS HG2 . 19185 1 357 . 1 1 30 30 LYS HG3 H 1 1.409 0.05 . 2 . . . A 30 LYS HG3 . 19185 1 358 . 1 1 30 30 LYS HD2 H 1 1.681 0.05 . 2 . . . A 30 LYS HD2 . 19185 1 359 . 1 1 30 30 LYS HD3 H 1 1.681 0.05 . 2 . . . A 30 LYS HD3 . 19185 1 360 . 1 1 30 30 LYS HE2 H 1 2.962 0.05 . 2 . . . A 30 LYS HE2 . 19185 1 361 . 1 1 30 30 LYS HE3 H 1 2.962 0.05 . 2 . . . A 30 LYS HE3 . 19185 1 362 . 1 1 30 30 LYS CA C 13 57.014 0.3 . 1 . . . A 30 LYS CA . 19185 1 363 . 1 1 30 30 LYS CB C 13 32.637 0.3 . 1 . . . A 30 LYS CB . 19185 1 364 . 1 1 30 30 LYS CG C 13 24.850 0.3 . 1 . . . A 30 LYS CG . 19185 1 365 . 1 1 30 30 LYS CD C 13 29.034 0.3 . 1 . . . A 30 LYS CD . 19185 1 366 . 1 1 30 30 LYS CE C 13 42.014 0.3 . 1 . . . A 30 LYS CE . 19185 1 367 . 1 1 30 30 LYS N N 15 122.256 0.5 . 1 . . . A 30 LYS N . 19185 1 368 . 1 1 31 31 ALA H H 1 8.053 0.05 . 1 . . . A 31 ALA H . 19185 1 369 . 1 1 31 31 ALA HA H 1 4.208 0.05 . 1 . . . A 31 ALA HA . 19185 1 370 . 1 1 31 31 ALA HB1 H 1 1.315 0.05 . 1 . . . A 31 ALA HB1 . 19185 1 371 . 1 1 31 31 ALA HB2 H 1 1.315 0.05 . 1 . . . A 31 ALA HB2 . 19185 1 372 . 1 1 31 31 ALA HB3 H 1 1.315 0.05 . 1 . . . A 31 ALA HB3 . 19185 1 373 . 1 1 31 31 ALA C C 13 177.680 0.3 . 1 . . . A 31 ALA C . 19185 1 374 . 1 1 31 31 ALA CA C 13 52.849 0.3 . 1 . . . A 31 ALA CA . 19185 1 375 . 1 1 31 31 ALA CB C 13 19.030 0.3 . 1 . . . A 31 ALA CB . 19185 1 376 . 1 1 31 31 ALA N N 15 122.625 0.5 . 1 . . . A 31 ALA N . 19185 1 377 . 1 1 32 32 TYR H H 1 8.016 0.05 . 1 . . . A 32 TYR H . 19185 1 378 . 1 1 32 32 TYR HA H 1 4.448 0.05 . 1 . . . A 32 TYR HA . 19185 1 379 . 1 1 32 32 TYR HB2 H 1 3.064 0.05 . 2 . . . A 32 TYR HB2 . 19185 1 380 . 1 1 32 32 TYR HB3 H 1 2.978 0.05 . 2 . . . A 32 TYR HB3 . 19185 1 381 . 1 1 32 32 TYR C C 13 175.686 0.3 . 1 . . . A 32 TYR C . 19185 1 382 . 1 1 32 32 TYR CA C 13 58.576 0.3 . 1 . . . A 32 TYR CA . 19185 1 383 . 1 1 32 32 TYR CB C 13 38.471 0.3 . 1 . . . A 32 TYR CB . 19185 1 384 . 1 1 32 32 TYR N N 15 118.444 0.5 . 1 . . . A 32 TYR N . 19185 1 385 . 1 1 33 33 ASN H H 1 8.174 0.05 . 1 . . . A 33 ASN H . 19185 1 386 . 1 1 33 33 ASN HA H 1 4.653 0.05 . 1 . . . A 33 ASN HA . 19185 1 387 . 1 1 33 33 ASN HB2 H 1 2.845 0.05 . 2 . . . A 33 ASN HB2 . 19185 1 388 . 1 1 33 33 ASN HB3 H 1 2.778 0.05 . 2 . . . A 33 ASN HB3 . 19185 1 389 . 1 1 33 33 ASN HD21 H 1 7.097 0.05 . 2 . . . A 33 ASN HD21 . 19185 1 390 . 1 1 33 33 ASN C C 13 175.510 0.3 . 1 . . . A 33 ASN C . 19185 1 391 . 1 1 33 33 ASN CA C 13 53.558 0.3 . 1 . . . A 33 ASN CA . 19185 1 392 . 1 1 33 33 ASN CB C 13 38.791 0.3 . 1 . . . A 33 ASN CB . 19185 1 393 . 1 1 33 33 ASN N N 15 119.421 0.5 . 1 . . . A 33 ASN N . 19185 1 394 . 1 1 34 34 SER H H 1 8.143 0.05 . 1 . . . A 34 SER H . 19185 1 395 . 1 1 34 34 SER HA H 1 4.359 0.05 . 1 . . . A 34 SER HA . 19185 1 396 . 1 1 34 34 SER HB2 H 1 3.890 0.05 . 2 . . . A 34 SER HB2 . 