data_16563 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16563 _Entry.Title ; Solution NMR structure of Lin0431 protein from Listeria innocua. Northeast Structural Genomics Consortium Target LkR112 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-18 _Entry.Accession_date 2009-10-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yuefeng Tang . . . 16563 2 Gaetano Montelione . T. . 16563 3 Colleen Ciccosanti . . . 16563 4 Dan Lee . . . 16563 5 Haleema Janjua . . . 16563 6 John Everett . K. . 16563 7 G.V.T. Swapna . . . 16563 8 Thomas Acton . B. . 16563 9 Burkhard Rose . . . 16563 10 Rong Xiao . . . 16563 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16563 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 474 16563 '15N chemical shifts' 117 16563 '1H chemical shifts' 781 16563 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-03 2009-10-18 update BMRB 'edit assembly name' 16563 1 . . 2009-11-23 2009-10-18 original author 'original release' 16563 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KPP 'BMRB Entry Tracking System' 16563 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16563 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of Lin0431 protein from Listeria innocua. Northeast Structural Genomics Consortium Target LkR112' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuefeng Tang . . . 16563 1 2 Gaetano Montelione . . . 16563 1 3 Colleen Ciccosanti . . . 16563 1 4 Dan Lee . . . 16563 1 5 Haleema Janjua . . . 16563 1 6 John Everett . . . 16563 1 7 G.V.T. Swapna . . . 16563 1 8 Thomas Acton . . . 16563 1 9 Burkhard Rose . . . 16563 1 10 Rong Xiao . . . 16563 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16563 _Assembly.ID 1 _Assembly.Name Lin0431 _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 LkR112 1 $LkR112 A . yes native no no . . . 16563 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LkR112 _Entity.Sf_category entity _Entity.Sf_framecode LkR112 _Entity.Entry_ID 16563 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LkR112 _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 ; MKNTGDEVVAIISQNGKVIR EIPLTGHKGNEQFTIKGKGA QYNLMEVDGERIRIKEDNSP DQVGVKMGWKSKAGDTIVCL PHKVFVEIKSTQKDSKDPDT DLIVPNLEHHHHHH ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12784.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'residue 106 to 114 represent a non native purification tag NLEHHHHHH' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KPP . "Solution Nmr Structure Of Lin0431 Protein From Listeria Innocua. Northeast Structural Genomics Consortium Target Lkr112" . . . . . 100.00 114 100.00 100.00 2.21e-76 . . . . 16563 1 2 no EMBL CAC95664 . "lin0431 [Listeria innocua Clip11262]" . . . . . 92.11 140 100.00 100.00 3.91e-69 . . . . 16563 1 3 no GB EFR91908 . "putative secreted protein [Listeria innocua FSL S4-378]" . . . . . 92.11 140 100.00 100.00 3.91e-69 . . . . 16563 1 4 no GB EFR94989 . "putative secreted protein [Listeria innocua FSL J1-023]" . . . . . 92.11 140 100.00 100.00 3.91e-69 . . . . 16563 1 5 no GB EHN61892 . "hypothetical protein HMPREF0557_01051 [Listeria innocua ATCC 33091]" . . . . . 92.11 136 100.00 100.00 4.57e-69 . . . . 16563 1 6 no GB KJR52371 . "hypothetical protein VC38_10020 [Listeria innocua]" . . . . . 92.11 140 100.00 100.00 3.91e-69 . . . . 16563 1 7 no GB KJR53096 . "hypothetical protein VC41_08950 [Listeria innocua]" . . . . . 92.11 140 100.00 100.00 3.91e-69 . . . . 16563 1 8 no REF WP_003760402 . "hypothetical protein [Listeria innocua]" . . . . . 92.11 140 100.00 100.00 3.91e-69 . . . . 16563 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 . 16563 1 2 . LYS . 16563 1 3 . ASN . 16563 1 4 . THR . 16563 1 5 . GLY . 16563 1 6 . ASP . 16563 1 7 . GLU . 16563 1 8 . VAL . 16563 1 9 . VAL . 16563 1 10 . ALA . 16563 1 11 . ILE . 16563 1 12 . ILE . 16563 1 13 . SER . 16563 1 14 . GLN . 16563 1 15 . ASN . 16563 1 16 . GLY . 16563 1 17 . LYS . 16563 1 18 . VAL . 16563 1 19 . ILE . 16563 1 20 . ARG . 16563 1 21 . GLU . 16563 1 22 . ILE . 16563 1 23 . PRO . 16563 1 24 . LEU . 16563 1 25 . THR . 16563 1 26 . GLY . 16563 1 27 . HIS . 16563 1 28 . LYS . 16563 1 29 . GLY . 16563 1 30 . ASN . 16563 1 31 . GLU . 16563 1 32 . GLN . 16563 1 33 . PHE . 16563 1 34 . THR . 16563 1 35 . ILE . 16563 1 36 . LYS . 16563 1 37 . GLY . 16563 1 38 . LYS . 16563 1 39 . GLY . 16563 1 40 . ALA . 16563 1 41 . GLN . 16563 1 42 . TYR . 16563 1 43 . ASN . 16563 1 44 . LEU . 16563 1 45 . MET . 16563 1 46 . GLU . 16563 1 47 . VAL . 16563 1 48 . ASP . 16563 1 49 . GLY . 16563 1 50 . GLU . 16563 1 51 . ARG . 16563 1 52 . ILE . 16563 1 53 . ARG . 16563 1 54 . ILE . 16563 1 55 . LYS . 16563 1 56 . GLU . 16563 1 57 . ASP . 16563 1 58 . ASN . 16563 1 59 . SER . 16563 1 60 . PRO . 16563 1 61 . ASP . 16563 1 62 . GLN . 16563 1 63 . VAL . 16563 1 64 . GLY . 16563 1 65 . VAL . 16563 1 66 . LYS . 16563 1 67 . MET . 16563 1 68 . GLY . 16563 1 69 . TRP . 16563 1 70 . LYS . 16563 1 71 . SER . 16563 1 72 . LYS . 16563 1 73 . ALA . 16563 1 74 . GLY . 16563 1 75 . ASP . 16563 1 76 . THR . 16563 1 77 . ILE . 16563 1 78 . VAL . 16563 1 79 . CYS . 16563 1 80 . LEU . 16563 1 81 . PRO . 16563 1 82 . HIS . 16563 1 83 . LYS . 16563 1 84 . VAL . 16563 1 85 . PHE . 16563 1 86 . VAL . 16563 1 87 . GLU . 16563 1 88 . ILE . 16563 1 89 . LYS . 16563 1 90 . SER . 16563 1 91 . THR . 16563 1 92 . GLN . 16563 1 93 . LYS . 16563 1 94 . ASP . 16563 1 95 . SER . 16563 1 96 . LYS . 16563 1 97 . ASP . 16563 1 98 . PRO . 16563 1 99 . ASP . 16563 1 100 . THR . 16563 1 101 . ASP . 16563 1 102 . LEU . 16563 1 103 . ILE . 16563 1 104 . VAL . 16563 1 105 . PRO . 16563 1 106 . ASN . 16563 1 107 . LEU . 16563 1 108 . GLU . 16563 1 109 . HIS . 16563 1 110 . HIS . 16563 1 111 . HIS . 16563 1 112 . HIS . 16563 1 113 . HIS . 16563 1 114 . HIS . 16563 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 16563 1 . LYS 2 2 16563 1 . ASN 3 3 16563 1 . THR 4 4 16563 1 . GLY 5 5 16563 1 . ASP 6 6 16563 1 . GLU 7 7 16563 1 . VAL 8 8 16563 1 . VAL 9 9 16563 1 . ALA 10 10 16563 1 . ILE 11 11 16563 1 . ILE 12 12 16563 1 . SER 13 13 16563 1 . GLN 14 14 16563 1 . ASN 15 15 16563 1 . GLY 16 16 16563 1 . LYS 17 17 16563 1 . VAL 18 18 16563 1 . ILE 19 19 16563 1 . ARG 20 20 16563 1 . GLU 21 21 16563 1 . ILE 22 22 16563 1 . PRO 23 23 16563 1 . LEU 24 24 16563 1 . THR 25 25 16563 1 . GLY 26 26 16563 1 . HIS 27 27 16563 1 . LYS 28 28 16563 1 . GLY 29 29 16563 1 . ASN 30 30 16563 1 . GLU 31 31 16563 1 . GLN 32 32 16563 1 . PHE 33 33 16563 1 . THR 34 34 16563 1 . ILE 35 35 16563 1 . LYS 36 36 16563 1 . GLY 37 37 16563 1 . LYS 38 38 16563 1 . GLY 39 39 16563 1 . ALA 40 40 16563 1 . GLN 41 41 16563 1 . TYR 42 42 16563 1 . ASN 43 43 16563 1 . LEU 44 44 16563 1 . MET 45 45 16563 1 . GLU 46 46 16563 1 . VAL 47 47 16563 1 . ASP 48 48 16563 1 . GLY 49 49 16563 1 . GLU 50 50 16563 1 . ARG 51 51 16563 1 . ILE 52 52 16563 1 . ARG 53 53 16563 1 . ILE 54 54 16563 1 . LYS 55 55 16563 1 . GLU 56 56 16563 1 . ASP 57 57 16563 1 . ASN 58 58 16563 1 . SER 59 59 16563 1 . PRO 60 60 16563 1 . ASP 61 61 16563 1 . GLN 62 62 16563 1 . VAL 63 63 16563 1 . GLY 64 64 16563 1 . VAL 65 65 16563 1 . LYS 66 66 16563 1 . MET 67 67 16563 1 . GLY 68 68 16563 1 . TRP 69 69 16563 1 . LYS 70 70 16563 1 . SER 71 71 16563 1 . LYS 72 72 16563 1 . ALA 73 73 16563 1 . GLY 74 74 16563 1 . ASP 75 75 16563 1 . THR 76 76 16563 1 . ILE 77 77 16563 1 . VAL 78 78 16563 1 . CYS 79 79 16563 1 . LEU 80 80 16563 1 . PRO 81 81 16563 1 . HIS 82 82 16563 1 . LYS 83 83 16563 1 . VAL 84 84 16563 1 . PHE 85 85 16563 1 . VAL 86 86 16563 1 . GLU 87 87 16563 1 . ILE 88 88 16563 1 . LYS 89 89 16563 1 . SER 90 90 16563 1 . THR 91 91 16563 1 . GLN 92 92 16563 1 . LYS 93 93 16563 1 . ASP 94 94 16563 1 . SER 95 95 16563 1 . LYS 96 96 16563 1 . ASP 97 97 16563 1 . PRO 98 98 16563 1 . ASP 99 99 16563 1 . THR 100 100 16563 1 . ASP 101 101 16563 1 . LEU 102 102 16563 1 . ILE 103 103 16563 1 . VAL 104 104 16563 1 . PRO 105 105 16563 1 . ASN 106 106 16563 1 . LEU 107 107 16563 1 . GLU 108 108 16563 1 . HIS 109 109 16563 1 . HIS 110 110 16563 1 . HIS 111 111 16563 1 . HIS 112 112 16563 1 . HIS 113 113 16563 1 . HIS 114 114 16563 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 16563 _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 $LkR112 . 1642 organism . 'Listeria innocua' 'Listeria innocua' . . Eubacteria . Listeria innocua . . . . . . . . . . . . . . . . . . . . . 16563 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 16563 _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 $LkR112 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . LkR112-36-140-21.21 . . . . . . 16563 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16563 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LkR112 '[U-100% 13C; U-100% 15N]' . . 1 $LkR112 . . 0.851 . . mM . . . . 16563 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16563 1 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16563 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16563 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16563 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16563 1 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16563 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16563 1 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16563 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16563 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LkR112 '[U-5% 13C; U-100% 15N]' . . 1 $LkR112 . . 0.887 . . mM . . . . 16563 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16563 2 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16563 2 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16563 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16563 2 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16563 2 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16563 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16563 2 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16563 2 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 16563 _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' 200 . mM 16563 1 pH 6.5 . pH 16563 1 pressure 1 . atm 16563 1 temperature 298 . K 16563 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16563 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16563 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16563 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16563 _Software.ID 2 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16563 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16563 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16563 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16563 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16563 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16563 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16563 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16563 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16563 _Software.ID 5 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16563 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16563 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16563 _Software.ID 6 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16563 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16563 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16563 _Software.ID 7 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16563 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16563 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16563 _Software.ID 8 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16563 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 16563 8 stop_ save_ save_Pdbstat _Software.Sf_category software _Software.Sf_framecode Pdbstat _Software.Entry_ID 16563 _Software.ID 9 _Software.Name PDBStat _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Tejero and Montelione' . . 16563 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'PDB analysis' 16563 9 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 16563 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16563 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 cryoprobe . . 