data_15406 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15406 _Entry.Title ; Solution structure of E.coli PapI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-26 _Entry.Accession_date 2007-07-26 _Entry.Last_release_date 2008-06-26 _Entry.Original_release_date 2008-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.53 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Kawamura T. . . 15406 2 H. Zhou H. . . 15406 3 L. Le L. U.K. . 15406 4 F. Dahlquist F. W. . 15406 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'pap pili' . 15406 'winged helix-turn-helix' . 15406 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15406 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 15406 '15N chemical shifts' 76 15406 '1H chemical shifts' 519 15406 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 . . 2008-06-26 2007-07-26 original author . 15406 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15406 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17109885 _Citation.Full_citation . _Citation.Title 'Solution structure of E.coli PapI, a key regulator of the pap pili phase variation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 365 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1130 _Citation.Page_last 1142 _Citation.Year 2007 _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 T. Kawamura T. . . 15406 1 2 L. Le L. U.K. . 15406 1 3 H. Zhou H. . . 15406 1 4 F. Dahlquist F. W. . 15406 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15406 _Assembly.ID 1 _Assembly.Name PapI _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 'PapI monomer' 1 $P_fimbrial_regulatory_protein_KS71A A . yes native no no . . . 15406 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P_fimbrial_regulatory_protein_KS71A _Entity.Sf_category entity _Entity.Sf_framecode P_fimbrial_regulatory_protein_KS71A _Entity.Entry_ID 15406 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P_fimbrial_regulatory_protein_KS71A _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 ; MKNEILEFLNRHNGGKTAEI AEALAVTDYQARYYLLLLEK AGMVQRSPLRRGMATYWFLK GEKQAGQSCSSTTLEHHHHH H ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2HTJ . "Nmr Structure Of E.Coli Papi" . . . . . 100.00 81 100.00 100.00 4.72e-52 . . . . 15406 1 2 no EMBL CAA32630 . "Pap(17)I 10kDa protein [Escherichia coli]" . . . . . 90.12 77 98.63 100.00 3.04e-45 . . . . 15406 1 3 no EMBL CAA32633 . "Pap(21)I 10kDa protein [Escherichia coli]" . . . . . 90.12 77 100.00 100.00 7.15e-46 . . . . 15406 1 4 no EMBL CAR04501 . "pap operon regulatory protein PapI [Escherichia coli S88]" . . . . . 90.12 77 97.26 98.63 2.51e-44 . . . . 15406 1 5 no EMBL CAR14504 . "pap operon regulatory protein PapI [Escherichia coli UMN026]" . . . . . 90.12 77 98.63 100.00 3.04e-45 . . . . 15406 1 6 no EMBL CAR20684 . "pap operon regulatory protein PapI [Escherichia coli IAI39]" . . . . . 90.12 77 97.26 98.63 2.51e-44 . . . . 15406 1 7 no GB AAA24048 . "fimbrial regulatory protein [Escherichia coli]" . . . . . 90.12 77 100.00 100.00 7.15e-46 . . . . 15406 1 8 no GB AAA92572 . "fimbrial regulatory protein [Escherichia coli]" . . . . . 90.12 77 100.00 100.00 7.15e-46 . . . . 15406 1 9 no GB AAC95391 . "fimbrial regulatory protein FooI [Escherichia coli]" . . . . . 90.12 77 100.00 100.00 7.15e-46 . . . . 15406 1 10 no GB AAL67419 . "PapI [Escherichia coli]" . . . . . 90.12 77 100.00 100.00 7.15e-46 . . . . 15406 1 11 no GB AAN82041 . "PapI protein [Escherichia coli CFT073]" . . . . . 90.12 77 98.63 100.00 3.04e-45 . . . . 15406 1 12 no REF WP_000006206 . "Major pilus subunit operon regulatory protein [Escherichia coli]" . . . . . 90.12 77 98.63 100.00 3.04e-45 . . . . 15406 1 13 no REF WP_000006207 . "MULTISPECIES: Major pilus subunit operon regulatory protein [Bacteria]" . . . . . 90.12 77 97.26 98.63 2.51e-44 . . . . 15406 1 14 no REF WP_000006208 . "P fimbrial regulatory protein KS71A [Escherichia coli]" . . . . . 90.12 77 100.00 100.00 7.15e-46 . . . . 15406 1 15 no REF WP_020232424 . "Major pilus subunit operon regulatory protein [Escherichia coli]" . . . . . 90.12 77 97.26 97.26 4.32e-44 . . . . 15406 1 16 no REF WP_032199237 . "pilus assembly protein, partial [Escherichia coli]" . . . . . 70.37 61 98.25 100.00 2.08e-32 . . . . 15406 1 17 no SP P62584 . "RecName: Full=P fimbrial regulatory protein KS71A" . . . . . 90.12 77 100.00 100.00 7.15e-46 . . . . 15406 1 18 no SP P62585 . "RecName: Full=P fimbrial regulatory protein KS71A" . . . . . 90.12 77 100.00 100.00 7.15e-46 . . . . 15406 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Activator SWS-KEYWORD 15406 1 Fimbria SWS-KEYWORD 15406 1 'P fimbrial regulatory protein KS71A' RCSB_NAME 15406 1 Transcription SWS-KEYWORD 15406 1 'Transcription regulation' SWS-KEYWORD 15406 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 . MET . 15406 1 2 . LYS . 15406 1 3 . ASN . 15406 1 4 . GLU . 15406 1 5 . ILE . 15406 1 6 . LEU . 15406 1 7 . GLU . 15406 1 8 . PHE . 15406 1 9 . LEU . 15406 1 10 . ASN . 15406 1 11 . ARG . 15406 1 12 . HIS . 15406 1 13 . ASN . 15406 1 14 . GLY . 15406 1 15 . GLY . 15406 1 16 . LYS . 15406 1 17 . THR . 15406 1 18 . ALA . 15406 1 19 . GLU . 15406 1 20 . ILE . 15406 1 21 . ALA . 15406 1 22 . GLU . 15406 1 23 . ALA . 15406 1 24 . LEU . 15406 1 25 . ALA . 15406 1 26 . VAL . 15406 1 27 . THR . 15406 1 28 . ASP . 15406 1 29 . TYR . 15406 1 30 . GLN . 15406 1 31 . ALA . 15406 1 32 . ARG . 15406 1 33 . TYR . 15406 1 34 . TYR . 15406 1 35 . LEU . 15406 1 36 . LEU . 15406 1 37 . LEU . 15406 1 38 . LEU . 15406 1 39 . GLU . 15406 1 40 . LYS . 15406 1 41 . ALA . 15406 1 42 . GLY . 15406 1 43 . MET . 15406 1 44 . VAL . 15406 1 45 . GLN . 15406 1 46 . ARG . 15406 1 47 . SER . 15406 1 48 . PRO . 15406 1 49 . LEU . 15406 1 50 . ARG . 15406 1 51 . ARG . 15406 1 52 . GLY . 15406 1 53 . MET . 15406 1 54 . ALA . 15406 1 55 . THR . 15406 1 56 . TYR . 15406 1 57 . TRP . 15406 1 58 . PHE . 15406 1 59 . LEU . 15406 1 60 . LYS . 15406 1 61 . GLY . 15406 1 62 . GLU . 15406 1 63 . LYS . 15406 1 64 . GLN . 15406 1 65 . ALA . 15406 1 66 . GLY . 15406 1 67 . GLN . 15406 1 68 . SER . 15406 1 69 . CYS . 15406 1 70 . SER . 15406 1 71 . SER . 15406 1 72 . THR . 15406 1 73 . THR . 15406 1 74 . LEU . 15406 1 75 . GLU . 15406 1 76 . HIS . 15406 1 77 . HIS . 15406 1 78 . HIS . 15406 1 79 . HIS . 15406 1 80 . HIS . 15406 1 81 . HIS . 15406 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 . MET 1 1 15406 1 . LYS 2 2 15406 1 . ASN 3 3 15406 1 . GLU 4 4 15406 1 . ILE 5 5 15406 1 . LEU 6 6 15406 1 . GLU 7 7 15406 1 . PHE 8 8 15406 1 . LEU 9 9 15406 1 . ASN 10 10 15406 1 . ARG 11 11 15406 1 . HIS 12 12 15406 1 . ASN 13 13 15406 1 . GLY 14 14 15406 1 . GLY 15 15 15406 1 . LYS 16 16 15406 1 . THR 17 17 15406 1 . ALA 18 18 15406 1 . GLU 19 19 15406 1 . ILE 20 20 15406 1 . ALA 21 21 15406 1 . GLU 22 22 15406 1 . ALA 23 23 15406 1 . LEU 24 24 15406 1 . ALA 25 25 15406 1 . VAL 26 26 15406 1 . THR 27 27 15406 1 . ASP 28 28 15406 1 . TYR 29 29 15406 1 . GLN 30 30 15406 1 . ALA 31 31 15406 1 . ARG 32 32 15406 1 . TYR 33 33 15406 1 . TYR 34 34 15406 1 . LEU 35 35 15406 1 . LEU 36 36 15406 1 . LEU 37 37 15406 1 . LEU 38 38 15406 1 . GLU 39 39 15406 1 . LYS 40 40 15406 1 . ALA 41 41 15406 1 . GLY 42 42 15406 1 . MET 43 43 15406 1 . VAL 44 44 15406 1 . GLN 45 45 15406 1 . ARG 46 46 15406 1 . SER 47 47 15406 1 . PRO 48 48 15406 1 . LEU 49 49 15406 1 . ARG 50 50 15406 1 . ARG 51 51 15406 1 . GLY 52 52 15406 1 . MET 53 53 15406 1 . ALA 54 54 15406 1 . THR 55 55 15406 1 . TYR 56 56 15406 1 . TRP 57 57 15406 1 . PHE 58 58 15406 1 . LEU 59 59 15406 1 . LYS 60 60 15406 1 . GLY 61 61 15406 1 . GLU 62 62 15406 1 . LYS 63 63 15406 1 . GLN 64 64 15406 1 . ALA 65 65 15406 1 . GLY 66 66 15406 1 . GLN 67 67 15406 1 . SER 68 68 15406 1 . CYS 69 69 15406 1 . SER 70 70 15406 1 . SER 71 71 15406 1 . THR 72 72 15406 1 . THR 73 73 15406 1 . LEU 74 74 15406 1 . GLU 75 75 15406 1 . HIS 76 76 15406 1 . HIS 77 77 15406 1 . HIS 78 78 15406 1 . HIS 79 79 15406 1 . HIS 80 80 15406 1 . HIS 81 81 15406 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 15406 _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 $P_fimbrial_regulatory_protein_KS71A . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15406 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 15406 _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 $P_fimbrial_regulatory_protein_KS71A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . IP . pET28b(+) . . . . . . 15406 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15406 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM potassium phosphate pH6.0, 150mM potassium chloride, 5mM b-mercaptoethanol, 100uM EDTA, 8% D2O, 0.02% sodium azide' _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 'P fimbrial regulatory protein KS71A' '[U-99% 13C; U-99% 15N]' . . 1 $P_fimbrial_regulatory_protein_KS71A . . 400 . . uM . . . . 15406 1 2 'potassium phosphate' none . . . . . . 50 . . mM . . . . 15406 1 3 'potassium chloride' none . . . . . . 150 . . mM . . . . 15406 1 4 beta-mercaptoethanol none . . . . . . 5 . . mM . . . . 15406 1 5 EDTA none . . . . . . 100 . . uM . . . . 15406 1 6 D2O '[U-99% 2H]' . . . . . . 8 . . %v/v . . . . 15406 1 7 'sodium azide' none . . . . . . 0.02 . . %w/v . . . . 15406 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15406 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM potassium phosphate pD6.0, 150mM potassium chloride, 2mM DTT, D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system 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 'P fimbrial regulatory protein KS71A' '[U-99% 13C; U-99% 15N]' . . 1 $P_fimbrial_regulatory_protein_KS71A . . 400 . . uM . . . . 15406 2 2 'potassium phosphate' none . . . . . . 50 . . mM . . . . 15406 2 3 'potassium chloride' none . . . . . . 150 . . mM . . . . 