19185 1 397 . 1 1 34 34 SER HB3 H 1 3.966 0.05 . 2 . . . A 34 SER HB3 . 19185 1 398 . 1 1 34 34 SER C C 13 174.727 0.3 . 1 . . . A 34 SER C . 19185 1 399 . 1 1 34 34 SER CA C 13 59.127 0.3 . 1 . . . A 34 SER CA . 19185 1 400 . 1 1 34 34 SER CB C 13 63.582 0.3 . 1 . . . A 34 SER CB . 19185 1 401 . 1 1 34 34 SER N N 15 116.151 0.5 . 1 . . . A 34 SER N . 19185 1 402 . 1 1 35 35 ALA H H 1 8.204 0.05 . 1 . . . A 35 ALA H . 19185 1 403 . 1 1 35 35 ALA HA H 1 4.337 0.05 . 1 . . . A 35 ALA HA . 19185 1 404 . 1 1 35 35 ALA HB1 H 1 1.421 0.05 . 1 . . . A 35 ALA HB1 . 19185 1 405 . 1 1 35 35 ALA HB2 H 1 1.421 0.05 . 1 . . . A 35 ALA HB2 . 19185 1 406 . 1 1 35 35 ALA HB3 H 1 1.421 0.05 . 1 . . . A 35 ALA HB3 . 19185 1 407 . 1 1 35 35 ALA C C 13 177.807 0.3 . 1 . . . A 35 ALA C . 19185 1 408 . 1 1 35 35 ALA CA C 13 53.051 0.3 . 1 . . . A 35 ALA CA . 19185 1 409 . 1 1 35 35 ALA CB C 13 18.962 0.3 . 1 . . . A 35 ALA CB . 19185 1 410 . 1 1 35 35 ALA N N 15 125.119 0.5 . 1 . . . A 35 ALA N . 19185 1 411 . 1 1 36 36 ALA H H 1 8.134 0.05 . 1 . . . A 36 ALA H . 19185 1 412 . 1 1 36 36 ALA HA H 1 4.290 0.05 . 1 . . . A 36 ALA HA . 19185 1 413 . 1 1 36 36 ALA HB1 H 1 1.414 0.05 . 1 . . . A 36 ALA HB1 . 19185 1 414 . 1 1 36 36 ALA HB2 H 1 1.414 0.05 . 1 . . . A 36 ALA HB2 . 19185 1 415 . 1 1 36 36 ALA HB3 H 1 1.414 0.05 . 1 . . . A 36 ALA HB3 . 19185 1 416 . 1 1 36 36 ALA C C 13 178.059 0.3 . 1 . . . A 36 ALA C . 19185 1 417 . 1 1 36 36 ALA CA C 13 52.950 0.3 . 1 . . . A 36 ALA CA . 19185 1 418 . 1 1 36 36 ALA CB C 13 19.030 0.3 . 1 . . . A 36 ALA CB . 19185 1 419 . 1 1 36 36 ALA N N 15 121.508 0.5 . 1 . . . A 36 ALA N . 19185 1 420 . 1 1 37 37 SER H H 1 8.071 0.05 . 1 . . . A 37 SER H . 19185 1 421 . 1 1 37 37 SER HA H 1 4.365 0.05 . 1 . . . A 37 SER HA . 19185 1 422 . 1 1 37 37 SER HB2 H 1 3.918 0.05 . 2 . . . A 37 SER HB2 . 19185 1 423 . 1 1 37 37 SER HB3 H 1 3.963 0.05 . 2 . . . A 37 SER HB3 . 19185 1 424 . 1 1 37 37 SER C C 13 175.384 0.3 . 1 . . . A 37 SER C . 19185 1 425 . 1 1 37 37 SER CA C 13 59.127 0.3 . 1 . . . A 37 SER CA . 19185 1 426 . 1 1 37 37 SER CB C 13 63.379 0.3 . 1 . . . A 37 SER CB . 19185 1 427 . 1 1 37 37 SER N N 15 113.501 0.5 . 1 . . . A 37 SER N . 19185 1 428 . 1 1 38 38 SER H H 1 8.170 0.05 . 1 . . . A 38 SER H . 19185 1 429 . 1 1 38 38 SER HA H 1 4.371 0.05 . 1 . . . A 38 SER HA . 19185 1 430 . 1 1 38 38 SER HB2 H 1 3.890 0.05 . 2 . . . A 38 SER HB2 . 19185 1 431 . 1 1 38 38 SER HB3 H 1 3.958 0.05 . 2 . . . A 38 SER HB3 . 19185 1 432 . 1 1 38 38 SER C C 13 174.828 0.3 . 1 . . . A 38 SER C . 19185 1 433 . 1 1 38 38 SER CA C 13 59.485 0.3 . 1 . . . A 38 SER CA . 19185 1 434 . 1 1 38 38 SER CB C 13 63.379 0.3 . 1 . . . A 38 SER CB . 19185 1 435 . 1 1 38 38 SER N N 15 117.437 0.5 . 1 . . . A 38 SER N . 19185 1 436 . 1 1 39 39 ASP H H 1 8.216 0.05 . 1 . . . A 39 ASP H . 