16563 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 16563 _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 . . . . . . . . . . . . . . . . 16563 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 3 '2D High Resolution 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 4 '2D aromatic 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 8 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 12 '3D 1H-13C aliphatic NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 13 '3D 1H-13C aromatic NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 1 14 '3D simutaeous NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16563 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 16563 _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 internal indirect 0.251449530 . . . . . . . . . 16563 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16563 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16563 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 16563 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16563 1 2 '2D 1H-13C HSQC' . . . 16563 1 4 '2D aromatic 1H-13C HSQC' . . . 16563 1 5 '3D HNCO' . . . 16563 1 6 '3D HNCACB' . . . 16563 1 8 '3D HN(CO)CACB' . . . 16563 1 12 '3D 1H-13C aliphatic NOESY' . . . 16563 1 13 '3D 1H-13C aromatic NOESY' . . . 16563 1 14 '3D simutaeous NOESY' . . . 16563 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 4.372 . . 1 . . . . 2 Lys HA . 16563 1 2 . 1 1 2 2 LYS HB2 H 1 1.839 . . 2 . . . . 2 Lys HB2 . 16563 1 3 . 1 1 2 2 LYS HB3 H 1 1.756 . . 2 . . . . 2 Lys HB3 . 16563 1 4 . 1 1 2 2 LYS HD2 H 1 1.683 . . 2 . . . . 2 Lys HD2 . 16563 1 5 . 1 1 2 2 LYS HD3 H 1 1.683 . . 2 . . . . 2 Lys HD3 . 16563 1 6 . 1 1 2 2 LYS HE2 H 1 2.996 . . 2 . . . . 2 Lys HE2 . 16563 1 7 . 1 1 2 2 LYS HE3 H 1 2.996 . . 2 . . . . 2 Lys HE3 . 16563 1 8 . 1 1 2 2 LYS HG2 H 1 1.424 . . 2 . . . . 2 Lys HG2 . 16563 1 9 . 1 1 2 2 LYS HG3 H 1 1.424 . . 2 . . . . 2 Lys HG3 . 16563 1 10 . 1 1 2 2 LYS C C 13 175.901 . . 1 . . . . 2 Lys C . 16563 1 11 . 1 1 2 2 LYS CA C 13 56.443 . . 1 . . . . 2 Lys CA . 16563 1 12 . 1 1 2 2 LYS CB C 13 33.232 . . 1 . . . . 2 Lys CB . 16563 1 13 . 1 1 2 2 LYS CD C 13 29.146 . . 1 . . . . 2 Lys CD . 16563 1 14 . 1 1 2 2 LYS CE C 13 42.154 . . 1 . . . . 2 Lys CE . 16563 1 15 . 1 1 2 2 LYS CG C 13 24.647 . . 1 . . . . 2 Lys CG . 16563 1 16 . 1 1 3 3 ASN H H 1 8.716 . . 1 . . . . 3 Asn H . 16563 1 17 . 1 1 3 3 ASN HA H 1 4.791 . . 1 . . . . 3 Asn HA . 16563 1 18 . 1 1 3 3 ASN HB2 H 1 2.875 . . 2 . . . . 3 Asn HB2 . 16563 1 19 . 1 1 3 3 ASN HB3 H 1 2.797 . . 2 . . . . 3 Asn HB3 . 16563 1 20 . 1 1 3 3 ASN HD21 H 1 7.681 . . 2 . . . . 3 Asn HD21 . 16563 1 21 . 1 1 3 3 ASN HD22 H 1 6.938 . . 2 . . . . 3 Asn HD22 . 16563 1 22 . 1 1 3 3 ASN C C 13 175.507 . . 1 . . . . 3 Asn C . 16563 1 23 . 1 1 3 3 ASN CA C 13 53.433 . . 1 . . . . 3 Asn CA . 16563 1 24 . 1 1 3 3 ASN CB C 13 38.855 . . 1 . . . . 3 Asn CB . 16563 1 25 . 1 1 3 3 ASN N N 15 121.115 . . 1 . . . . 3 Asn N . 16563 1 26 . 1 1 3 3 ASN ND2 N 15 113.089 . . 1 . . . . 3 Asn ND2 . 16563 1 27 . 1 1 4 4 THR H H 1 8.317 . . 1 . . . . 4 Thr H . 16563 1 28 . 1 1 4 4 THR HA H 1 4.343 . . 1 . . . . 4 Thr HA . 16563 1 29 . 1 1 4 4 THR HB H 1 4.248 . . 1 . . . . 4 Thr HB . 16563 1 30 . 1 1 4 4 THR HG21 H 1 1.200 . . 1 . . . . 4 Thr HG2 . 16563 1 31 . 1 1 4 4 THR HG22 H 1 1.200 . . 1 . . . . 4 Thr HG2 . 16563 1 32 . 1 1 4 4 THR HG23 H 1 1.200 . . 1 . . . . 4 Thr HG2 . 16563 1 33 . 1 1 4 4 THR C C 13 175.135 . . 1 . . . . 4 Thr C . 16563 1 34 . 1 1 4 4 THR CA C 13 62.153 . . 1 . . . . 4 Thr CA . 16563 1 35 . 1 1 4 4 THR CB C 13 69.807 . . 1 . . . . 4 Thr CB . 16563 1 36 . 1 1 4 4 THR CG2 C 13 21.580 . . 1 . . . . 4 Thr CG2 . 16563 1 37 . 1 1 4 4 THR N N 15 114.087 . . 1 . . . . 4 Thr N . 16563 1 38 . 1 1 5 5 GLY H H 1 8.469 . . 1 . . . . 5 Gly H . 16563 1 39 . 1 1 5 5 GLY HA2 H 1 4.010 . . 2 . . . . 5 Gly HA2 . 16563 1 40 . 1 1 5 5 GLY HA3 H 1 4.010 . . 2 . . . . 5 Gly HA3 . 16563 1 41 . 1 1 5 5 GLY C C 13 173.544 . . 1 . . . . 5 Gly C . 16563 1 42 . 1 1 5 5 GLY CA C 13 45.216 . . 1 . . . . 5 Gly CA . 16563 1 43 . 1 1 5 5 GLY N N 15 111.153 . . 1 . . . . 5 Gly N . 16563 1 44 . 1 1 6 6 ASP H H 1 8.198 . . 1 . . . . 6 Asp H . 16563 1 45 . 1 1 6 6 ASP HA H 1 4.688 . . 1 . . . . 6 Asp HA . 16563 1 46 . 1 1 6 6 ASP HB2 H 1 2.647 . . 2 . . . . 6 Asp HB2 . 16563 1 47 . 1 1 6 6 ASP HB3 H 1 2.569 . . 2 . . . . 6 Asp HB3 . 16563 1 48 . 1 1 6 6 ASP C C 13 175.812 . . 1 . . . . 6 Asp C . 16563 1 49 . 1 1 6 6 ASP CA C 13 54.132 . . 1 . . . . 6 Asp CA . 16563 1 50 . 1 1 6 6 ASP CB C 13 41.695 . . 1 . . . . 6 Asp CB . 16563 1 51 . 1 1 6 6 ASP N N 15 120.242 . . 1 . . . . 6 Asp N . 16563 1 52 . 1 1 7 7 GLU H H 1 8.484 . . 1 . . . . 7 Glu H . 16563 1 53 . 1 1 7 7 GLU HA H 1 4.683 . . 1 . . . . 7 Glu HA . 16563 1 54 . 1 1 7 7 GLU HB2 H 1 2.050 . . 2 . . . . 7 Glu HB2 . 16563 1 55 . 1 1 7 7 GLU HB3 H 1 1.952 . . 2 . . . . 7 Glu HB3 . 16563 1 56 . 1 1 7 7 GLU HG2 H 1 2.227 . . 2 . . . . 7 Glu HG2 . 16563 1 57 . 1 1 7 7 GLU HG3 H 1 2.184 . . 2 . . . . 7 Glu HG3 . 16563 1 58 . 1 1 7 7 GLU C C 13 176.006 . . 1 . . . . 7 Glu C . 16563 1 59 . 1 1 7 7 GLU CA C 13 56.192 . . 1 . . . . 7 Glu CA . 16563 1 60 . 1 1 7 7 GLU CB C 13 31.521 . . 1 . . . . 7 Glu CB . 16563 1 61 . 1 1 7 7 GLU CG C 13 36.879 . . 1 . . . . 7 Glu CG . 16563 1 62 . 1 1 7 7 GLU N N 15 122.312 . . 1 . . . . 7 Glu N . 16563 1 63 . 1 1 8 8 VAL H H 1 8.859 . . 1 . . . . 8 Val H . 16563 1 64 . 1 1 8 8 VAL HA H 1 5.305 . . 1 . . . . 8 Val HA . 16563 1 65 . 1 1 8 8 VAL HB H 1 1.869 . . 1 . . . . 8 Val HB . 16563 1 66 . 1 1 8 8 VAL HG11 H 1 0.776 . . 2 . . . . 8 Val HG1 . 16563 1 67 . 1 1 8 8 VAL HG12 H 1 0.776 . . 2 . . . . 8 Val HG1 . 16563 1 68 . 1 1 8 8 VAL HG13 H 1 0.776 . . 2 . . . . 8 Val HG1 . 16563 1 69 . 1 1 8 8 VAL HG21 H 1 0.831 . . 2 . . . . 8 Val HG2 . 16563 1 70 . 1 1 8 8 VAL HG22 H 1 0.831 . . 2 . . . . 8 Val HG2 . 16563 1 71 . 1 1 8 8 VAL HG23 H 1 0.831 . . 2 . . . . 8 Val HG2 . 16563 1 72 . 1 1 8 8 VAL C C 13 176.153 . . 1 . . . . 8 Val C . 16563 1 73 . 1 1 8 8 VAL CA C 13 59.279 . . 1 . . . . 8 Val CA . 16563 1 74 . 1 1 8 8 VAL CB C 13 35.441 . . 1 . . . . 8 Val CB . 16563 1 75 . 1 1 8 8 VAL CG1 C 13 22.337 . . 2 . . . . 8 Val CG1 . 16563 1 76 . 1 1 8 8 VAL CG2 C 13 19.645 . . 2 . . . . 8 Val CG2 . 16563 1 77 . 1 1 8 8 VAL N N 15 115.566 . . 1 . . . . 8 Val N . 16563 1 78 . 1 1 9 9 VAL H H 1 9.114 . . 1 . . . . 9 Val H . 16563 1 79 . 1 1 9 9 VAL HA H 1 4.685 . . 1 . . . . 9 Val HA . 16563 1 80 . 1 1 9 9 VAL HB H 1 1.798 . . 1 . . . . 9 Val HB . 16563 1 81 . 1 1 9 9 VAL HG11 H 1 0.781 . . 2 . . . . 9 Val HG1 . 16563 1 82 . 1 1 9 9 VAL HG12 H 1 0.781 . . 2 . . . . 9 Val HG1 . 16563 1 83 . 1 1 9 9 VAL HG13 H 1 0.781 . . 2 . . . . 9 Val HG1 . 16563 1 84 . 1 1 9 9 VAL HG21 H 1 0.767 . . 2 . . . . 9 Val HG2 . 16563 1 85 . 1 1 9 9 VAL HG22 H 1 0.767 . . 2 . . . . 9 Val HG2 . 16563 1 86 . 1 1 9 9 VAL HG23 H 1 0.767 . . 2 . . . . 9 Val HG2 . 16563 1 87 . 1 1 9 9 VAL C C 13 172.764 . . 1 . . . . 9 Val C . 16563 1 88 . 1 1 9 9 VAL CA C 13 59.269 . . 1 . . . . 9 Val CA . 16563 1 89 . 1 1 9 9 VAL CB C 13 36.043 . . 1 . . . . 9 Val CB . 16563 1 90 . 1 1 9 9 VAL CG1 C 13 20.436 . . 2 . . . . 9 Val CG1 . 16563 1 91 . 1 1 9 9 VAL CG2 C 13 20.681 . . 2 . . . . 9 Val CG2 . 16563 1 92 . 1 1 9 9 VAL N N 15 121.967 . . 1 . . . . 9 Val N . 16563 1 93 . 1 1 10 10 ALA H H 1 8.902 . . 1 . . . . 10 Ala H . 16563 1 94 . 1 1 10 10 ALA HA H 1 4.916 . . 1 . . . . 10 Ala HA . 16563 1 95 . 1 1 10 10 ALA HB1 H 1 1.118 . . 1 . . . . 10 Ala HB . 16563 1 96 . 1 1 10 10 ALA HB2 H 1 1.118 . . 1 . . . . 10 Ala HB . 16563 1 97 . 1 1 10 10 ALA HB3 H 1 1.118 . . 1 . . . . 10 Ala HB . 16563 1 98 . 1 1 10 10 ALA C C 13 174.990 . . 1 . . . . 10 Ala C . 16563 1 99 . 1 1 10 10 ALA CA C 13 50.208 . . 1 . . . . 10 Ala CA . 16563 1 100 . 1 1 10 10 ALA CB C 13 19.912 . . 1 . . . . 10 Ala CB . 16563 1 101 . 1 1 10 10 ALA N N 15 126.115 . . 1 . . . . 10 Ala N . 16563 1 102 . 1 1 11 11 ILE H H 1 9.392 . . 1 . . . . 11 Ile H . 16563 1 103 . 1 1 11 11 ILE HA H 1 4.443 . . 1 . . . . 11 Ile HA . 16563 1 104 . 1 1 11 11 ILE HB H 1 2.045 . . 1 . . . . 11 Ile HB . 16563 1 105 . 1 1 11 11 ILE HD11 H 1 0.779 . . 1 . . . . 11 Ile HD1 . 16563 1 106 . 1 1 11 11 ILE HD12 H 1 0.779 . . 1 . . . . 11 Ile HD1 . 16563 1 107 . 1 1 11 11 ILE HD13 H 1 0.779 . . 1 . . . . 11 Ile HD1 . 16563 1 108 . 1 1 11 11 ILE HG12 H 1 1.468 . . 2 . . . . 11 Ile HG12 . 16563 1 109 . 1 1 11 11 ILE HG13 H 1 1.183 . . 2 . . . . 11 Ile HG13 . 16563 1 110 . 1 1 11 11 ILE HG21 H 1 0.954 . . 1 . . . . 11 Ile HG2 . 16563 1 111 . 1 1 11 11 ILE HG22 H 1 0.954 . . 1 . . . . 11 Ile HG2 . 16563 1 112 . 1 1 11 11 ILE HG23 H 1 0.954 . . 1 . . . . 11 Ile HG2 . 16563 1 113 . 1 1 11 11 ILE C C 13 176.229 . . 1 . . . . 11 Ile C . 16563 1 114 . 1 1 11 11 ILE CA C 13 60.773 . . 1 . . . . 11 Ile CA . 16563 1 115 . 1 1 11 11 ILE CB C 13 38.268 . . 1 . . . . 11 Ile CB . 16563 1 116 . 1 1 11 11 ILE CD1 C 13 13.000 . . 1 . . . . 11 Ile CD1 . 16563 1 117 . 1 1 11 11 ILE CG1 C 13 27.277 . . 1 . . . . 11 Ile CG1 . 16563 1 118 . 1 1 11 11 ILE CG2 C 13 19.323 . . 1 . . . . 11 Ile CG2 . 16563 1 119 . 1 1 11 11 ILE N N 15 125.088 . . 1 . . . . 11 Ile N . 16563 1 120 . 1 1 12 12 ILE H H 1 9.146 . . 1 . . . . 12 Ile H . 16563 1 121 . 1 1 12 12 ILE HA H 1 4.839 . . 1 . . . . 12 Ile HA . 16563 1 122 . 1 1 12 12 ILE HB H 1 2.011 . . 1 . . . . 12 Ile HB . 16563 1 123 . 1 1 12 12 ILE HD11 H 1 0.872 . . 1 . . . . 12 Ile HD1 . 16563 1 124 . 1 1 12 12 ILE HD12 H 1 0.872 . . 1 . . . . 12 Ile HD1 . 16563 1 125 . 1 1 12 12 ILE HD13 H 1 0.872 . . 1 . . . . 12 Ile HD1 . 16563 1 126 . 1 1 12 12 ILE HG12 H 1 1.541 . . 2 . . . . 12 Ile HG12 . 16563 1 127 . 1 1 12 12 ILE HG13 H 1 1.077 . . 2 . . . . 12 Ile HG13 . 16563 1 128 . 1 1 12 12 ILE HG21 H 1 0.891 . . 1 . . . . 12 Ile HG2 . 16563 1 129 . 1 1 12 12 ILE HG22 H 1 0.891 . . 1 . . . . 12 Ile HG2 . 16563 1 130 . 1 1 12 12 ILE HG23 H 1 0.891 . . 1 . . . . 12 Ile HG2 . 16563 1 131 . 1 1 12 12 ILE C C 13 174.593 . . 1 . . . . 12 Ile C . 16563 1 132 . 1 1 12 12 ILE CA C 13 60.970 . . 1 . . . . 12 Ile CA . 16563 1 133 . 1 1 12 12 ILE CB C 13 38.824 . . 1 . . . . 12 Ile CB . 16563 1 134 . 1 1 12 12 ILE CD1 C 13 15.014 . . 1 . . . . 12 Ile CD1 . 16563 1 135 . 1 1 12 12 ILE CG1 C 13 28.479 . . 1 . . . . 12 Ile CG1 . 16563 1 136 . 1 1 12 12 ILE CG2 C 13 18.297 . . 1 . . . . 12 Ile CG2 . 16563 1 137 . 1 1 12 12 ILE N N 15 129.268 . . 1 . . . . 12 Ile N . 16563 1 138 . 1 1 13 13 SER H H 1 9.694 . . 1 . . . . 13 Ser H . 16563 1 139 . 1 1 13 13 SER HA H 1 5.607 . . 1 . . . . 13 Ser HA . 16563 1 140 . 1 1 13 13 SER HB2 H 1 3.679 . . 2 . . . . 13 Ser HB2 . 16563 1 141 . 1 1 13 13 SER HB3 H 1 3.475 . . 2 . . . . 13 Ser HB3 . 16563 1 142 . 1 1 13 13 SER C C 13 172.389 . . 1 . . . . 13 Ser C . 16563 1 143 . 1 1 13 13 SER CA C 13 57.263 . . 1 . . . . 13 Ser CA . 16563 1 144 . 1 1 13 13 SER CB C 13 66.255 . . 1 . . . . 13 Ser CB . 16563 1 145 . 1 1 13 13 SER N N 15 123.583 . . 1 . . . . 13 Ser N . 16563 1 146 . 1 1 14 14 GLN H H 1 9.099 . . 1 . . . . 14 Gln H . 16563 1 147 . 1 1 14 14 GLN HA H 1 5.443 . . 1 . . . . 14 Gln HA . 16563 1 148 . 1 1 14 14 GLN HB2 H 1 2.275 . . 2 . . . . 14 Gln HB2 . 16563 1 149 . 1 1 14 14 GLN HB3 H 1 1.577 . . 2 . . . . 14 Gln HB3 . 16563 1 150 . 1 1 14 14 GLN HE21 H 1 8.065 . . 2 . . . . 14 Gln HE21 . 16563 1 151 . 1 1 14 14 GLN HE22 H 1 6.620 . . 2 . . . . 14 Gln HE22 . 16563 1 152 . 1 1 14 14 GLN HG2 H 1 2.137 . . 2 . . . . 14 Gln HG2 . 16563 1 153 . 1 1 14 14 GLN HG3 H 1 2.274 . . 2 . . . . 14 Gln HG3 . 16563 1 154 . 1 1 14 14 GLN C C 13 176.779 . . 1 . . . . 14 Gln C . 16563 1 155 . 1 1 14 14 GLN CA C 13 54.059 . . 1 . . . . 14 Gln CA . 16563 1 156 . 1 1 14 14 GLN CB C 13 32.306 . . 1 . . . . 14 Gln CB . 16563 1 157 . 1 1 14 14 GLN CG C 13 33.434 . . 1 . . . . 14 Gln CG . 16563 1 158 . 1 1 14 14 GLN N N 15 122.086 . . 1 . . . . 14 Gln N . 16563 1 159 . 1 1 14 14 GLN NE2 N 15 112.982 . . 1 . . . . 14 Gln NE2 . 16563 1 160 . 1 1 15 15 ASN H H 1 9.754 . . 1 . . . . 15 Asn H . 16563 1 161 . 1 1 15 15 ASN HA H 1 4.445 . . 1 . . . . 15 Asn HA . 16563 1 162 . 1 1 15 15 ASN HB2 H 1 3.236 . . 2 . . . . 15 Asn HB2 . 16563 1 163 . 1 1 15 15 ASN HB3 H 1 2.726 . . 2 . . . . 15 Asn HB3 . 16563 1 164 . 