15406 2 4 DTT none . . . . . . 2 . . mM . . . . 15406 2 5 D2O '[U-99% 2H]' . . . . . . 99 . . % . . . . 15406 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15406 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400uM PapI in 50mM potassium phosphate pH 6.0, 150mM potassium chloride, 100uM EDTA, 5mM Bme, D2O, azide ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'P fimbrial regulatory protein KS71A' '[U-99% 15N]' . . 1 $P_fimbrial_regulatory_protein_KS71A . . 400 . . uM . . . . 15406 3 2 'potassium phosphate' none . . . . . . 50 . . mM . . . . 15406 3 3 'potassium chloride' none . . . . . . 150 . . mM . . . . 15406 3 4 EDTA none . . . . . . 100 . . uM . . . . 15406 3 5 beta-mercaptoethanol none . . . . . . 5 . . mM . . . . 15406 3 6 D2O none . . . . . . 8 . . %v/v . . . . 15406 3 7 'sodium azide' none . . . . . . 0.02 . . %w/v . . . . 15406 3 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 15406 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 15406 1 pH 6.0 . pH 15406 1 pressure 1 . atm 15406 1 temperature 298 . K 15406 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 15406 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 15406 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15406 1 stop_ save_ save_ansig4opengl _Software.Sf_category software _Software.Sf_framecode ansig4opengl _Software.Entry_ID 15406 _Software.ID 2 _Software.Name ansig4opengl _Software.Version 1.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Per Kraulis' . . 15406 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15406 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15406 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' . . 15406 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15406 3 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 15406 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15406 _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 INOVA . 600 . . . 15406 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 15406 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 2 4D_13C-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 3 4D_13C/15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 4 HNHA no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 5 3D_15N-separated_NOESY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 1 10 '3D CCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15406 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 15406 _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 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 15406 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 15406 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 15406 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 15406 _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' . . . 15406 1 2 '3D CCC-TOCSY' . . . 15406 1 3 '3D HCCH-TOCSY' . . . 15406 1 4 4D_13C/15N-separated_NOESY . . . 15406 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 LYS HA H 1 3.712 0.02 . 1 . . . . 2 LYS HA . 15406 1 2 . 1 1 2 2 LYS HB2 H 1 1.786 0.02 . 2 . . . . 2 LYS HB2 . 15406 1 3 . 1 1 2 2 LYS HB3 H 1 1.924 0.02 . 2 . . . . 2 LYS HB3 . 15406 1 4 . 1 1 2 2 LYS HD2 H 1 1.765 0.02 . 2 . . . . 2 LYS HD2 . 15406 1 5 . 1 1 2 2 LYS HD3 H 1 1.765 0.02 . 2 . . . . 2 LYS HD3 . 15406 1 6 . 1 1 2 2 LYS HE2 H 1 2.946 0.02 . 2 . . . . 2 LYS HE2 . 15406 1 7 . 1 1 2 2 LYS HE3 H 1 3.011 0.02 . 2 . . . . 2 LYS HE3 . 15406 1 8 . 1 1 2 2 LYS HG2 H 1 1.304 0.02 . 2 . . . . 2 LYS HG2 . 15406 1 9 . 1 1 2 2 LYS HG3 H 1 1.642 0.02 . 2 . . . . 2 LYS HG3 . 15406 1 10 . 1 1 2 2 LYS C C 13 177.26 0.1 . 1 . . . . 2 LYS C . 15406 1 11 . 1 1 2 2 LYS CA C 13 60.59 0.1 . 1 . . . . 2 LYS CA . 15406 1 12 . 1 1 2 2 LYS CB C 13 32.69 0.118 . 1 . . . . 2 LYS CB . 15406 1 13 . 1 1 2 2 LYS CD C 13 29.55 0.1 . 1 . . . . 2 LYS CD . 15406 1 14 . 1 1 2 2 LYS CE C 13 41.86 0.1 . 1 . . . . 2 LYS CE . 15406 1 15 . 1 1 2 2 LYS CG C 13 26.03 0.162 . 1 . . . . 2 LYS CG . 15406 1 16 . 1 1 3 3 ASN H H 1 8.868 0.02 . 1 . . . . 3 ASN H . 15406 1 17 . 1 1 3 3 ASN HA H 1 4.353 0.02 . 1 . . . . 3 ASN HA . 15406 1 18 . 1 1 3 3 ASN HB2 H 1 2.710 0.02 . 2 . . . . 3 ASN HB2 . 15406 1 19 . 1 1 3 3 ASN HB3 H 1 2.710 0.02 . 2 . . . . 3 ASN HB3 . 15406 1 20 . 1 1 3 3 ASN C C 13 177.65 0.1 . 1 . . . . 3 ASN C . 15406 1 21 . 1 1 3 3 ASN CA C 13 56.14 0.122 . 1 . . . . 3 ASN CA . 15406 1 22 . 1 1 3 3 ASN CB C 13 37.66 0.1 . 1 . . . . 3 ASN CB . 15406 1 23 . 1 1 3 3 ASN N N 15 117.06 0.1 . 1 . . . . 3 ASN N . 15406 1 24 . 1 1 4 4 GLU H H 1 9.411 0.02 . 1 . . . . 4 GLU H . 15406 1 25 . 1 1 4 4 GLU HA H 1 4.011 0.02 . 1 . . . . 4 GLU HA . 15406 1 26 . 1 1 4 4 GLU HB2 H 1 1.887 0.02 . 2 . . . . 4 GLU HB2 . 15406 1 27 . 1 1 4 4 GLU HB3 H 1 2.105 0.02 . 2 . . . . 4 GLU HB3 . 15406 1 28 . 1 1 4 4 GLU HG2 H 1 2.282 0.02 . 2 . . . . 4 GLU HG2 . 15406 1 29 . 1 1 4 4 GLU HG3 H 1 2.557 0.02 . 2 . . . . 4 GLU HG3 . 15406 1 30 . 1 1 4 4 GLU C C 13 180.05 0.1 . 1 . . . . 4 GLU C . 15406 1 31 . 1 1 4 4 GLU CA C 13 60.74 0.1 . 1 . . . . 4 GLU CA . 15406 1 32 . 1 1 4 4 GLU CB C 13 28.65 0.119 . 1 . . . . 4 GLU CB . 15406 1 33 . 1 1 4 4 GLU CG C 13 37.55 0.145 . 1 . . . . 4 GLU CG . 15406 1 34 . 1 1 4 4 GLU N N 15 122.16 0.1 . 1 . . . . 4 GLU N . 15406 1 35 . 1 1 5 5 ILE H H 1 7.992 0.02 . 1 . . . . 5 ILE H . 15406 1 36 . 1 1 5 5 ILE HA H 1 3.464 0.02 . 1 . . . . 5 ILE HA . 15406 1 37 . 1 1 5 5 ILE HB H 1 1.780 0.02 . 1 . . . . 5 ILE HB . 15406 1 38 . 1 1 5 5 ILE HD11 H 1 0.610 0.02 . 2 . . . . 5 ILE HD1 . 15406 1 39 . 1 1 5 5 ILE HD12 H 1 0.610 0.02 . 2 . . . . 5 ILE HD1 . 15406 1 40 . 1 1 5 5 ILE HD13 H 1 0.610 0.02 . 2 . . . . 5 ILE HD1 . 15406 1 41 . 1 1 5 5 ILE HG12 H 1 0.513 0.02 . 2 . . . . 5 ILE HG11 . 15406 1 42 . 1 1 5 5 ILE HG13 H 1 1.783 0.02 . 2 . . . . 5 ILE HG12 . 15406 1 43 . 1 1 5 5 ILE HG21 H 1 0.605 0.02 . 2 . . . . 5 ILE HG2 . 15406 1 44 . 1 1 5 5 ILE HG22 H 1 0.605 0.02 . 2 . . . . 5 ILE HG2 . 15406 1 45 . 1 1 5 5 ILE HG23 H 1 0.605 0.02 . 2 . . . . 5 ILE HG2 . 15406 1 46 . 1 1 5 5 ILE C C 13 177.26 0.1 . 1 . . . . 5 ILE C . 15406 1 47 . 1 1 5 5 ILE CA C 13 66.06 0.115 . 1 . . . . 5 ILE CA . 15406 1 48 . 1 1 5 5 ILE CB C 13 37.64 0.1 . 1 . . . . 5 ILE CB . 15406 1 49 . 1 1 5 5 ILE CD1 C 13 14.82 0.157 . 1 . . . . 5 ILE CD1 . 15406 1 50 . 1 1 5 5 ILE CG1 C 13 30.62 0.120 . 1 . . . . 5 ILE CG1 . 15406 1 51 . 1 1 5 5 ILE CG2 C 13 18.01 0.123 . 1 . . . . 5 ILE CG2 . 15406 1 52 . 1 1 5 5 ILE N N 15 121.53 0.1 . 1 . . . . 5 ILE N . 15406 1 53 . 1 1 6 6 LEU H H 1 7.948 0.02 . 1 . . . . 6 LEU H . 15406 1 54 . 1 1 6 6 LEU HA H 1 3.929 0.02 . 1 . . . . 6 LEU HA . 15406 1 55 . 1 1 6 6 LEU HB2 H 1 1.498 0.02 . 2 . . . . 6 LEU HB2 . 15406 1 56 . 1 1 6 6 LEU HB3 H 1 1.975 0.02 . 2 . . . . 6 LEU HB3 . 15406 1 57 . 1 1 6 6 LEU HD11 H 1 0.783 0.02 . 2 . . . . 6 LEU HD1 . 15406 1 58 . 1 1 6 6 LEU HD12 H 1 0.783 0.02 . 2 . . . . 6 LEU HD1 . 15406 1 59 . 1 1 6 6 LEU HD13 H 1 0.783 0.02 . 2 . . . . 6 LEU HD1 . 15406 1 60 . 1 1 6 6 LEU HD21 H 1 0.921 0.02 . 2 . . . . 6 LEU HD2 . 15406 1 61 . 1 1 6 6 LEU HD22 H 1 0.921 0.02 . 2 . . . . 6 LEU HD2 . 15406 1 62 . 1 1 6 6 LEU HD23 H 1 0.921 0.02 . 2 . . . . 6 LEU HD2 . 15406 1 63 . 1 1 6 6 LEU HG H 1 1.853 0.02 . 1 . . . . 6 LEU HG . 15406 1 64 . 1 1 6 6 LEU C C 13 179.64 0.1 . 1 . . . . 6 LEU C . 15406 1 65 . 1 1 6 6 LEU CA C 13 58.46 0.101 . 1 . . . . 6 LEU CA . 15406 1 66 . 1 1 6 6 LEU CB C 13 40.64 0.118 . 1 . . . . 6 LEU CB . 15406 1 67 . 1 1 6 6 LEU CD1 C 13 23.35 0.115 . 1 . . . . 6 LEU CD1 . 15406 1 68 . 1 1 6 6 LEU CD2 C 13 25.64 0.1 . 1 . . . . 6 LEU CD2 . 15406 1 69 . 1 1 6 6 LEU CG C 13 26.73 0.1 . 1 . . . . 6 LEU CG . 15406 1 70 . 1 1 6 6 LEU N N 15 119.35 0.1 . 1 . . . . 6 LEU N . 15406 1 71 . 1 1 7 7 GLU H H 1 8.348 0.02 . 1 . . . . 7 GLU H . 15406 1 72 . 1 1 7 7 GLU HA H 1 4.154 0.02 . 1 . . . . 7 GLU HA . 15406 1 73 . 1 1 7 7 GLU HB2 H 1 2.113 0.02 . 2 . . . . 7 GLU HB2 . 15406 1 74 . 1 1 7 7 GLU HB3 H 1 2.113 0.02 . 2 . . . . 7 GLU HB3 . 15406 1 75 . 1 1 7 7 GLU HG2 H 1 2.328 0.02 . 2 . . . . 7 GLU HG2 . 15406 1 76 . 1 1 7 7 GLU HG3 H 1 2.384 0.02 . 2 . . . . 7 GLU HG3 . 15406 1 77 . 1 1 7 7 GLU C C 13 178.95 0.1 . 1 . . . . 7 GLU C . 15406 1 78 . 1 1 7 7 GLU CA C 13 59.55 0.112 . 1 . . . . 7 GLU CA . 15406 1 79 . 1 1 7 7 GLU CB C 13 29.28 0.1 . 1 . . . . 7 GLU CB . 15406 1 80 . 1 1 7 7 GLU CG C 13 36.11 0.1 . 1 . . . . 7 GLU CG . 15406 1 81 . 1 1 7 7 GLU N N 15 119.39 0.1 . 1 . . . . 7 GLU N . 15406 1 82 . 1 1 8 8 PHE H H 1 7.941 0.02 . 1 . . . . 8 PHE H . 15406 1 83 . 1 1 8 8 PHE HA H 1 4.167 0.02 . 1 . . . . 8 PHE HA . 15406 1 84 . 1 1 8 8 PHE HB2 H 1 3.168 0.02 . 2 . . . . 8 PHE HB2 . 15406 1 85 . 1 1 8 8 PHE HB3 H 1 3.337 0.02 . 2 . . . . 8 PHE HB3 . 15406 1 86 . 1 1 8 8 PHE HD1 H 1 6.989 0.02 . 2 . . . . 8 PHE HD1 . 15406 1 87 . 1 1 8 8 PHE HD2 H 1 6.989 0.02 . 2 . . . . 8 PHE HD2 . 15406 1 88 . 1 1 8 8 PHE HE1 H 1 6.920 0.02 . 2 . . . . 8 PHE HE1 . 15406 1 89 . 1 1 8 8 PHE HE2 H 1 6.920 0.02 . 2 . . . . 8 PHE HE2 . 15406 1 90 . 1 1 8 8 PHE HZ H 1 6.722 0.02 . 1 . . . . 8 PHE HZ . 15406 1 91 . 1 1 8 8 PHE C C 13 179.06 0.1 . 1 . . . . 8 PHE C . 15406 1 92 . 1 1 8 8 PHE CA C 13 62.63 0.1 . 1 . . . . 8 PHE CA . 15406 1 93 . 1 1 8 8 PHE CB C 13 38.73 0.128 . 1 . . . . 8 PHE CB . 15406 1 94 . 1 1 8 8 PHE CD1 C 13 131.24 0.120 . 2 . . . . 8 PHE CD1 . 15406 1 95 . 1 1 8 8 PHE CD2 C 13 131.24 0.120 . 2 . . . . 8 PHE CD2 . 15406 1 96 . 1 1 8 8 PHE CE1 C 13 131.52 0.1 . 2 . . . . 8 PHE CE1 . 15406 1 97 . 1 1 8 8 PHE CE2 C 13 131.52 0.1 . 2 . . . . 8 PHE CE2 . 15406 1 98 . 1 1 8 8 PHE CZ C 13 129.41 0.1 . 1 . . . . 8 PHE CZ . 15406 1 99 . 1 1 8 8 PHE N N 15 120.69 0.1 . 1 . . . . 8 PHE N . 15406 1 100 . 1 1 9 9 LEU H H 1 8.585 0.02 . 1 . . . . 9 LEU H . 15406 1 101 . 1 1 9 9 LEU HA H 1 4.147 0.02 . 1 . . . . 9 LEU HA . 15406 1 102 . 1 1 9 9 LEU HB2 H 1 1.623 0.02 . 2 . . . . 