19185 1 437 . 1 1 39 39 ASP HA H 1 4.596 0.05 . 1 . . . A 39 ASP HA . 19185 1 438 . 1 1 39 39 ASP HB2 H 1 2.753 0.05 . 2 . . . A 39 ASP HB2 . 19185 1 439 . 1 1 39 39 ASP HB3 H 1 2.753 0.05 . 2 . . . A 39 ASP HB3 . 19185 1 440 . 1 1 39 39 ASP C C 13 177.226 0.3 . 1 . . . A 39 ASP C . 19185 1 441 . 1 1 39 39 ASP CA C 13 55.191 0.3 . 1 . . . A 39 ASP CA . 19185 1 442 . 1 1 39 39 ASP CB C 13 40.395 0.3 . 1 . . . A 39 ASP CB . 19185 1 443 . 1 1 39 39 ASP N N 15 121.556 0.5 . 1 . . . A 39 ASP N . 19185 1 444 . 1 1 40 40 LEU H H 1 8.265 0.05 . 1 . . . A 40 LEU H . 19185 1 445 . 1 1 40 40 LEU HA H 1 4.182 0.05 . 1 . . . A 40 LEU HA . 19185 1 446 . 1 1 40 40 LEU HB2 H 1 1.760 0.05 . 2 . . . A 40 LEU HB2 . 19185 1 447 . 1 1 40 40 LEU HB3 H 1 1.760 0.05 . 2 . . . A 40 LEU HB3 . 19185 1 448 . 1 1 40 40 LEU HG H 1 1.650 0.05 . 1 . . . A 40 LEU HG . 19185 1 449 . 1 1 40 40 LEU HD11 H 1 0.925 0.05 . 2 . . . A 40 LEU HD11 . 19185 1 450 . 1 1 40 40 LEU HD12 H 1 0.925 0.05 . 2 . . . A 40 LEU HD12 . 19185 1 451 . 1 1 40 40 LEU HD13 H 1 0.925 0.05 . 2 . . . A 40 LEU HD13 . 19185 1 452 . 1 1 40 40 LEU HD21 H 1 0.859 0.05 . 2 . . . A 40 LEU HD21 . 19185 1 453 . 1 1 40 40 LEU HD22 H 1 0.859 0.05 . 2 . . . A 40 LEU HD22 . 19185 1 454 . 1 1 40 40 LEU HD23 H 1 0.859 0.05 . 2 . . . A 40 LEU HD23 . 19185 1 455 . 1 1 40 40 LEU C C 13 178.109 0.3 . 1 . . . A 40 LEU C . 19185 1 456 . 1 1 40 40 LEU CA C 13 56.702 0.3 . 1 . . . A 40 LEU CA . 19185 1 457 . 1 1 40 40 LEU CB C 13 41.508 0.3 . 1 . . . A 40 LEU CB . 19185 1 458 . 1 1 40 40 LEU CG C 13 27.122 0.3 . 1 . . . A 40 LEU CG . 19185 1 459 . 1 1 40 40 LEU CD1 C 13 24.786 0.3 . 1 . . . A 40 LEU CD1 . 19185 1 460 . 1 1 40 40 LEU CD2 C 13 24.046 0.3 . 1 . . . A 40 LEU CD2 . 19185 1 461 . 1 1 40 40 LEU N N 15 121.423 0.5 . 1 . . . A 40 LEU N . 19185 1 462 . 1 1 41 41 ARG H H 1 8.109 0.05 . 1 . . . A 41 ARG H . 19185 1 463 . 1 1 41 41 ARG HA H 1 4.060 0.05 . 1 . . . A 41 ARG HA . 19185 1 464 . 1 1 41 41 ARG HB2 H 1 1.925 0.05 . 2 . . . A 41 ARG HB2 . 19185 1 465 . 1 1 41 41 ARG HB3 H 1 1.925 0.05 . 2 . . . A 41 ARG HB3 . 19185 1 466 . 1 1 41 41 ARG HG2 H 1 1.657 0.05 . 2 . . . A 41 ARG HG2 . 19185 1 467 . 1 1 41 41 ARG HG3 H 1 1.657 0.05 . 2 . . . A 41 ARG HG3 . 19185 1 468 . 1 1 41 41 ARG HD2 H 1 3.232 0.05 . 2 . . . A 41 ARG HD2 . 19185 1 469 . 1 1 41 41 ARG HD3 H 1 3.232 0.05 . 2 . . . A 41 ARG HD3 . 19185 1 470 . 1 1 41 41 ARG C C 13 178.160 0.3 . 1 . . . A 41 ARG C . 19185 1 471 . 1 1 41 41 ARG CA C 13 58.926 0.3 . 1 . . . A 41 ARG CA . 19185 1 472 . 1 1 41 41 ARG CB C 13 29.763 0.3 . 1 . . . A 41 ARG CB . 19185 1 473 . 1 1 41 41 ARG N N 15 119.425 0.5 . 1 . . . A 41 ARG N . 19185 1 474 . 1 1 42 42 ASN H H 1 8.239 0.05 . 1 . . . A 42 ASN H . 19185 1 475 . 1 1 42 42 ASN HA H 1 4.623 0.05 . 1 . . . A 42 ASN HA . 19185 1 476 . 1 1 42 42 ASN HB2 H 1 2.896 0.05 . 