1 1 15 15 ASN HD21 H 1 7.617 . . 2 . . . . 15 Asn HD21 . 16563 1 165 . 1 1 15 15 ASN HD22 H 1 6.921 . . 2 . . . . 15 Asn HD22 . 16563 1 166 . 1 1 15 15 ASN C C 13 175.105 . . 1 . . . . 15 Asn C . 16563 1 167 . 1 1 15 15 ASN CA C 13 54.640 . . 1 . . . . 15 Asn CA . 16563 1 168 . 1 1 15 15 ASN CB C 13 37.567 . . 1 . . . . 15 Asn CB . 16563 1 169 . 1 1 15 15 ASN N N 15 126.177 . . 1 . . . . 15 Asn N . 16563 1 170 . 1 1 15 15 ASN ND2 N 15 111.599 . . 1 . . . . 15 Asn ND2 . 16563 1 171 . 1 1 16 16 GLY H H 1 9.072 . . 1 . . . . 16 Gly H . 16563 1 172 . 1 1 16 16 GLY HA2 H 1 4.131 . . 2 . . . . 16 Gly HA2 . 16563 1 173 . 1 1 16 16 GLY HA3 H 1 3.624 . . 2 . . . . 16 Gly HA3 . 16563 1 174 . 1 1 16 16 GLY C C 13 173.448 . . 1 . . . . 16 Gly C . 16563 1 175 . 1 1 16 16 GLY CA C 13 45.397 . . 1 . . . . 16 Gly CA . 16563 1 176 . 1 1 16 16 GLY N N 15 103.457 . . 1 . . . . 16 Gly N . 16563 1 177 . 1 1 17 17 LYS H H 1 7.612 . . 1 . . . . 17 Lys H . 16563 1 178 . 1 1 17 17 LYS HA H 1 4.683 . . 1 . . . . 17 Lys HA . 16563 1 179 . 1 1 17 17 LYS HB2 H 1 1.866 . . 2 . . . . 17 Lys HB2 . 16563 1 180 . 1 1 17 17 LYS HB3 H 1 1.773 . . 2 . . . . 17 Lys HB3 . 16563 1 181 . 1 1 17 17 LYS HD2 H 1 1.703 . . 2 . . . . 17 Lys HD2 . 16563 1 182 . 1 1 17 17 LYS HD3 H 1 1.492 . . 2 . . . . 17 Lys HD3 . 16563 1 183 . 1 1 17 17 LYS HE2 H 1 3.037 . . 2 . . . . 17 Lys HE2 . 16563 1 184 . 1 1 17 17 LYS HE3 H 1 3.037 . . 2 . . . . 17 Lys HE3 . 16563 1 185 . 1 1 17 17 LYS HG2 H 1 1.438 . . 2 . . . . 17 Lys HG2 . 16563 1 186 . 1 1 17 17 LYS HG3 H 1 1.366 . . 2 . . . . 17 Lys HG3 . 16563 1 187 . 1 1 17 17 LYS C C 13 175.446 . . 1 . . . . 17 Lys C . 16563 1 188 . 1 1 17 17 LYS CA C 13 54.244 . . 1 . . . . 17 Lys CA . 16563 1 189 . 1 1 17 17 LYS CB C 13 34.798 . . 1 . . . . 17 Lys CB . 16563 1 190 . 1 1 17 17 LYS CD C 13 29.053 . . 1 . . . . 17 Lys CD . 16563 1 191 . 1 1 17 17 LYS CE C 13 42.406 . . 1 . . . . 17 Lys CE . 16563 1 192 . 1 1 17 17 LYS CG C 13 24.498 . . 1 . . . . 17 Lys CG . 16563 1 193 . 1 1 17 17 LYS N N 15 120.793 . . 1 . . . . 17 Lys N . 16563 1 194 . 1 1 18 18 VAL H H 1 8.757 . . 1 . . . . 18 Val H . 16563 1 195 . 1 1 18 18 VAL HA H 1 3.993 . . 1 . . . . 18 Val HA . 16563 1 196 . 1 1 18 18 VAL HB H 1 1.933 . . 1 . . . . 18 Val HB . 16563 1 197 . 1 1 18 18 VAL HG11 H 1 0.858 . . 2 . . . . 18 Val HG1 . 16563 1 198 . 1 1 18 18 VAL HG12 H 1 0.858 . . 2 . . . . 18 Val HG1 . 16563 1 199 . 1 1 18 18 VAL HG13 H 1 0.858 . . 2 . . . . 18 Val HG1 . 16563 1 200 . 1 1 18 18 VAL HG21 H 1 0.939 . . 2 . . . . 18 Val HG2 . 16563 1 201 . 1 1 18 18 VAL HG22 H 1 0.939 . . 2 . . . . 18 Val HG2 . 16563 1 202 . 1 1 18 18 VAL HG23 H 1 0.939 . . 2 . . . . 18 Val HG2 . 16563 1 203 . 1 1 18 18 VAL C C 13 177.381 . . 1 . . . . 18 Val C . 16563 1 204 . 1 1 18 18 VAL CA C 13 64.826 . . 1 . . . . 18 Val CA . 16563 1 205 . 1 1 18 18 VAL CB C 13 31.840 . . 1 . . . . 18 Val CB . 16563 1 206 . 1 1 18 18 VAL CG1 C 13 21.456 . . 2 . . . . 18 Val CG1 . 16563 1 207 . 1 1 18 18 VAL CG2 C 13 21.818 . . 2 . . . . 18 Val CG2 . 16563 1 208 . 1 1 18 18 VAL N N 15 125.259 . . 1 . . . . 18 Val N . 16563 1 209 . 1 1 19 19 ILE H H 1 9.442 . . 1 . . . . 19 Ile H . 16563 1 210 . 1 1 19 19 ILE HA H 1 4.598 . . 1 . . . . 19 Ile HA . 16563 1 211 . 1 1 19 19 ILE HB H 1 1.998 . . 1 . . . . 19 Ile HB . 16563 1 212 . 1 1 19 19 ILE HD11 H 1 0.947 . . 1 . . . . 19 Ile HD1 . 16563 1 213 . 1 1 19 19 ILE HD12 H 1 0.947 . . 1 . . . . 19 Ile HD1 . 16563 1 214 . 1 1 19 19 ILE HD13 H 1 0.947 . . 1 . . . . 19 Ile HD1 . 16563 1 215 . 1 1 19 19 ILE HG12 H 1 1.363 . . 2 . . . . 19 Ile HG12 . 16563 1 216 . 1 1 19 19 ILE HG13 H 1 1.173 . . 2 . . . . 19 Ile HG13 . 16563 1 217 . 1 1 19 19 ILE HG21 H 1 1.093 . . 1 . . . . 19 Ile HG2 . 16563 1 218 . 1 1 19 19 ILE HG22 H 1 1.093 . . 1 . . . . 19 Ile HG2 . 16563 1 219 . 1 1 19 19 ILE HG23 H 1 1.093 . . 1 . . . . 19 Ile HG2 . 16563 1 220 . 1 1 19 19 ILE C C 13 176.488 . . 1 . . . . 19 Ile C . 16563 1 221 . 1 1 19 19 ILE CA C 13 61.112 . . 1 . . . . 19 Ile CA . 16563 1 222 . 1 1 19 19 ILE CB C 13 39.942 . . 1 . . . . 19 Ile CB . 16563 1 223 . 1 1 19 19 ILE CD1 C 13 13.826 . . 1 . . . . 19 Ile CD1 . 16563 1 224 . 1 1 19 19 ILE CG1 C 13 26.938 . . 1 . . . . 19 Ile CG1 . 16563 1 225 . 1 1 19 19 ILE CG2 C 13 18.501 . . 1 . . . . 19 Ile CG2 . 16563 1 226 . 1 1 19 19 ILE N N 15 123.467 . . 1 . . . . 19 Ile N . 16563 1 227 . 1 1 20 20 ARG H H 1 7.777 . . 1 . . . . 20 Arg H . 16563 1 228 . 1 1 20 20 ARG HA H 1 4.498 . . 1 . . . . 20 Arg HA . 16563 1 229 . 1 1 20 20 ARG HB2 H 1 1.715 . . 2 . . . . 20 Arg HB2 . 16563 1 230 . 1 1 20 20 ARG HB3 H 1 1.484 . . 2 . . . . 20 Arg HB3 . 16563 1 231 . 1 1 20 20 ARG HD2 H 1 2.858 . . 2 . . . . 20 Arg HD2 . 16563 1 232 . 1 1 20 20 ARG HD3 H 1 2.628 . . 2 . . . . 20 Arg HD3 . 16563 1 233 . 1 1 20 20 ARG HE H 1 6.939 . . 1 . . . . 20 Arg HE . 16563 1 234 . 1 1 20 20 ARG HG2 H 1 1.416 . . 2 . . . . 20 Arg HG2 . 16563 1 235 . 1 1 20 20 ARG HG3 H 1 1.333 . . 2 . . . . 20 Arg HG3 . 16563 1 236 . 1 1 20 20 ARG C C 13 172.981 . . 1 . . . . 20 Arg C . 16563 1 237 . 1 1 20 20 ARG CA C 13 55.983 . . 1 . . . . 20 Arg CA . 16563 1 238 . 1 1 20 20 ARG CB C 13 34.488 . . 1 . . . . 20 Arg CB . 16563 1 239 . 1 1 20 20 ARG CD C 13 42.532 . . 1 . . . . 20 Arg CD . 16563 1 240 . 1 1 20 20 ARG CG C 13 27.325 . . 1 . . . . 20 Arg CG . 16563 1 241 . 1 1 20 20 ARG N N 15 120.297 . . 1 . . . . 20 Arg N . 16563 1 242 . 1 1 20 20 ARG NE N 15 82.347 . . 1 . . . . 20 Arg NE . 16563 1 243 . 1 1 21 21 GLU H H 1 8.534 . . 1 . . . . 21 Glu H . 16563 1 244 . 1 1 21 21 GLU HA H 1 5.123 . . 1 . . . . 21 Glu HA . 16563 1 245 . 1 1 21 21 GLU HB2 H 1 1.861 . . 2 . . . . 21 Glu HB2 . 16563 1 246 . 1 1 21 21 GLU HB3 H 1 1.735 . . 2 . . . . 21 Glu HB3 . 16563 1 247 . 1 1 21 21 GLU HG2 H 1 2.071 . . 2 . . . . 21 Glu HG2 . 16563 1 248 . 1 1 21 21 GLU HG3 H 1 2.002 . . 2 . . . . 21 Glu HG3 . 16563 1 249 . 1 1 21 21 GLU C C 13 175.719 . . 1 . . . . 21 Glu C . 16563 1 250 . 1 1 21 21 GLU CA C 13 55.166 . . 1 . . . . 21 Glu CA . 16563 1 251 . 1 1 21 21 GLU CB C 13 31.761 . . 1 . . . . 21 Glu CB . 16563 1 252 . 1 1 21 21 GLU CG C 13 36.861 . . 1 . . . . 21 Glu CG . 16563 1 253 . 1 1 21 21 GLU N N 15 123.704 . . 1 . . . . 21 Glu N . 16563 1 254 . 1 1 22 22 ILE H H 1 9.366 . . 1 . . . . 22 Ile H . 16563 1 255 . 1 1 22 22 ILE HA H 1 4.602 . . 1 . . . . 22 Ile HA . 16563 1 256 . 1 1 22 22 ILE HB H 1 1.716 . . 1 . . . . 22 Ile HB . 16563 1 257 . 1 1 22 22 ILE HD11 H 1 0.650 . . 1 . . . . 22 Ile HD1 . 16563 1 258 . 1 1 22 22 ILE HD12 H 1 0.650 . . 1 . . . . 22 Ile HD1 . 16563 1 259 . 1 1 22 22 ILE HD13 H 1 0.650 . . 1 . . . . 22 Ile HD1 . 16563 1 260 . 1 1 22 22 ILE HG12 H 1 1.303 . . 2 . . . . 22 Ile HG12 . 16563 1 261 . 1 1 22 22 ILE HG13 H 1 0.945 . . 2 . . . . 22 Ile HG13 . 16563 1 262 . 1 1 22 22 ILE HG21 H 1 0.661 . . 1 . . . . 22 Ile HG2 . 16563 1 263 . 1 1 22 22 ILE HG22 H 1 0.661 . . 1 . . . . 22 Ile HG2 . 16563 1 264 . 1 1 22 22 ILE HG23 H 1 0.661 . . 1 . . . . 22 Ile HG2 . 16563 1 265 . 1 1 22 22 ILE CA C 13 57.976 . . 1 . . . . 22 Ile CA . 16563 1 266 . 1 1 22 22 ILE CB C 13 41.771 . . 1 . . . . 22 Ile CB . 16563 1 267 . 1 1 22 22 ILE CD1 C 13 14.820 . . 1 . . . . 22 Ile CD1 . 16563 1 268 . 1 1 22 22 ILE CG1 C 13 27.189 . . 1 . . . . 22 Ile CG1 . 16563 1 269 . 1 1 22 22 ILE CG2 C 13 16.168 . . 1 . . . . 22 Ile CG2 . 16563 1 270 . 1 1 22 22 ILE N N 15 124.604 . . 1 . . . . 22 Ile N . 16563 1 271 . 1 1 23 23 PRO HA H 1 4.464 . . 1 . . . . 23 Pro HA . 16563 1 272 . 1 1 23 23 PRO HB2 H 1 2.391 . . 2 . . . . 23 Pro HB2 . 16563 1 273 . 1 1 23 23 PRO HB3 H 1 2.065 . . 2 . . . . 23 Pro HB3 . 16563 1 274 . 1 1 23 23 PRO HD2 H 1 3.878 . . 2 . . . . 23 Pro HD2 . 16563 1 275 . 1 1 23 23 PRO HD3 H 1 3.818 . . 2 . . . . 23 Pro HD3 . 16563 1 276 . 1 1 23 23 PRO HG2 H 1 2.243 . . 2 . . . . 23 Pro HG2 . 16563 1 277 . 1 1 23 23 PRO HG3 H 1 1.940 . . 2 . . . . 23 Pro HG3 . 16563 1 278 . 1 1 23 23 PRO C C 13 175.669 . . 1 . . . . 23 Pro C . 16563 1 279 . 1 1 23 23 PRO CA C 13 63.528 . . 1 . . . . 23 Pro CA . 16563 1 280 . 1 1 23 23 PRO CB C 13 31.306 . . 1 . . . . 23 Pro CB . 16563 1 281 . 1 1 23 23 PRO CD C 13 51.472 . . 1 . . . . 23 Pro CD . 16563 1 282 . 1 1 23 23 PRO CG C 13 27.805 . . 1 . . . . 23 Pro CG . 16563 1 283 . 1 1 24 24 LEU H H 1 8.346 . . 1 . . . . 24 Leu H . 16563 1 284 . 1 1 24 24 LEU HA H 1 4.345 . . 1 . . . . 24 Leu HA . 16563 1 285 . 1 1 24 24 LEU HB2 H 1 1.616 . . 2 . . . . 24 Leu HB2 . 16563 1 286 . 1 1 24 24 LEU HB3 H 1 1.388 . . 2 . . . . 24 Leu HB3 . 16563 1 287 . 1 1 24 24 LEU HD11 H 1 0.740 . . 2 . . . . 24 Leu HD1 . 16563 1 288 . 1 1 24 24 LEU HD12 H 1 0.740 . . 2 . . . . 24 Leu HD1 . 16563 1 289 . 1 1 24 24 LEU HD13 H 1 0.740 . . 2 . . . . 24 Leu HD1 . 16563 1 290 . 1 1 24 24 LEU HD21 H 1 0.490 . . 2 . . . . 24 Leu HD2 . 16563 1 291 . 1 1 24 24 LEU HD22 H 1 0.490 . . 2 . . . . 24 Leu HD2 . 16563 1 292 . 1 1 24 24 LEU HD23 H 1 0.490 . . 2 . . . . 24 Leu HD2 . 16563 1 293 . 1 1 24 24 LEU HG H 1 1.669 . . 1 . . . . 24 Leu HG . 16563 1 294 . 1 1 24 24 LEU C C 13 178.147 . . 1 . . . . 24 Leu C . 16563 1 295 . 1 1 24 24 LEU CA C 13 55.620 . . 1 . . . . 24 Leu CA . 16563 1 296 . 1 1 24 24 LEU CB C 13 42.544 . . 1 . . . . 24 Leu CB . 16563 1 297 . 1 1 24 24 LEU CD1 C 13 25.885 . . 2 . . . . 24 Leu CD1 . 16563 1 298 . 1 1 24 24 LEU CD2 C 13 22.938 . . 2 . . . . 24 Leu CD2 . 16563 1 299 . 1 1 24 24 LEU CG C 13 26.232 . . 1 . . . . 24 Leu CG . 16563 1 300 . 1 1 24 24 LEU N N 15 125.963 . . 1 . . . . 24 Leu N . 16563 1 301 . 1 1 25 25 THR H H 1 7.333 . . 1 . . . . 25 Thr H . 16563 1 302 . 1 1 25 25 THR HA H 1 3.994 . . 1 . . . . 25 Thr HA . 16563 1 303 . 1 1 25 25 THR HB H 1 3.994 . . 1 . . . . 25 Thr HB . 16563 1 304 . 1 1 25 25 THR HG21 H 1 1.406 . . 1 . . . . 25 Thr HG2 . 16563 1 305 . 1 1 25 25 THR HG22 H 1 1.406 . . 1 . . . . 25 Thr HG2 . 16563 1 306 . 1 1 25 25 THR HG23 H 1 1.406 . . 1 . . . . 25 Thr HG2 . 16563 1 307 . 1 1 25 25 THR C C 13 176.102 . . 1 . . . . 25 Thr C . 16563 1 308 . 1 1 25 25 THR CA C 13 65.305 . . 1 . . . . 25 Thr CA . 16563 1 309 . 1 1 25 25 THR CB C 13 68.646 . . 1 . . . . 25 Thr CB . 16563 1 310 . 1 1 25 25 THR CG2 C 13 22.733 . . 1 . . . . 25 Thr CG2 . 16563 1 311 . 1 1 25 25 THR N N 15 115.493 . . 1 . . . . 25 Thr N . 16563 1 312 . 1 1 26 26 GLY H H 1 9.718 . . 1 . . . . 26 Gly H . 16563 1 313 . 1 1 26 26 GLY HA2 H 1 4.222 . . 2 . . . . 26 Gly HA2 . 16563 1 314 . 1 1 26 26 GLY HA3 H 1 3.649 . . 2 . . . . 26 Gly HA3 . 16563 1 315 . 1 1 26 26 GLY C C 13 173.653 . . 1 . . . . 26 Gly C . 16563 1 316 . 1 1 26 26 GLY CA C 13 45.323 . . 1 . . . . 26 Gly CA . 16563 1 317 . 1 1 26 26 GLY N N 15 117.796 . . 1 . . . . 26 Gly N . 16563 1 318 . 1 1 27 27 HIS H H 1 8.120 . . 1 . . . . 27 His H . 16563 1 319 . 1 1 27 27 HIS HA H 1 4.271 . . 1 . . . . 27 His HA . 16563 1 320 . 1 1 27 27 HIS HB2 H 1 3.493 . . 2 . . . . 27 His HB2 . 16563 1 321 . 1 1 27 27 HIS HB3 H 1 3.355 . . 2 . . . . 27 His HB3 . 16563 1 322 . 1 1 27 27 HIS HD2 H 1 7.527 . . 1 . . . . 27 His HD2 . 16563 1 323 . 1 1 27 27 HIS HE1 H 1 7.981 . . 1 . . . . 27 His HE1 . 16563 1 324 . 1 1 27 27 HIS C C 13 174.139 . . 1 . . . . 27 His C . 16563 1 325 . 1 1 27 27 HIS CA C 13 58.235 . . 1 . . . . 27 His CA . 16563 1 326 . 1 1 27 27 HIS CB C 13 27.172 . . 1 . . . . 27 His CB . 16563 1 327 . 1 1 27 27 HIS CD2 C 13 121.194 . . 1 . . . . 27 His CD2 . 16563 1 328 . 1 1 27 27 HIS CE1 C 13 134.530 . . 1 . . . . 27 His CE1 . 16563 1 329 . 1 1 27 27 HIS N N 15 120.928 . . 1 . . . . 27 His N . 16563 1 330 . 1 1 28 28 LYS H H 1 8.052 . . 1 . . . . 28 Lys H . 16563 1 331 . 1 1 28 28 LYS HA H 1 4.534 . . 1 . . . . 28 Lys HA . 16563 1 332 . 1 1 28 28 LYS HB2 H 1 1.653 . . 2 . . . . 28 Lys HB2 . 16563 1 333 . 1 1 28 28 LYS HB3 H 1 1.581 . . 2 . . . . 28 Lys HB3 . 16563 1 334 . 1 1 28 28 LYS HD2 H 1 1.591 . . 2 . . . . 28 Lys HD2 . 16563 1 335 . 1 1 28 28 LYS HD3 H 1 1.591 . . 2 . . . . 28 Lys HD3 . 16563 1 336 . 1 1 28 28 LYS HE2 H 1 2.952 . . 2 . . . . 28 Lys HE2 . 16563 1 337 . 1 1 28 28 LYS HE3 H 1 2.952 . . 2 . . . . 28 Lys HE3 . 16563 1 338 . 1 1 28 28 LYS HG2 H 1 1.388 . . 2 . . . . 28 Lys HG2 . 16563 1 339 . 1 1 28 28 LYS HG3 H 1 1.308 . . 2 . . . . 28 Lys HG3 . 16563 1 340 . 1 1 28 28 LYS C C 13 176.063 . . 1 . . . . 28 Lys C . 16563 1 341 . 