9 LEU HB2 . 15406 1 103 . 1 1 9 9 LEU HB3 H 1 2.040 0.02 . 2 . . . . 9 LEU HB3 . 15406 1 104 . 1 1 9 9 LEU HD11 H 1 0.717 0.02 . 2 . . . . 9 LEU HD1 . 15406 1 105 . 1 1 9 9 LEU HD12 H 1 0.717 0.02 . 2 . . . . 9 LEU HD1 . 15406 1 106 . 1 1 9 9 LEU HD13 H 1 0.717 0.02 . 2 . . . . 9 LEU HD1 . 15406 1 107 . 1 1 9 9 LEU HD21 H 1 0.963 0.02 . 2 . . . . 9 LEU HD2 . 15406 1 108 . 1 1 9 9 LEU HD22 H 1 0.963 0.02 . 2 . . . . 9 LEU HD2 . 15406 1 109 . 1 1 9 9 LEU HD23 H 1 0.963 0.02 . 2 . . . . 9 LEU HD2 . 15406 1 110 . 1 1 9 9 LEU HG H 1 2.045 0.02 . 1 . . . . 9 LEU HG . 15406 1 111 . 1 1 9 9 LEU C C 13 177.80 0.1 . 1 . . . . 9 LEU C . 15406 1 112 . 1 1 9 9 LEU CA C 13 57.07 0.115 . 1 . . . . 9 LEU CA . 15406 1 113 . 1 1 9 9 LEU CB C 13 41.90 0.1 . 1 . . . . 9 LEU CB . 15406 1 114 . 1 1 9 9 LEU CD1 C 13 27.26 0.150 . 1 . . . . 9 LEU CD1 . 15406 1 115 . 1 1 9 9 LEU CD2 C 13 22.56 0.127 . 1 . . . . 9 LEU CD2 . 15406 1 116 . 1 1 9 9 LEU CG C 13 26.90 0.152 . 1 . . . . 9 LEU CG . 15406 1 117 . 1 1 9 9 LEU N N 15 118.61 0.1 . 1 . . . . 9 LEU N . 15406 1 118 . 1 1 10 10 ASN H H 1 8.128 0.02 . 1 . . . . 10 ASN H . 15406 1 119 . 1 1 10 10 ASN HA H 1 4.625 0.02 . 1 . . . . 10 ASN HA . 15406 1 120 . 1 1 10 10 ASN HB2 H 1 2.876 0.02 . 2 . . . . 10 ASN HB2 . 15406 1 121 . 1 1 10 10 ASN HB3 H 1 2.955 0.02 . 2 . . . . 10 ASN HB3 . 15406 1 122 . 1 1 10 10 ASN C C 13 176.65 0.1 . 1 . . . . 10 ASN C . 15406 1 123 . 1 1 10 10 ASN CA C 13 55.53 0.107 . 1 . . . . 10 ASN CA . 15406 1 124 . 1 1 10 10 ASN CB C 13 39.98 0.122 . 1 . . . . 10 ASN CB . 15406 1 125 . 1 1 10 10 ASN N N 15 117.33 0.106 . 1 . . . . 10 ASN N . 15406 1 126 . 1 1 11 11 ARG H H 1 7.683 0.02 . 1 . . . . 11 ARG H . 15406 1 127 . 1 1 11 11 ARG HA H 1 4.189 0.02 . 1 . . . . 11 ARG HA . 15406 1 128 . 1 1 11 11 ARG HB2 H 1 1.626 0.02 . 2 . . . . 11 ARG HB2 . 15406 1 129 . 1 1 11 11 ARG HB3 H 1 1.626 0.02 . 2 . . . . 11 ARG HB3 . 15406 1 130 . 1 1 11 11 ARG HD2 H 1 3.131 0.02 . 2 . . . . 11 ARG HD2 . 15406 1 131 . 1 1 11 11 ARG HD3 H 1 3.131 0.02 . 2 . . . . 11 ARG HD3 . 15406 1 132 . 1 1 11 11 ARG HG2 H 1 1.538 0.02 . 2 . . . . 11 ARG HG2 . 15406 1 133 . 1 1 11 11 ARG HG3 H 1 1.614 0.02 . 2 . . . . 11 ARG HG3 . 15406 1 134 . 1 1 11 11 ARG C C 13 175.94 0.1 . 1 . . . . 11 ARG C . 15406 1 135 . 1 1 11 11 ARG CA C 13 56.90 0.101 . 1 . . . . 11 ARG CA . 15406 1 136 . 1 1 11 11 ARG CB C 13 31.04 0.111 . 1 . . . . 11 ARG CB . 15406 1 137 . 1 1 11 11 ARG CD C 13 43.13 0.1 . 1 . . . . 11 ARG CD . 15406 1 138 . 1 1 11 11 ARG CG C 13 27.41 0.102 . 1 . . . . 11 ARG CG . 15406 1 139 . 1 1 11 11 ARG N N 15 116.75 0.1 . 1 . . . . 11 ARG N . 15406 1 140 . 1 1 12 12 HIS H H 1 7.811 0.02 . 1 . . . . 12 HIS H . 15406 1 141 . 1 1 12 12 HIS HA H 1 4.583 0.02 . 1 . . . . 12 HIS HA . 15406 1 142 . 1 1 12 12 HIS HB2 H 1 2.309 0.02 . 2 . . . . 12 HIS HB2 . 15406 1 143 . 1 1 12 12 HIS HB3 H 1 3.186 0.02 . 2 . . . . 12 HIS HB3 . 15406 1 144 . 1 1 12 12 HIS C C 13 173.33 0.1 . 1 . . . . 12 HIS C . 15406 1 145 . 1 1 12 12 HIS CA C 13 54.97 0.112 . 1 . . . . 12 HIS CA . 15406 1 146 . 1 1 12 12 HIS CB C 13 30.12 0.1 . 1 . . . . 12 HIS CB . 15406 1 147 . 1 1 12 12 HIS N N 15 116.19 0.1 . 1 . . . . 12 HIS N . 15406 1 148 . 1 1 13 13 ASN H H 1 8.337 0.02 . 1 . . . . 13 ASN H . 15406 1 149 . 1 1 13 13 ASN HA H 1 4.681 0.02 . 1 . . . . 13 ASN HA . 15406 1 150 . 1 1 13 13 ASN HB2 H 1 2.740 0.02 . 2 . . . . 13 ASN HB2 . 15406 1 151 . 1 1 13 13 ASN HB3 H 1 2.972 0.02 . 2 . . . . 13 ASN HB3 . 15406 1 152 . 1 1 13 13 ASN C C 13 176.55 0.1 . 1 . . . . 13 ASN C . 15406 1 153 . 1 1 13 13 ASN CA C 13 55.42 0.1 . 1 . . . . 13 ASN CA . 15406 1 154 . 1 1 13 13 ASN CB C 13 39.69 0.1 . 1 . . . . 13 ASN CB . 15406 1 155 . 1 1 13 13 ASN N N 15 120.66 0.1 . 1 . . . . 13 ASN N . 15406 1 156 . 1 1 14 14 GLY H H 1 8.130 0.02 . 1 . . . . 14 GLY H . 15406 1 157 . 1 1 14 14 GLY HA2 H 1 4.018 0.02 . 2 . . . . 14 GLY HA2 . 15406 1 158 . 1 1 14 14 GLY HA3 H 1 4.213 0.02 . 2 . . . . 14 GLY HA3 . 15406 1 159 . 1 1 14 14 GLY C C 13 173.06 0.1 . 1 . . . . 14 GLY C . 15406 1 160 . 1 1 14 14 GLY CA C 13 45.49 0.1 . 1 . . . . 14 GLY CA . 15406 1 161 . 1 1 14 14 GLY N N 15 127.42 0.1 . 1 . . . . 14 GLY N . 15406 1 162 . 1 1 15 15 GLY H H 1 8.261 0.02 . 1 . . . . 15 GLY H . 15406 1 163 . 1 1 15 15 GLY HA2 H 1 3.732 0.02 . 2 . . . . 15 GLY HA2 . 15406 1 164 . 1 1 15 15 GLY HA3 H 1 4.574 0.02 . 2 . . . . 15 GLY HA3 . 15406 1 165 . 1 1 15 15 GLY C C 13 172.21 0.1 . 1 . . . . 15 GLY C . 15406 1 166 . 1 1 15 15 GLY CA C 13 45.99 0.1 . 1 . . . . 15 GLY CA . 15406 1 167 . 1 1 15 15 GLY N N 15 122.52 0.1 . 1 . . . . 15 GLY N . 15406 1 168 . 1 1 16 16 LYS H H 1 9.110 0.02 . 1 . . . . 16 LYS H . 15406 1 169 . 1 1 16 16 LYS HA H 1 5.319 0.02 . 1 . . . . 16 LYS HA . 15406 1 170 . 1 1 16 16 LYS HB2 H 1 1.654 0.02 . 2 . . . . 16 LYS HB2 . 15406 1 171 . 1 1 16 16 LYS HB3 H 1 2.120 0.02 . 2 . . . . 16 LYS HB3 . 15406 1 172 . 1 1 16 16 LYS HD2 H 1 1.658 0.02 . 2 . . . . 16 LYS HD2 . 15406 1 173 . 1 1 16 16 LYS HD3 H 1 1.748 0.02 . 2 . . . . 16 LYS HD3 . 15406 1 174 . 1 1 16 16 LYS HE2 H 1 3.014 0.02 . 2 . . . . 16 LYS HE2 . 15406 1 175 . 1 1 16 16 LYS HE3 H 1 3.014 0.02 . 2 . . . . 16 LYS HE3 . 15406 1 176 . 1 1 16 16 LYS HG2 H 1 1.352 0.02 . 2 . . . . 16 LYS HG2 . 15406 1 177 . 1 1 16 16 LYS HG3 H 1 1.479 0.02 . 2 . . . . 16 LYS HG3 . 15406 1 178 . 1 1 16 16 LYS C C 13 178.65 0.1 . 1 . . . . 16 LYS C . 15406 1 179 . 1 1 16 16 LYS CA C 13 55.52 0.105 . 1 . . . . 16 LYS CA . 15406 1 180 . 1 1 16 16 LYS CB C 13 34.03 0.171 . 1 . . . . 16 LYS CB . 15406 1 181 . 1 1 16 16 LYS CD C 13 29.81 0.122 . 1 . . . . 16 LYS CD . 15406 1 182 . 1 1 16 16 LYS CE C 13 41.91 0.108 . 1 . . . . 16 LYS CE . 15406 1 183 . 1 1 16 16 LYS CG C 13 25.72 0.1 . 1 . . . . 16 LYS CG . 15406 1 184 . 1 1 16 16 LYS N N 15 121.93 0.109 . 1 . . . . 16 LYS N . 15406 1 185 . 1 1 17 17 THR H H 1 8.927 0.02 . 1 . . . . 17 THR H . 15406 1 186 . 1 1 17 17 THR HA H 1 3.495 0.02 . 1 . . . . 17 THR HA . 15406 1 187 . 1 1 17 17 THR HB H 1 4.354 0.02 . 1 . . . . 17 THR HB . 15406 1 188 . 1 1 17 17 THR HG21 H 1 1.162 0.02 . 2 . . . . 17 THR HG2 . 15406 1 189 . 1 1 17 17 THR HG22 H 1 1.162 0.02 . 2 . . . . 17 THR HG2 . 15406 1 190 . 1 1 17 17 THR HG23 H 1 1.162 0.02 . 2 . . . . 17 THR HG2 . 15406 1 191 . 1 1 17 17 THR C C 13 175.95 0.1 . 1 . . . . 17 THR C . 15406 1 192 . 1 1 17 17 THR CA C 13 67.78 0.182 . 1 . . . . 17 THR CA . 15406 1 193 . 1 1 17 17 THR CB C 13 67.99 0.1 . 1 . . . . 17 THR CB . 15406 1 194 . 1 1 17 17 THR CG2 C 13 23.77 0.121 . 1 . . . . 17 THR CG2 . 15406 1 195 . 1 1 17 17 THR N N 15 119.37 0.1 . 1 . . . . 17 THR N . 15406 1 196 . 1 1 18 18 ALA H H 1 8.937 0.02 . 1 . . . . 18 ALA H . 15406 1 197 . 1 1 18 18 ALA HA H 1 4.144 0.02 . 1 . . . . 18 ALA HA . 15406 1 198 . 1 1 18 18 ALA HB1 H 1 1.481 0.02 . 1 . . . . 18 ALA HB . 15406 1 199 . 1 1 18 18 ALA HB2 H 1 1.481 0.02 . 1 . . . . 18 ALA HB . 15406 1 200 . 1 1 18 18 ALA HB3 H 1 1.481 0.02 . 1 . . . . 18 ALA HB . 15406 1 201 . 1 1 18 18 ALA C C 13 180.41 0.1 . 1 . . . . 18 ALA C . 15406 1 202 . 1 1 18 18 ALA CA C 13 55.23 0.172 . 1 . . . . 18 ALA CA . 15406 1 203 . 1 1 18 18 ALA CB C 13 19.31 0.137 . 1 . . . . 18 ALA CB . 15406 1 204 . 1 1 18 18 ALA N N 15 119.11 0.1 . 1 . . . . 18 ALA N . 15406 1 205 . 1 1 19 19 GLU H H 1 6.920 0.02 . 1 . . . . 19 GLU H . 15406 1 206 . 1 1 19 19 GLU HA H 1 4.127 0.02 . 1 . . . . 19 GLU HA . 15406 1 207 . 1 1 19 19 GLU HB2 H 1 2.097 0.02 . 2 . . . . 19 GLU HB2 . 15406 1 208 . 1 1 19 19 GLU HB3 H 1 2.388 0.02 . 2 . . . . 19 GLU HB3 . 15406 1 209 . 1 1 19 19 GLU HG2 H 1 2.388 0.02 . 2 . . . . 19 GLU HG2 . 15406 1 210 . 1 1 19 19 GLU HG3 H 1 2.388 0.02 . 2 . . . . 19 GLU HG3 . 15406 1 211 . 1 1 19 19 GLU C C 13 178.94 0.1 . 1 . . . . 19 GLU C . 15406 1 212 . 1 1 19 19 GLU CA C 13 58.20 0.1 . 1 . . . . 19 GLU CA . 15406 1 213 . 1 1 19 19 GLU CB C 13 30.51 0.119 . 1 . . . . 19 GLU CB . 15406 1 214 . 1 1 19 19 GLU CG C 13 36.94 0.100 . 1 . . . . 19 GLU CG . 15406 1 215 . 1 1 19 19 GLU N N 15 116.67 0.1 . 1 . . . . 19 GLU N . 15406 1 216 . 1 1 20 20 ILE H H 1 7.551 0.02 . 1 . . . . 20 ILE H . 15406 1 217 . 1 1 20 20 ILE HA H 1 2.563 0.02 . 1 . . . . 20 ILE HA . 15406 1 218 . 1 1 20 20 ILE HB H 1 1.564 0.02 . 1 . . . . 20 ILE HB . 15406 1 219 . 1 1 20 20 ILE HD11 H 1 0.584 0.02 . 2 . . . . 20 ILE HD1 . 15406 1 220 . 1 1 20 20 ILE HD12 H 1 0.584 0.02 . 2 . . . . 20 ILE HD1 . 15406 1 221 . 1 1 20 20 ILE HD13 H 1 0.584 0.02 . 2 . . . . 20 ILE HD1 . 15406 1 222 . 1 1 20 20 ILE HG12 H 1 0.333 0.02 . 2 . . . . 20 ILE HG11 . 15406 1 223 . 1 1 20 20 ILE HG13 H 1 1.327 0.02 . 2 . . . . 20 ILE HG12 . 15406 1 224 . 1 1 20 20 ILE HG21 H 1 0.457 0.02 . 2 . . . . 20 ILE HG2 . 15406 1 225 . 1 1 20 20 ILE HG22 H 1 0.457 0.02 . 2 . . . . 20 ILE HG2 . 15406 1 226 . 1 1 20 20 ILE HG23 H 1 0.457 0.02 . 2 . . . . 20 ILE HG2 . 15406 1 227 . 1 1 20 20 ILE C C 13 176.51 0.1 . 1 . . . . 20 ILE C . 15406 1 228 . 1 1 20 20 ILE CA C 13 64.50 0.109 . 1 . . . . 20 ILE CA . 15406 1 229 . 1 1 20 20 ILE CB C 13 38.17 0.148 . 1 . . . . 20 ILE CB . 15406 1 230 . 1 1 20 20 ILE CD1 C 13 15.13 0.153 . 1 . . . . 20 ILE CD1 . 15406 1 231 . 1 1 20 20 ILE CG1 C 13 29.70 0.118 . 1 . . . . 20 ILE CG1 . 15406 1 232 . 1 1 20 20 ILE CG2 C 13 17.72 0.130 . 1 . . . . 20 ILE CG2 . 15406 1 233 . 1 1 20 20 ILE N N 15 122.16 0.1 . 1 . . . . 20 ILE N . 15406 1 234 . 1 1 21 21 ALA H H 1 8.183 0.02 . 1 . . . . 21 ALA H . 15406 1 235 . 1 1 21 21 ALA HA H 1 3.602 0.02 . 1 . . . . 21 ALA HA . 15406 1 236 . 1 1 21 21 ALA HB1 H 1 1.313 0.02 . 1 . . . . 21 ALA HB . 15406 1 237 . 1 1 21 21 ALA HB2 H 1 1.313 0.02 . 1 . . . . 21 ALA HB . 15406 1 238 . 1 1 21 21 ALA HB3 H 1 1.313 0.02 . 1 . . . . 21 ALA HB . 15406 1 239 . 1 1 21 21 ALA C C 13 179.32 0.1 . 1 . . . . 21 ALA C . 15406 1 240 . 1 1 21 21 ALA CA C 13 55.35 0.118 . 1 . . . . 21 ALA CA . 15406 1 241 . 1 1 21 21 ALA CB C 13 17.78 0.161 . 