2 . . . A 42 ASN HB2 . 19185 1 477 . 1 1 42 42 ASN HB3 H 1 2.896 0.05 . 2 . . . A 42 ASN HB3 . 19185 1 478 . 1 1 42 42 ASN HD21 H 1 6.937 0.05 . 2 . . . A 42 ASN HD21 . 19185 1 479 . 1 1 42 42 ASN HD22 H 1 7.727 0.05 . 2 . . . A 42 ASN HD22 . 19185 1 480 . 1 1 42 42 ASN C C 13 177.049 0.3 . 1 . . . A 42 ASN C . 19185 1 481 . 1 1 42 42 ASN CA C 13 54.671 0.3 . 1 . . . A 42 ASN CA . 19185 1 482 . 1 1 42 42 ASN CB C 13 37.965 0.3 . 1 . . . A 42 ASN CB . 19185 1 483 . 1 1 42 42 ASN N N 15 117.770 0.5 . 1 . . . A 42 ASN N . 19185 1 484 . 1 1 42 42 ASN ND2 N 15 112.504 0.5 . 1 . . . A 42 ASN ND2 . 19185 1 485 . 1 1 43 43 LEU H H 1 8.048 0.05 . 1 . . . A 43 LEU H . 19185 1 486 . 1 1 43 43 LEU HA H 1 4.158 0.05 . 1 . . . A 43 LEU HA . 19185 1 487 . 1 1 43 43 LEU HB2 H 1 1.744 0.05 . 2 . . . A 43 LEU HB2 . 19185 1 488 . 1 1 43 43 LEU HB3 H 1 1.744 0.05 . 2 . . . A 43 LEU HB3 . 19185 1 489 . 1 1 43 43 LEU HG H 1 1.798 0.05 . 1 . . . A 43 LEU HG . 19185 1 490 . 1 1 43 43 LEU HD11 H 1 0.851 0.05 . 2 . . . A 43 LEU HD11 . 19185 1 491 . 1 1 43 43 LEU HD12 H 1 0.851 0.05 . 2 . . . A 43 LEU HD12 . 19185 1 492 . 1 1 43 43 LEU HD13 H 1 0.851 0.05 . 2 . . . A 43 LEU HD13 . 19185 1 493 . 1 1 43 43 LEU HD21 H 1 0.851 0.05 . 2 . . . A 43 LEU HD21 . 19185 1 494 . 1 1 43 43 LEU HD22 H 1 0.851 0.05 . 2 . . . A 43 LEU HD22 . 19185 1 495 . 1 1 43 43 LEU HD23 H 1 0.851 0.05 . 2 . . . A 43 LEU HD23 . 19185 1 496 . 1 1 43 43 LEU C C 13 177.504 0.3 . 1 . . . A 43 LEU C . 19185 1 497 . 1 1 43 43 LEU CA C 13 57.507 0.3 . 1 . . . A 43 LEU CA . 19185 1 498 . 1 1 43 43 LEU CB C 13 41.739 0.3 . 1 . . . A 43 LEU CB . 19185 1 499 . 1 1 43 43 LEU CG C 13 27.065 0.3 . 1 . . . A 43 LEU CG . 19185 1 500 . 1 1 43 43 LEU CD1 C 13 24.046 0.3 . 1 . . . A 43 LEU CD1 . 19185 1 501 . 1 1 43 43 LEU N N 15 122.159 0.5 . 1 . . . A 43 LEU N . 19185 1 502 . 1 1 44 44 LYS H H 1 8.212 0.05 . 1 . . . A 44 LYS H . 19185 1 503 . 1 1 44 44 LYS HA H 1 3.896 0.05 . 1 . . . A 44 LYS HA . 19185 1 504 . 1 1 44 44 LYS HB2 H 1 1.858 0.05 . 2 . . . A 44 LYS HB2 . 19185 1 505 . 1 1 44 44 LYS HB3 H 1 2.032 0.05 . 2 . . . A 44 LYS HB3 . 19185 1 506 . 1 1 44 44 LYS HG2 H 1 1.398 0.05 . 2 . . . A 44 LYS HG2 . 19185 1 507 . 1 1 44 44 LYS HG3 H 1 1.479 0.05 . 2 . . . A 44 LYS HG3 . 19185 1 508 . 1 1 44 44 LYS HD2 H 1 1.686 0.05 . 2 . . . A 44 LYS HD2 . 19185 1 509 . 1 1 44 44 LYS HD3 H 1 1.686 0.05 . 2 . . . A 44 LYS HD3 . 19185 1 510 . 1 1 44 44 LYS C C 13 178.059 0.3 . 1 . . . A 44 LYS C . 19185 1 511 . 1 1 44 44 LYS CA C 13 60.139 0.3 . 1 . . . A 44 LYS CA . 19185 1 512 . 1 1 44 44 LYS CB C 13 32.396 0.3 . 1 . . . A 44 LYS CB . 19185 1 513 . 1 1 44 44 LYS CG C 13 25.039 0.3 . 1 . . . A 44 LYS CG . 19185 1 514 . 1 1 44 44 LYS CD C 13 29.549 0.3 . 1 . . . A 44 LYS CD . 19185 1 515 . 1 1 44 44 LYS CE C 13 41.948 0.3 . 1 . . . A 44 LYS CE . 19185 1 516 . 