1 1 28 28 LYS CA C 13 54.367 . . 1 . . . . 28 Lys CA . 16563 1 342 . 1 1 28 28 LYS CB C 13 35.012 . . 1 . . . . 28 Lys CB . 16563 1 343 . 1 1 28 28 LYS CD C 13 28.696 . . 1 . . . . 28 Lys CD . 16563 1 344 . 1 1 28 28 LYS CE C 13 42.299 . . 1 . . . . 28 Lys CE . 16563 1 345 . 1 1 28 28 LYS CG C 13 24.404 . . 1 . . . . 28 Lys CG . 16563 1 346 . 1 1 28 28 LYS N N 15 127.192 . . 1 . . . . 28 Lys N . 16563 1 347 . 1 1 29 29 GLY H H 1 8.559 . . 1 . . . . 29 Gly H . 16563 1 348 . 1 1 29 29 GLY HA2 H 1 4.058 . . 2 . . . . 29 Gly HA2 . 16563 1 349 . 1 1 29 29 GLY HA3 H 1 3.777 . . 2 . . . . 29 Gly HA3 . 16563 1 350 . 1 1 29 29 GLY C C 13 172.245 . . 1 . . . . 29 Gly C . 16563 1 351 . 1 1 29 29 GLY CA C 13 44.450 . . 1 . . . . 29 Gly CA . 16563 1 352 . 1 1 29 29 GLY N N 15 108.577 . . 1 . . . . 29 Gly N . 16563 1 353 . 1 1 30 30 ASN H H 1 8.532 . . 1 . . . . 30 Asn H . 16563 1 354 . 1 1 30 30 ASN HA H 1 5.940 . . 1 . . . . 30 Asn HA . 16563 1 355 . 1 1 30 30 ASN HB2 H 1 2.677 . . 2 . . . . 30 Asn HB2 . 16563 1 356 . 1 1 30 30 ASN HB3 H 1 2.677 . . 2 . . . . 30 Asn HB3 . 16563 1 357 . 1 1 30 30 ASN HD21 H 1 9.236 . . 2 . . . . 30 Asn HD21 . 16563 1 358 . 1 1 30 30 ASN HD22 H 1 8.437 . . 2 . . . . 30 Asn HD22 . 16563 1 359 . 1 1 30 30 ASN C C 13 174.636 . . 1 . . . . 30 Asn C . 16563 1 360 . 1 1 30 30 ASN CA C 13 53.456 . . 1 . . . . 30 Asn CA . 16563 1 361 . 1 1 30 30 ASN CB C 13 43.365 . . 1 . . . . 30 Asn CB . 16563 1 362 . 1 1 30 30 ASN N N 15 120.207 . . 1 . . . . 30 Asn N . 16563 1 363 . 1 1 30 30 ASN ND2 N 15 117.057 . . 1 . . . . 30 Asn ND2 . 16563 1 364 . 1 1 31 31 GLU H H 1 9.531 . . 1 . . . . 31 Glu H . 16563 1 365 . 1 1 31 31 GLU HA H 1 4.896 . . 1 . . . . 31 Glu HA . 16563 1 366 . 1 1 31 31 GLU HB2 H 1 2.164 . . 2 . . . . 31 Glu HB2 . 16563 1 367 . 1 1 31 31 GLU HB3 H 1 2.164 . . 2 . . . . 31 Glu HB3 . 16563 1 368 . 1 1 31 31 GLU HG2 H 1 2.396 . . 2 . . . . 31 Glu HG2 . 16563 1 369 . 1 1 31 31 GLU HG3 H 1 2.318 . . 2 . . . . 31 Glu HG3 . 16563 1 370 . 1 1 31 31 GLU C C 13 174.079 . . 1 . . . . 31 Glu C . 16563 1 371 . 1 1 31 31 GLU CA C 13 55.488 . . 1 . . . . 31 Glu CA . 16563 1 372 . 1 1 31 31 GLU CB C 13 34.037 . . 1 . . . . 31 Glu CB . 16563 1 373 . 1 1 31 31 GLU CG C 13 36.975 . . 1 . . . . 31 Glu CG . 16563 1 374 . 1 1 31 31 GLU N N 15 126.516 . . 1 . . . . 31 Glu N . 16563 1 375 . 1 1 32 32 GLN H H 1 8.823 . . 1 . . . . 32 Gln H . 16563 1 376 . 1 1 32 32 GLN HA H 1 5.613 . . 1 . . . . 32 Gln HA . 16563 1 377 . 1 1 32 32 GLN HB2 H 1 2.137 . . 2 . . . . 32 Gln HB2 . 16563 1 378 . 1 1 32 32 GLN HB3 H 1 1.780 . . 2 . . . . 32 Gln HB3 . 16563 1 379 . 1 1 32 32 GLN HE21 H 1 7.815 . . 2 . . . . 32 Gln HE21 . 16563 1 380 . 1 1 32 32 GLN HE22 H 1 6.701 . . 2 . . . . 32 Gln HE22 . 16563 1 381 . 1 1 32 32 GLN HG2 H 1 2.205 . . 2 . . . . 32 Gln HG2 . 16563 1 382 . 1 1 32 32 GLN HG3 H 1 2.548 . . 2 . . . . 32 Gln HG3 . 16563 1 383 . 1 1 32 32 GLN C C 13 175.654 . . 1 . . . . 32 Gln C . 16563 1 384 . 1 1 32 32 GLN CA C 13 53.886 . . 1 . . . . 32 Gln CA . 16563 1 385 . 1 1 32 32 GLN CB C 13 32.484 . . 1 . . . . 32 Gln CB . 16563 1 386 . 1 1 32 32 GLN CG C 13 34.092 . . 1 . . . . 32 Gln CG . 16563 1 387 . 1 1 32 32 GLN N N 15 122.567 . . 1 . . . . 32 Gln N . 16563 1 388 . 1 1 32 32 GLN NE2 N 15 111.756 . . 1 . . . . 32 Gln NE2 . 16563 1 389 . 1 1 33 33 PHE H H 1 8.318 . . 1 . . . . 33 Phe H . 16563 1 390 . 1 1 33 33 PHE HA H 1 5.026 . . 1 . . . . 33 Phe HA . 16563 1 391 . 1 1 33 33 PHE HB2 H 1 3.334 . . 2 . . . . 33 Phe HB2 . 16563 1 392 . 1 1 33 33 PHE HB3 H 1 3.026 . . 2 . . . . 33 Phe HB3 . 16563 1 393 . 1 1 33 33 PHE HD1 H 1 6.882 . . 2 . . . . 33 Phe HD1 . 16563 1 394 . 1 1 33 33 PHE HD2 H 1 6.880 . . 2 . . . . 33 Phe HD2 . 16563 1 395 . 1 1 33 33 PHE HE1 H 1 6.880 . . 2 . . . . 33 Phe HE1 . 16563 1 396 . 1 1 33 33 PHE HE2 H 1 6.880 . . 2 . . . . 33 Phe HE2 . 16563 1 397 . 1 1 33 33 PHE HZ H 1 6.750 . . 1 . . . . 33 Phe HZ . 16563 1 398 . 1 1 33 33 PHE C C 13 172.616 . . 1 . . . . 33 Phe C . 16563 1 399 . 1 1 33 33 PHE CA C 13 56.082 . . 1 . . . . 33 Phe CA . 16563 1 400 . 1 1 33 33 PHE CB C 13 40.025 . . 1 . . . . 33 Phe CB . 16563 1 401 . 1 1 33 33 PHE CD1 C 13 133.229 . . 2 . . . . 33 Phe CD1 . 16563 1 402 . 1 1 33 33 PHE CD2 C 13 133.221 . . 2 . . . . 33 Phe CD2 . 16563 1 403 . 1 1 33 33 PHE CE1 C 13 129.866 . . 2 . . . . 33 Phe CE1 . 16563 1 404 . 1 1 33 33 PHE CE2 C 13 129.866 . . 2 . . . . 33 Phe CE2 . 16563 1 405 . 1 1 33 33 PHE CZ C 13 127.991 . . 1 . . . . 33 Phe CZ . 16563 1 406 . 1 1 33 33 PHE N N 15 117.447 . . 1 . . . . 33 Phe N . 16563 1 407 . 1 1 34 34 THR H H 1 9.075 . . 1 . . . . 34 Thr H . 16563 1 408 . 1 1 34 34 THR HA H 1 5.021 . . 1 . . . . 34 Thr HA . 16563 1 409 . 1 1 34 34 THR HB H 1 3.971 . . 1 . . . . 34 Thr HB . 16563 1 410 . 1 1 34 34 THR HG21 H 1 1.120 . . 1 . . . . 34 Thr HG2 . 16563 1 411 . 1 1 34 34 THR HG22 H 1 1.120 . . 1 . . . . 34 Thr HG2 . 16563 1 412 . 1 1 34 34 THR HG23 H 1 1.120 . . 1 . . . . 34 Thr HG2 . 16563 1 413 . 1 1 34 34 THR C C 13 174.635 . . 1 . . . . 34 Thr C . 16563 1 414 . 1 1 34 34 THR CA C 13 62.404 . . 1 . . . . 34 Thr CA . 16563 1 415 . 1 1 34 34 THR CB C 13 70.189 . . 1 . . . . 34 Thr CB . 16563 1 416 . 1 1 34 34 THR CG2 C 13 22.656 . . 1 . . . . 34 Thr CG2 . 16563 1 417 . 1 1 34 34 THR N N 15 118.314 . . 1 . . . . 34 Thr N . 16563 1 418 . 1 1 35 35 ILE H H 1 9.081 . . 1 . . . . 35 Ile H . 16563 1 419 . 1 1 35 35 ILE HA H 1 4.400 . . 1 . . . . 35 Ile HA . 16563 1 420 . 1 1 35 35 ILE HB H 1 1.815 . . 1 . . . . 35 Ile HB . 16563 1 421 . 1 1 35 35 ILE HD11 H 1 0.909 . . 1 . . . . 35 Ile HD1 . 16563 1 422 . 1 1 35 35 ILE HD12 H 1 0.909 . . 1 . . . . 35 Ile HD1 . 16563 1 423 . 1 1 35 35 ILE HD13 H 1 0.909 . . 1 . . . . 35 Ile HD1 . 16563 1 424 . 1 1 35 35 ILE HG12 H 1 1.644 . . 2 . . . . 35 Ile HG12 . 16563 1 425 . 1 1 35 35 ILE HG13 H 1 1.241 . . 2 . . . . 35 Ile HG13 . 16563 1 426 . 1 1 35 35 ILE HG21 H 1 0.818 . . 1 . . . . 35 Ile HG2 . 16563 1 427 . 1 1 35 35 ILE HG22 H 1 0.818 . . 1 . . . . 35 Ile HG2 . 16563 1 428 . 1 1 35 35 ILE HG23 H 1 0.818 . . 1 . . . . 35 Ile HG2 . 16563 1 429 . 1 1 35 35 ILE C C 13 175.980 . . 1 . . . . 35 Ile C . 16563 1 430 . 1 1 35 35 ILE CA C 13 59.828 . . 1 . . . . 35 Ile CA . 16563 1 431 . 1 1 35 35 ILE CB C 13 39.560 . . 1 . . . . 35 Ile CB . 16563 1 432 . 1 1 35 35 ILE CD1 C 13 14.495 . . 1 . . . . 35 Ile CD1 . 16563 1 433 . 1 1 35 35 ILE CG1 C 13 26.835 . . 1 . . . . 35 Ile CG1 . 16563 1 434 . 1 1 35 35 ILE CG2 C 13 17.509 . . 1 . . . . 35 Ile CG2 . 16563 1 435 . 1 1 35 35 ILE N N 15 127.131 . . 1 . . . . 35 Ile N . 16563 1 436 . 1 1 36 36 LYS H H 1 9.316 . . 1 . . . . 36 Lys H . 16563 1 437 . 1 1 36 36 LYS HA H 1 4.627 . . 1 . . . . 36 Lys HA . 16563 1 438 . 1 1 36 36 LYS HB2 H 1 1.793 . . 2 . . . . 36 Lys HB2 . 16563 1 439 . 1 1 36 36 LYS HB3 H 1 2.012 . . 2 . . . . 36 Lys HB3 . 16563 1 440 . 1 1 36 36 LYS HD2 H 1 1.731 . . 2 . . . . 36 Lys HD2 . 16563 1 441 . 1 1 36 36 LYS HD3 H 1 1.731 . . 2 . . . . 36 Lys HD3 . 16563 1 442 . 1 1 36 36 LYS HE2 H 1 3.023 . . 2 . . . . 36 Lys HE2 . 16563 1 443 . 1 1 36 36 LYS HE3 H 1 3.023 . . 2 . . . . 36 Lys HE3 . 16563 1 444 . 1 1 36 36 LYS HG2 H 1 1.548 . . 2 . . . . 36 Lys HG2 . 16563 1 445 . 1 1 36 36 LYS HG3 H 1 1.443 . . 2 . . . . 36 Lys HG3 . 16563 1 446 . 1 1 36 36 LYS C C 13 176.412 . . 1 . . . . 36 Lys C . 16563 1 447 . 1 1 36 36 LYS CA C 13 56.355 . . 1 . . . . 36 Lys CA . 16563 1 448 . 1 1 36 36 LYS CB C 13 33.397 . . 1 . . . . 36 Lys CB . 16563 1 449 . 1 1 36 36 LYS CD C 13 28.717 . . 1 . . . . 36 Lys CD . 16563 1 450 . 1 1 36 36 LYS CE C 13 41.951 . . 1 . . . . 36 Lys CE . 16563 1 451 . 1 1 36 36 LYS CG C 13 25.127 . . 1 . . . . 36 Lys CG . 16563 1 452 . 1 1 36 36 LYS N N 15 131.473 . . 1 . . . . 36 Lys N . 16563 1 453 . 1 1 37 37 GLY H H 1 7.971 . . 1 . . . . 37 Gly H . 16563 1 454 . 1 1 37 37 GLY HA2 H 1 4.395 . . 2 . . . . 37 Gly HA2 . 16563 1 455 . 1 1 37 37 GLY HA3 H 1 3.481 . . 2 . . . . 37 Gly HA3 . 16563 1 456 . 1 1 37 37 GLY C C 13 172.865 . . 1 . . . . 37 Gly C . 16563 1 457 . 1 1 37 37 GLY CA C 13 44.206 . . 1 . . . . 37 Gly CA . 16563 1 458 . 1 1 37 37 GLY N N 15 113.290 . . 1 . . . . 37 Gly N . 16563 1 459 . 1 1 38 38 LYS H H 1 7.977 . . 1 . . . . 38 Lys H . 16563 1 460 . 1 1 38 38 LYS HA H 1 4.256 . . 1 . . . . 38 Lys HA . 16563 1 461 . 1 1 38 38 LYS HB2 H 1 1.649 . . 2 . . . . 38 Lys HB2 . 16563 1 462 . 1 1 38 38 LYS HB3 H 1 1.649 . . 2 . . . . 38 Lys HB3 . 16563 1 463 . 1 1 38 38 LYS HD2 H 1 1.667 . . 2 . . . . 38 Lys HD2 . 16563 1 464 . 1 1 38 38 LYS HD3 H 1 1.667 . . 2 . . . . 38 Lys HD3 . 16563 1 465 . 1 1 38 38 LYS HE2 H 1 2.987 . . 2 . . . . 38 Lys HE2 . 16563 1 466 . 1 1 38 38 LYS HE3 H 1 2.987 . . 2 . . . . 38 Lys HE3 . 16563 1 467 . 1 1 38 38 LYS HG2 H 1 1.437 . . 2 . . . . 38 Lys HG2 . 16563 1 468 . 1 1 38 38 LYS HG3 H 1 1.361 . . 2 . . . . 38 Lys HG3 . 16563 1 469 . 1 1 38 38 LYS C C 13 177.854 . . 1 . . . . 38 Lys C . 16563 1 470 . 1 1 38 38 LYS CA C 13 55.703 . . 1 . . . . 38 Lys CA . 16563 1 471 . 1 1 38 38 LYS CB C 13 33.109 . . 1 . . . . 38 Lys CB . 16563 1 472 . 1 1 38 38 LYS CD C 13 29.116 . . 1 . . . . 38 Lys CD . 16563 1 473 . 1 1 38 38 LYS CE C 13 42.225 . . 1 . . . . 38 Lys CE . 16563 1 474 . 1 1 38 38 LYS CG C 13 24.697 . . 1 . . . . 38 Lys CG . 16563 1 475 . 1 1 38 38 LYS N N 15 123.418 . . 1 . . . . 38 Lys N . 16563 1 476 . 1 1 39 39 GLY H H 1 8.789 . . 1 . . . . 39 Gly H . 16563 1 477 . 1 1 39 39 GLY HA2 H 1 3.703 . . 2 . . . . 39 Gly HA2 . 16563 1 478 . 1 1 39 39 GLY HA3 H 1 3.794 . . 2 . . . . 39 Gly HA3 . 16563 1 479 . 1 1 39 39 GLY C C 13 174.770 . . 1 . . . . 39 Gly C . 16563 1 480 . 1 1 39 39 GLY CA C 13 47.287 . . 1 . . . . 39 Gly CA . 16563 1 481 . 1 1 39 39 GLY N N 15 113.099 . . 1 . . . . 39 Gly N . 16563 1 482 . 1 1 40 40 ALA H H 1 8.881 . . 1 . . . . 40 Ala H . 16563 1 483 . 1 1 40 40 ALA HA H 1 4.399 . . 1 . . . . 40 Ala HA . 16563 1 484 . 1 1 40 40 ALA HB1 H 1 1.407 . . 1 . . . . 40 Ala HB . 16563 1 485 . 1 1 40 40 ALA HB2 H 1 1.407 . . 1 . . . . 40 Ala HB . 16563 1 486 . 1 1 40 40 ALA HB3 H 1 1.407 . . 1 . . . . 40 Ala HB . 16563 1 487 . 1 1 40 40 ALA C C 13 178.801 . . 1 . . . . 40 Ala C . 16563 1 488 . 1 1 40 40 ALA CA C 13 51.658 . . 1 . . . . 40 Ala CA . 16563 1 489 . 1 1 40 40 ALA CB C 13 19.137 . . 1 . . . . 40 Ala CB . 16563 1 490 . 1 1 40 40 ALA N N 15 129.184 . . 1 . . . . 40 Ala N . 16563 1 491 . 1 1 41 41 GLN H H 1 7.959 . . 1 . . . . 41 Gln H . 16563 1 492 . 1 1 41 41 GLN HA H 1 3.954 . . 1 . . . . 41 Gln HA . 16563 1 493 . 1 1 41 41 GLN HB2 H 1 0.116 . . 2 . . . . 41 Gln HB2 . 16563 1 494 . 1 1 41 41 GLN HB3 H 1 1.654 . . 2 . . . . 41 Gln HB3 . 16563 1 495 . 1 1 41 41 GLN HE21 H 1 7.603 . . 2 . . . . 41 Gln HE21 . 16563 1 496 . 1 1 41 41 GLN HE22 H 1 6.454 . . 2 . . . . 41 Gln HE22 . 16563 1 497 . 1 1 41 41 GLN HG2 H 1 2.525 . . 2 . . . . 41 Gln HG2 . 16563 1 498 . 1 1 41 41 GLN HG3 H 1 2.011 . . 2 . . . . 41 Gln HG3 . 16563 1 499 . 1 1 41 41 GLN C C 13 177.363 . . 1 . . . . 41 Gln C . 16563 1 500 . 1 1 41 41 GLN CA C 13 57.174 . . 1 . . . . 41 Gln CA . 16563 1 501 . 1 1 41 41 GLN CB C 13 28.718 . . 1 . . . . 41 Gln CB . 16563 1 502 . 1 1 41 41 GLN CG C 13 33.242 . . 1 . . . . 41 Gln CG . 16563 1 503 . 1 1 41 41 GLN N N 15 120.540 . . 1 . . . . 41 Gln N . 16563 1 504 . 1 1 41 41 GLN NE2 N 15 109.490 . . 1 . . . . 41 Gln NE2 . 16563 1 505 . 1 1 42 42 TYR H H 1 8.758 . . 1 . . . . 42 Tyr H . 16563 1 506 . 1 1 42 42 TYR HA H 1 5.436 . . 1 . . . . 42 Tyr HA . 16563 1 507 . 1 1 42 42 TYR HB2 H 1 2.886 . . 2 . . . . 42 Tyr HB2 . 16563 1 508 . 1 1 42 42 TYR HB3 H 1 2.691 . . 2 . . . . 42 Tyr HB3 . 16563 1 509 . 1 1 42 42 TYR HD1 H 1 6.932 . . 2 . . . . 42 Tyr HD1 . 16563 1 510 . 1 1 42 42 TYR HD2 H 1 6.932 . . 2 . . . . 42 Tyr HD2 . 16563 1 511 . 1 1 42 42 TYR HE1 H 1 6.629 . . 2 . . . . 42 Tyr HE1 . 16563 1 512 . 1 1 42 42 TYR HE2 H 1 6.629 . . 2 . . . . 42 Tyr HE2 . 16563 1 513 . 1 1 42 42 TYR C C 13 173.668 . . 1 . . . . 42 Tyr C . 16563 1 514 . 1 1 42 42 TYR CA C 13 57.134 . . 1 . . . . 42 Tyr CA . 16563 1 515 . 1 1 42 42 TYR CB C 13 41.359 . . 1 . . . . 42 Tyr CB . 16563 1 516 . 1 1 42 42 TYR CD1 C 13 133.373 . . 2 . . . . 42 Tyr CD1 . 16563 1 517 . 1 1 42 42 TYR CD2 C 13 133.373 . . 2 . . . . 42 Tyr CD2 . 16563 1 518 . 