1 . . . . 21 ALA CB . 15406 1 242 . 1 1 21 21 ALA N N 15 120.26 0.1 . 1 . . . . 21 ALA N . 15406 1 243 . 1 1 22 22 GLU H H 1 7.677 0.02 . 1 . . . . 22 GLU H . 15406 1 244 . 1 1 22 22 GLU HA H 1 4.046 0.02 . 1 . . . . 22 GLU HA . 15406 1 245 . 1 1 22 22 GLU HB2 H 1 2.029 0.02 . 2 . . . . 22 GLU HB2 . 15406 1 246 . 1 1 22 22 GLU HB3 H 1 2.143 0.02 . 2 . . . . 22 GLU HB3 . 15406 1 247 . 1 1 22 22 GLU HG2 H 1 2.268 0.02 . 2 . . . . 22 GLU HG2 . 15406 1 248 . 1 1 22 22 GLU HG3 H 1 2.410 0.02 . 2 . . . . 22 GLU HG3 . 15406 1 249 . 1 1 22 22 GLU C C 13 179.59 0.1 . 1 . . . . 22 GLU C . 15406 1 250 . 1 1 22 22 GLU CA C 13 59.05 0.1 . 1 . . . . 22 GLU CA . 15406 1 251 . 1 1 22 22 GLU CB C 13 29.66 0.1 . 1 . . . . 22 GLU CB . 15406 1 252 . 1 1 22 22 GLU CG C 13 36.36 0.145 . 1 . . . . 22 GLU CG . 15406 1 253 . 1 1 22 22 GLU N N 15 115.70 0.109 . 1 . . . . 22 GLU N . 15406 1 254 . 1 1 23 23 ALA H H 1 7.551 0.02 . 1 . . . . 23 ALA H . 15406 1 255 . 1 1 23 23 ALA HA H 1 4.104 0.02 . 1 . . . . 23 ALA HA . 15406 1 256 . 1 1 23 23 ALA HB1 H 1 1.318 0.02 . 1 . . . . 23 ALA HB . 15406 1 257 . 1 1 23 23 ALA HB2 H 1 1.318 0.02 . 1 . . . . 23 ALA HB . 15406 1 258 . 1 1 23 23 ALA HB3 H 1 1.318 0.02 . 1 . . . . 23 ALA HB . 15406 1 259 . 1 1 23 23 ALA C C 13 179.28 0.1 . 1 . . . . 23 ALA C . 15406 1 260 . 1 1 23 23 ALA CA C 13 54.82 0.1 . 1 . . . . 23 ALA CA . 15406 1 261 . 1 1 23 23 ALA CB C 13 18.74 0.151 . 1 . . . . 23 ALA CB . 15406 1 262 . 1 1 23 23 ALA N N 15 121.52 0.1 . 1 . . . . 23 ALA N . 15406 1 263 . 1 1 24 24 LEU H H 1 7.575 0.02 . 1 . . . . 24 LEU H . 15406 1 264 . 1 1 24 24 LEU HA H 1 4.189 0.02 . 1 . . . . 24 LEU HA . 15406 1 265 . 1 1 24 24 LEU HB2 H 1 1.500 0.02 . 2 . . . . 24 LEU HB2 . 15406 1 266 . 1 1 24 24 LEU HB3 H 1 1.701 0.02 . 2 . . . . 24 LEU HB3 . 15406 1 267 . 1 1 24 24 LEU HD11 H 1 0.637 0.02 . 2 . . . . 24 LEU HD1 . 15406 1 268 . 1 1 24 24 LEU HD12 H 1 0.637 0.02 . 2 . . . . 24 LEU HD1 . 15406 1 269 . 1 1 24 24 LEU HD13 H 1 0.637 0.02 . 2 . . . . 24 LEU HD1 . 15406 1 270 . 1 1 24 24 LEU HD21 H 1 0.701 0.02 . 2 . . . . 24 LEU HD2 . 15406 1 271 . 1 1 24 24 LEU HD22 H 1 0.701 0.02 . 2 . . . . 24 LEU HD2 . 15406 1 272 . 1 1 24 24 LEU HD23 H 1 0.701 0.02 . 2 . . . . 24 LEU HD2 . 15406 1 273 . 1 1 24 24 LEU HG H 1 1.697 0.02 . 1 . . . . 24 LEU HG . 15406 1 274 . 1 1 24 24 LEU C C 13 175.41 0.1 . 1 . . . . 24 LEU C . 15406 1 275 . 1 1 24 24 LEU CA C 13 54.80 0.116 . 1 . . . . 24 LEU CA . 15406 1 276 . 1 1 24 24 LEU CB C 13 42.69 0.119 . 1 . . . . 24 LEU CB . 15406 1 277 . 1 1 24 24 LEU CD1 C 13 24.89 0.114 . 1 . . . . 24 LEU CD1 . 15406 1 278 . 1 1 24 24 LEU CD2 C 13 24.08 0.155 . 1 . . . . 24 LEU CD2 . 15406 1 279 . 1 1 24 24 LEU CG C 13 28.49 0.158 . 1 . . . . 24 LEU CG . 15406 1 280 . 1 1 24 24 LEU N N 15 117.05 0.1 . 1 . . . . 24 LEU N . 15406 1 281 . 1 1 25 25 ALA H H 1 7.934 0.02 . 1 . . . . 25 ALA H . 15406 1 282 . 1 1 25 25 ALA HA H 1 4.089 0.02 . 1 . . . . 25 ALA HA . 15406 1 283 . 1 1 25 25 ALA HB1 H 1 1.438 0.02 . 1 . . . . 25 ALA HB . 15406 1 284 . 1 1 25 25 ALA HB2 H 1 1.438 0.02 . 1 . . . . 25 ALA HB . 15406 1 285 . 1 1 25 25 ALA HB3 H 1 1.438 0.02 . 1 . . . . 25 ALA HB . 15406 1 286 . 1 1 25 25 ALA C C 13 176.62 0.1 . 1 . . . . 25 ALA C . 15406 1 287 . 1 1 25 25 ALA CA C 13 52.98 0.1 . 1 . . . . 25 ALA CA . 15406 1 288 . 1 1 25 25 ALA CB C 13 16.71 0.174 . 1 . . . . 25 ALA CB . 15406 1 289 . 1 1 25 25 ALA N N 15 122.08 0.1 . 1 . . . . 25 ALA N . 15406 1 290 . 1 1 26 26 VAL H H 1 8.014 0.02 . 1 . . . . 26 VAL H . 15406 1 291 . 1 1 26 26 VAL HA H 1 4.923 0.02 . 1 . . . . 26 VAL HA . 15406 1 292 . 1 1 26 26 VAL HB H 1 2.477 0.02 . 1 . . . . 26 VAL HB . 15406 1 293 . 1 1 26 26 VAL HG11 H 1 0.770 0.02 . 2 . . . . 26 VAL HG1 . 15406 1 294 . 1 1 26 26 VAL HG12 H 1 0.770 0.02 . 2 . . . . 26 VAL HG1 . 15406 1 295 . 1 1 26 26 VAL HG13 H 1 0.770 0.02 . 2 . . . . 26 VAL HG1 . 15406 1 296 . 1 1 26 26 VAL HG21 H 1 0.909 0.02 . 2 . . . . 26 VAL HG2 . 15406 1 297 . 1 1 26 26 VAL HG22 H 1 0.909 0.02 . 2 . . . . 26 VAL HG2 . 15406 1 298 . 1 1 26 26 VAL HG23 H 1 0.909 0.02 . 2 . . . . 26 VAL HG2 . 15406 1 299 . 1 1 26 26 VAL C C 13 175.49 0.1 . 1 . . . . 26 VAL C . 15406 1 300 . 1 1 26 26 VAL CA C 13 58.55 0.101 . 1 . . . . 26 VAL CA . 15406 1 301 . 1 1 26 26 VAL CB C 13 34.97 0.1 . 1 . . . . 26 VAL CB . 15406 1 302 . 1 1 26 26 VAL CG1 C 13 18.51 0.137 . 1 . . . . 26 VAL CG1 . 15406 1 303 . 1 1 26 26 VAL CG2 C 13 21.64 0.116 . 1 . . . . 26 VAL CG2 . 15406 1 304 . 1 1 26 26 VAL N N 15 110.00 0.1 . 1 . . . . 26 VAL N . 15406 1 305 . 1 1 27 27 THR H H 1 8.041 0.02 . 1 . . . . 27 THR H . 15406 1 306 . 1 1 27 27 THR HA H 1 4.444 0.02 . 1 . . . . 27 THR HA . 15406 1 307 . 1 1 27 27 THR HB H 1 4.617 0.02 . 1 . . . . 27 THR HB . 15406 1 308 . 1 1 27 27 THR HG21 H 1 1.344 0.02 . 2 . . . . 27 THR HG2 . 15406 1 309 . 1 1 27 27 THR HG22 H 1 1.344 0.02 . 2 . . . . 27 THR HG2 . 15406 1 310 . 1 1 27 27 THR HG23 H 1 1.344 0.02 . 2 . . . . 27 THR HG2 . 15406 1 311 . 1 1 27 27 THR C C 13 175.90 0.1 . 1 . . . . 27 THR C . 15406 1 312 . 1 1 27 27 THR CA C 13 60.82 0.130 . 1 . . . . 27 THR CA . 15406 1 313 . 1 1 27 27 THR CB C 13 71.35 0.1 . 1 . . . . 27 THR CB . 15406 1 314 . 1 1 27 27 THR CG2 C 13 22.05 0.148 . 1 . . . . 27 THR CG2 . 15406 1 315 . 1 1 27 27 THR N N 15 127.24 0.1 . 1 . . . . 27 THR N . 15406 1 316 . 1 1 28 28 ASP H H 1 8.794 0.02 . 1 . . . . 28 ASP H . 15406 1 317 . 1 1 28 28 ASP HA H 1 3.950 0.02 . 1 . . . . 28 ASP HA . 15406 1 318 . 1 1 28 28 ASP HB2 H 1 2.622 0.02 . 2 . . . . 28 ASP HB2 . 15406 1 319 . 1 1 28 28 ASP HB3 H 1 2.622 0.02 . 2 . . . . 28 ASP HB3 . 15406 1 320 . 1 1 28 28 ASP C C 13 177.89 0.1 . 1 . . . . 28 ASP C . 15406 1 321 . 1 1 28 28 ASP CA C 13 57.98 0.1 . 1 . . . . 28 ASP CA . 15406 1 322 . 1 1 28 28 ASP CB C 13 39.71 0.1 . 1 . . . . 28 ASP CB . 15406 1 323 . 1 1 28 28 ASP N N 15 121.54 0.1 . 1 . . . . 28 ASP N . 15406 1 324 . 1 1 29 29 TYR H H 1 8.037 0.02 . 1 . . . . 29 TYR H . 15406 1 325 . 1 1 29 29 TYR HA H 1 4.107 0.02 . 1 . . . . 29 TYR HA . 15406 1 326 . 1 1 29 29 TYR HB2 H 1 2.964 0.072 . 2 . . . . 29 TYR HB2 . 15406 1 327 . 1 1 29 29 TYR HB3 H 1 3.155 0.02 . 2 . . . . 29 TYR HB3 . 15406 1 328 . 1 1 29 29 TYR HD1 H 1 7.098 0.02 . 2 . . . . 29 TYR HD1 . 15406 1 329 . 1 1 29 29 TYR HD2 H 1 7.098 0.02 . 2 . . . . 29 TYR HD2 . 15406 1 330 . 1 1 29 29 TYR HE1 H 1 6.841 0.02 . 2 . . . . 29 TYR HE1 . 15406 1 331 . 1 1 29 29 TYR HE2 H 1 6.841 0.02 . 2 . . . . 29 TYR HE2 . 15406 1 332 . 1 1 29 29 TYR C C 13 178.05 0.1 . 1 . . . . 29 TYR C . 15406 1 333 . 1 1 29 29 TYR CA C 13 60.96 0.1 . 1 . . . . 29 TYR CA . 15406 1 334 . 1 1 29 29 TYR CB C 13 38.11 0.1 . 1 . . . . 29 TYR CB . 15406 1 335 . 1 1 29 29 TYR CD1 C 13 133.59 0.140 . 2 . . . . 29 TYR CD1 . 15406 1 336 . 1 1 29 29 TYR CD2 C 13 133.59 0.140 . 2 . . . . 29 TYR CD2 . 15406 1 337 . 1 1 29 29 TYR CE1 C 13 118.10 0.1 . 2 . . . . 29 TYR CE1 . 15406 1 338 . 1 1 29 29 TYR CE2 C 13 118.10 0.1 . 2 . . . . 29 TYR CE2 . 15406 1 339 . 1 1 29 29 TYR N N 15 116.93 0.1 . 1 . . . . 29 TYR N . 15406 1 340 . 1 1 30 30 GLN H H 1 7.667 0.02 . 1 . . . . 30 GLN H . 15406 1 341 . 1 1 30 30 GLN HA H 1 3.972 0.02 . 1 . . . . 30 GLN HA . 15406 1 342 . 1 1 30 30 GLN HB2 H 1 1.941 0.02 . 2 . . . . 30 GLN HB2 . 15406 1 343 . 1 1 30 30 GLN HB3 H 1 2.264 0.02 . 2 . . . . 30 GLN HB3 . 15406 1 344 . 1 1 30 30 GLN HG2 H 1 2.440 0.02 . 2 . . . . 30 GLN HG2 . 15406 1 345 . 1 1 30 30 GLN HG3 H 1 2.440 0.02 . 2 . . . . 30 GLN HG3 . 15406 1 346 . 1 1 30 30 GLN C C 13 177.85 0.1 . 1 . . . . 30 GLN C . 15406 1 347 . 1 1 30 30 GLN CA C 13 58.68 0.109 . 1 . . . . 30 GLN CA . 15406 1 348 . 1 1 30 30 GLN CB C 13 29.20 0.150 . 1 . . . . 30 GLN CB . 15406 1 349 . 1 1 30 30 GLN CG C 13 34.77 0.1 . 1 . . . . 30 GLN CG . 15406 1 350 . 1 1 30 30 GLN N N 15 120.87 0.1 . 1 . . . . 30 GLN N . 15406 1 351 . 1 1 31 31 ALA H H 1 8.216 0.02 . 1 . . . . 31 ALA H . 15406 1 352 . 1 1 31 31 ALA HA H 1 3.819 0.02 . 1 . . . . 31 ALA HA . 15406 1 353 . 1 1 31 31 ALA HB1 H 1 1.157 0.02 . 1 . . . . 31 ALA HB . 15406 1 354 . 1 1 31 31 ALA HB2 H 1 1.157 0.02 . 1 . . . . 31 ALA HB . 15406 1 355 . 1 1 31 31 ALA HB3 H 1 1.157 0.02 . 1 . . . . 31 ALA HB . 15406 1 356 . 1 1 31 31 ALA C C 13 178.35 0.1 . 1 . . . . 31 ALA C . 15406 1 357 . 1 1 31 31 ALA CA C 13 55.72 0.1 . 1 . . . . 31 ALA CA . 15406 1 358 . 1 1 31 31 ALA CB C 13 17.37 0.1 . 1 . . . . 31 ALA CB . 15406 1 359 . 1 1 31 31 ALA N N 15 119.61 0.1 . 1 . . . . 31 ALA N . 15406 1 360 . 1 1 32 32 ARG H H 1 8.452 0.02 . 1 . . . . 32 ARG H . 15406 1 361 . 1 1 32 32 ARG HA H 1 3.567 0.02 . 1 . . . . 32 ARG HA . 15406 1 362 . 1 1 32 32 ARG HB2 H 1 1.881 0.02 . 2 . . . . 32 ARG HB2 . 15406 1 363 . 1 1 32 32 ARG HB3 H 1 1.881 0.02 . 2 . . . . 32 ARG HB3 . 15406 1 364 . 1 1 32 32 ARG HD2 H 1 3.382 0.02 . 2 . . . . 32 ARG HD2 . 15406 1 365 . 1 1 32 32 ARG HD3 H 1 3.382 0.02 . 2 . . . . 32 ARG HD3 . 15406 1 366 . 1 1 32 32 ARG HG2 H 1 1.657 0.02 . 2 . . . . 32 ARG HG2 . 15406 1 367 . 1 1 32 32 ARG HG3 H 1 1.727 0.02 . 2 . . . . 32 ARG HG3 . 15406 1 368 . 1 1 32 32 ARG C C 13 176.52 0.1 . 1 . . . . 32 ARG C . 15406 1 369 . 1 1 32 32 ARG CA C 13 60.11 0.1 . 1 . . . . 32 ARG CA . 15406 1 370 . 1 1 32 32 ARG CB C 13 30.26 0.115 . 1 . . . . 32 ARG CB . 15406 1 371 . 1 1 32 32 ARG CD C 13 43.51 0.110 . 1 . . . . 32 ARG CD . 15406 1 372 . 1 1 32 32 ARG CG C 13 28.74 0.1 . 1 . . . . 32 ARG CG . 15406 1 373 . 1 1 32 32 ARG N N 15 116.54 0.100 . 1 . . . . 32 ARG N . 15406 1 374 . 1 1 33 33 TYR H H 1 7.795 0.02 . 1 . . . . 33 TYR H . 15406 1 375 . 1 1 33 33 TYR HA H 1 3.862 0.02 . 1 . . . . 33 TYR HA . 15406 1 376 . 1 1 33 33 TYR HB2 H 1 2.805 0.02 . 2 . . . . 33 TYR HB2 . 15406 1 377 . 1 1 33 33 TYR HB3 H 1 2.937 0.02 . 2 . . . . 33 TYR HB3 . 15406 1 378 . 1 1 33 33 TYR HD1 H 1 6.447 0.02 . 2 . . . . 33 TYR HD1 . 15406 1 379 . 1 1 33 33 TYR HD2 H 1 6.447 0.02 . 