1 1 44 44 LYS N N 15 119.015 0.5 . 1 . . . A 44 LYS N . 19185 1 517 . 1 1 45 45 THR H H 1 8.080 0.05 . 1 . . . A 45 THR H . 19185 1 518 . 1 1 45 45 THR HA H 1 4.032 0.05 . 1 . . . A 45 THR HA . 19185 1 519 . 1 1 45 45 THR HB H 1 4.260 0.05 . 1 . . . A 45 THR HB . 19185 1 520 . 1 1 45 45 THR HG21 H 1 1.274 0.05 . 1 . . . A 45 THR HG21 . 19185 1 521 . 1 1 45 45 THR HG22 H 1 1.274 0.05 . 1 . . . A 45 THR HG22 . 19185 1 522 . 1 1 45 45 THR HG23 H 1 1.274 0.05 . 1 . . . A 45 THR HG23 . 19185 1 523 . 1 1 45 45 THR C C 13 176.469 0.3 . 1 . . . A 45 THR C . 19185 1 524 . 1 1 45 45 THR CA C 13 65.303 0.3 . 1 . . . A 45 THR CA . 19185 1 525 . 1 1 45 45 THR CB C 13 68.645 0.3 . 1 . . . A 45 THR CB . 19185 1 526 . 1 1 45 45 THR CG2 C 13 21.857 0.3 . 1 . . . A 45 THR CG2 . 19185 1 527 . 1 1 45 45 THR N N 15 113.770 0.5 . 1 . . . A 45 THR N . 19185 1 528 . 1 1 46 46 ALA H H 1 8.048 0.05 . 1 . . . A 46 ALA H . 19185 1 529 . 1 1 46 46 ALA HA H 1 4.173 0.05 . 1 . . . A 46 ALA HA . 19185 1 530 . 1 1 46 46 ALA HB1 H 1 1.507 0.05 . 1 . . . A 46 ALA HB1 . 19185 1 531 . 1 1 46 46 ALA HB2 H 1 1.507 0.05 . 1 . . . A 46 ALA HB2 . 19185 1 532 . 1 1 46 46 ALA HB3 H 1 1.507 0.05 . 1 . . . A 46 ALA HB3 . 19185 1 533 . 1 1 46 46 ALA C C 13 179.977 0.3 . 1 . . . A 46 ALA C . 19185 1 534 . 1 1 46 46 ALA CA C 13 54.880 0.3 . 1 . . . A 46 ALA CA . 19185 1 535 . 1 1 46 46 ALA CB C 13 18.228 0.3 . 1 . . . A 46 ALA CB . 19185 1 536 . 1 1 46 46 ALA N N 15 124.926 0.5 . 1 . . . A 46 ALA N . 19185 1 537 . 1 1 47 47 LEU H H 1 8.257 0.05 . 1 . . . A 47 LEU H . 19185 1 538 . 1 1 47 47 LEU HA H 1 4.088 0.05 . 1 . . . A 47 LEU HA . 19185 1 539 . 1 1 47 47 LEU HB2 H 1 1.911 0.05 . 2 . . . A 47 LEU HB2 . 19185 1 540 . 1 1 47 47 LEU HB3 H 1 1.911 0.05 . 2 . . . A 47 LEU HB3 . 19185 1 541 . 1 1 47 47 LEU HG H 1 1.531 0.05 . 1 . . . A 47 LEU HG . 19185 1 542 . 1 1 47 47 LEU HD11 H 1 0.857 0.05 . 2 . . . A 47 LEU HD11 . 19185 1 543 . 1 1 47 47 LEU HD12 H 1 0.857 0.05 . 2 . . . A 47 LEU HD12 . 19185 1 544 . 1 1 47 47 LEU HD13 H 1 0.857 0.05 . 2 . . . A 47 LEU HD13 . 19185 1 545 . 1 1 47 47 LEU HD21 H 1 0.857 0.05 . 2 . . . A 47 LEU HD21 . 19185 1 546 . 1 1 47 47 LEU HD22 H 1 0.857 0.05 . 2 . . . A 47 LEU HD22 . 19185 1 547 . 1 1 47 47 LEU HD23 H 1 0.857 0.05 . 2 . . . A 47 LEU HD23 . 19185 1 548 . 1 1 47 47 LEU C C 13 177.832 0.3 . 1 . . . A 47 LEU C . 19185 1 549 . 1 1 47 47 LEU CA C 13 57.388 0.3 . 1 . . . A 47 LEU CA . 19185 1 550 . 1 1 47 47 LEU CB C 13 41.812 0.3 . 1 . . . A 47 LEU CB . 19185 1 551 . 1 1 47 47 LEU N N 15 118.030 0.5 . 1 . . . A 47 LEU N . 19185 1 552 . 1 1 48 48 GLU H H 1 8.282 0.05 . 1 . . . A 48 GLU H . 19185 1 553 . 1 1 48 48 GLU HA H 1 4.053 0.05 . 1 . . . A 48 GLU HA . 19185 1 554 . 1 1 48 48 GLU HB2 H 1 2.225 0.05 . 2 . . . A 48 GLU HB2 . 19185 1 555 . 1 1 48 48 GLU HB3 H 1 2.123 0.05 . 2 . . . A 48 GLU HB3 . 19185 1 556 . 