1 1 42 42 TYR CE1 C 13 117.627 . . 2 . . . . 42 Tyr CE1 . 16563 1 519 . 1 1 42 42 TYR CE2 C 13 117.627 . . 2 . . . . 42 Tyr CE2 . 16563 1 520 . 1 1 42 42 TYR N N 15 121.537 . . 1 . . . . 42 Tyr N . 16563 1 521 . 1 1 43 43 ASN H H 1 8.417 . . 1 . . . . 43 Asn H . 16563 1 522 . 1 1 43 43 ASN HA H 1 4.779 . . 1 . . . . 43 Asn HA . 16563 1 523 . 1 1 43 43 ASN HB2 H 1 2.369 . . 2 . . . . 43 Asn HB2 . 16563 1 524 . 1 1 43 43 ASN HB3 H 1 2.369 . . 2 . . . . 43 Asn HB3 . 16563 1 525 . 1 1 43 43 ASN HD21 H 1 6.845 . . 2 . . . . 43 Asn HD21 . 16563 1 526 . 1 1 43 43 ASN HD22 H 1 6.565 . . 2 . . . . 43 Asn HD22 . 16563 1 527 . 1 1 43 43 ASN C C 13 171.910 . . 1 . . . . 43 Asn C . 16563 1 528 . 1 1 43 43 ASN CA C 13 54.162 . . 1 . . . . 43 Asn CA . 16563 1 529 . 1 1 43 43 ASN CB C 13 42.431 . . 1 . . . . 43 Asn CB . 16563 1 530 . 1 1 43 43 ASN N N 15 112.825 . . 1 . . . . 43 Asn N . 16563 1 531 . 1 1 43 43 ASN ND2 N 15 115.671 . . 1 . . . . 43 Asn ND2 . 16563 1 532 . 1 1 44 44 LEU H H 1 9.374 . . 1 . . . . 44 Leu H . 16563 1 533 . 1 1 44 44 LEU HA H 1 4.760 . . 1 . . . . 44 Leu HA . 16563 1 534 . 1 1 44 44 LEU HB2 H 1 2.234 . . 2 . . . . 44 Leu HB2 . 16563 1 535 . 1 1 44 44 LEU HB3 H 1 1.380 . . 2 . . . . 44 Leu HB3 . 16563 1 536 . 1 1 44 44 LEU HD11 H 1 0.828 . . 2 . . . . 44 Leu HD1 . 16563 1 537 . 1 1 44 44 LEU HD12 H 1 0.828 . . 2 . . . . 44 Leu HD1 . 16563 1 538 . 1 1 44 44 LEU HD13 H 1 0.828 . . 2 . . . . 44 Leu HD1 . 16563 1 539 . 1 1 44 44 LEU HD21 H 1 0.839 . . 2 . . . . 44 Leu HD2 . 16563 1 540 . 1 1 44 44 LEU HD22 H 1 0.839 . . 2 . . . . 44 Leu HD2 . 16563 1 541 . 1 1 44 44 LEU HD23 H 1 0.839 . . 2 . . . . 44 Leu HD2 . 16563 1 542 . 1 1 44 44 LEU HG H 1 1.365 . . 1 . . . . 44 Leu HG . 16563 1 543 . 1 1 44 44 LEU C C 13 174.066 . . 1 . . . . 44 Leu C . 16563 1 544 . 1 1 44 44 LEU CA C 13 55.196 . . 1 . . . . 44 Leu CA . 16563 1 545 . 1 1 44 44 LEU CB C 13 42.567 . . 1 . . . . 44 Leu CB . 16563 1 546 . 1 1 44 44 LEU CD1 C 13 23.743 . . 2 . . . . 44 Leu CD1 . 16563 1 547 . 1 1 44 44 LEU CD2 C 13 25.965 . . 2 . . . . 44 Leu CD2 . 16563 1 548 . 1 1 44 44 LEU CG C 13 27.903 . . 1 . . . . 44 Leu CG . 16563 1 549 . 1 1 44 44 LEU N N 15 128.409 . . 1 . . . . 44 Leu N . 16563 1 550 . 1 1 45 45 MET H H 1 9.007 . . 1 . . . . 45 Met H . 16563 1 551 . 1 1 45 45 MET HA H 1 4.766 . . 1 . . . . 45 Met HA . 16563 1 552 . 1 1 45 45 MET HB2 H 1 1.076 . . 2 . . . . 45 Met HB2 . 16563 1 553 . 1 1 45 45 MET HB3 H 1 0.495 . . 2 . . . . 45 Met HB3 . 16563 1 554 . 1 1 45 45 MET HE1 H 1 1.518 . . 1 . . . . 45 Met HE . 16563 1 555 . 1 1 45 45 MET HE2 H 1 1.518 . . 1 . . . . 45 Met HE . 16563 1 556 . 1 1 45 45 MET HE3 H 1 1.518 . . 1 . . . . 45 Met HE . 16563 1 557 . 1 1 45 45 MET HG2 H 1 2.146 . . 2 . . . . 45 Met HG2 . 16563 1 558 . 1 1 45 45 MET HG3 H 1 2.089 . . 2 . . . . 45 Met HG3 . 16563 1 559 . 1 1 45 45 MET C C 13 174.485 . . 1 . . . . 45 Met C . 16563 1 560 . 1 1 45 45 MET CA C 13 52.178 . . 1 . . . . 45 Met CA . 16563 1 561 . 1 1 45 45 MET CB C 13 30.354 . . 1 . . . . 45 Met CB . 16563 1 562 . 1 1 45 45 MET CE C 13 14.643 . . 1 . . . . 45 Met CE . 16563 1 563 . 1 1 45 45 MET CG C 13 32.252 . . 1 . . . . 45 Met CG . 16563 1 564 . 1 1 45 45 MET N N 15 126.006 . . 1 . . . . 45 Met N . 16563 1 565 . 1 1 46 46 GLU H H 1 8.642 . . 1 . . . . 46 Glu H . 16563 1 566 . 1 1 46 46 GLU HA H 1 5.068 . . 1 . . . . 46 Glu HA . 16563 1 567 . 1 1 46 46 GLU HB2 H 1 1.750 . . 2 . . . . 46 Glu HB2 . 16563 1 568 . 1 1 46 46 GLU HB3 H 1 1.504 . . 2 . . . . 46 Glu HB3 . 16563 1 569 . 1 1 46 46 GLU HG2 H 1 2.298 . . 2 . . . . 46 Glu HG2 . 16563 1 570 . 1 1 46 46 GLU HG3 H 1 2.124 . . 2 . . . . 46 Glu HG3 . 16563 1 571 . 1 1 46 46 GLU C C 13 173.237 . . 1 . . . . 46 Glu C . 16563 1 572 . 1 1 46 46 GLU CA C 13 54.592 . . 1 . . . . 46 Glu CA . 16563 1 573 . 1 1 46 46 GLU CB C 13 35.340 . . 1 . . . . 46 Glu CB . 16563 1 574 . 1 1 46 46 GLU CG C 13 35.939 . . 1 . . . . 46 Glu CG . 16563 1 575 . 1 1 46 46 GLU N N 15 120.778 . . 1 . . . . 46 Glu N . 16563 1 576 . 1 1 47 47 VAL H H 1 9.376 . . 1 . . . . 47 Val H . 16563 1 577 . 1 1 47 47 VAL HA H 1 5.053 . . 1 . . . . 47 Val HA . 16563 1 578 . 1 1 47 47 VAL HB H 1 1.903 . . 1 . . . . 47 Val HB . 16563 1 579 . 1 1 47 47 VAL HG11 H 1 0.385 . . 2 . . . . 47 Val HG1 . 16563 1 580 . 1 1 47 47 VAL HG12 H 1 0.385 . . 2 . . . . 47 Val HG1 . 16563 1 581 . 1 1 47 47 VAL HG13 H 1 0.385 . . 2 . . . . 47 Val HG1 . 16563 1 582 . 1 1 47 47 VAL HG21 H 1 0.849 . . 2 . . . . 47 Val HG2 . 16563 1 583 . 1 1 47 47 VAL HG22 H 1 0.849 . . 2 . . . . 47 Val HG2 . 16563 1 584 . 1 1 47 47 VAL HG23 H 1 0.849 . . 2 . . . . 47 Val HG2 . 16563 1 585 . 1 1 47 47 VAL C C 13 175.075 . . 1 . . . . 47 Val C . 16563 1 586 . 1 1 47 47 VAL CA C 13 60.260 . . 1 . . . . 47 Val CA . 16563 1 587 . 1 1 47 47 VAL CB C 13 32.807 . . 1 . . . . 47 Val CB . 16563 1 588 . 1 1 47 47 VAL CG1 C 13 20.853 . . 2 . . . . 47 Val CG1 . 16563 1 589 . 1 1 47 47 VAL CG2 C 13 20.887 . . 2 . . . . 47 Val CG2 . 16563 1 590 . 1 1 47 47 VAL N N 15 127.144 . . 1 . . . . 47 Val N . 16563 1 591 . 1 1 48 48 ASP H H 1 8.620 . . 1 . . . . 48 Asp H . 16563 1 592 . 1 1 48 48 ASP HA H 1 5.617 . . 1 . . . . 48 Asp HA . 16563 1 593 . 1 1 48 48 ASP HB2 H 1 2.416 . . 2 . . . . 48 Asp HB2 . 16563 1 594 . 1 1 48 48 ASP HB3 H 1 2.521 . . 2 . . . . 48 Asp HB3 . 16563 1 595 . 1 1 48 48 ASP C C 13 176.508 . . 1 . . . . 48 Asp C . 16563 1 596 . 1 1 48 48 ASP CA C 13 53.191 . . 1 . . . . 48 Asp CA . 16563 1 597 . 1 1 48 48 ASP CB C 13 46.076 . . 1 . . . . 48 Asp CB . 16563 1 598 . 1 1 48 48 ASP N N 15 127.406 . . 1 . . . . 48 Asp N . 16563 1 599 . 1 1 49 49 GLY H H 1 9.212 . . 1 . . . . 49 Gly H . 16563 1 600 . 1 1 49 49 GLY HA2 H 1 3.857 . . 2 . . . . 49 Gly HA2 . 16563 1 601 . 1 1 49 49 GLY HA3 H 1 3.987 . . 2 . . . . 49 Gly HA3 . 16563 1 602 . 1 1 49 49 GLY CA C 13 47.577 . . 1 . . . . 49 Gly CA . 16563 1 603 . 1 1 49 49 GLY N N 15 115.426 . . 1 . . . . 49 Gly N . 16563 1 604 . 1 1 50 50 GLU HA H 1 4.761 . . 1 . . . . 50 Glu HA . 16563 1 605 . 1 1 50 50 GLU HB2 H 1 2.087 . . 2 . . . . 50 Glu HB2 . 16563 1 606 . 1 1 50 50 GLU HB3 H 1 1.869 . . 2 . . . . 50 Glu HB3 . 16563 1 607 . 1 1 50 50 GLU HG2 H 1 2.682 . . 2 . . . . 50 Glu HG2 . 16563 1 608 . 1 1 50 50 GLU HG3 H 1 2.449 . . 2 . . . . 50 Glu HG3 . 16563 1 609 . 1 1 50 50 GLU C C 13 174.013 . . 1 . . . . 50 Glu C . 16563 1 610 . 1 1 50 50 GLU CA C 13 55.087 . . 1 . . . . 50 Glu CA . 16563 1 611 . 1 1 50 50 GLU CB C 13 28.592 . . 1 . . . . 50 Glu CB . 16563 1 612 . 1 1 50 50 GLU CG C 13 36.814 . . 1 . . . . 50 Glu CG . 16563 1 613 . 1 1 51 51 ARG H H 1 7.637 . . 1 . . . . 51 Arg H . 16563 1 614 . 1 1 51 51 ARG HA H 1 5.249 . . 1 . . . . 51 Arg HA . 16563 1 615 . 1 1 51 51 ARG HB2 H 1 1.761 . . 2 . . . . 51 Arg HB2 . 16563 1 616 . 1 1 51 51 ARG HB3 H 1 1.761 . . 2 . . . . 51 Arg HB3 . 16563 1 617 . 1 1 51 51 ARG HD2 H 1 2.800 . . 2 . . . . 51 Arg HD2 . 16563 1 618 . 1 1 51 51 ARG HD3 H 1 2.304 . . 2 . . . . 51 Arg HD3 . 16563 1 619 . 1 1 51 51 ARG HE H 1 5.805 . . 1 . . . . 51 Arg HE . 16563 1 620 . 1 1 51 51 ARG HG2 H 1 1.591 . . 2 . . . . 51 Arg HG2 . 16563 1 621 . 1 1 51 51 ARG HG3 H 1 1.357 . . 2 . . . . 51 Arg HG3 . 16563 1 622 . 1 1 51 51 ARG C C 13 173.605 . . 1 . . . . 51 Arg C . 16563 1 623 . 1 1 51 51 ARG CA C 13 54.189 . . 1 . . . . 51 Arg CA . 16563 1 624 . 1 1 51 51 ARG CB C 13 34.782 . . 1 . . . . 51 Arg CB . 16563 1 625 . 1 1 51 51 ARG CD C 13 43.953 . . 1 . . . . 51 Arg CD . 16563 1 626 . 1 1 51 51 ARG CG C 13 25.829 . . 1 . . . . 51 Arg CG . 16563 1 627 . 1 1 51 51 ARG N N 15 115.764 . . 1 . . . . 51 Arg N . 16563 1 628 . 1 1 51 51 ARG NE N 15 82.547 . . 1 . . . . 51 Arg NE . 16563 1 629 . 1 1 52 52 ILE H H 1 9.035 . . 1 . . . . 52 Ile H . 16563 1 630 . 1 1 52 52 ILE HA H 1 6.004 . . 1 . . . . 52 Ile HA . 16563 1 631 . 1 1 52 52 ILE HB H 1 1.522 . . 1 . . . . 52 Ile HB . 16563 1 632 . 1 1 52 52 ILE HD11 H 1 0.632 . . 1 . . . . 52 Ile HD1 . 16563 1 633 . 1 1 52 52 ILE HD12 H 1 0.632 . . 1 . . . . 52 Ile HD1 . 16563 1 634 . 1 1 52 52 ILE HD13 H 1 0.632 . . 1 . . . . 52 Ile HD1 . 16563 1 635 . 1 1 52 52 ILE HG12 H 1 1.798 . . 2 . . . . 52 Ile HG12 . 16563 1 636 . 1 1 52 52 ILE HG13 H 1 0.714 . . 2 . . . . 52 Ile HG13 . 16563 1 637 . 1 1 52 52 ILE HG21 H 1 0.755 . . 1 . . . . 52 Ile HG2 . 16563 1 638 . 1 1 52 52 ILE HG22 H 1 0.755 . . 1 . . . . 52 Ile HG2 . 16563 1 639 . 1 1 52 52 ILE HG23 H 1 0.755 . . 1 . . . . 52 Ile HG2 . 16563 1 640 . 1 1 52 52 ILE C C 13 171.764 . . 1 . . . . 52 Ile C . 16563 1 641 . 1 1 52 52 ILE CA C 13 58.182 . . 1 . . . . 52 Ile CA . 16563 1 642 . 1 1 52 52 ILE CB C 13 43.165 . . 1 . . . . 52 Ile CB . 16563 1 643 . 1 1 52 52 ILE CD1 C 13 15.050 . . 1 . . . . 52 Ile CD1 . 16563 1 644 . 1 1 52 52 ILE CG1 C 13 28.769 . . 1 . . . . 52 Ile CG1 . 16563 1 645 . 1 1 52 52 ILE CG2 C 13 14.885 . . 1 . . . . 52 Ile CG2 . 16563 1 646 . 1 1 52 52 ILE N N 15 117.705 . . 1 . . . . 52 Ile N . 16563 1 647 . 1 1 53 53 ARG H H 1 8.824 . . 1 . . . . 53 Arg H . 16563 1 648 . 1 1 53 53 ARG HA H 1 4.609 . . 1 . . . . 53 Arg HA . 16563 1 649 . 1 1 53 53 ARG HB2 H 1 1.074 . . 2 . . . . 53 Arg HB2 . 16563 1 650 . 1 1 53 53 ARG HB3 H 1 0.762 . . 2 . . . . 53 Arg HB3 . 16563 1 651 . 1 1 53 53 ARG HD2 H 1 0.103 . . 2 . . . . 53 Arg HD2 . 16563 1 652 . 1 1 53 53 ARG HD3 H 1 2.127 . . 2 . . . . 53 Arg HD3 . 16563 1 653 . 1 1 53 53 ARG HE H 1 6.129 . . 1 . . . . 53 Arg HE . 16563 1 654 . 1 1 53 53 ARG HG2 H 1 0.293 . . 2 . . . . 53 Arg HG2 . 16563 1 655 . 1 1 53 53 ARG HG3 H 1 0.224 . . 2 . . . . 53 Arg HG3 . 16563 1 656 . 1 1 53 53 ARG C C 13 175.432 . . 1 . . . . 53 Arg C . 16563 1 657 . 1 1 53 53 ARG CA C 13 54.310 . . 1 . . . . 53 Arg CA . 16563 1 658 . 1 1 53 53 ARG CB C 13 33.547 . . 1 . . . . 53 Arg CB . 16563 1 659 . 1 1 53 53 ARG CD C 13 42.619 . . 1 . . . . 53 Arg CD . 16563 1 660 . 1 1 53 53 ARG CG C 13 24.428 . . 1 . . . . 53 Arg CG . 16563 1 661 . 1 1 53 53 ARG N N 15 120.372 . . 1 . . . . 53 Arg N . 16563 1 662 . 1 1 53 53 ARG NE N 15 84.563 . . 1 . . . . 53 Arg NE . 16563 1 663 . 1 1 54 54 ILE H H 1 9.002 . . 1 . . . . 54 Ile H . 16563 1 664 . 1 1 54 54 ILE HA H 1 4.199 . . 1 . . . . 54 Ile HA . 16563 1 665 . 1 1 54 54 ILE HB H 1 1.328 . . 1 . . . . 54 Ile HB . 16563 1 666 . 1 1 54 54 ILE HD11 H 1 0.506 . . 1 . . . . 54 Ile HD1 . 16563 1 667 . 1 1 54 54 ILE HD12 H 1 0.506 . . 1 . . . . 54 Ile HD1 . 16563 1 668 . 1 1 54 54 ILE HD13 H 1 0.506 . . 1 . . . . 54 Ile HD1 . 16563 1 669 . 1 1 54 54 ILE HG12 H 1 1.459 . . 2 . . . . 54 Ile HG12 . 16563 1 670 . 1 1 54 54 ILE HG13 H 1 0.750 . . 2 . . . . 54 Ile HG13 . 16563 1 671 . 1 1 54 54 ILE HG21 H 1 0.750 . . 1 . . . . 54 Ile HG2 . 16563 1 672 . 1 1 54 54 ILE HG22 H 1 0.750 . . 1 . . . . 54 Ile HG2 . 16563 1 673 . 1 1 54 54 ILE HG23 H 1 0.750 . . 1 . . . . 54 Ile HG2 . 16563 1 674 . 1 1 54 54 ILE C C 13 175.223 . . 1 . . . . 54 Ile C . 16563 1 675 . 1 1 54 54 ILE CA C 13 61.769 . . 1 . . . . 54 Ile CA . 16563 1 676 . 1 1 54 54 ILE CB C 13 37.716 . . 1 . . . . 54 Ile CB . 16563 1 677 . 1 1 54 54 ILE CD1 C 13 13.926 . . 1 . . . . 54 Ile CD1 . 16563 1 678 . 1 1 54 54 ILE CG1 C 13 26.913 . . 1 . . . . 54 Ile CG1 . 16563 1 679 . 1 1 54 54 ILE CG2 C 13 19.126 . . 1 . . . . 54 Ile CG2 . 16563 1 680 . 1 1 54 54 ILE N N 15 119.166 . . 1 . . . . 54 Ile N . 16563 1 681 . 1 1 55 55 LYS H H 1 8.918 . . 1 . . . . 55 Lys H . 16563 1 682 . 1 1 55 55 LYS HA H 1 3.562 . . 1 . . . . 55 Lys HA . 16563 1 683 . 1 1 55 55 LYS HB2 H 1 1.756 . . 2 . . . . 55 Lys HB2 . 16563 1 684 . 1 1 55 55 LYS HB3 H 1 1.371 . . 2 . . . . 55 Lys HB3 . 16563 1 685 . 1 1 55 55 LYS HD2 H 1 1.644 . . 2 . . . . 55 Lys HD2 . 16563 1 686 . 1 1 55 55 LYS HD3 H 1 1.300 . . 2 . . . . 55 Lys HD3 . 16563 1 687 . 1 1 55 55 LYS HE2 H 1 2.887 . . 2 . . . . 55 Lys HE2 . 16563 1 688 . 1 1 55 55 LYS HE3 H 1 2.865 . . 2 . . . . 55 Lys HE3 . 16563 1 689 . 1 1 55 55 LYS HG2 H 1 1.222 . . 2 . . . . 55 Lys HG2 . 16563 1 690 . 1 1 55 55 LYS HG3 H 1 1.118 . . 2 . . . . 55 Lys HG3 . 16563 1 691 . 1 1 55 55 LYS C C 13 176.184 . . 1 . . . . 55 Lys C . 16563 1 692 . 1 1 55 55 LYS CA C 13 58.854 . . 1 . . . . 55 Lys CA . 16563 1 693 . 1 1 55 55 LYS CB C 13 34.045 . . 1 . . . . 55 Lys CB . 16563 1 694 . 1 1 55 55 LYS CD C 13 28.841 . . 1 . . . . 55 Lys CD . 16563 1 695 . 