2 . . . . 33 TYR HD2 . 15406 1 380 . 1 1 33 33 TYR HE1 H 1 6.561 0.02 . 2 . . . . 33 TYR HE1 . 15406 1 381 . 1 1 33 33 TYR HE2 H 1 6.561 0.02 . 2 . . . . 33 TYR HE2 . 15406 1 382 . 1 1 33 33 TYR C C 13 177.81 0.1 . 1 . . . . 33 TYR C . 15406 1 383 . 1 1 33 33 TYR CA C 13 61.50 0.145 . 1 . . . . 33 TYR CA . 15406 1 384 . 1 1 33 33 TYR CB C 13 37.86 0.1 . 1 . . . . 33 TYR CB . 15406 1 385 . 1 1 33 33 TYR CD1 C 13 133.14 0.1 . 2 . . . . 33 TYR CD1 . 15406 1 386 . 1 1 33 33 TYR CD2 C 13 133.14 0.1 . 2 . . . . 33 TYR CD2 . 15406 1 387 . 1 1 33 33 TYR CE1 C 13 117.55 0.1 . 2 . . . . 33 TYR CE1 . 15406 1 388 . 1 1 33 33 TYR CE2 C 13 117.55 0.1 . 2 . . . . 33 TYR CE2 . 15406 1 389 . 1 1 33 33 TYR N N 15 118.31 0.1 . 1 . . . . 33 TYR N . 15406 1 390 . 1 1 34 34 TYR H H 1 7.462 0.02 . 1 . . . . 34 TYR H . 15406 1 391 . 1 1 34 34 TYR HA H 1 3.930 0.02 . 1 . . . . 34 TYR HA . 15406 1 392 . 1 1 34 34 TYR HB2 H 1 2.701 0.02 . 2 . . . . 34 TYR HB2 . 15406 1 393 . 1 1 34 34 TYR HB3 H 1 2.701 0.02 . 2 . . . . 34 TYR HB3 . 15406 1 394 . 1 1 34 34 TYR HD1 H 1 7.200 0.02 . 2 . . . . 34 TYR HD1 . 15406 1 395 . 1 1 34 34 TYR HD2 H 1 7.200 0.02 . 2 . . . . 34 TYR HD2 . 15406 1 396 . 1 1 34 34 TYR HE1 H 1 6.957 0.02 . 2 . . . . 34 TYR HE1 . 15406 1 397 . 1 1 34 34 TYR HE2 H 1 6.957 0.02 . 2 . . . . 34 TYR HE2 . 15406 1 398 . 1 1 34 34 TYR C C 13 178.46 0.1 . 1 . . . . 34 TYR C . 15406 1 399 . 1 1 34 34 TYR CA C 13 61.95 0.109 . 1 . . . . 34 TYR CA . 15406 1 400 . 1 1 34 34 TYR CB C 13 39.29 0.1 . 1 . . . . 34 TYR CB . 15406 1 401 . 1 1 34 34 TYR CD1 C 13 133.14 0.114 . 2 . . . . 34 TYR CD1 . 15406 1 402 . 1 1 34 34 TYR CD2 C 13 133.14 0.114 . 2 . . . . 34 TYR CD2 . 15406 1 403 . 1 1 34 34 TYR CE1 C 13 118.42 0.1 . 2 . . . . 34 TYR CE1 . 15406 1 404 . 1 1 34 34 TYR CE2 C 13 118.42 0.1 . 2 . . . . 34 TYR CE2 . 15406 1 405 . 1 1 34 34 TYR N N 15 115.81 0.1 . 1 . . . . 34 TYR N . 15406 1 406 . 1 1 35 35 LEU H H 1 8.448 0.02 . 1 . . . . 35 LEU H . 15406 1 407 . 1 1 35 35 LEU HA H 1 3.419 0.02 . 1 . . . . 35 LEU HA . 15406 1 408 . 1 1 35 35 LEU HB2 H 1 -0.787 0.02 . 2 . . . . 35 LEU HB2 . 15406 1 409 . 1 1 35 35 LEU HB3 H 1 0.947 0.02 . 2 . . . . 35 LEU HB3 . 15406 1 410 . 1 1 35 35 LEU HD11 H 1 -0.337 0.02 . 2 . . . . 35 LEU HD1 . 15406 1 411 . 1 1 35 35 LEU HD12 H 1 -0.337 0.02 . 2 . . . . 35 LEU HD1 . 15406 1 412 . 1 1 35 35 LEU HD13 H 1 -0.337 0.02 . 2 . . . . 35 LEU HD1 . 15406 1 413 . 1 1 35 35 LEU HD21 H 1 0.086 0.02 . 2 . . . . 35 LEU HD2 . 15406 1 414 . 1 1 35 35 LEU HD22 H 1 0.086 0.02 . 2 . . . . 35 LEU HD2 . 15406 1 415 . 1 1 35 35 LEU HD23 H 1 0.086 0.02 . 2 . . . . 35 LEU HD2 . 15406 1 416 . 1 1 35 35 LEU HG H 1 1.099 0.02 . 1 . . . . 35 LEU HG . 15406 1 417 . 1 1 35 35 LEU C C 13 178.21 0.1 . 1 . . . . 35 LEU C . 15406 1 418 . 1 1 35 35 LEU CA C 13 58.84 0.127 . 1 . . . . 35 LEU CA . 15406 1 419 . 1 1 35 35 LEU CB C 13 39.23 0.163 . 1 . . . . 35 LEU CB . 15406 1 420 . 1 1 35 35 LEU CD1 C 13 23.82 0.165 . 1 . . . . 35 LEU CD1 . 15406 1 421 . 1 1 35 35 LEU CD2 C 13 22.68 0.127 . 1 . . . . 35 LEU CD2 . 15406 1 422 . 1 1 35 35 LEU CG C 13 27.25 0.1 . 1 . . . . 35 LEU CG . 15406 1 423 . 1 1 35 35 LEU N N 15 123.01 0.104 . 1 . . . . 35 LEU N . 15406 1 424 . 1 1 36 36 LEU H H 1 8.314 0.02 . 1 . . . . 36 LEU H . 15406 1 425 . 1 1 36 36 LEU HA H 1 4.139 0.02 . 1 . . . . 36 LEU HA . 15406 1 426 . 1 1 36 36 LEU HB2 H 1 1.392 0.02 . 2 . . . . 36 LEU HB2 . 15406 1 427 . 1 1 36 36 LEU HB3 H 1 1.852 0.02 . 2 . . . . 36 LEU HB3 . 15406 1 428 . 1 1 36 36 LEU HD11 H 1 0.916 0.02 . 2 . . . . 36 LEU HD1 . 15406 1 429 . 1 1 36 36 LEU HD12 H 1 0.916 0.02 . 2 . . . . 36 LEU HD1 . 15406 1 430 . 1 1 36 36 LEU HD13 H 1 0.916 0.02 . 2 . . . . 36 LEU HD1 . 15406 1 431 . 1 1 36 36 LEU HD21 H 1 1.066 0.02 . 2 . . . . 36 LEU HD2 . 15406 1 432 . 1 1 36 36 LEU HD22 H 1 1.066 0.02 . 2 . . . . 36 LEU HD2 . 15406 1 433 . 1 1 36 36 LEU HD23 H 1 1.066 0.02 . 2 . . . . 36 LEU HD2 . 15406 1 434 . 1 1 36 36 LEU HG H 1 1.882 0.02 . 1 . . . . 36 LEU HG . 15406 1 435 . 1 1 36 36 LEU C C 13 181.24 0.1 . 1 . . . . 36 LEU C . 15406 1 436 . 1 1 36 36 LEU CA C 13 57.90 0.136 . 1 . . . . 36 LEU CA . 15406 1 437 . 1 1 36 36 LEU CB C 13 41.29 0.143 . 1 . . . . 36 LEU CB . 15406 1 438 . 1 1 36 36 LEU CD1 C 13 25.86 0.116 . 1 . . . . 36 LEU CD1 . 15406 1 439 . 1 1 36 36 LEU CD2 C 13 23.46 0.1 . 1 . . . . 36 LEU CD2 . 15406 1 440 . 1 1 36 36 LEU CG C 13 27.30 0.1 . 1 . . . . 36 LEU CG . 15406 1 441 . 1 1 36 36 LEU N N 15 118.62 0.1 . 1 . . . . 36 LEU N . 15406 1 442 . 1 1 37 37 LEU H H 1 7.234 0.02 . 1 . . . . 37 LEU H . 15406 1 443 . 1 1 37 37 LEU HA H 1 4.002 0.02 . 1 . . . . 37 LEU HA . 15406 1 444 . 1 1 37 37 LEU HB2 H 1 1.445 0.02 . 2 . . . . 37 LEU HB2 . 15406 1 445 . 1 1 37 37 LEU HB3 H 1 1.833 0.02 . 2 . . . . 37 LEU HB3 . 15406 1 446 . 1 1 37 37 LEU HD11 H 1 0.642 0.02 . 2 . . . . 37 LEU HD1 . 15406 1 447 . 1 1 37 37 LEU HD12 H 1 0.642 0.02 . 2 . . . . 37 LEU HD1 . 15406 1 448 . 1 1 37 37 LEU HD13 H 1 0.642 0.02 . 2 . . . . 37 LEU HD1 . 15406 1 449 . 1 1 37 37 LEU HD21 H 1 0.719 0.022 . 2 . . . . 37 LEU HD2 . 15406 1 450 . 1 1 37 37 LEU HD22 H 1 0.719 0.022 . 2 . . . . 37 LEU HD2 . 15406 1 451 . 1 1 37 37 LEU HD23 H 1 0.719 0.022 . 2 . . . . 37 LEU HD2 . 15406 1 452 . 1 1 37 37 LEU HG H 1 1.482 0.02 . 1 . . . . 37 LEU HG . 15406 1 453 . 1 1 37 37 LEU C C 13 180.92 0.1 . 1 . . . . 37 LEU C . 15406 1 454 . 1 1 37 37 LEU CA C 13 58.22 0.118 . 1 . . . . 37 LEU CA . 15406 1 455 . 1 1 37 37 LEU CB C 13 41.76 0.106 . 1 . . . . 37 LEU CB . 15406 1 456 . 1 1 37 37 LEU CD1 C 13 25.76 0.149 . 1 . . . . 37 LEU CD1 . 15406 1 457 . 1 1 37 37 LEU CD2 C 13 22.92 0.106 . 1 . . . . 37 LEU CD2 . 15406 1 458 . 1 1 37 37 LEU CG C 13 26.32 0.126 . 1 . . . . 37 LEU CG . 15406 1 459 . 1 1 37 37 LEU N N 15 120.67 0.1 . 1 . . . . 37 LEU N . 15406 1 460 . 1 1 38 38 LEU H H 1 8.294 0.02 . 1 . . . . 38 LEU H . 15406 1 461 . 1 1 38 38 LEU HA H 1 4.085 0.02 . 1 . . . . 38 LEU HA . 15406 1 462 . 1 1 38 38 LEU HB2 H 1 1.243 0.02 . 2 . . . . 38 LEU HB2 . 15406 1 463 . 1 1 38 38 LEU HB3 H 1 2.047 0.02 . 2 . . . . 38 LEU HB3 . 15406 1 464 . 1 1 38 38 LEU HD11 H 1 0.792 0.02 . 2 . . . . 38 LEU HD1 . 15406 1 465 . 1 1 38 38 LEU HD12 H 1 0.792 0.02 . 2 . . . . 38 LEU HD1 . 15406 1 466 . 1 1 38 38 LEU HD13 H 1 0.792 0.02 . 2 . . . . 38 LEU HD1 . 15406 1 467 . 1 1 38 38 LEU HD21 H 1 0.903 0.02 . 2 . . . . 38 LEU HD2 . 15406 1 468 . 1 1 38 38 LEU HD22 H 1 0.903 0.02 . 2 . . . . 38 LEU HD2 . 15406 1 469 . 1 1 38 38 LEU HD23 H 1 0.903 0.02 . 2 . . . . 38 LEU HD2 . 15406 1 470 . 1 1 38 38 LEU HG H 1 1.887 0.02 . 1 . . . . 38 LEU HG . 15406 1 471 . 1 1 38 38 LEU C C 13 179.09 0.1 . 1 . . . . 38 LEU C . 15406 1 472 . 1 1 38 38 LEU CA C 13 57.56 0.1 . 1 . . . . 38 LEU CA . 15406 1 473 . 1 1 38 38 LEU CB C 13 42.83 0.137 . 1 . . . . 38 LEU CB . 15406 1 474 . 1 1 38 38 LEU CD1 C 13 25.96 0.127 . 1 . . . . 38 LEU CD1 . 15406 1 475 . 1 1 38 38 LEU CD2 C 13 23.53 0.166 . 1 . . . . 38 LEU CD2 . 15406 1 476 . 1 1 38 38 LEU CG C 13 27.26 0.139 . 1 . . . . 38 LEU CG . 15406 1 477 . 1 1 38 38 LEU N N 15 121.71 0.1 . 1 . . . . 38 LEU N . 15406 1 478 . 1 1 39 39 GLU H H 1 8.987 0.02 . 1 . . . . 39 GLU H . 15406 1 479 . 1 1 39 39 GLU HA H 1 4.447 0.02 . 1 . . . . 39 GLU HA . 15406 1 480 . 1 1 39 39 GLU HB2 H 1 2.179 0.02 . 2 . . . . 39 GLU HB2 . 15406 1 481 . 1 1 39 39 GLU HB3 H 1 2.567 0.02 . 2 . . . . 39 GLU HB3 . 15406 1 482 . 1 1 39 39 GLU HG2 H 1 2.300 0.02 . 2 . . . . 39 GLU HG2 . 15406 1 483 . 1 1 39 39 GLU HG3 H 1 2.488 0.02 . 2 . . . . 39 GLU HG3 . 15406 1 484 . 1 1 39 39 GLU C C 13 181.10 0.1 . 1 . . . . 39 GLU C . 15406 1 485 . 1 1 39 39 GLU CA C 13 59.06 0.100 . 1 . . . . 39 GLU CA . 15406 1 486 . 1 1 39 39 GLU CB C 13 30.45 0.124 . 1 . . . . 39 GLU CB . 15406 1 487 . 1 1 39 39 GLU CG C 13 36.42 0.185 . 1 . . . . 39 GLU CG . 15406 1 488 . 1 1 39 39 GLU N N 15 125.50 0.105 . 1 . . . . 39 GLU N . 15406 1 489 . 1 1 40 40 LYS H H 1 8.242 0.02 . 1 . . . . 40 LYS H . 15406 1 490 . 1 1 40 40 LYS HA H 1 4.169 0.02 . 1 . . . . 40 LYS HA . 15406 1 491 . 1 1 40 40 LYS HB2 H 1 2.011 0.02 . 2 . . . . 40 LYS HB2 . 15406 1 492 . 1 1 40 40 LYS HB3 H 1 2.011 0.02 . 2 . . . . 40 LYS HB3 . 15406 1 493 . 1 1 40 40 LYS HD2 H 1 1.717 0.02 . 2 . . . . 40 LYS HD2 . 15406 1 494 . 1 1 40 40 LYS HD3 H 1 1.717 0.02 . 2 . . . . 40 LYS HD3 . 15406 1 495 . 1 1 40 40 LYS HE2 H 1 3.014 0.02 . 2 . . . . 40 LYS HE2 . 15406 1 496 . 1 1 40 40 LYS HE3 H 1 3.014 0.02 . 2 . . . . 40 LYS HE3 . 15406 1 497 . 1 1 40 40 LYS HG2 H 1 1.577 0.02 . 2 . . . . 40 LYS HG2 . 15406 1 498 . 1 1 40 40 LYS HG3 H 1 1.693 0.02 . 2 . . . . 40 LYS HG3 . 15406 1 499 . 1 1 40 40 LYS C C 13 178.12 0.1 . 1 . . . . 40 LYS C . 15406 1 500 . 1 1 40 40 LYS CA C 13 59.24 0.1 . 1 . . . . 40 LYS CA . 15406 1 501 . 1 1 40 40 LYS CB C 13 32.25 0.1 . 1 . . . . 40 LYS CB . 15406 1 502 . 1 1 40 40 LYS CD C 13 29.35 0.1 . 1 . . . . 40 LYS CD . 15406 1 503 . 1 1 40 40 LYS CE C 13 42.03 0.101 . 1 . . . . 40 LYS CE . 15406 1 504 . 1 1 40 40 LYS CG C 13 25.33 0.145 . 1 . . . . 40 LYS CG . 15406 1 505 . 1 1 40 40 LYS N N 15 123.51 0.104 . 1 . . . . 40 LYS N . 15406 1 506 . 1 1 41 41 ALA H H 1 7.540 0.02 . 1 . . . . 41 ALA H . 15406 1 507 . 1 1 41 41 ALA HA H 1 4.436 0.02 . 1 . . . . 41 ALA HA . 15406 1 508 . 1 1 41 41 ALA HB1 H 1 1.591 0.02 . 1 . . . . 41 ALA HB . 15406 1 509 . 1 1 41 41 ALA HB2 H 1 1.591 0.02 . 1 . . . . 41 ALA HB . 15406 1 510 . 1 1 41 41 ALA HB3 H 1 1.591 0.02 . 1 . . . . 41 ALA HB . 15406 1 511 . 1 1 41 41 ALA C C 13 177.48 0.1 . 1 . . . . 41 ALA C . 15406 1 512 . 1 1 41 41 ALA CA C 13 52.30 0.1 . 1 . . . . 41 ALA CA . 15406 1 513 . 1 1 41 41 ALA CB C 13 19.41 0.177 . 1 . . . . 41 ALA CB . 15406 1 514 . 1 1 41 41 ALA N N 15 118.10 0.1 . 1 . . . . 41 ALA N . 15406 1 515 . 1 1 42 42 GLY H H 1 7.965 0.02 . 1 . . . . 42 GLY H . 15406 1 516 . 1 1 42 42 GLY HA2 H 1 4.025 0.02 . 