1 1 48 48 GLU HG2 H 1 2.626 0.05 . 2 . . . A 48 GLU HG2 . 19185 1 557 . 1 1 48 48 GLU HG3 H 1 2.395 0.05 . 2 . . . A 48 GLU HG3 . 19185 1 558 . 1 1 48 48 GLU C C 13 178.690 0.3 . 1 . . . A 48 GLU C . 19185 1 559 . 1 1 48 48 GLU CA C 13 58.823 0.3 . 1 . . . A 48 GLU CA . 19185 1 560 . 1 1 48 48 GLU CB C 13 28.649 0.3 . 1 . . . A 48 GLU CB . 19185 1 561 . 1 1 48 48 GLU CG C 13 34.649 0.3 . 1 . . . A 48 GLU CG . 19185 1 562 . 1 1 48 48 GLU N N 15 117.324 0.5 . 1 . . . A 48 GLU N . 19185 1 563 . 1 1 49 49 SER H H 1 8.059 0.05 . 1 . . . A 49 SER H . 19185 1 564 . 1 1 49 49 SER HA H 1 4.330 0.05 . 1 . . . A 49 SER HA . 19185 1 565 . 1 1 49 49 SER HB2 H 1 3.886 0.05 . 2 . . . A 49 SER HB2 . 19185 1 566 . 1 1 49 49 SER HB3 H 1 3.976 0.05 . 2 . . . A 49 SER HB3 . 19185 1 567 . 1 1 49 49 SER C C 13 175.283 0.3 . 1 . . . A 49 SER C . 19185 1 568 . 1 1 49 49 SER CA C 13 60.589 0.3 . 1 . . . A 49 SER CA . 19185 1 569 . 1 1 49 49 SER CB C 13 63.076 0.3 . 1 . . . A 49 SER CB . 19185 1 570 . 1 1 49 49 SER N N 15 114.057 0.5 . 1 . . . A 49 SER N . 19185 1 571 . 1 1 50 50 ALA H H 1 7.776 0.05 . 1 . . . A 50 ALA H . 19185 1 572 . 1 1 50 50 ALA HA H 1 4.150 0.05 . 1 . . . A 50 ALA HA . 19185 1 573 . 1 1 50 50 ALA HB1 H 1 1.231 0.05 . 1 . . . A 50 ALA HB1 . 19185 1 574 . 1 1 50 50 ALA HB2 H 1 1.231 0.05 . 1 . . . A 50 ALA HB2 . 19185 1 575 . 1 1 50 50 ALA HB3 H 1 1.231 0.05 . 1 . . . A 50 ALA HB3 . 19185 1 576 . 1 1 50 50 ALA C C 13 178.034 0.3 . 1 . . . A 50 ALA C . 19185 1 577 . 1 1 50 50 ALA CA C 13 53.760 0.3 . 1 . . . A 50 ALA CA . 19185 1 578 . 1 1 50 50 ALA CB C 13 18.524 0.3 . 1 . . . A 50 ALA CB . 19185 1 579 . 1 1 50 50 ALA N N 15 123.125 0.5 . 1 . . . A 50 ALA N . 19185 1 580 . 1 1 51 51 PHE H H 1 7.782 0.05 . 1 . . . A 51 PHE H . 19185 1 581 . 1 1 51 51 PHE HA H 1 4.590 0.05 . 1 . . . A 51 PHE HA . 19185 1 582 . 1 1 51 51 PHE HB2 H 1 2.946 0.05 . 2 . . . A 51 PHE HB2 . 19185 1 583 . 1 1 51 51 PHE HB3 H 1 3.314 0.05 . 2 . . . A 51 PHE HB3 . 19185 1 584 . 1 1 51 51 PHE C C 13 175.560 0.3 . 1 . . . A 51 PHE C . 19185 1 585 . 1 1 51 51 PHE CA C 13 57.941 0.3 . 1 . . . A 51 PHE CA . 19185 1 586 . 1 1 51 51 PHE CB C 13 39.306 0.3 . 1 . . . A 51 PHE CB . 19185 1 587 . 1 1 51 51 PHE N N 15 114.586 0.5 . 1 . . . A 51 PHE N . 19185 1 588 . 1 1 52 52 ALA H H 1 7.731 0.05 . 1 . . . A 52 ALA H . 19185 1 589 . 1 1 52 52 ALA HA H 1 4.333 0.05 . 1 . . . A 52 ALA HA . 19185 1 590 . 1 1 52 52 ALA HB1 H 1 1.485 0.05 . 1 . . . A 52 ALA HB1 . 19185 1 591 . 1 1 52 52 ALA HB2 H 1 1.485 0.05 . 1 . . . A 52 ALA HB2 . 19185 1 592 . 1 1 52 52 ALA HB3 H 1 1.485 0.05 . 1 . . . A 52 ALA HB3 . 19185 1 593 . 1 1 52 52 ALA C C 13 177.529 0.3 . 1 . . . A 52 ALA C . 19185 1 594 . 1 1 52 52 ALA CA C 13 52.950 0.3 . 1 . . . A 52 ALA CA . 19185 1 595 . 1 1 52 52 ALA CB C 13 19.334 0.3 . 1 . . . A 52 ALA CB . 19185 1 596 . 