1 1 55 55 LYS CE C 13 42.470 . . 1 . . . . 55 Lys CE . 16563 1 696 . 1 1 55 55 LYS CG C 13 25.509 . . 1 . . . . 55 Lys CG . 16563 1 697 . 1 1 55 55 LYS N N 15 130.286 . . 1 . . . . 55 Lys N . 16563 1 698 . 1 1 56 56 GLU H H 1 7.530 . . 1 . . . . 56 Glu H . 16563 1 699 . 1 1 56 56 GLU HA H 1 4.601 . . 1 . . . . 56 Glu HA . 16563 1 700 . 1 1 56 56 GLU HB2 H 1 2.021 . . 2 . . . . 56 Glu HB2 . 16563 1 701 . 1 1 56 56 GLU HB3 H 1 2.086 . . 2 . . . . 56 Glu HB3 . 16563 1 702 . 1 1 56 56 GLU HG2 H 1 2.273 . . 2 . . . . 56 Glu HG2 . 16563 1 703 . 1 1 56 56 GLU HG3 H 1 2.107 . . 2 . . . . 56 Glu HG3 . 16563 1 704 . 1 1 56 56 GLU C C 13 173.050 . . 1 . . . . 56 Glu C . 16563 1 705 . 1 1 56 56 GLU CA C 13 54.880 . . 1 . . . . 56 Glu CA . 16563 1 706 . 1 1 56 56 GLU CB C 13 33.860 . . 1 . . . . 56 Glu CB . 16563 1 707 . 1 1 56 56 GLU CG C 13 36.580 . . 1 . . . . 56 Glu CG . 16563 1 708 . 1 1 56 56 GLU N N 15 113.728 . . 1 . . . . 56 Glu N . 16563 1 709 . 1 1 57 57 ASP H H 1 9.178 . . 1 . . . . 57 Asp H . 16563 1 710 . 1 1 57 57 ASP HA H 1 3.896 . . 1 . . . . 57 Asp HA . 16563 1 711 . 1 1 57 57 ASP HB2 H 1 3.657 . . 2 . . . . 57 Asp HB2 . 16563 1 712 . 1 1 57 57 ASP HB3 H 1 2.714 . . 2 . . . . 57 Asp HB3 . 16563 1 713 . 1 1 57 57 ASP C C 13 174.064 . . 1 . . . . 57 Asp C . 16563 1 714 . 1 1 57 57 ASP CA C 13 53.551 . . 1 . . . . 57 Asp CA . 16563 1 715 . 1 1 57 57 ASP CB C 13 43.612 . . 1 . . . . 57 Asp CB . 16563 1 716 . 1 1 57 57 ASP N N 15 121.386 . . 1 . . . . 57 Asp N . 16563 1 717 . 1 1 58 58 ASN H H 1 7.311 . . 1 . . . . 58 Asn H . 16563 1 718 . 1 1 58 58 ASN HA H 1 5.056 . . 1 . . . . 58 Asn HA . 16563 1 719 . 1 1 58 58 ASN HB2 H 1 3.314 . . 2 . . . . 58 Asn HB2 . 16563 1 720 . 1 1 58 58 ASN HB3 H 1 2.668 . . 2 . . . . 58 Asn HB3 . 16563 1 721 . 1 1 58 58 ASN HD21 H 1 7.585 . . 2 . . . . 58 Asn HD21 . 16563 1 722 . 1 1 58 58 ASN HD22 H 1 7.258 . . 2 . . . . 58 Asn HD22 . 16563 1 723 . 1 1 58 58 ASN C C 13 177.192 . . 1 . . . . 58 Asn C . 16563 1 724 . 1 1 58 58 ASN CA C 13 50.539 . . 1 . . . . 58 Asn CA . 16563 1 725 . 1 1 58 58 ASN CB C 13 36.414 . . 1 . . . . 58 Asn CB . 16563 1 726 . 1 1 58 58 ASN N N 15 113.344 . . 1 . . . . 58 Asn N . 16563 1 727 . 1 1 58 58 ASN ND2 N 15 108.077 . . 1 . . . . 58 Asn ND2 . 16563 1 728 . 1 1 59 59 SER H H 1 9.590 . . 1 . . . . 59 Ser H . 16563 1 729 . 1 1 59 59 SER HA H 1 4.305 . . 1 . . . . 59 Ser HA . 16563 1 730 . 1 1 59 59 SER HB2 H 1 3.564 . . 2 . . . . 59 Ser HB2 . 16563 1 731 . 1 1 59 59 SER HB3 H 1 2.851 . . 2 . . . . 59 Ser HB3 . 16563 1 732 . 1 1 59 59 SER CA C 13 58.255 . . 1 . . . . 59 Ser CA . 16563 1 733 . 1 1 59 59 SER CB C 13 61.843 . . 1 . . . . 59 Ser CB . 16563 1 734 . 1 1 59 59 SER N N 15 121.122 . . 1 . . . . 59 Ser N . 16563 1 735 . 1 1 60 60 PRO HA H 1 4.425 . . 1 . . . . 60 Pro HA . 16563 1 736 . 1 1 60 60 PRO HB2 H 1 2.418 . . 2 . . . . 60 Pro HB2 . 16563 1 737 . 1 1 60 60 PRO HB3 H 1 2.044 . . 2 . . . . 60 Pro HB3 . 16563 1 738 . 1 1 60 60 PRO HD2 H 1 3.497 . . 2 . . . . 60 Pro HD2 . 16563 1 739 . 1 1 60 60 PRO HD3 H 1 4.003 . . 2 . . . . 60 Pro HD3 . 16563 1 740 . 1 1 60 60 PRO HG2 H 1 2.206 . . 2 . . . . 60 Pro HG2 . 16563 1 741 . 1 1 60 60 PRO HG3 H 1 2.078 . . 2 . . . . 60 Pro HG3 . 16563 1 742 . 1 1 60 60 PRO C C 13 177.020 . . 1 . . . . 60 Pro C . 16563 1 743 . 1 1 60 60 PRO CA C 13 64.418 . . 1 . . . . 60 Pro CA . 16563 1 744 . 1 1 60 60 PRO CB C 13 31.727 . . 1 . . . . 60 Pro CB . 16563 1 745 . 1 1 60 60 PRO CD C 13 50.337 . . 1 . . . . 60 Pro CD . 16563 1 746 . 1 1 60 60 PRO CG C 13 27.650 . . 1 . . . . 60 Pro CG . 16563 1 747 . 1 1 61 61 ASP H H 1 7.983 . . 1 . . . . 61 Asp H . 16563 1 748 . 1 1 61 61 ASP HA H 1 4.606 . . 1 . . . . 61 Asp HA . 16563 1 749 . 1 1 61 61 ASP HB2 H 1 2.831 . . 2 . . . . 61 Asp HB2 . 16563 1 750 . 1 1 61 61 ASP HB3 H 1 2.679 . . 2 . . . . 61 Asp HB3 . 16563 1 751 . 1 1 61 61 ASP C C 13 176.428 . . 1 . . . . 61 Asp C . 16563 1 752 . 1 1 61 61 ASP CA C 13 53.802 . . 1 . . . . 61 Asp CA . 16563 1 753 . 1 1 61 61 ASP CB C 13 41.428 . . 1 . . . . 61 Asp CB . 16563 1 754 . 1 1 61 61 ASP N N 15 112.568 . . 1 . . . . 61 Asp N . 16563 1 755 . 1 1 62 62 GLN H H 1 7.839 . . 1 . . . . 62 Gln H . 16563 1 756 . 1 1 62 62 GLN HA H 1 3.707 . . 1 . . . . 62 Gln HA . 16563 1 757 . 1 1 62 62 GLN HB2 H 1 2.361 . . 2 . . . . 62 Gln HB2 . 16563 1 758 . 1 1 62 62 GLN HB3 H 1 2.216 . . 2 . . . . 62 Gln HB3 . 16563 1 759 . 1 1 62 62 GLN HE21 H 1 7.795 . . 2 . . . . 62 Gln HE21 . 16563 1 760 . 1 1 62 62 GLN HE22 H 1 6.841 . . 2 . . . . 62 Gln HE22 . 16563 1 761 . 1 1 62 62 GLN HG2 H 1 2.196 . . 2 . . . . 62 Gln HG2 . 16563 1 762 . 1 1 62 62 GLN HG3 H 1 1.951 . . 2 . . . . 62 Gln HG3 . 16563 1 763 . 1 1 62 62 GLN C C 13 174.751 . . 1 . . . . 62 Gln C . 16563 1 764 . 1 1 62 62 GLN CA C 13 56.514 . . 1 . . . . 62 Gln CA . 16563 1 765 . 1 1 62 62 GLN CB C 13 26.576 . . 1 . . . . 62 Gln CB . 16563 1 766 . 1 1 62 62 GLN CG C 13 33.811 . . 1 . . . . 62 Gln CG . 16563 1 767 . 1 1 62 62 GLN N N 15 113.730 . . 1 . . . . 62 Gln N . 16563 1 768 . 1 1 62 62 GLN NE2 N 15 119.060 . . 1 . . . . 62 Gln NE2 . 16563 1 769 . 1 1 63 63 VAL H H 1 7.305 . . 1 . . . . 63 Val H . 16563 1 770 . 1 1 63 63 VAL HA H 1 3.397 . . 1 . . . . 63 Val HA . 16563 1 771 . 1 1 63 63 VAL HB H 1 2.031 . . 1 . . . . 63 Val HB . 16563 1 772 . 1 1 63 63 VAL HG11 H 1 0.946 . . 2 . . . . 63 Val HG1 . 16563 1 773 . 1 1 63 63 VAL HG12 H 1 0.946 . . 2 . . . . 63 Val HG1 . 16563 1 774 . 1 1 63 63 VAL HG13 H 1 0.946 . . 2 . . . . 63 Val HG1 . 16563 1 775 . 1 1 63 63 VAL HG21 H 1 0.928 . . 2 . . . . 63 Val HG2 . 16563 1 776 . 1 1 63 63 VAL HG22 H 1 0.928 . . 2 . . . . 63 Val HG2 . 16563 1 777 . 1 1 63 63 VAL HG23 H 1 0.928 . . 2 . . . . 63 Val HG2 . 16563 1 778 . 1 1 63 63 VAL C C 13 178.501 . . 1 . . . . 63 Val C . 16563 1 779 . 1 1 63 63 VAL CA C 13 67.203 . . 1 . . . . 63 Val CA . 16563 1 780 . 1 1 63 63 VAL CB C 13 31.960 . . 1 . . . . 63 Val CB . 16563 1 781 . 1 1 63 63 VAL CG1 C 13 21.066 . . 2 . . . . 63 Val CG1 . 16563 1 782 . 1 1 63 63 VAL CG2 C 13 23.323 . . 2 . . . . 63 Val CG2 . 16563 1 783 . 1 1 63 63 VAL N N 15 121.045 . . 1 . . . . 63 Val N . 16563 1 784 . 1 1 64 64 GLY H H 1 8.182 . . 1 . . . . 64 Gly H . 16563 1 785 . 1 1 64 64 GLY HA2 H 1 3.786 . . 2 . . . . 64 Gly HA2 . 16563 1 786 . 1 1 64 64 GLY HA3 H 1 3.427 . . 2 . . . . 64 Gly HA3 . 16563 1 787 . 1 1 64 64 GLY C C 13 177.476 . . 1 . . . . 64 Gly C . 16563 1 788 . 1 1 64 64 GLY CA C 13 48.442 . . 1 . . . . 64 Gly CA . 16563 1 789 . 1 1 64 64 GLY N N 15 110.730 . . 1 . . . . 64 Gly N . 16563 1 790 . 1 1 65 65 VAL H H 1 8.108 . . 1 . . . . 65 Val H . 16563 1 791 . 1 1 65 65 VAL HA H 1 3.485 . . 1 . . . . 65 Val HA . 16563 1 792 . 1 1 65 65 VAL HB H 1 1.687 . . 1 . . . . 65 Val HB . 16563 1 793 . 1 1 65 65 VAL HG11 H 1 0.796 . . 2 . . . . 65 Val HG1 . 16563 1 794 . 1 1 65 65 VAL HG12 H 1 0.796 . . 2 . . . . 65 Val HG1 . 16563 1 795 . 1 1 65 65 VAL HG13 H 1 0.796 . . 2 . . . . 65 Val HG1 . 16563 1 796 . 1 1 65 65 VAL HG21 H 1 0.676 . . 2 . . . . 65 Val HG2 . 16563 1 797 . 1 1 65 65 VAL HG22 H 1 0.676 . . 2 . . . . 65 Val HG2 . 16563 1 798 . 1 1 65 65 VAL HG23 H 1 0.676 . . 2 . . . . 65 Val HG2 . 16563 1 799 . 1 1 65 65 VAL C C 13 180.552 . . 1 . . . . 65 Val C . 16563 1 800 . 1 1 65 65 VAL CA C 13 66.186 . . 1 . . . . 65 Val CA . 16563 1 801 . 1 1 65 65 VAL CB C 13 32.397 . . 1 . . . . 65 Val CB . 16563 1 802 . 1 1 65 65 VAL CG1 C 13 20.929 . . 2 . . . . 65 Val CG1 . 16563 1 803 . 1 1 65 65 VAL CG2 C 13 22.810 . . 2 . . . . 65 Val CG2 . 16563 1 804 . 1 1 65 65 VAL N N 15 124.697 . . 1 . . . . 65 Val N . 16563 1 805 . 1 1 66 66 LYS H H 1 8.140 . . 1 . . . . 66 Lys H . 16563 1 806 . 1 1 66 66 LYS HA H 1 3.994 . . 1 . . . . 66 Lys HA . 16563 1 807 . 1 1 66 66 LYS HB2 H 1 1.925 . . 2 . . . . 66 Lys HB2 . 16563 1 808 . 1 1 66 66 LYS HB3 H 1 1.925 . . 2 . . . . 66 Lys HB3 . 16563 1 809 . 1 1 66 66 LYS HD2 H 1 1.613 . . 2 . . . . 66 Lys HD2 . 16563 1 810 . 1 1 66 66 LYS HD3 H 1 1.682 . . 2 . . . . 66 Lys HD3 . 16563 1 811 . 1 1 66 66 LYS HE2 H 1 2.955 . . 2 . . . . 66 Lys HE2 . 16563 1 812 . 1 1 66 66 LYS HE3 H 1 2.937 . . 2 . . . . 66 Lys HE3 . 16563 1 813 . 1 1 66 66 LYS HG2 H 1 1.706 . . 2 . . . . 66 Lys HG2 . 16563 1 814 . 1 1 66 66 LYS HG3 H 1 1.488 . . 2 . . . . 66 Lys HG3 . 16563 1 815 . 1 1 66 66 LYS C C 13 175.672 . . 1 . . . . 66 Lys C . 16563 1 816 . 1 1 66 66 LYS CA C 13 59.001 . . 1 . . . . 66 Lys CA . 16563 1 817 . 1 1 66 66 LYS CB C 13 32.242 . . 1 . . . . 66 Lys CB . 16563 1 818 . 1 1 66 66 LYS CD C 13 29.378 . . 1 . . . . 66 Lys CD . 16563 1 819 . 1 1 66 66 LYS CE C 13 42.312 . . 1 . . . . 66 Lys CE . 16563 1 820 . 1 1 66 66 LYS CG C 13 26.394 . . 1 . . . . 66 Lys CG . 16563 1 821 . 1 1 66 66 LYS N N 15 120.070 . . 1 . . . . 66 Lys N . 16563 1 822 . 1 1 67 67 MET H H 1 7.716 . . 1 . . . . 67 Met H . 16563 1 823 . 1 1 67 67 MET HA H 1 4.146 . . 1 . . . . 67 Met HA . 16563 1 824 . 1 1 67 67 MET HB2 H 1 2.423 . . 2 . . . . 67 Met HB2 . 16563 1 825 . 1 1 67 67 MET HB3 H 1 2.050 . . 2 . . . . 67 Met HB3 . 16563 1 826 . 1 1 67 67 MET HG2 H 1 2.676 . . 2 . . . . 67 Met HG2 . 16563 1 827 . 1 1 67 67 MET HG3 H 1 3.448 . . 2 . . . . 67 Met HG3 . 16563 1 828 . 1 1 67 67 MET C C 13 177.428 . . 1 . . . . 67 Met C . 16563 1 829 . 1 1 67 67 MET CA C 13 58.955 . . 1 . . . . 67 Met CA . 16563 1 830 . 1 1 67 67 MET CB C 13 32.439 . . 1 . . . . 67 Met CB . 16563 1 831 . 1 1 67 67 MET CG C 13 34.072 . . 1 . . . . 67 Met CG . 16563 1 832 . 1 1 67 67 MET N N 15 118.739 . . 1 . . . . 67 Met N . 16563 1 833 . 1 1 68 68 GLY H H 1 7.169 . . 1 . . . . 68 Gly H . 16563 1 834 . 1 1 68 68 GLY HA2 H 1 3.944 . . 2 . . . . 68 Gly HA2 . 16563 1 835 . 1 1 68 68 GLY HA3 H 1 3.633 . . 2 . . . . 68 Gly HA3 . 16563 1 836 . 1 1 68 68 GLY C C 13 172.979 . . 1 . . . . 68 Gly C . 16563 1 837 . 1 1 68 68 GLY CA C 13 45.301 . . 1 . . . . 68 Gly CA . 16563 1 838 . 1 1 68 68 GLY N N 15 103.435 . . 1 . . . . 68 Gly N . 16563 1 839 . 1 1 69 69 TRP H H 1 7.743 . . 1 . . . . 69 Trp H . 16563 1 840 . 1 1 69 69 TRP HA H 1 4.731 . . 1 . . . . 69 Trp HA . 16563 1 841 . 1 1 69 69 TRP HB2 H 1 3.111 . . 2 . . . . 69 Trp HB2 . 16563 1 842 . 1 1 69 69 TRP HB3 H 1 2.963 . . 2 . . . . 69 Trp HB3 . 16563 1 843 . 1 1 69 69 TRP HD1 H 1 7.339 . . 1 . . . . 69 Trp HD1 . 16563 1 844 . 1 1 69 69 TRP HE1 H 1 10.118 . . 1 . . . . 69 Trp HE1 . 16563 1 845 . 1 1 69 69 TRP HE3 H 1 7.209 . . 1 . . . . 69 Trp HE3 . 16563 1 846 . 1 1 69 69 TRP HH2 H 1 6.773 . . 1 . . . . 69 Trp HH2 . 16563 1 847 . 1 1 69 69 TRP HZ2 H 1 7.285 . . 1 . . . . 69 Trp HZ2 . 16563 1 848 . 1 1 69 69 TRP HZ3 H 1 6.820 . . 1 . . . . 69 Trp HZ3 . 16563 1 849 . 1 1 69 69 TRP C C 13 178.114 . . 1 . . . . 69 Trp C . 16563 1 850 . 1 1 69 69 TRP CA C 13 56.905 . . 1 . . . . 69 Trp CA . 16563 1 851 . 1 1 69 69 TRP CB C 13 31.845 . . 1 . . . . 69 Trp CB . 16563 1 852 . 1 1 69 69 TRP CD1 C 13 128.741 . . 1 . . . . 69 Trp CD1 . 16563 1 853 . 1 1 69 69 TRP CE3 C 13 120.378 . . 1 . . . . 69 Trp CE3 . 16563 1 854 . 1 1 69 69 TRP CH2 C 13 124.483 . . 1 . . . . 69 Trp CH2 . 16563 1 855 . 1 1 69 69 TRP CZ2 C 13 114.338 . . 1 . . . . 69 Trp CZ2 . 16563 1 856 . 1 1 69 69 TRP CZ3 C 13 121.872 . . 1 . . . . 69 Trp CZ3 . 16563 1 857 . 1 1 69 69 TRP N N 15 117.310 . . 1 . . . . 69 Trp N . 16563 1 858 . 1 1 69 69 TRP NE1 N 15 129.804 . . 1 . . . . 69 Trp NE1 . 16563 1 859 . 1 1 70 70 LYS H H 1 9.682 . . 1 . . . . 70 Lys H . 16563 1 860 . 1 1 70 70 LYS HA H 1 4.917 . . 1 . . . . 70 Lys HA . 16563 1 861 . 1 1 70 70 LYS HB2 H 1 2.068 . . 2 . . . . 70 Lys HB2 . 16563 1 862 . 1 1 70 70 LYS HB3 H 1 1.546 . . 2 . . . . 70 Lys HB3 . 16563 1 863 . 1 1 70 70 LYS HD2 H 1 2.074 . . 2 . . . . 70 Lys HD2 . 16563 1 864 . 1 1 70 70 LYS HD3 H 1 1.457 . . 2 . . . . 70 Lys HD3 . 16563 1 865 . 1 1 70 70 LYS HE2 H 1 3.124 . . 2 . . . . 70 Lys HE2 . 16563 1 866 . 1 1 70 70 LYS HE3 H 1 2.813 . . 2 . . . . 70 Lys HE3 . 16563 1 867 . 1 1 70 70 LYS HG2 H 1 1.377 . . 2 . . . . 70 Lys HG2 . 16563 1 868 . 1 1 70 70 LYS HG3 H 1 1.377 . . 2 . . . . 70 Lys HG3 . 16563 1 869 . 1 1 70 70 LYS C C 13 175.899 . . 1 . . . . 70 Lys C . 16563 1 870 . 1 1 70 70 LYS CA C 13 53.507 . . 1 . . . . 70 Lys CA . 16563 1 871 . 1 1 70 70 LYS CB C 13 34.817 . . 1 . . . . 70 Lys CB . 16563 1 872 . 1 1 70 70 LYS CD C 13 27.637 . . 