2 . . . . 42 GLY HA2 . 15406 1 517 . 1 1 42 42 GLY HA3 H 1 4.224 0.02 . 2 . . . . 42 GLY HA3 . 15406 1 518 . 1 1 42 42 GLY CA C 13 45.94 0.1 . 1 . . . . 42 GLY CA . 15406 1 519 . 1 1 42 42 GLY N N 15 125.01 0.1 . 1 . . . . 42 GLY N . 15406 1 520 . 1 1 43 43 MET H H 1 8.186 0.02 . 1 . . . . 43 MET H . 15406 1 521 . 1 1 43 43 MET HA H 1 4.694 0.02 . 1 . . . . 43 MET HA . 15406 1 522 . 1 1 43 43 MET HB2 H 1 1.933 0.02 . 2 . . . . 43 MET HB2 . 15406 1 523 . 1 1 43 43 MET HB3 H 1 2.213 0.02 . 2 . . . . 43 MET HB3 . 15406 1 524 . 1 1 43 43 MET HG2 H 1 2.512 0.02 . 2 . . . . 43 MET HG2 . 15406 1 525 . 1 1 43 43 MET HG3 H 1 2.603 0.02 . 2 . . . . 43 MET HG3 . 15406 1 526 . 1 1 43 43 MET C C 13 176.88 0.1 . 1 . . . . 43 MET C . 15406 1 527 . 1 1 43 43 MET CA C 13 56.43 0.1 . 1 . . . . 43 MET CA . 15406 1 528 . 1 1 43 43 MET CB C 13 34.91 0.102 . 1 . . . . 43 MET CB . 15406 1 529 . 1 1 43 43 MET CG C 13 32.89 0.131 . 1 . . . . 43 MET CG . 15406 1 530 . 1 1 43 43 MET N N 15 114.39 0.1 . 1 . . . . 43 MET N . 15406 1 531 . 1 1 44 44 VAL H H 1 7.080 0.02 . 1 . . . . 44 VAL H . 15406 1 532 . 1 1 44 44 VAL HA H 1 5.078 0.02 . 1 . . . . 44 VAL HA . 15406 1 533 . 1 1 44 44 VAL HB H 1 2.054 0.02 . 1 . . . . 44 VAL HB . 15406 1 534 . 1 1 44 44 VAL HG11 H 1 0.742 0.02 . 2 . . . . 44 VAL HG1 . 15406 1 535 . 1 1 44 44 VAL HG12 H 1 0.742 0.02 . 2 . . . . 44 VAL HG1 . 15406 1 536 . 1 1 44 44 VAL HG13 H 1 0.742 0.02 . 2 . . . . 44 VAL HG1 . 15406 1 537 . 1 1 44 44 VAL HG21 H 1 0.841 0.02 . 2 . . . . 44 VAL HG2 . 15406 1 538 . 1 1 44 44 VAL HG22 H 1 0.841 0.02 . 2 . . . . 44 VAL HG2 . 15406 1 539 . 1 1 44 44 VAL HG23 H 1 0.841 0.02 . 2 . . . . 44 VAL HG2 . 15406 1 540 . 1 1 44 44 VAL C C 13 173.01 0.1 . 1 . . . . 44 VAL C . 15406 1 541 . 1 1 44 44 VAL CA C 13 58.55 0.122 . 1 . . . . 44 VAL CA . 15406 1 542 . 1 1 44 44 VAL CB C 13 36.29 0.1 . 1 . . . . 44 VAL CB . 15406 1 543 . 1 1 44 44 VAL CG1 C 13 21.04 0.1 . 1 . . . . 44 VAL CG1 . 15406 1 544 . 1 1 44 44 VAL CG2 C 13 23.00 0.157 . 1 . . . . 44 VAL CG2 . 15406 1 545 . 1 1 44 44 VAL N N 15 110.99 0.1 . 1 . . . . 44 VAL N . 15406 1 546 . 1 1 45 45 GLN H H 1 9.318 0.02 . 1 . . . . 45 GLN H . 15406 1 547 . 1 1 45 45 GLN HA H 1 4.974 0.02 . 1 . . . . 45 GLN HA . 15406 1 548 . 1 1 45 45 GLN HB2 H 1 1.662 0.02 . 2 . . . . 45 GLN HB2 . 15406 1 549 . 1 1 45 45 GLN HB3 H 1 1.773 0.02 . 2 . . . . 45 GLN HB3 . 15406 1 550 . 1 1 45 45 GLN HG2 H 1 1.956 0.02 . 2 . . . . 45 GLN HG2 . 15406 1 551 . 1 1 45 45 GLN HG3 H 1 2.114 0.02 . 2 . . . . 45 GLN HG3 . 15406 1 552 . 1 1 45 45 GLN C C 13 172.75 0.1 . 1 . . . . 45 GLN C . 15406 1 553 . 1 1 45 45 GLN CA C 13 53.61 0.1 . 1 . . . . 45 GLN CA . 15406 1 554 . 1 1 45 45 GLN CB C 13 33.17 0.103 . 1 . . . . 45 GLN CB . 15406 1 555 . 1 1 45 45 GLN CG C 13 36.13 0.1 . 1 . . . . 45 GLN CG . 15406 1 556 . 1 1 45 45 GLN N N 15 121.06 0.1 . 1 . . . . 45 GLN N . 15406 1 557 . 1 1 46 46 ARG H H 1 8.414 0.02 . 1 . . . . 46 ARG H . 15406 1 558 . 1 1 46 46 ARG HA H 1 4.999 0.02 . 1 . . . . 46 ARG HA . 15406 1 559 . 1 1 46 46 ARG HB2 H 1 1.076 0.02 . 2 . . . . 46 ARG HB2 . 15406 1 560 . 1 1 46 46 ARG HB3 H 1 1.076 0.02 . 2 . . . . 46 ARG HB3 . 15406 1 561 . 1 1 46 46 ARG HD2 H 1 2.269 0.02 . 2 . . . . 46 ARG HD2 . 15406 1 562 . 1 1 46 46 ARG HD3 H 1 2.759 0.02 . 2 . . . . 46 ARG HD3 . 15406 1 563 . 1 1 46 46 ARG HE H 1 8.056 0.02 . 1 . . . . 46 ARG HE . 15406 1 564 . 1 1 46 46 ARG HG2 H 1 0.874 0.02 . 2 . . . . 46 ARG HG2 . 15406 1 565 . 1 1 46 46 ARG HG3 H 1 0.929 0.02 . 2 . . . . 46 ARG HG3 . 15406 1 566 . 1 1 46 46 ARG C C 13 177.25 0.1 . 1 . . . . 46 ARG C . 15406 1 567 . 1 1 46 46 ARG CA C 13 53.62 0.125 . 1 . . . . 46 ARG CA . 15406 1 568 . 1 1 46 46 ARG CB C 13 32.82 0.131 . 1 . . . . 46 ARG CB . 15406 1 569 . 1 1 46 46 ARG CD C 13 43.66 0.118 . 1 . . . . 46 ARG CD . 15406 1 570 . 1 1 46 46 ARG CG C 13 25.50 0.1 . 1 . . . . 46 ARG CG . 15406 1 571 . 1 1 46 46 ARG N N 15 119.31 0.1 . 1 . . . . 46 ARG N . 15406 1 572 . 1 1 46 46 ARG NE N 15 123.40 0.1 . 1 . . . . 46 ARG NE . 15406 1 573 . 1 1 47 47 SER H H 1 8.793 0.02 . 1 . . . . 47 SER H . 15406 1 574 . 1 1 47 47 SER HA H 1 4.758 0.02 . 1 . . . . 47 SER HA . 15406 1 575 . 1 1 47 47 SER HB2 H 1 4.035 0.02 . 2 . . . . 47 SER HB2 . 15406 1 576 . 1 1 47 47 SER HB3 H 1 4.176 0.02 . 2 . . . . 47 SER HB3 . 15406 1 577 . 1 1 47 47 SER CA C 13 56.59 0.125 . 1 . . . . 47 SER CA . 15406 1 578 . 1 1 47 47 SER CB C 13 63.06 0.115 . 1 . . . . 47 SER CB . 15406 1 579 . 1 1 47 47 SER N N 15 118.47 0.1 . 1 . . . . 47 SER N . 15406 1 580 . 1 1 48 48 PRO HA H 1 4.453 0.02 . 1 . . . . 48 PRO HA . 15406 1 581 . 1 1 48 48 PRO HB2 H 1 1.872 0.02 . 2 . . . . 48 PRO HB2 . 15406 1 582 . 1 1 48 48 PRO HB3 H 1 2.307 0.02 . 2 . . . . 48 PRO HB3 . 15406 1 583 . 1 1 48 48 PRO HD2 H 1 3.752 0.02 . 2 . . . . 48 PRO HD2 . 15406 1 584 . 1 1 48 48 PRO HD3 H 1 3.858 0.02 . 2 . . . . 48 PRO HD3 . 15406 1 585 . 1 1 48 48 PRO HG2 H 1 2.042 0.02 . 2 . . . . 48 PRO HG2 . 15406 1 586 . 1 1 48 48 PRO HG3 H 1 2.042 0.02 . 2 . . . . 48 PRO HG3 . 15406 1 587 . 1 1 48 48 PRO C C 13 176.73 0.1 . 1 . . . . 48 PRO C . 15406 1 588 . 1 1 48 48 PRO CA C 13 63.25 0.1 . 1 . . . . 48 PRO CA . 15406 1 589 . 1 1 48 48 PRO CB C 13 32.03 0.1 . 1 . . . . 48 PRO CB . 15406 1 590 . 1 1 48 48 PRO CD C 13 50.73 0.1 . 1 . . . . 48 PRO CD . 15406 1 591 . 1 1 48 48 PRO CG C 13 27.64 0.1 . 1 . . . . 48 PRO CG . 15406 1 592 . 1 1 49 49 LEU H H 1 8.164 0.02 . 1 . . . . 49 LEU H . 15406 1 593 . 1 1 49 49 LEU HA H 1 4.271 0.02 . 1 . . . . 49 LEU HA . 15406 1 594 . 1 1 49 49 LEU HB2 H 1 1.589 0.02 . 2 . . . . 49 LEU HB2 . 15406 1 595 . 1 1 49 49 LEU HB3 H 1 1.589 0.02 . 2 . . . . 49 LEU HB3 . 15406 1 596 . 1 1 49 49 LEU HD11 H 1 0.850 0.02 . 2 . . . . 49 LEU HD1 . 15406 1 597 . 1 1 49 49 LEU HD12 H 1 0.850 0.02 . 2 . . . . 49 LEU HD1 . 15406 1 598 . 1 1 49 49 LEU HD13 H 1 0.850 0.02 . 2 . . . . 49 LEU HD1 . 15406 1 599 . 1 1 49 49 LEU HD21 H 1 0.900 0.02 . 2 . . . . 49 LEU HD2 . 15406 1 600 . 1 1 49 49 LEU HD22 H 1 0.900 0.02 . 2 . . . . 49 LEU HD2 . 15406 1 601 . 1 1 49 49 LEU HD23 H 1 0.900 0.02 . 2 . . . . 49 LEU HD2 . 15406 1 602 . 1 1 49 49 LEU HG H 1 1.536 0.02 . 1 . . . . 49 LEU HG . 15406 1 603 . 1 1 49 49 LEU C C 13 177.15 0.1 . 1 . . . . 49 LEU C . 15406 1 604 . 1 1 49 49 LEU CA C 13 55.51 0.102 . 1 . . . . 49 LEU CA . 15406 1 605 . 1 1 49 49 LEU CB C 13 42.18 0.1 . 1 . . . . 49 LEU CB . 15406 1 606 . 1 1 49 49 LEU CD1 C 13 24.21 0.1 . 1 . . . . 49 LEU CD1 . 15406 1 607 . 1 1 49 49 LEU CD2 C 13 24.75 0.110 . 1 . . . . 49 LEU CD2 . 15406 1 608 . 1 1 49 49 LEU CG C 13 27.27 0.1 . 1 . . . . 49 LEU CG . 15406 1 609 . 1 1 49 49 LEU N N 15 122.89 0.1 . 1 . . . . 49 LEU N . 15406 1 610 . 1 1 50 50 ARG H H 1 8.387 0.02 . 1 . . . . 50 ARG H . 15406 1 611 . 1 1 50 50 ARG HA H 1 4.448 0.02 . 1 . . . . 50 ARG HA . 15406 1 612 . 1 1 50 50 ARG HB2 H 1 1.715 0.02 . 2 . . . . 50 ARG HB2 . 15406 1 613 . 1 1 50 50 ARG HB3 H 1 1.802 0.02 . 2 . . . . 50 ARG HB3 . 15406 1 614 . 1 1 50 50 ARG HD2 H 1 3.199 0.02 . 2 . . . . 50 ARG HD2 . 15406 1 615 . 1 1 50 50 ARG HD3 H 1 3.199 0.02 . 2 . . . . 50 ARG HD3 . 15406 1 616 . 1 1 50 50 ARG HG2 H 1 1.630 0.02 . 2 . . . . 50 ARG HG2 . 15406 1 617 . 1 1 50 50 ARG HG3 H 1 1.630 0.02 . 2 . . . . 50 ARG HG3 . 15406 1 618 . 1 1 50 50 ARG C C 13 175.83 0.1 . 1 . . . . 50 ARG C . 15406 1 619 . 1 1 50 50 ARG CA C 13 55.40 0.117 . 1 . . . . 50 ARG CA . 15406 1 620 . 1 1 50 50 ARG CB C 13 31.94 0.131 . 1 . . . . 50 ARG CB . 15406 1 621 . 1 1 50 50 ARG CD C 13 43.44 0.1 . 1 . . . . 50 ARG CD . 15406 1 622 . 1 1 50 50 ARG CG C 13 27.19 0.1 . 1 . . . . 50 ARG CG . 15406 1 623 . 1 1 50 50 ARG N N 15 124.67 0.144 . 1 . . . . 50 ARG N . 15406 1 624 . 1 1 51 51 ARG H H 1 8.531 0.02 . 1 . . . . 51 ARG H . 15406 1 625 . 1 1 51 51 ARG HA H 1 4.204 0.02 . 1 . . . . 51 ARG HA . 15406 1 626 . 1 1 51 51 ARG HB2 H 1 1.818 0.02 . 2 . . . . 51 ARG HB2 . 15406 1 627 . 1 1 51 51 ARG HB3 H 1 1.818 0.02 . 2 . . . . 51 ARG HB3 . 15406 1 628 . 1 1 51 51 ARG HD2 H 1 3.203 0.02 . 2 . . . . 51 ARG HD2 . 15406 1 629 . 1 1 51 51 ARG HD3 H 1 3.203 0.02 . 2 . . . . 51 ARG HD3 . 15406 1 630 . 1 1 51 51 ARG HG2 H 1 1.600 0.02 . 2 . . . . 51 ARG HG2 . 15406 1 631 . 1 1 51 51 ARG HG3 H 1 1.682 0.02 . 2 . . . . 51 ARG HG3 . 15406 1 632 . 1 1 51 51 ARG C C 13 177.24 0.1 . 1 . . . . 51 ARG C . 15406 1 633 . 1 1 51 51 ARG CA C 13 57.11 0.101 . 1 . . . . 51 ARG CA . 15406 1 634 . 1 1 51 51 ARG CB C 13 30.21 0.1 . 1 . . . . 51 ARG CB . 15406 1 635 . 1 1 51 51 ARG CD C 13 43.45 0.109 . 1 . . . . 51 ARG CD . 15406 1 636 . 1 1 51 51 ARG CG C 13 27.15 0.1 . 1 . . . . 51 ARG CG . 15406 1 637 . 1 1 51 51 ARG N N 15 123.27 0.1 . 1 . . . . 51 ARG N . 15406 1 638 . 1 1 52 52 GLY H H 1 8.772 0.023 . 1 . . . . 52 GLY H . 15406 1 639 . 1 1 52 52 GLY HA2 H 1 3.815 0.02 . 2 . . . . 52 GLY HA2 . 15406 1 640 . 1 1 52 52 GLY HA3 H 1 4.146 0.02 . 2 . . . . 52 GLY HA3 . 15406 1 641 . 1 1 52 52 GLY C C 13 174.41 0.1 . 1 . . . . 52 GLY C . 15406 1 642 . 1 1 52 52 GLY CA C 13 45.80 0.1 . 1 . . . . 52 GLY CA . 15406 1 643 . 1 1 52 52 GLY N N 15 112.45 0.1 . 1 . . . . 52 GLY N . 15406 1 644 . 1 1 53 53 MET H H 1 8.138 0.02 . 1 . . . . 53 MET H . 15406 1 645 . 1 1 53 53 MET HA H 1 4.699 0.02 . 1 . . . . 53 MET HA . 15406 1 646 . 1 1 53 53 MET HB2 H 1 2.062 0.02 . 2 . . . . 53 MET HB2 . 15406 1 647 . 1 1 53 53 MET HB3 H 1 2.193 0.039 . 2 . . . . 53 MET HB3 . 15406 1 648 . 1 1 53 53 MET HG2 H 1 2.562 0.023 . 2 . . . . 53 MET HG2 . 15406 1 649 . 1 1 53 53 MET HG3 H 1 2.626 0.02 . 2 . . . . 53 MET HG3 . 15406 1 650 . 1 1 53 53 MET C C 13 175.73 0.1 . 1 . . . . 53 MET C . 15406 1 651 . 1 1 53 53 MET CA C 13 54.76 0.135 . 1 . . . . 53 MET CA . 15406 1 652 . 1 1 53 53 MET CB C 13 33.66 0.119 . 1 . . . . 53 MET CB . 15406 1 653 . 1 1 53 53 MET CG C 13 32.49 0.1 . 1 . . . . 53 MET CG . 15406 1 654 . 1 1 53 53 MET N N 15 119.18 0.1 . 