1 1 52 52 ALA N N 15 122.550 0.5 . 1 . . . A 52 ALA N . 19185 1 597 . 1 1 53 53 ASP H H 1 8.230 0.05 . 1 . . . A 53 ASP H . 19185 1 598 . 1 1 53 53 ASP HA H 1 4.664 0.05 . 1 . . . A 53 ASP HA . 19185 1 599 . 1 1 53 53 ASP HB2 H 1 2.836 0.05 . 2 . . . A 53 ASP HB2 . 19185 1 600 . 1 1 53 53 ASP HB3 H 1 2.759 0.05 . 2 . . . A 53 ASP HB3 . 19185 1 601 . 1 1 53 53 ASP C C 13 175.686 0.3 . 1 . . . A 53 ASP C . 19185 1 602 . 1 1 53 53 ASP CA C 13 53.861 0.3 . 1 . . . A 53 ASP CA . 19185 1 603 . 1 1 53 53 ASP CB C 13 40.118 0.3 . 1 . . . A 53 ASP CB . 19185 1 604 . 1 1 53 53 ASP N N 15 118.118 0.5 . 1 . . . A 53 ASP N . 19185 1 605 . 1 1 54 54 ASP H H 1 8.217 0.05 . 1 . . . A 54 ASP H . 19185 1 606 . 1 1 54 54 ASP HA H 1 4.664 0.05 . 1 . . . A 54 ASP HA . 19185 1 607 . 1 1 54 54 ASP HB2 H 1 2.779 0.05 . 2 . . . A 54 ASP HB2 . 19185 1 608 . 1 1 54 54 ASP HB3 H 1 2.779 0.05 . 2 . . . A 54 ASP HB3 . 19185 1 609 . 1 1 54 54 ASP CA C 13 53.861 0.3 . 1 . . . A 54 ASP CA . 19185 1 610 . 1 1 54 54 ASP CB C 13 39.888 0.3 . 1 . . . A 54 ASP CB . 19185 1 611 . 1 1 54 54 ASP N N 15 119.502 0.5 . 1 . . . A 54 ASP N . 19185 1 612 . 1 1 55 55 GLN H H 1 8.160 0.05 . 1 . . . A 55 GLN H . 19185 1 613 . 1 1 55 55 GLN HA H 1 4.323 0.05 . 1 . . . A 55 GLN HA . 19185 1 614 . 1 1 55 55 GLN HB2 H 1 1.946 0.05 . 2 . . . A 55 GLN HB2 . 19185 1 615 . 1 1 55 55 GLN HB3 H 1 2.085 0.05 . 2 . . . A 55 GLN HB3 . 19185 1 616 . 1 1 55 55 GLN HG2 H 1 2.275 0.05 . 2 . . . A 55 GLN HG2 . 19185 1 617 . 1 1 55 55 GLN HG3 H 1 2.275 0.05 . 2 . . . A 55 GLN HG3 . 19185 1 618 . 1 1 55 55 GLN HE21 H 1 7.358 0.05 . 2 . . . A 55 GLN HE21 . 19185 1 619 . 1 1 55 55 GLN C C 13 175.712 0.3 . 1 . . . A 55 GLN C . 19185 1 620 . 1 1 55 55 GLN CA C 13 55.812 0.3 . 1 . . . A 55 GLN CA . 19185 1 621 . 1 1 55 55 GLN CB C 13 29.358 0.3 . 1 . . . A 55 GLN CB . 19185 1 622 . 1 1 55 55 GLN N N 15 119.498 0.5 . 1 . . . A 55 GLN N . 19185 1 623 . 1 1 56 56 THR H H 1 7.999 0.05 . 1 . . . A 56 THR H . 19185 1 624 . 1 1 56 56 THR HA H 1 4.217 0.05 . 1 . . . A 56 THR HA . 19185 1 625 . 1 1 56 56 THR HB H 1 4.047 0.05 . 1 . . . A 56 THR HB . 19185 1 626 . 1 1 56 56 THR HG21 H 1 1.063 0.05 . 1 . . . A 56 THR HG21 . 19185 1 627 . 1 1 56 56 THR HG22 H 1 1.063 0.05 . 1 . . . A 56 THR HG22 . 19185 1 628 . 1 1 56 56 THR HG23 H 1 1.063 0.05 . 1 . . . A 56 THR HG23 . 19185 1 629 . 1 1 56 56 THR C C 13 173.642 0.3 . 1 . . . A 56 THR C . 19185 1 630 . 1 1 56 56 THR CA C 13 61.962 0.3 . 1 . . . A 56 THR CA . 19185 1 631 . 1 1 56 56 THR CB C 13 69.556 0.3 . 1 . . . A 56 THR CB . 19185 1 632 . 1 1 56 56 THR N N 15 114.937 0.5 . 1 . . . A 56 THR N . 19185 1 633 . 1 1 57 57 TYR H H 1 8.113 0.05 . 1 . . . A 57 TYR H . 19185 1 634 . 1 1 57 57 TYR HA H 1 4.837 0.05 . 1 . . . A 57 TYR HA . 19185 1 635 . 1 1 57 57 TYR HB2 H 1 2.808 0.05 . 2 . . . A 57 TYR HB2 . 19185 1 636 . 