1 . . . . 70 Lys CD . 16563 1 873 . 1 1 70 70 LYS CE C 13 42.548 . . 1 . . . . 70 Lys CE . 16563 1 874 . 1 1 70 70 LYS CG C 13 23.991 . . 1 . . . . 70 Lys CG . 16563 1 875 . 1 1 70 70 LYS N N 15 120.763 . . 1 . . . . 70 Lys N . 16563 1 876 . 1 1 71 71 SER H H 1 8.382 . . 1 . . . . 71 Ser H . 16563 1 877 . 1 1 71 71 SER HA H 1 4.597 . . 1 . . . . 71 Ser HA . 16563 1 878 . 1 1 71 71 SER HB2 H 1 4.088 . . 2 . . . . 71 Ser HB2 . 16563 1 879 . 1 1 71 71 SER HB3 H 1 3.822 . . 2 . . . . 71 Ser HB3 . 16563 1 880 . 1 1 71 71 SER C C 13 172.421 . . 1 . . . . 71 Ser C . 16563 1 881 . 1 1 71 71 SER CA C 13 59.886 . . 1 . . . . 71 Ser CA . 16563 1 882 . 1 1 71 71 SER CB C 13 66.047 . . 1 . . . . 71 Ser CB . 16563 1 883 . 1 1 71 71 SER N N 15 109.615 . . 1 . . . . 71 Ser N . 16563 1 884 . 1 1 72 72 LYS H H 1 8.772 . . 1 . . . . 72 Lys H . 16563 1 885 . 1 1 72 72 LYS HA H 1 4.710 . . 1 . . . . 72 Lys HA . 16563 1 886 . 1 1 72 72 LYS HB2 H 1 1.784 . . 2 . . . . 72 Lys HB2 . 16563 1 887 . 1 1 72 72 LYS HB3 H 1 1.784 . . 2 . . . . 72 Lys HB3 . 16563 1 888 . 1 1 72 72 LYS HD2 H 1 1.711 . . 2 . . . . 72 Lys HD2 . 16563 1 889 . 1 1 72 72 LYS HD3 H 1 1.711 . . 2 . . . . 72 Lys HD3 . 16563 1 890 . 1 1 72 72 LYS HE2 H 1 3.048 . . 2 . . . . 72 Lys HE2 . 16563 1 891 . 1 1 72 72 LYS HE3 H 1 3.048 . . 2 . . . . 72 Lys HE3 . 16563 1 892 . 1 1 72 72 LYS HG2 H 1 1.493 . . 2 . . . . 72 Lys HG2 . 16563 1 893 . 1 1 72 72 LYS HG3 H 1 1.493 . . 2 . . . . 72 Lys HG3 . 16563 1 894 . 1 1 72 72 LYS C C 13 175.605 . . 1 . . . . 72 Lys C . 16563 1 895 . 1 1 72 72 LYS CA C 13 54.446 . . 1 . . . . 72 Lys CA . 16563 1 896 . 1 1 72 72 LYS CB C 13 34.865 . . 1 . . . . 72 Lys CB . 16563 1 897 . 1 1 72 72 LYS CD C 13 29.046 . . 1 . . . . 72 Lys CD . 16563 1 898 . 1 1 72 72 LYS CE C 13 42.353 . . 1 . . . . 72 Lys CE . 16563 1 899 . 1 1 72 72 LYS CG C 13 24.453 . . 1 . . . . 72 Lys CG . 16563 1 900 . 1 1 72 72 LYS N N 15 124.576 . . 1 . . . . 72 Lys N . 16563 1 901 . 1 1 73 73 ALA H H 1 8.847 . . 1 . . . . 73 Ala H . 16563 1 902 . 1 1 73 73 ALA HA H 1 3.685 . . 1 . . . . 73 Ala HA . 16563 1 903 . 1 1 73 73 ALA HB1 H 1 1.371 . . 1 . . . . 73 Ala HB . 16563 1 904 . 1 1 73 73 ALA HB2 H 1 1.371 . . 1 . . . . 73 Ala HB . 16563 1 905 . 1 1 73 73 ALA HB3 H 1 1.371 . . 1 . . . . 73 Ala HB . 16563 1 906 . 1 1 73 73 ALA C C 13 178.583 . . 1 . . . . 73 Ala C . 16563 1 907 . 1 1 73 73 ALA CA C 13 53.946 . . 1 . . . . 73 Ala CA . 16563 1 908 . 1 1 73 73 ALA CB C 13 17.746 . . 1 . . . . 73 Ala CB . 16563 1 909 . 1 1 73 73 ALA N N 15 123.049 . . 1 . . . . 73 Ala N . 16563 1 910 . 1 1 74 74 GLY H H 1 8.773 . . 1 . . . . 74 Gly H . 16563 1 911 . 1 1 74 74 GLY HA2 H 1 4.520 . . 2 . . . . 74 Gly HA2 . 16563 1 912 . 1 1 74 74 GLY HA3 H 1 3.809 . . 2 . . . . 74 Gly HA3 . 16563 1 913 . 1 1 74 74 GLY C C 13 174.963 . . 1 . . . . 74 Gly C . 16563 1 914 . 1 1 74 74 GLY CA C 13 44.922 . . 1 . . . . 74 Gly CA . 16563 1 915 . 1 1 74 74 GLY N N 15 113.307 . . 1 . . . . 74 Gly N . 16563 1 916 . 1 1 75 75 ASP H H 1 8.560 . . 1 . . . . 75 Asp H . 16563 1 917 . 1 1 75 75 ASP HA H 1 4.720 . . 1 . . . . 75 Asp HA . 16563 1 918 . 1 1 75 75 ASP HB2 H 1 3.208 . . 2 . . . . 75 Asp HB2 . 16563 1 919 . 1 1 75 75 ASP HB3 H 1 2.479 . . 2 . . . . 75 Asp HB3 . 16563 1 920 . 1 1 75 75 ASP C C 13 175.718 . . 1 . . . . 75 Asp C . 16563 1 921 . 1 1 75 75 ASP CA C 13 55.306 . . 1 . . . . 75 Asp CA . 16563 1 922 . 1 1 75 75 ASP CB C 13 43.117 . . 1 . . . . 75 Asp CB . 16563 1 923 . 1 1 75 75 ASP N N 15 122.163 . . 1 . . . . 75 Asp N . 16563 1 924 . 1 1 76 76 THR H H 1 7.956 . . 1 . . . . 76 Thr H . 16563 1 925 . 1 1 76 76 THR HA H 1 5.280 . . 1 . . . . 76 Thr HA . 16563 1 926 . 1 1 76 76 THR HB H 1 3.993 . . 1 . . . . 76 Thr HB . 16563 1 927 . 1 1 76 76 THR HG21 H 1 1.253 . . 1 . . . . 76 Thr HG2 . 16563 1 928 . 1 1 76 76 THR HG22 H 1 1.253 . . 1 . . . . 76 Thr HG2 . 16563 1 929 . 1 1 76 76 THR HG23 H 1 1.253 . . 1 . . . . 76 Thr HG2 . 16563 1 930 . 1 1 76 76 THR C C 13 173.541 . . 1 . . . . 76 Thr C . 16563 1 931 . 1 1 76 76 THR CA C 13 59.046 . . 1 . . . . 76 Thr CA . 16563 1 932 . 1 1 76 76 THR CB C 13 73.625 . . 1 . . . . 76 Thr CB . 16563 1 933 . 1 1 76 76 THR CG2 C 13 22.725 . . 1 . . . . 76 Thr CG2 . 16563 1 934 . 1 1 76 76 THR N N 15 108.385 . . 1 . . . . 76 Thr N . 16563 1 935 . 1 1 77 77 ILE H H 1 8.483 . . 1 . . . . 77 Ile H . 16563 1 936 . 1 1 77 77 ILE HA H 1 4.380 . . 1 . . . . 77 Ile HA . 16563 1 937 . 1 1 77 77 ILE HB H 1 1.137 . . 1 . . . . 77 Ile HB . 16563 1 938 . 1 1 77 77 ILE HD11 H 1 0.773 . . 1 . . . . 77 Ile HD1 . 16563 1 939 . 1 1 77 77 ILE HD12 H 1 0.773 . . 1 . . . . 77 Ile HD1 . 16563 1 940 . 1 1 77 77 ILE HD13 H 1 0.773 . . 1 . . . . 77 Ile HD1 . 16563 1 941 . 1 1 77 77 ILE HG12 H 1 1.350 . . 2 . . . . 77 Ile HG12 . 16563 1 942 . 1 1 77 77 ILE HG13 H 1 0.897 . . 2 . . . . 77 Ile HG13 . 16563 1 943 . 1 1 77 77 ILE HG21 H 1 0.881 . . 1 . . . . 77 Ile HG2 . 16563 1 944 . 1 1 77 77 ILE HG22 H 1 0.881 . . 1 . . . . 77 Ile HG2 . 16563 1 945 . 1 1 77 77 ILE HG23 H 1 0.881 . . 1 . . . . 77 Ile HG2 . 16563 1 946 . 1 1 77 77 ILE C C 13 174.475 . . 1 . . . . 77 Ile C . 16563 1 947 . 1 1 77 77 ILE CA C 13 61.856 . . 1 . . . . 77 Ile CA . 16563 1 948 . 1 1 77 77 ILE CB C 13 42.237 . . 1 . . . . 77 Ile CB . 16563 1 949 . 1 1 77 77 ILE CD1 C 13 14.664 . . 1 . . . . 77 Ile CD1 . 16563 1 950 . 1 1 77 77 ILE CG1 C 13 28.723 . . 1 . . . . 77 Ile CG1 . 16563 1 951 . 1 1 77 77 ILE CG2 C 13 18.986 . . 1 . . . . 77 Ile CG2 . 16563 1 952 . 1 1 77 77 ILE N N 15 116.638 . . 1 . . . . 77 Ile N . 16563 1 953 . 1 1 78 78 VAL H H 1 7.028 . . 1 . . . . 78 Val H . 16563 1 954 . 1 1 78 78 VAL HA H 1 4.574 . . 1 . . . . 78 Val HA . 16563 1 955 . 1 1 78 78 VAL HB H 1 1.939 . . 1 . . . . 78 Val HB . 16563 1 956 . 1 1 78 78 VAL HG11 H 1 0.949 . . 2 . . . . 78 Val HG1 . 16563 1 957 . 1 1 78 78 VAL HG12 H 1 0.949 . . 2 . . . . 78 Val HG1 . 16563 1 958 . 1 1 78 78 VAL HG13 H 1 0.949 . . 2 . . . . 78 Val HG1 . 16563 1 959 . 1 1 78 78 VAL HG21 H 1 0.949 . . 2 . . . . 78 Val HG2 . 16563 1 960 . 1 1 78 78 VAL HG22 H 1 0.949 . . 2 . . . . 78 Val HG2 . 16563 1 961 . 1 1 78 78 VAL HG23 H 1 0.949 . . 2 . . . . 78 Val HG2 . 16563 1 962 . 1 1 78 78 VAL C C 13 173.821 . . 1 . . . . 78 Val C . 16563 1 963 . 1 1 78 78 VAL CA C 13 60.655 . . 1 . . . . 78 Val CA . 16563 1 964 . 1 1 78 78 VAL CB C 13 35.740 . . 1 . . . . 78 Val CB . 16563 1 965 . 1 1 78 78 VAL CG1 C 13 21.183 . . 2 . . . . 78 Val CG1 . 16563 1 966 . 1 1 78 78 VAL CG2 C 13 21.183 . . 2 . . . . 78 Val CG2 . 16563 1 967 . 1 1 78 78 VAL N N 15 123.767 . . 1 . . . . 78 Val N . 16563 1 968 . 1 1 79 79 CYS H H 1 8.414 . . 1 . . . . 79 Cys H . 16563 1 969 . 1 1 79 79 CYS HA H 1 4.925 . . 1 . . . . 79 Cys HA . 16563 1 970 . 1 1 79 79 CYS HB2 H 1 2.447 . . 2 . . . . 79 Cys HB2 . 16563 1 971 . 1 1 79 79 CYS HB3 H 1 2.447 . . 2 . . . . 79 Cys HB3 . 16563 1 972 . 1 1 79 79 CYS C C 13 174.672 . . 1 . . . . 79 Cys C . 16563 1 973 . 1 1 79 79 CYS CA C 13 55.966 . . 1 . . . . 79 Cys CA . 16563 1 974 . 1 1 79 79 CYS CB C 13 26.485 . . 1 . . . . 79 Cys CB . 16563 1 975 . 1 1 79 79 CYS N N 15 124.524 . . 1 . . . . 79 Cys N . 16563 1 976 . 1 1 80 80 LEU H H 1 9.610 . . 1 . . . . 80 Leu H . 16563 1 977 . 1 1 80 80 LEU HA H 1 4.328 . . 1 . . . . 80 Leu HA . 16563 1 978 . 1 1 80 80 LEU HB2 H 1 1.800 . . 2 . . . . 80 Leu HB2 . 16563 1 979 . 1 1 80 80 LEU HB3 H 1 1.702 . . 2 . . . . 80 Leu HB3 . 16563 1 980 . 1 1 80 80 LEU HD11 H 1 0.972 . . 2 . . . . 80 Leu HD1 . 16563 1 981 . 1 1 80 80 LEU HD12 H 1 0.972 . . 2 . . . . 80 Leu HD1 . 16563 1 982 . 1 1 80 80 LEU HD13 H 1 0.972 . . 2 . . . . 80 Leu HD1 . 16563 1 983 . 1 1 80 80 LEU HD21 H 1 0.912 . . 2 . . . . 80 Leu HD2 . 16563 1 984 . 1 1 80 80 LEU HD22 H 1 0.912 . . 2 . . . . 80 Leu HD2 . 16563 1 985 . 1 1 80 80 LEU HD23 H 1 0.912 . . 2 . . . . 80 Leu HD2 . 16563 1 986 . 1 1 80 80 LEU HG H 1 1.666 . . 1 . . . . 80 Leu HG . 16563 1 987 . 1 1 80 80 LEU CA C 13 59.308 . . 1 . . . . 80 Leu CA . 16563 1 988 . 1 1 80 80 LEU CB C 13 39.259 . . 1 . . . . 80 Leu CB . 16563 1 989 . 1 1 80 80 LEU CD1 C 13 24.648 . . 2 . . . . 80 Leu CD1 . 16563 1 990 . 1 1 80 80 LEU CD2 C 13 23.876 . . 2 . . . . 80 Leu CD2 . 16563 1 991 . 1 1 80 80 LEU CG C 13 27.048 . . 1 . . . . 80 Leu CG . 16563 1 992 . 1 1 80 80 LEU N N 15 129.147 . . 1 . . . . 80 Leu N . 16563 1 993 . 1 1 81 81 PRO HA H 1 4.465 . . 1 . . . . 81 Pro HA . 16563 1 994 . 1 1 81 81 PRO HB2 H 1 2.518 . . 2 . . . . 81 Pro HB2 . 16563 1 995 . 1 1 81 81 PRO HB3 H 1 1.532 . . 2 . . . . 81 Pro HB3 . 16563 1 996 . 1 1 81 81 PRO HD2 H 1 3.957 . . 2 . . . . 81 Pro HD2 . 16563 1 997 . 1 1 81 81 PRO HD3 H 1 3.957 . . 2 . . . . 81 Pro HD3 . 16563 1 998 . 1 1 81 81 PRO HG2 H 1 2.102 . . 2 . . . . 81 Pro HG2 . 16563 1 999 . 1 1 81 81 PRO HG3 H 1 2.048 . . 2 . . . . 81 Pro HG3 . 16563 1 1000 . 1 1 81 81 PRO C C 13 176.354 . . 1 . . . . 81 Pro C . 16563 1 1001 . 1 1 81 81 PRO CA C 13 66.463 . . 1 . . . . 81 Pro CA . 16563 1 1002 . 1 1 81 81 PRO CB C 13 30.672 . . 1 . . . . 81 Pro CB . 16563 1 1003 . 1 1 81 81 PRO CD C 13 51.601 . . 1 . . . . 81 Pro CD . 16563 1 1004 . 1 1 81 81 PRO CG C 13 28.428 . . 1 . . . . 81 Pro CG . 16563 1 1005 . 1 1 82 82 HIS H H 1 6.659 . . 1 . . . . 82 His H . 16563 1 1006 . 1 1 82 82 HIS HA H 1 5.049 . . 1 . . . . 82 His HA . 16563 1 1007 . 1 1 82 82 HIS HB2 H 1 3.339 . . 2 . . . . 82 His HB2 . 16563 1 1008 . 1 1 82 82 HIS HB3 H 1 2.701 . . 2 . . . . 82 His HB3 . 16563 1 1009 . 1 1 82 82 HIS HD2 H 1 6.356 . . 1 . . . . 82 His HD2 . 16563 1 1010 . 1 1 82 82 HIS HE1 H 1 8.099 . . 1 . . . . 82 His HE1 . 16563 1 1011 . 1 1 82 82 HIS C C 13 173.581 . . 1 . . . . 82 His C . 16563 1 1012 . 1 1 82 82 HIS CA C 13 52.462 . . 1 . . . . 82 His CA . 16563 1 1013 . 1 1 82 82 HIS CB C 13 29.997 . . 1 . . . . 82 His CB . 16563 1 1014 . 1 1 82 82 HIS CD2 C 13 124.831 . . 1 . . . . 82 His CD2 . 16563 1 1015 . 1 1 82 82 HIS CE1 C 13 139.543 . . 1 . . . . 82 His CE1 . 16563 1 1016 . 1 1 82 82 HIS N N 15 111.473 . . 1 . . . . 82 His N . 16563 1 1017 . 1 1 83 83 LYS H H 1 8.435 . . 1 . . . . 83 Lys H . 16563 1 1018 . 1 1 83 83 LYS HA H 1 3.982 . . 1 . . . . 83 Lys HA . 16563 1 1019 . 1 1 83 83 LYS HB2 H 1 2.301 . . 2 . . . . 83 Lys HB2 . 16563 1 1020 . 1 1 83 83 LYS HB3 H 1 1.915 . . 2 . . . . 83 Lys HB3 . 16563 1 1021 . 1 1 83 83 LYS HD2 H 1 1.808 . . 2 . . . . 83 Lys HD2 . 16563 1 1022 . 1 1 83 83 LYS HD3 H 1 1.730 . . 2 . . . . 83 Lys HD3 . 16563 1 1023 . 1 1 83 83 LYS HE2 H 1 3.053 . . 2 . . . . 83 Lys HE2 . 16563 1 1024 . 1 1 83 83 LYS HE3 H 1 3.054 . . 2 . . . . 83 Lys HE3 . 16563 1 1025 . 1 1 83 83 LYS HG2 H 1 1.495 . . 2 . . . . 83 Lys HG2 . 16563 1 1026 . 1 1 83 83 LYS HG3 H 1 1.440 . . 2 . . . . 83 Lys HG3 . 16563 1 1027 . 1 1 83 83 LYS C C 13 177.884 . . 1 . . . . 83 Lys C . 16563 1 1028 . 1 1 83 83 LYS CA C 13 56.950 . . 1 . . . . 83 Lys CA . 16563 1 1029 . 1 1 83 83 LYS CB C 13 29.403 . . 1 . . . . 83 Lys CB . 16563 1 1030 . 1 1 83 83 LYS CD C 13 29.124 . . 1 . . . . 83 Lys CD . 16563 1 1031 . 1 1 83 83 LYS CE C 13 42.684 . . 1 . . . . 83 Lys CE . 16563 1 1032 . 1 1 83 83 LYS CG C 13 25.117 . . 1 . . . . 83 Lys CG . 16563 1 1033 . 1 1 83 83 LYS N N 15 116.990 . . 1 . . . . 83 Lys N . 16563 1 1034 . 1 1 84 84 VAL H H 1 7.720 . . 1 . . . . 84 Val H . 16563 1 1035 . 1 1 84 84 VAL HA H 1 4.952 . . 1 . . . . 84 Val HA . 16563 1 1036 . 1 1 84 84 VAL HB H 1 1.536 . . 1 . . . . 84 Val HB . 16563 1 1037 . 1 1 84 84 VAL HG11 H 1 0.703 . . 2 . . . . 84 Val HG1 . 16563 1 1038 . 1 1 84 84 VAL HG12 H 1 0.703 . . 2 . . . . 84 Val HG1 . 16563 1 1039 . 1 1 84 84 VAL HG13 H 1 0.703 . . 2 . . . . 84 Val HG1 . 16563 1 1040 . 1 1 84 84 VAL HG21 H 1 0.964 . . 2 . . . . 84 Val HG2 . 16563 1 1041 . 1 1 84 84 VAL HG22 H 1 0.964 . . 2 . . . . 84 Val HG2 . 16563 1 1042 . 1 1 84 84 VAL HG23 H 1 0.964 . . 2 . . . . 84 Val HG2 . 16563 1 1043 . 1 1 84 84 VAL C C 13 174.077 . . 1 . . . . 84 Val C . 16563 1 1044 . 1 1 84 84 VAL CA C 13 61.568 . . 1 . . . . 84 Val CA . 16563 1 1045 . 1 1 84 84 VAL CB C 13 35.191 . . 1 . . . . 84 Val CB . 16563 1 1046 . 1 1 84 84 VAL CG1 C 13 20.253 . . 2 . . . . 84 Val CG1 . 16563 1 1047 . 1 1 84 84 VAL CG2 C 13 22.660 . . 2 . . . . 84 Val CG2 . 16563 1 1048 . 1 1 84 84 VAL N N 15 118.592 . . 1 . . . . 84 Val N . 16563 1 1049 . 