1 . . . . 53 MET N . 15406 1 655 . 1 1 54 54 ALA H H 1 8.281 0.021 . 1 . . . . 54 ALA H . 15406 1 656 . 1 1 54 54 ALA HA H 1 4.494 0.02 . 1 . . . . 54 ALA HA . 15406 1 657 . 1 1 54 54 ALA HB1 H 1 1.470 0.02 . 1 . . . . 54 ALA HB . 15406 1 658 . 1 1 54 54 ALA HB2 H 1 1.470 0.02 . 1 . . . . 54 ALA HB . 15406 1 659 . 1 1 54 54 ALA HB3 H 1 1.470 0.02 . 1 . . . . 54 ALA HB . 15406 1 660 . 1 1 54 54 ALA C C 13 176.74 0.1 . 1 . . . . 54 ALA C . 15406 1 661 . 1 1 54 54 ALA CA C 13 52.01 0.1 . 1 . . . . 54 ALA CA . 15406 1 662 . 1 1 54 54 ALA CB C 13 20.03 0.164 . 1 . . . . 54 ALA CB . 15406 1 663 . 1 1 54 54 ALA N N 15 124.56 0.116 . 1 . . . . 54 ALA N . 15406 1 664 . 1 1 55 55 THR H H 1 8.370 0.02 . 1 . . . . 55 THR H . 15406 1 665 . 1 1 55 55 THR HA H 1 3.995 0.02 . 1 . . . . 55 THR HA . 15406 1 666 . 1 1 55 55 THR HB H 1 3.940 0.02 . 1 . . . . 55 THR HB . 15406 1 667 . 1 1 55 55 THR HG21 H 1 0.441 0.02 . 2 . . . . 55 THR HG2 . 15406 1 668 . 1 1 55 55 THR HG22 H 1 0.441 0.02 . 2 . . . . 55 THR HG2 . 15406 1 669 . 1 1 55 55 THR HG23 H 1 0.441 0.02 . 2 . . . . 55 THR HG2 . 15406 1 670 . 1 1 55 55 THR C C 13 172.37 0.1 . 1 . . . . 55 THR C . 15406 1 671 . 1 1 55 55 THR CA C 13 63.71 0.1 . 1 . . . . 55 THR CA . 15406 1 672 . 1 1 55 55 THR CB C 13 69.64 0.121 . 1 . . . . 55 THR CB . 15406 1 673 . 1 1 55 55 THR CG2 C 13 22.10 0.140 . 1 . . . . 55 THR CG2 . 15406 1 674 . 1 1 55 55 THR N N 15 118.04 0.1 . 1 . . . . 55 THR N . 15406 1 675 . 1 1 56 56 TYR H H 1 8.361 0.02 . 1 . . . . 56 TYR H . 15406 1 676 . 1 1 56 56 TYR HA H 1 4.632 0.02 . 1 . . . . 56 TYR HA . 15406 1 677 . 1 1 56 56 TYR HB2 H 1 2.750 0.02 . 2 . . . . 56 TYR HB2 . 15406 1 678 . 1 1 56 56 TYR HB3 H 1 2.750 0.02 . 2 . . . . 56 TYR HB3 . 15406 1 679 . 1 1 56 56 TYR HD1 H 1 6.993 0.02 . 2 . . . . 56 TYR HD1 . 15406 1 680 . 1 1 56 56 TYR HD2 H 1 6.993 0.02 . 2 . . . . 56 TYR HD2 . 15406 1 681 . 1 1 56 56 TYR HE1 H 1 6.813 0.02 . 2 . . . . 56 TYR HE1 . 15406 1 682 . 1 1 56 56 TYR HE2 H 1 6.813 0.02 . 2 . . . . 56 TYR HE2 . 15406 1 683 . 1 1 56 56 TYR C C 13 173.05 0.1 . 1 . . . . 56 TYR C . 15406 1 684 . 1 1 56 56 TYR CA C 13 57.30 0.107 . 1 . . . . 56 TYR CA . 15406 1 685 . 1 1 56 56 TYR CB C 13 41.82 0.105 . 1 . . . . 56 TYR CB . 15406 1 686 . 1 1 56 56 TYR CD1 C 13 133.23 0.1 . 2 . . . . 56 TYR CD1 . 15406 1 687 . 1 1 56 56 TYR CD2 C 13 133.23 0.1 . 2 . . . . 56 TYR CD2 . 15406 1 688 . 1 1 56 56 TYR CE1 C 13 118.04 0.1 . 2 . . . . 56 TYR CE1 . 15406 1 689 . 1 1 56 56 TYR CE2 C 13 118.04 0.1 . 2 . . . . 56 TYR CE2 . 15406 1 690 . 1 1 56 56 TYR N N 15 126.94 0.1 . 1 . . . . 56 TYR N . 15406 1 691 . 1 1 57 57 TRP H H 1 8.517 0.02 . 1 . . . . 57 TRP H . 15406 1 692 . 1 1 57 57 TRP HA H 1 5.133 0.02 . 1 . . . . 57 TRP HA . 15406 1 693 . 1 1 57 57 TRP HB2 H 1 2.878 0.02 . 2 . . . . 57 TRP HB2 . 15406 1 694 . 1 1 57 57 TRP HB3 H 1 2.878 0.02 . 2 . . . . 57 TRP HB3 . 15406 1 695 . 1 1 57 57 TRP HD1 H 1 7.132 0.02 . 2 . . . . 57 TRP HD1 . 15406 1 696 . 1 1 57 57 TRP HE1 H 1 10.134 0.02 . 2 . . . . 57 TRP HE1 . 15406 1 697 . 1 1 57 57 TRP HE3 H 1 7.093 0.02 . 2 . . . . 57 TRP HE3 . 15406 1 698 . 1 1 57 57 TRP HH2 H 1 6.873 0.02 . 2 . . . . 57 TRP HH2 . 15406 1 699 . 1 1 57 57 TRP HZ2 H 1 7.206 0.02 . 2 . . . . 57 TRP HZ2 . 15406 1 700 . 1 1 57 57 TRP HZ3 H 1 6.632 0.02 . 2 . . . . 57 TRP HZ3 . 15406 1 701 . 1 1 57 57 TRP C C 13 174.94 0.1 . 1 . . . . 57 TRP C . 15406 1 702 . 1 1 57 57 TRP CA C 13 55.27 0.123 . 1 . . . . 57 TRP CA . 15406 1 703 . 1 1 57 57 TRP CB C 13 31.65 0.100 . 1 . . . . 57 TRP CB . 15406 1 704 . 1 1 57 57 TRP CD1 C 13 127.83 0.1 . 1 . . . . 57 TRP CD1 . 15406 1 705 . 1 1 57 57 TRP CE3 C 13 119.97 0.1 . 1 . . . . 57 TRP CE3 . 15406 1 706 . 1 1 57 57 TRP CH2 C 13 123.42 0.1 . 1 . . . . 57 TRP CH2 . 15406 1 707 . 1 1 57 57 TRP CZ2 C 13 113.94 0.1 . 1 . . . . 57 TRP CZ2 . 15406 1 708 . 1 1 57 57 TRP CZ3 C 13 121.50 0.1 . 1 . . . . 57 TRP CZ3 . 15406 1 709 . 1 1 57 57 TRP N N 15 124.52 0.1 . 1 . . . . 57 TRP N . 15406 1 710 . 1 1 57 57 TRP NE1 N 15 112.12 0.1 . 1 . . . . 57 TRP NE1 . 15406 1 711 . 1 1 58 58 PHE H H 1 8.864 0.02 . 1 . . . . 58 PHE H . 15406 1 712 . 1 1 58 58 PHE HA H 1 5.184 0.02 . 1 . . . . 58 PHE HA . 15406 1 713 . 1 1 58 58 PHE HB2 H 1 2.955 0.02 . 2 . . . . 58 PHE HB2 . 15406 1 714 . 1 1 58 58 PHE HB3 H 1 3.384 0.02 . 2 . . . . 58 PHE HB3 . 15406 1 715 . 1 1 58 58 PHE HD1 H 1 7.187 0.02 . 2 . . . . 58 PHE HD1 . 15406 1 716 . 1 1 58 58 PHE HD2 H 1 7.187 0.02 . 2 . . . . 58 PHE HD2 . 15406 1 717 . 1 1 58 58 PHE HE1 H 1 7.171 0.02 . 2 . . . . 58 PHE HE1 . 15406 1 718 . 1 1 58 58 PHE HE2 H 1 7.171 0.02 . 2 . . . . 58 PHE HE2 . 15406 1 719 . 1 1 58 58 PHE HZ H 1 7.140 0.02 . 1 . . . . 58 PHE HZ . 15406 1 720 . 1 1 58 58 PHE C C 13 175.35 0.1 . 1 . . . . 58 PHE C . 15406 1 721 . 1 1 58 58 PHE CA C 13 55.80 0.115 . 1 . . . . 58 PHE CA . 15406 1 722 . 1 1 58 58 PHE CB C 13 42.00 0.120 . 1 . . . . 58 PHE CB . 15406 1 723 . 1 1 58 58 PHE CD1 C 13 133.07 0.1 . 2 . . . . 58 PHE CD1 . 15406 1 724 . 1 1 58 58 PHE CD2 C 13 133.07 0.1 . 2 . . . . 58 PHE CD2 . 15406 1 725 . 1 1 58 58 PHE CE1 C 13 131.08 0.143 . 2 . . . . 58 PHE CE1 . 15406 1 726 . 1 1 58 58 PHE CE2 C 13 131.08 0.143 . 2 . . . . 58 PHE CE2 . 15406 1 727 . 1 1 58 58 PHE CZ C 13 129.49 0.1 . 1 . . . . 58 PHE CZ . 15406 1 728 . 1 1 58 58 PHE N N 15 114.65 0.107 . 1 . . . . 58 PHE N . 15406 1 729 . 1 1 59 59 LEU H H 1 9.161 0.02 . 1 . . . . 59 LEU H . 15406 1 730 . 1 1 59 59 LEU HA H 1 4.419 0.02 . 1 . . . . 59 LEU HA . 15406 1 731 . 1 1 59 59 LEU HB2 H 1 1.683 0.02 . 2 . . . . 59 LEU HB2 . 15406 1 732 . 1 1 59 59 LEU HB3 H 1 1.746 0.02 . 2 . . . . 59 LEU HB3 . 15406 1 733 . 1 1 59 59 LEU HD11 H 1 1.000 0.02 . 2 . . . . 59 LEU HD1 . 15406 1 734 . 1 1 59 59 LEU HD12 H 1 1.000 0.02 . 2 . . . . 59 LEU HD1 . 15406 1 735 . 1 1 59 59 LEU HD13 H 1 1.000 0.02 . 2 . . . . 59 LEU HD1 . 15406 1 736 . 1 1 59 59 LEU HD21 H 1 1.006 0.02 . 2 . . . . 59 LEU HD2 . 15406 1 737 . 1 1 59 59 LEU HD22 H 1 1.006 0.02 . 2 . . . . 59 LEU HD2 . 15406 1 738 . 1 1 59 59 LEU HD23 H 1 1.006 0.02 . 2 . . . . 59 LEU HD2 . 15406 1 739 . 1 1 59 59 LEU HG H 1 1.753 0.02 . 1 . . . . 59 LEU HG . 15406 1 740 . 1 1 59 59 LEU C C 13 177.03 0.1 . 1 . . . . 59 LEU C . 15406 1 741 . 1 1 59 59 LEU CA C 13 55.81 0.1 . 1 . . . . 59 LEU CA . 15406 1 742 . 1 1 59 59 LEU CB C 13 42.66 0.1 . 1 . . . . 59 LEU CB . 15406 1 743 . 1 1 59 59 LEU CD1 C 13 24.76 0.145 . 1 . . . . 59 LEU CD1 . 15406 1 744 . 1 1 59 59 LEU CD2 C 13 25.43 0.134 . 1 . . . . 59 LEU CD2 . 15406 1 745 . 1 1 59 59 LEU CG C 13 27.19 0.1 . 1 . . . . 59 LEU CG . 15406 1 746 . 1 1 59 59 LEU N N 15 121.01 0.1 . 1 . . . . 59 LEU N . 15406 1 747 . 1 1 60 60 LYS H H 1 7.732 0.02 . 1 . . . . 60 LYS H . 15406 1 748 . 1 1 60 60 LYS HA H 1 4.323 0.02 . 1 . . . . 60 LYS HA . 15406 1 749 . 1 1 60 60 LYS HB2 H 1 1.246 0.02 . 2 . . . . 60 LYS HB2 . 15406 1 750 . 1 1 60 60 LYS HB3 H 1 1.759 0.02 . 2 . . . . 60 LYS HB3 . 15406 1 751 . 1 1 60 60 LYS HD2 H 1 1.606 0.02 . 2 . . . . 60 LYS HD2 . 15406 1 752 . 1 1 60 60 LYS HD3 H 1 1.606 0.02 . 2 . . . . 60 LYS HD3 . 15406 1 753 . 1 1 60 60 LYS HE2 H 1 3.003 0.02 . 2 . . . . 60 LYS HE2 . 15406 1 754 . 1 1 60 60 LYS HE3 H 1 3.003 0.02 . 2 . . . . 60 LYS HE3 . 15406 1 755 . 1 1 60 60 LYS HG2 H 1 1.382 0.02 . 2 . . . . 60 LYS HG2 . 15406 1 756 . 1 1 60 60 LYS HG3 H 1 1.382 0.02 . 2 . . . . 60 LYS HG3 . 15406 1 757 . 1 1 60 60 LYS C C 13 176.12 0.1 . 1 . . . . 60 LYS C . 15406 1 758 . 1 1 60 60 LYS CA C 13 56.57 0.1 . 1 . . . . 60 LYS CA . 15406 1 759 . 1 1 60 60 LYS CB C 13 33.72 0.107 . 1 . . . . 60 LYS CB . 15406 1 760 . 1 1 60 60 LYS CD C 13 29.28 0.1 . 1 . . . . 60 LYS CD . 15406 1 761 . 1 1 60 60 LYS CE C 13 42.10 0.116 . 1 . . . . 60 LYS CE . 15406 1 762 . 1 1 60 60 LYS CG C 13 25.11 0.1 . 1 . . . . 60 LYS CG . 15406 1 763 . 1 1 60 60 LYS N N 15 123.88 0.1 . 1 . . . . 60 LYS N . 15406 1 764 . 1 1 61 61 GLY H H 1 8.452 0.02 . 1 . . . . 61 GLY H . 15406 1 765 . 1 1 61 61 GLY HA2 H 1 4.052 0.02 . 2 . . . . 61 GLY HA2 . 15406 1 766 . 1 1 61 61 GLY HA3 H 1 4.052 0.02 . 2 . . . . 61 GLY HA3 . 15406 1 767 . 1 1 61 61 GLY C C 13 173.75 0.1 . 1 . . . . 61 GLY C . 15406 1 768 . 1 1 61 61 GLY CA C 13 45.11 0.1 . 1 . . . . 61 GLY CA . 15406 1 769 . 1 1 61 61 GLY N N 15 112.10 0.1 . 1 . . . . 61 GLY N . 15406 1 770 . 1 1 62 62 GLU H H 1 8.402 0.02 . 1 . . . . 62 GLU H . 15406 1 771 . 1 1 62 62 GLU HA H 1 4.341 0.02 . 1 . . . . 62 GLU HA . 15406 1 772 . 1 1 62 62 GLU HB2 H 1 1.991 0.036 . 2 . . . . 62 GLU HB2 . 15406 1 773 . 1 1 62 62 GLU HB3 H 1 2.087 0.02 . 2 . . . . 62 GLU HB3 . 15406 1 774 . 1 1 62 62 GLU HG2 H 1 2.316 0.02 . 2 . . . . 62 GLU HG2 . 15406 1 775 . 1 1 62 62 GLU HG3 H 1 2.316 0.02 . 2 . . . . 62 GLU HG3 . 15406 1 776 . 1 1 62 62 GLU C C 13 176.74 0.1 . 1 . . . . 62 GLU C . 15406 1 777 . 1 1 62 62 GLU CA C 13 56.45 0.119 . 1 . . . . 62 GLU CA . 15406 1 778 . 1 1 62 62 GLU CB C 13 30.59 0.133 . 1 . . . . 62 GLU CB . 15406 1 779 . 1 1 62 62 GLU CG C 13 36.23 0.106 . 1 . . . . 62 GLU CG . 15406 1 780 . 1 1 62 62 GLU N N 15 120.79 0.1 . 1 . . . . 62 GLU N . 15406 1 781 . 1 1 63 63 LYS H H 1 8.478 0.02 . 1 . . . . 63 LYS H . 15406 1 782 . 1 1 63 63 LYS HA H 1 4.316 0.02 . 1 . . . . 63 LYS HA . 15406 1 783 . 1 1 63 63 LYS HB2 H 1 1.793 0.02 . 2 . . . . 63 LYS HB2 . 15406 1 784 . 1 1 63 63 LYS HB3 H 1 1.849 0.02 . 2 . . . . 63 LYS HB3 . 15406 1 785 . 1 1 63 63 LYS HD2 H 1 1.715 0.02 . 2 . . . . 63 LYS HD2 . 15406 1 786 . 1 1 63 63 LYS HD3 H 1 1.715 0.02 . 2 . . . . 63 LYS HD3 . 15406 1 787 . 1 1 63 63 LYS HE2 H 1 3.036 0.02 . 2 . . . . 63 LYS HE2 . 15406 1 788 . 1 1 63 63 LYS HE3 H 1 3.036 0.02 . 2 . . . . 63 LYS HE3 . 15406 1 789 . 1 1 63 63 LYS HG2 H 1 1.432 0.02 . 2 . . . . 63 LYS HG2 . 15406 1 790 . 1 1 63 63 LYS HG3 H 1 1.480 0.02 . 2 . . . . 63 LYS HG3 . 15406 1 791 . 1 1 63 63 LYS C C 13 176.67 0.1 . 1 . . . . 63 LYS C . 15406 1 792 . 