1 1 57 57 TYR HB3 H 1 3.071 0.05 . 2 . . . A 57 TYR HB3 . 19185 1 637 . 1 1 57 57 TYR CA C 13 55.439 0.3 . 1 . . . A 57 TYR CA . 19185 1 638 . 1 1 57 57 TYR CB C 13 38.268 0.3 . 1 . . . A 57 TYR CB . 19185 1 639 . 1 1 57 57 TYR N N 15 122.914 0.5 . 1 . . . A 57 TYR N . 19185 1 640 . 1 1 58 58 PRO HA H 1 4.824 0.05 . 1 . . . A 58 PRO HA . 19185 1 641 . 1 1 58 58 PRO HD2 H 1 3.799 0.05 . 2 . . . A 58 PRO HD2 . 19185 1 642 . 1 1 58 58 PRO HD3 H 1 3.589 0.05 . 2 . . . A 58 PRO HD3 . 19185 1 643 . 1 1 58 58 PRO CA C 13 62.976 0.3 . 1 . . . A 58 PRO CA . 19185 1 644 . 1 1 58 58 PRO CB C 13 30.788 0.3 . 1 . . . A 58 PRO CB . 19185 1 645 . 1 1 58 58 PRO CG C 13 27.094 0.3 . 1 . . . A 58 PRO CG . 19185 1 646 . 1 1 58 58 PRO CD C 13 50.396 0.3 . 1 . . . A 58 PRO CD . 19185 1 647 . 1 1 59 59 PRO HA H 1 4.482 0.05 . 1 . . . A 59 PRO HA . 19185 1 648 . 1 1 59 59 PRO HB2 H 1 2.316 0.05 . 2 . . . A 59 PRO HB2 . 19185 1 649 . 1 1 59 59 PRO HB3 H 1 2.316 0.05 . 2 . . . A 59 PRO HB3 . 19185 1 650 . 1 1 59 59 PRO HG2 H 1 2.043 0.05 . 2 . . . A 59 PRO HG2 . 19185 1 651 . 1 1 59 59 PRO HG3 H 1 2.043 0.05 . 2 . . . A 59 PRO HG3 . 19185 1 652 . 1 1 59 59 PRO HD2 H 1 3.797 0.05 . 2 . . . A 59 PRO HD2 . 19185 1 653 . 1 1 59 59 PRO HD3 H 1 3.650 0.05 . 2 . . . A 59 PRO HD3 . 19185 1 654 . 1 1 59 59 PRO C C 13 176.873 0.3 . 1 . . . A 59 PRO C . 19185 1 655 . 1 1 59 59 PRO CA C 13 62.911 0.3 . 1 . . . A 59 PRO CA . 19185 1 656 . 1 1 59 59 PRO CB C 13 31.991 0.3 . 1 . . . A 59 PRO CB . 19185 1 657 . 1 1 59 59 PRO CG C 13 27.339 0.3 . 1 . . . A 59 PRO CG . 19185 1 658 . 1 1 59 59 PRO CD C 13 49.783 0.3 . 1 . . . A 59 PRO CD . 19185 1 659 . 1 1 60 60 GLU H H 1 8.410 0.05 . 1 . . . A 60 GLU H . 19185 1 660 . 1 1 60 60 GLU HA H 1 4.373 0.05 . 1 . . . A 60 GLU HA . 19185 1 661 . 1 1 60 60 GLU HB2 H 1 1.991 0.05 . 2 . . . A 60 GLU HB2 . 19185 1 662 . 1 1 60 60 GLU HB3 H 1 2.154 0.05 . 2 . . . A 60 GLU HB3 . 19185 1 663 . 1 1 60 60 GLU HG2 H 1 2.432 0.05 . 2 . . . A 60 GLU HG2 . 19185 1 664 . 1 1 60 60 GLU HG3 H 1 2.302 0.05 . 2 . . . A 60 GLU HG3 . 19185 1 665 . 1 1 60 60 GLU C C 13 175.459 0.3 . 1 . . . A 60 GLU C . 19185 1 666 . 1 1 60 60 GLU CA C 13 55.988 0.3 . 1 . . . A 60 GLU CA . 19185 1 667 . 1 1 60 60 GLU CB C 13 29.662 0.3 . 1 . . . A 60 GLU CB . 19185 1 668 . 1 1 60 60 GLU N N 15 120.610 0.5 . 1 . . . A 60 GLU N . 19185 1 669 . 1 1 61 61 SER H H 1 7.935 0.05 . 1 . . . A 61 SER H . 19185 1 670 . 1 1 61 61 SER HA H 1 4.283 0.05 . 1 . . . A 61 SER HA . 19185 1 671 . 1 1 61 61 SER HB2 H 1 3.851 0.05 . 2 . . . A 61 SER HB2 . 19185 1 672 . 1 1 61 61 SER HB3 H 1 3.851 0.05 . 2 . . . A 61 SER HB3 . 19185 1 673 . 1 1 61 61 SER CA C 13 59.532 0.3 . 1 . . . A 61 SER CA . 19185 1 674 . 1 1 61 61 SER CB C 13 64.594 0.3 . 1 . . . A 61 SER CB . 19185 1 675 . 1 1 61 61 SER N N 15 121.573 0.5 . 1 . . . A 61 SER N . 19185 1 stop_ save_