1 1 63 63 LYS CA C 13 56.45 0.112 . 1 . . . . 63 LYS CA . 15406 1 793 . 1 1 63 63 LYS CB C 13 32.97 0.106 . 1 . . . . 63 LYS CB . 15406 1 794 . 1 1 63 63 LYS CD C 13 29.21 0.1 . 1 . . . . 63 LYS CD . 15406 1 795 . 1 1 63 63 LYS CE C 13 42.27 0.1 . 1 . . . . 63 LYS CE . 15406 1 796 . 1 1 63 63 LYS CG C 13 25.01 0.1 . 1 . . . . 63 LYS CG . 15406 1 797 . 1 1 63 63 LYS N N 15 122.45 0.1 . 1 . . . . 63 LYS N . 15406 1 798 . 1 1 64 64 GLN H H 1 8.437 0.02 . 1 . . . . 64 GLN H . 15406 1 799 . 1 1 64 64 GLN HA H 1 4.325 0.02 . 1 . . . . 64 GLN HA . 15406 1 800 . 1 1 64 64 GLN HB2 H 1 1.978 0.02 . 2 . . . . 64 GLN HB2 . 15406 1 801 . 1 1 64 64 GLN HB3 H 1 2.123 0.02 . 2 . . . . 64 GLN HB3 . 15406 1 802 . 1 1 64 64 GLN HG2 H 1 2.378 0.02 . 2 . . . . 64 GLN HG2 . 15406 1 803 . 1 1 64 64 GLN HG3 H 1 2.378 0.02 . 2 . . . . 64 GLN HG3 . 15406 1 804 . 1 1 64 64 GLN C C 13 175.79 0.1 . 1 . . . . 64 GLN C . 15406 1 805 . 1 1 64 64 GLN CA C 13 55.76 0.1 . 1 . . . . 64 GLN CA . 15406 1 806 . 1 1 64 64 GLN CB C 13 29.57 0.101 . 1 . . . . 64 GLN CB . 15406 1 807 . 1 1 64 64 GLN CG C 13 33.87 0.1 . 1 . . . . 64 GLN CG . 15406 1 808 . 1 1 64 64 GLN N N 15 121.65 0.1 . 1 . . . . 64 GLN N . 15406 1 809 . 1 1 65 65 ALA H H 1 8.395 0.02 . 1 . . . . 65 ALA H . 15406 1 810 . 1 1 65 65 ALA HA H 1 4.326 0.02 . 1 . . . . 65 ALA HA . 15406 1 811 . 1 1 65 65 ALA HB1 H 1 1.417 0.02 . 1 . . . . 65 ALA HB . 15406 1 812 . 1 1 65 65 ALA HB2 H 1 1.417 0.02 . 1 . . . . 65 ALA HB . 15406 1 813 . 1 1 65 65 ALA HB3 H 1 1.417 0.02 . 1 . . . . 65 ALA HB . 15406 1 814 . 1 1 65 65 ALA C C 13 178.28 0.1 . 1 . . . . 65 ALA C . 15406 1 815 . 1 1 65 65 ALA CA C 13 52.77 0.103 . 1 . . . . 65 ALA CA . 15406 1 816 . 1 1 65 65 ALA CB C 13 19.41 0.162 . 1 . . . . 65 ALA CB . 15406 1 817 . 1 1 65 65 ALA N N 15 125.68 0.1 . 1 . . . . 65 ALA N . 15406 1 818 . 1 1 66 66 GLY H H 1 8.413 0.02 . 1 . . . . 66 GLY H . 15406 1 819 . 1 1 66 66 GLY HA2 H 1 3.972 0.02 . 2 . . . . 66 GLY HA2 . 15406 1 820 . 1 1 66 66 GLY HA3 H 1 3.972 0.02 . 2 . . . . 66 GLY HA3 . 15406 1 821 . 1 1 66 66 GLY C C 13 174.30 0.1 . 1 . . . . 66 GLY C . 15406 1 822 . 1 1 66 66 GLY CA C 13 45.46 0.1 . 1 . . . . 66 GLY CA . 15406 1 823 . 1 1 66 66 GLY N N 15 126.82 0.104 . 1 . . . . 66 GLY N . 15406 1 824 . 1 1 67 67 GLN H H 1 8.223 0.02 . 1 . . . . 67 GLN H . 15406 1 825 . 1 1 67 67 GLN HA H 1 4.402 0.02 . 1 . . . . 67 GLN HA . 15406 1 826 . 1 1 67 67 GLN HB2 H 1 2.015 0.02 . 2 . . . . 67 GLN HB2 . 15406 1 827 . 1 1 67 67 GLN HB3 H 1 2.164 0.02 . 2 . . . . 67 GLN HB3 . 15406 1 828 . 1 1 67 67 GLN HG2 H 1 2.375 0.02 . 2 . . . . 67 GLN HG2 . 15406 1 829 . 1 1 67 67 GLN HG3 H 1 2.375 0.02 . 2 . . . . 67 GLN HG3 . 15406 1 830 . 1 1 67 67 GLN C C 13 176.25 0.1 . 1 . . . . 67 GLN C . 15406 1 831 . 1 1 67 67 GLN CA C 13 55.79 0.1 . 1 . . . . 67 GLN CA . 15406 1 832 . 1 1 67 67 GLN CB C 13 29.68 0.1 . 1 . . . . 67 GLN CB . 15406 1 833 . 1 1 67 67 GLN CG C 13 33.88 0.1 . 1 . . . . 67 GLN CG . 15406 1 834 . 1 1 67 67 GLN N N 15 119.72 0.1 . 1 . . . . 67 GLN N . 15406 1 835 . 1 1 68 68 SER H H 1 8.468 0.02 . 1 . . . . 68 SER H . 15406 1 836 . 1 1 68 68 SER HA H 1 4.509 0.02 . 1 . . . . 68 SER HA . 15406 1 837 . 1 1 68 68 SER HB2 H 1 3.914 0.02 . 2 . . . . 68 SER HB2 . 15406 1 838 . 1 1 68 68 SER HB3 H 1 3.914 0.02 . 2 . . . . 68 SER HB3 . 15406 1 839 . 1 1 68 68 SER C C 13 174.59 0.1 . 1 . . . . 68 SER C . 15406 1 840 . 1 1 68 68 SER CA C 13 58.49 0.1 . 1 . . . . 68 SER CA . 15406 1 841 . 1 1 68 68 SER CB C 13 63.78 0.1 . 1 . . . . 68 SER CB . 15406 1 842 . 1 1 68 68 SER N N 15 117.14 0.1 . 1 . . . . 68 SER N . 15406 1 843 . 1 1 69 69 CYS H H 1 8.440 0.02 . 1 . . . . 69 CYS H . 15406 1 844 . 1 1 69 69 CYS HA H 1 4.609 0.02 . 1 . . . . 69 CYS HA . 15406 1 845 . 1 1 69 69 CYS HB2 H 1 2.978 0.02 . 2 . . . . 69 CYS HB2 . 15406 1 846 . 1 1 69 69 CYS HB3 H 1 2.978 0.02 . 2 . . . . 69 CYS HB3 . 15406 1 847 . 1 1 69 69 CYS C C 13 174.63 0.1 . 1 . . . . 69 CYS C . 15406 1 848 . 1 1 69 69 CYS CA C 13 58.49 0.1 . 1 . . . . 69 CYS CA . 15406 1 849 . 1 1 69 69 CYS CB C 13 28.22 0.1 . 1 . . . . 69 CYS CB . 15406 1 850 . 1 1 69 69 CYS N N 15 120.93 0.1 . 1 . . . . 69 CYS N . 15406 1 851 . 1 1 70 70 SER H H 1 8.452 0.02 . 1 . . . . 70 SER H . 15406 1 852 . 1 1 70 70 SER HA H 1 4.536 0.02 . 1 . . . . 70 SER HA . 15406 1 853 . 1 1 70 70 SER HB2 H 1 3.928 0.02 . 2 . . . . 70 SER HB2 . 15406 1 854 . 1 1 70 70 SER HB3 H 1 3.928 0.02 . 2 . . . . 70 SER HB3 . 15406 1 855 . 1 1 70 70 SER C C 13 174.70 0.1 . 1 . . . . 70 SER C . 15406 1 856 . 1 1 70 70 SER CA C 13 58.54 0.1 . 1 . . . . 70 SER CA . 15406 1 857 . 1 1 70 70 SER CB C 13 63.86 0.1 . 1 . . . . 70 SER CB . 15406 1 858 . 1 1 70 70 SER N N 15 118.22 0.1 . 1 . . . . 70 SER N . 15406 1 859 . 1 1 71 71 SER H H 1 8.397 0.02 . 1 . . . . 71 SER H . 15406 1 860 . 1 1 71 71 SER HA H 1 4.550 0.02 . 1 . . . . 71 SER HA . 15406 1 861 . 1 1 71 71 SER HB2 H 1 3.912 0.02 . 2 . . . . 71 SER HB2 . 15406 1 862 . 1 1 71 71 SER HB3 H 1 3.964 0.02 . 2 . . . . 71 SER HB3 . 15406 1 863 . 1 1 71 71 SER C C 13 174.99 0.1 . 1 . . . . 71 SER C . 15406 1 864 . 1 1 71 71 SER CA C 13 58.64 0.1 . 1 . . . . 71 SER CA . 15406 1 865 . 1 1 71 71 SER CB C 13 63.77 0.1 . 1 . . . . 71 SER CB . 15406 1 866 . 1 1 71 71 SER N N 15 117.92 0.1 . 1 . . . . 71 SER N . 15406 1 867 . 1 1 72 72 THR H H 1 8.230 0.02 . 1 . . . . 72 THR H . 15406 1 868 . 1 1 72 72 THR HA H 1 4.426 0.02 . 1 . . . . 72 THR HA . 15406 1 869 . 1 1 72 72 THR HB H 1 4.287 0.02 . 1 . . . . 72 THR HB . 15406 1 870 . 1 1 72 72 THR HG21 H 1 1.223 0.02 . 2 . . . . 72 THR HG2 . 15406 1 871 . 1 1 72 72 THR HG22 H 1 1.223 0.02 . 2 . . . . 72 THR HG2 . 15406 1 872 . 1 1 72 72 THR HG23 H 1 1.223 0.02 . 2 . . . . 72 THR HG2 . 15406 1 873 . 1 1 72 72 THR C C 13 174.92 0.1 . 1 . . . . 72 THR C . 15406 1 874 . 1 1 72 72 THR CA C 13 62.18 0.1 . 1 . . . . 72 THR CA . 15406 1 875 . 1 1 72 72 THR CB C 13 69.62 0.118 . 1 . . . . 72 THR CB . 15406 1 876 . 1 1 72 72 THR CG2 C 13 21.63 0.1 . 1 . . . . 72 THR CG2 . 15406 1 877 . 1 1 72 72 THR N N 15 115.79 0.1 . 1 . . . . 72 THR N . 15406 1 878 . 1 1 73 73 THR H H 1 8.115 0.02 . 1 . . . . 73 THR H . 15406 1 879 . 1 1 73 73 THR HA H 1 4.334 0.02 . 1 . . . . 73 THR HA . 15406 1 880 . 1 1 73 73 THR HB H 1 4.235 0.02 . 1 . . . . 73 THR HB . 15406 1 881 . 1 1 73 73 THR HG21 H 1 1.210 0.02 . 2 . . . . 73 THR HG2 . 15406 1 882 . 1 1 73 73 THR HG22 H 1 1.210 0.02 . 2 . . . . 73 THR HG2 . 15406 1 883 . 1 1 73 73 THR HG23 H 1 1.210 0.02 . 2 . . . . 73 THR HG2 . 15406 1 884 . 1 1 73 73 THR C C 13 174.52 0.1 . 1 . . . . 73 THR C . 15406 1 885 . 1 1 73 73 THR CA C 13 62.16 0.1 . 1 . . . . 73 THR CA . 15406 1 886 . 1 1 73 73 THR CB C 13 69.66 0.1 . 1 . . . . 73 THR CB . 15406 1 887 . 1 1 73 73 THR CG2 C 13 21.75 0.130 . 1 . . . . 73 THR CG2 . 15406 1 888 . 1 1 73 73 THR N N 15 116.60 0.1 . 1 . . . . 73 THR N . 15406 1 889 . 1 1 74 74 LEU H H 1 8.175 0.02 . 1 . . . . 74 LEU H . 15406 1 890 . 1 1 74 74 LEU HA H 1 4.312 0.02 . 1 . . . . 74 LEU HA . 15406 1 891 . 1 1 74 74 LEU HB2 H 1 1.539 0.02 . 2 . . . . 74 LEU HB2 . 15406 1 892 . 1 1 74 74 LEU HB3 H 1 1.608 0.02 . 2 . . . . 74 LEU HB3 . 15406 1 893 . 1 1 74 74 LEU HD11 H 1 0.857 0.02 . 2 . . . . 74 LEU HD1 . 15406 1 894 . 1 1 74 74 LEU HD12 H 1 0.857 0.02 . 2 . . . . 74 LEU HD1 . 15406 1 895 . 1 1 74 74 LEU HD13 H 1 0.857 0.02 . 2 . . . . 74 LEU HD1 . 15406 1 896 . 1 1 74 74 LEU HD21 H 1 0.918 0.02 . 2 . . . . 74 LEU HD2 . 15406 1 897 . 1 1 74 74 LEU HD22 H 1 0.918 0.02 . 2 . . . . 74 LEU HD2 . 15406 1 898 . 1 1 74 74 LEU HD23 H 1 0.918 0.02 . 2 . . . . 74 LEU HD2 . 15406 1 899 . 1 1 74 74 LEU HG H 1 1.593 0.02 . 1 . . . . 74 LEU HG . 15406 1 900 . 1 1 74 74 LEU C C 13 177.18 0.1 . 1 . . . . 74 LEU C . 15406 1 901 . 1 1 74 74 LEU CA C 13 55.36 0.1 . 1 . . . . 74 LEU CA . 15406 1 902 . 1 1 74 74 LEU CB C 13 42.38 0.1 . 1 . . . . 74 LEU CB . 15406 1 903 . 1 1 74 74 LEU CD1 C 13 23.57 0.1 . 1 . . . . 74 LEU CD1 . 15406 1 904 . 1 1 74 74 LEU CD2 C 13 24.98 0.1 . 1 . . . . 74 LEU CD2 . 15406 1 905 . 1 1 74 74 LEU CG C 13 27.06 0.110 . 1 . . . . 74 LEU CG . 15406 1 906 . 1 1 74 74 LEU N N 15 124.30 0.1 . 1 . . . . 74 LEU N . 15406 1 907 . 1 1 75 75 GLU H H 1 8.225 0.02 . 1 . . . . 75 GLU H . 15406 1 908 . 1 1 75 75 GLU HA H 1 4.199 0.02 . 1 . . . . 75 GLU HA . 15406 1 909 . 1 1 75 75 GLU HB2 H 1 1.898 0.02 . 2 . . . . 75 GLU HB2 . 15406 1 910 . 1 1 75 75 GLU HB3 H 1 1.898 0.02 . 2 . . . . 75 GLU HB3 . 15406 1 911 . 1 1 75 75 GLU HG2 H 1 2.170 0.02 . 2 . . . . 75 GLU HG2 . 15406 1 912 . 1 1 75 75 GLU HG3 H 1 2.207 0.02 . 2 . . . . 75 GLU HG3 . 15406 1 913 . 1 1 75 75 GLU C C 13 176.19 0.1 . 1 . . . . 75 GLU C . 15406 1 914 . 1 1 75 75 GLU CA C 13 56.53 0.1 . 1 . . . . 75 GLU CA . 15406 1 915 . 1 1 75 75 GLU CB C 13 30.38 0.1 . 1 . . . . 75 GLU CB . 15406 1 916 . 1 1 75 75 GLU CG C 13 36.12 0.1 . 1 . . . . 75 GLU CG . 15406 1 917 . 1 1 75 75 GLU N N 15 121.22 0.1 . 1 . . . . 75 GLU N . 15406 1 918 . 1 1 76 76 HIS H H 1 8.390 0.02 . 1 . . . . 76 HIS H . 15406 1 919 . 1 1 76 76 HIS HA H 1 4.653 0.02 . 1 . . . . 76 HIS HA . 15406 1 920 . 1 1 76 76 HIS HB2 H 1 3.204 0.02 . 2 . . . . 76 HIS HB2 . 15406 1 921 . 1 1 76 76 HIS HB3 H 1 3.204 0.02 . 2 . . . . 76 HIS HB3 . 15406 1 922 . 1 1 76 76 HIS C C 13 173.75 0.1 . 1 . . . . 76 HIS C . 15406 1 923 . 1 1 76 76 HIS CA C 13 55.61 0.1 . 1 . . . . 76 HIS CA . 15406 1 924 . 1 1 76 76 HIS CB C 13 29.62 0.1 . 1 . . . . 76 HIS CB . 15406 1 925 . 1 1 76 76 HIS N N 15 119.51 0.1 . 1 . . . . 76 HIS N . 15406 1 926 . 1 1 77 77 HIS H H 1 8.308 0.02 . 1 . . . . 77 HIS H . 15406 1 927 . 1 1 77 77 HIS HA H 1 4.468 0.02 . 1 . . . . 77 HIS HA . 15406 1 928 . 1 1 77 77 HIS CA C 13 57.19 0.1 . 1 . . . . 77 HIS CA . 15406 1 929 . 1 1 77 77 HIS CB C 13 29.93 0.1 . 1 . . . . 77 HIS CB . 15406 1 930 . 1 1 77 77 HIS N N 15 125.39 0.1 . 1 . . . . 77 HIS N . 15406 1 stop_ save_