1 1 85 85 PHE H H 1 8.851 . . 1 . . . . 85 Phe H . 16563 1 1050 . 1 1 85 85 PHE HA H 1 5.184 . . 1 . . . . 85 Phe HA . 16563 1 1051 . 1 1 85 85 PHE HB2 H 1 2.967 . . 2 . . . . 85 Phe HB2 . 16563 1 1052 . 1 1 85 85 PHE HB3 H 1 2.915 . . 2 . . . . 85 Phe HB3 . 16563 1 1053 . 1 1 85 85 PHE HD1 H 1 7.230 . . 2 . . . . 85 Phe HD1 . 16563 1 1054 . 1 1 85 85 PHE HD2 H 1 7.230 . . 2 . . . . 85 Phe HD2 . 16563 1 1055 . 1 1 85 85 PHE HE1 H 1 7.223 . . 2 . . . . 85 Phe HE1 . 16563 1 1056 . 1 1 85 85 PHE HE2 H 1 7.223 . . 2 . . . . 85 Phe HE2 . 16563 1 1057 . 1 1 85 85 PHE HZ H 1 7.263 . . 1 . . . . 85 Phe HZ . 16563 1 1058 . 1 1 85 85 PHE C C 13 172.976 . . 1 . . . . 85 Phe C . 16563 1 1059 . 1 1 85 85 PHE CA C 13 56.215 . . 1 . . . . 85 Phe CA . 16563 1 1060 . 1 1 85 85 PHE CB C 13 43.499 . . 1 . . . . 85 Phe CB . 16563 1 1061 . 1 1 85 85 PHE CD1 C 13 131.922 . . 2 . . . . 85 Phe CD1 . 16563 1 1062 . 1 1 85 85 PHE CD2 C 13 131.922 . . 2 . . . . 85 Phe CD2 . 16563 1 1063 . 1 1 85 85 PHE CE1 C 13 131.237 . . 2 . . . . 85 Phe CE1 . 16563 1 1064 . 1 1 85 85 PHE CE2 C 13 131.237 . . 2 . . . . 85 Phe CE2 . 16563 1 1065 . 1 1 85 85 PHE CZ C 13 129.740 . . 1 . . . . 85 Phe CZ . 16563 1 1066 . 1 1 85 85 PHE N N 15 129.548 . . 1 . . . . 85 Phe N . 16563 1 1067 . 1 1 86 86 VAL H H 1 8.890 . . 1 . . . . 86 Val H . 16563 1 1068 . 1 1 86 86 VAL HA H 1 4.883 . . 1 . . . . 86 Val HA . 16563 1 1069 . 1 1 86 86 VAL HB H 1 1.834 . . 1 . . . . 86 Val HB . 16563 1 1070 . 1 1 86 86 VAL HG11 H 1 0.617 . . 2 . . . . 86 Val HG1 . 16563 1 1071 . 1 1 86 86 VAL HG12 H 1 0.617 . . 2 . . . . 86 Val HG1 . 16563 1 1072 . 1 1 86 86 VAL HG13 H 1 0.617 . . 2 . . . . 86 Val HG1 . 16563 1 1073 . 1 1 86 86 VAL HG21 H 1 0.679 . . 2 . . . . 86 Val HG2 . 16563 1 1074 . 1 1 86 86 VAL HG22 H 1 0.679 . . 2 . . . . 86 Val HG2 . 16563 1 1075 . 1 1 86 86 VAL HG23 H 1 0.679 . . 2 . . . . 86 Val HG2 . 16563 1 1076 . 1 1 86 86 VAL C C 13 173.683 . . 1 . . . . 86 Val C . 16563 1 1077 . 1 1 86 86 VAL CA C 13 60.132 . . 1 . . . . 86 Val CA . 16563 1 1078 . 1 1 86 86 VAL CB C 13 33.888 . . 1 . . . . 86 Val CB . 16563 1 1079 . 1 1 86 86 VAL CG1 C 13 20.486 . . 2 . . . . 86 Val CG1 . 16563 1 1080 . 1 1 86 86 VAL CG2 C 13 20.698 . . 2 . . . . 86 Val CG2 . 16563 1 1081 . 1 1 86 86 VAL N N 15 125.549 . . 1 . . . . 86 Val N . 16563 1 1082 . 1 1 87 87 GLU H H 1 8.687 . . 1 . . . . 87 Glu H . 16563 1 1083 . 1 1 87 87 GLU HA H 1 4.760 . . 1 . . . . 87 Glu HA . 16563 1 1084 . 1 1 87 87 GLU HB2 H 1 1.928 . . 2 . . . . 87 Glu HB2 . 16563 1 1085 . 1 1 87 87 GLU HB3 H 1 1.850 . . 2 . . . . 87 Glu HB3 . 16563 1 1086 . 1 1 87 87 GLU HG2 H 1 2.064 . . 2 . . . . 87 Glu HG2 . 16563 1 1087 . 1 1 87 87 GLU HG3 H 1 1.948 . . 2 . . . . 87 Glu HG3 . 16563 1 1088 . 1 1 87 87 GLU C C 13 174.310 . . 1 . . . . 87 Glu C . 16563 1 1089 . 1 1 87 87 GLU CA C 13 54.245 . . 1 . . . . 87 Glu CA . 16563 1 1090 . 1 1 87 87 GLU CB C 13 33.516 . . 1 . . . . 87 Glu CB . 16563 1 1091 . 1 1 87 87 GLU CG C 13 36.390 . . 1 . . . . 87 Glu CG . 16563 1 1092 . 1 1 87 87 GLU N N 15 125.169 . . 1 . . . . 87 Glu N . 16563 1 1093 . 1 1 88 88 ILE H H 1 8.406 . . 1 . . . . 88 Ile H . 16563 1 1094 . 1 1 88 88 ILE HA H 1 5.035 . . 1 . . . . 88 Ile HA . 16563 1 1095 . 1 1 88 88 ILE HB H 1 2.054 . . 1 . . . . 88 Ile HB . 16563 1 1096 . 1 1 88 88 ILE HD11 H 1 0.583 . . 1 . . . . 88 Ile HD1 . 16563 1 1097 . 1 1 88 88 ILE HD12 H 1 0.583 . . 1 . . . . 88 Ile HD1 . 16563 1 1098 . 1 1 88 88 ILE HD13 H 1 0.583 . . 1 . . . . 88 Ile HD1 . 16563 1 1099 . 1 1 88 88 ILE HG12 H 1 1.247 . . 2 . . . . 88 Ile HG12 . 16563 1 1100 . 1 1 88 88 ILE HG13 H 1 0.732 . . 2 . . . . 88 Ile HG13 . 16563 1 1101 . 1 1 88 88 ILE HG21 H 1 0.431 . . 1 . . . . 88 Ile HG2 . 16563 1 1102 . 1 1 88 88 ILE HG22 H 1 0.431 . . 1 . . . . 88 Ile HG2 . 16563 1 1103 . 1 1 88 88 ILE HG23 H 1 0.431 . . 1 . . . . 88 Ile HG2 . 16563 1 1104 . 1 1 88 88 ILE C C 13 176.029 . . 1 . . . . 88 Ile C . 16563 1 1105 . 1 1 88 88 ILE CA C 13 60.133 . . 1 . . . . 88 Ile CA . 16563 1 1106 . 1 1 88 88 ILE CB C 13 36.074 . . 1 . . . . 88 Ile CB . 16563 1 1107 . 1 1 88 88 ILE CD1 C 13 13.376 . . 1 . . . . 88 Ile CD1 . 16563 1 1108 . 1 1 88 88 ILE CG1 C 13 28.239 . . 1 . . . . 88 Ile CG1 . 16563 1 1109 . 1 1 88 88 ILE CG2 C 13 18.743 . . 1 . . . . 88 Ile CG2 . 16563 1 1110 . 1 1 88 88 ILE N N 15 125.218 . . 1 . . . . 88 Ile N . 16563 1 1111 . 1 1 89 89 LYS H H 1 9.162 . . 1 . . . . 89 Lys H . 16563 1 1112 . 1 1 89 89 LYS HA H 1 4.933 . . 1 . . . . 89 Lys HA . 16563 1 1113 . 1 1 89 89 LYS HB2 H 1 1.859 . . 2 . . . . 89 Lys HB2 . 16563 1 1114 . 1 1 89 89 LYS HB3 H 1 1.580 . . 2 . . . . 89 Lys HB3 . 16563 1 1115 . 1 1 89 89 LYS HD2 H 1 1.598 . . 2 . . . . 89 Lys HD2 . 16563 1 1116 . 1 1 89 89 LYS HD3 H 1 1.598 . . 2 . . . . 89 Lys HD3 . 16563 1 1117 . 1 1 89 89 LYS HE2 H 1 2.868 . . 2 . . . . 89 Lys HE2 . 16563 1 1118 . 1 1 89 89 LYS HE3 H 1 2.868 . . 2 . . . . 89 Lys HE3 . 16563 1 1119 . 1 1 89 89 LYS HG2 H 1 1.345 . . 2 . . . . 89 Lys HG2 . 16563 1 1120 . 1 1 89 89 LYS HG3 H 1 1.294 . . 2 . . . . 89 Lys HG3 . 16563 1 1121 . 1 1 89 89 LYS C C 13 175.130 . . 1 . . . . 89 Lys C . 16563 1 1122 . 1 1 89 89 LYS CA C 13 54.502 . . 1 . . . . 89 Lys CA . 16563 1 1123 . 1 1 89 89 LYS CB C 13 36.775 . . 1 . . . . 89 Lys CB . 16563 1 1124 . 1 1 89 89 LYS CD C 13 29.295 . . 1 . . . . 89 Lys CD . 16563 1 1125 . 1 1 89 89 LYS CE C 13 41.959 . . 1 . . . . 89 Lys CE . 16563 1 1126 . 1 1 89 89 LYS CG C 13 24.626 . . 1 . . . . 89 Lys CG . 16563 1 1127 . 1 1 89 89 LYS N N 15 128.650 . . 1 . . . . 89 Lys N . 16563 1 1128 . 1 1 90 90 SER H H 1 8.801 . . 1 . . . . 90 Ser H . 16563 1 1129 . 1 1 90 90 SER HA H 1 5.080 . . 1 . . . . 90 Ser HA . 16563 1 1130 . 1 1 90 90 SER HB2 H 1 3.952 . . 2 . . . . 90 Ser HB2 . 16563 1 1131 . 1 1 90 90 SER HB3 H 1 3.822 . . 2 . . . . 90 Ser HB3 . 16563 1 1132 . 1 1 90 90 SER C C 13 175.948 . . 1 . . . . 90 Ser C . 16563 1 1133 . 1 1 90 90 SER CA C 13 58.039 . . 1 . . . . 90 Ser CA . 16563 1 1134 . 1 1 90 90 SER CB C 13 63.667 . . 1 . . . . 90 Ser CB . 16563 1 1135 . 1 1 90 90 SER N N 15 116.336 . . 1 . . . . 90 Ser N . 16563 1 1136 . 1 1 91 91 THR H H 1 8.562 . . 1 . . . . 91 Thr H . 16563 1 1137 . 1 1 91 91 THR HA H 1 4.299 . . 1 . . . . 91 Thr HA . 16563 1 1138 . 1 1 91 91 THR HB H 1 4.258 . . 1 . . . . 91 Thr HB . 16563 1 1139 . 1 1 91 91 THR HG21 H 1 1.123 . . 1 . . . . 91 Thr HG2 . 16563 1 1140 . 1 1 91 91 THR HG22 H 1 1.123 . . 1 . . . . 91 Thr HG2 . 16563 1 1141 . 1 1 91 91 THR HG23 H 1 1.123 . . 1 . . . . 91 Thr HG2 . 16563 1 1142 . 1 1 91 91 THR C C 13 174.603 . . 1 . . . . 91 Thr C . 16563 1 1143 . 1 1 91 91 THR CA C 13 62.143 . . 1 . . . . 91 Thr CA . 16563 1 1144 . 1 1 91 91 THR CB C 13 69.431 . . 1 . . . . 91 Thr CB . 16563 1 1145 . 1 1 91 91 THR CG2 C 13 22.102 . . 1 . . . . 91 Thr CG2 . 16563 1 1146 . 1 1 91 91 THR N N 15 117.740 . . 1 . . . . 91 Thr N . 16563 1 1147 . 1 1 92 92 GLN H H 1 8.423 . . 1 . . . . 92 Gln H . 16563 1 1148 . 1 1 92 92 GLN HA H 1 4.371 . . 1 . . . . 92 Gln HA . 16563 1 1149 . 1 1 92 92 GLN HB2 H 1 2.088 . . 2 . . . . 92 Gln HB2 . 16563 1 1150 . 1 1 92 92 GLN HB3 H 1 1.987 . . 2 . . . . 92 Gln HB3 . 16563 1 1151 . 1 1 92 92 GLN HE21 H 1 7.610 . . 2 . . . . 92 Gln HE21 . 16563 1 1152 . 1 1 92 92 GLN HE22 H 1 6.860 . . 2 . . . . 92 Gln HE22 . 16563 1 1153 . 1 1 92 92 GLN HG2 H 1 2.362 . . 2 . . . . 92 Gln HG2 . 16563 1 1154 . 1 1 92 92 GLN HG3 H 1 2.362 . . 2 . . . . 92 Gln HG3 . 16563 1 1155 . 1 1 92 92 GLN C C 13 175.894 . . 1 . . . . 92 Gln C . 16563 1 1156 . 1 1 92 92 GLN CA C 13 55.830 . . 1 . . . . 92 Gln CA . 16563 1 1157 . 1 1 92 92 GLN CB C 13 29.645 . . 1 . . . . 92 Gln CB . 16563 1 1158 . 1 1 92 92 GLN CG C 13 33.905 . . 1 . . . . 92 Gln CG . 16563 1 1159 . 1 1 92 92 GLN N N 15 122.268 . . 1 . . . . 92 Gln N . 16563 1 1160 . 1 1 92 92 GLN NE2 N 15 112.702 . . 1 . . . . 92 Gln NE2 . 16563 1 1161 . 1 1 93 93 LYS H H 1 8.463 . . 1 . . . . 93 Lys H . 16563 1 1162 . 1 1 93 93 LYS HA H 1 4.314 . . 1 . . . . 93 Lys HA . 16563 1 1163 . 1 1 93 93 LYS HB2 H 1 1.736 . . 2 . . . . 93 Lys HB2 . 16563 1 1164 . 1 1 93 93 LYS HB3 H 1 1.822 . . 2 . . . . 93 Lys HB3 . 16563 1 1165 . 1 1 93 93 LYS HD2 H 1 1.678 . . 2 . . . . 93 Lys HD2 . 16563 1 1166 . 1 1 93 93 LYS HD3 H 1 1.678 . . 2 . . . . 93 Lys HD3 . 16563 1 1167 . 1 1 93 93 LYS HE2 H 1 3.000 . . 2 . . . . 93 Lys HE2 . 16563 1 1168 . 1 1 93 93 LYS HE3 H 1 3.000 . . 2 . . . . 93 Lys HE3 . 16563 1 1169 . 1 1 93 93 LYS HG2 H 1 1.416 . . 2 . . . . 93 Lys HG2 . 16563 1 1170 . 1 1 93 93 LYS HG3 H 1 1.416 . . 2 . . . . 93 Lys HG3 . 16563 1 1171 . 1 1 93 93 LYS C C 13 176.313 . . 1 . . . . 93 Lys C . 16563 1 1172 . 1 1 93 93 LYS CA C 13 56.432 . . 1 . . . . 93 Lys CA . 16563 1 1173 . 1 1 93 93 LYS CB C 13 33.247 . . 1 . . . . 93 Lys CB . 16563 1 1174 . 1 1 93 93 LYS CD C 13 29.106 . . 1 . . . . 93 Lys CD . 16563 1 1175 . 1 1 93 93 LYS CE C 13 42.640 . . 1 . . . . 93 Lys CE . 16563 1 1176 . 1 1 93 93 LYS CG C 13 24.644 . . 1 . . . . 93 Lys CG . 16563 1 1177 . 1 1 93 93 LYS N N 15 123.651 . . 1 . . . . 93 Lys N . 16563 1 1178 . 1 1 94 94 ASP H H 1 8.478 . . 1 . . . . 94 Asp H . 16563 1 1179 . 1 1 94 94 ASP HA H 1 4.625 . . 1 . . . . 94 Asp HA . 16563 1 1180 . 1 1 94 94 ASP HB2 H 1 2.714 . . 2 . . . . 94 Asp HB2 . 16563 1 1181 . 1 1 94 94 ASP HB3 H 1 2.613 . . 2 . . . . 94 Asp HB3 . 16563 1 1182 . 1 1 94 94 ASP C C 13 176.231 . . 1 . . . . 94 Asp C . 16563 1 1183 . 1 1 94 94 ASP CA C 13 54.258 . . 1 . . . . 94 Asp CA . 16563 1 1184 . 1 1 94 94 ASP CB C 13 41.312 . . 1 . . . . 94 Asp CB . 16563 1 1185 . 1 1 94 94 ASP N N 15 121.925 . . 1 . . . . 94 Asp N . 16563 1 1186 . 1 1 95 95 SER H H 1 8.267 . . 1 . . . . 95 Ser H . 16563 1 1187 . 1 1 95 95 SER HA H 1 4.413 . . 1 . . . . 95 Ser HA . 16563 1 1188 . 1 1 95 95 SER HB2 H 1 3.852 . . 2 . . . . 95 Ser HB2 . 16563 1 1189 . 1 1 95 95 SER HB3 H 1 3.852 . . 2 . . . . 95 Ser HB3 . 16563 1 1190 . 1 1 95 95 SER C C 13 174.346 . . 1 . . . . 95 Ser C . 16563 1 1191 . 1 1 95 95 SER CA C 13 58.431 . . 1 . . . . 95 Ser CA . 16563 1 1192 . 1 1 95 95 SER CB C 13 63.901 . . 1 . . . . 95 Ser CB . 16563 1 1193 . 1 1 95 95 SER N N 15 116.507 . . 1 . . . . 95 Ser N . 16563 1 1194 . 1 1 96 96 LYS H H 1 8.350 . . 1 . . . . 96 Lys H . 16563 1 1195 . 1 1 96 96 LYS HA H 1 4.335 . . 1 . . . . 96 Lys HA . 16563 1 1196 . 1 1 96 96 LYS HB2 H 1 1.797 . . 2 . . . . 96 Lys HB2 . 16563 1 1197 . 1 1 96 96 LYS HB3 H 1 1.747 . . 2 . . . . 96 Lys HB3 . 16563 1 1198 . 1 1 96 96 LYS HD2 H 1 1.674 . . 2 . . . . 96 Lys HD2 . 16563 1 1199 . 1 1 96 96 LYS HD3 H 1 1.674 . . 2 . . . . 96 Lys HD3 . 16563 1 1200 . 1 1 96 96 LYS HE2 H 1 2.989 . . 2 . . . . 96 Lys HE2 . 16563 1 1201 . 1 1 96 96 LYS HE3 H 1 2.989 . . 2 . . . . 96 Lys HE3 . 16563 1 1202 . 1 1 96 96 LYS HG2 H 1 1.411 . . 2 . . . . 96 Lys HG2 . 16563 1 1203 . 1 1 96 96 LYS HG3 H 1 1.411 . . 2 . . . . 96 Lys HG3 . 16563 1 1204 . 1 1 96 96 LYS C C 13 176.115 . . 1 . . . . 96 Lys C . 16563 1 1205 . 1 1 96 96 LYS CA C 13 55.990 . . 1 . . . . 96 Lys CA . 16563 1 1206 . 1 1 96 96 LYS CB C 13 33.119 . . 1 . . . . 96 Lys CB . 16563 1 1207 . 1 1 96 96 LYS CD C 13 29.069 . . 1 . . . . 96 Lys CD . 16563 1 1208 . 1 1 96 96 LYS CE C 13 42.262 . . 1 . . . . 96 Lys CE . 16563 1 1209 . 1 1 96 96 LYS CG C 13 24.586 . . 1 . . . . 96 Lys CG . 16563 1 1210 . 1 1 96 96 LYS N N 15 122.992 . . 1 . . . . 96 Lys N . 16563 1 1211 . 1 1 97 97 ASP H H 1 8.405 . . 1 . . . . 97 Asp H . 16563 1 1212 . 1 1 97 97 ASP HA H 1 4.842 . . 1 . . . . 97 Asp HA . 16563 1 1213 . 1 1 97 97 ASP HB2 H 1 2.762 . . 2 . . . . 97 Asp HB2 . 16563 1 1214 . 1 1 97 97 ASP HB3 H 1 2.512 . . 2 . . . . 97 Asp HB3 . 16563 1 1215 . 1 1 97 97 ASP CA C 13 52.598 . . 1 . . . . 97 Asp CA . 16563 1 1216 . 1 1 97 97 ASP CB C 13 40.905 . . 1 . . . . 97 Asp CB . 16563 1 1217 . 1 1 97 97 ASP N N 15 123.585 . . 1 . . . . 97 Asp N . 16563 1 1218 . 1 1 98 98 PRO HA H 1 4.413 . . 1 . . . . 98 Pro HA . 16563 1 1219 . 1 1 98 98 PRO HB2 H 1 2.284 . . 2 . . . . 98 Pro HB2 . 16563 1 1220 . 1 1 98 98 PRO HB3 H 1 1.954 . . 2 . . . . 98 Pro HB3 . 16563 1 1221 . 1 1 98 98 PRO HD2 H 1 3.760 . . 2 . . . . 98 Pro HD2 . 16563 1 1222 . 1 1 98 98 PRO HD3 H 1 3.857 . . 2 . . . . 98 Pro HD3 . 16563 1 1223 . 1 1 98 98 PRO HG2 H 1 2.013 . . 2 . . . . 98 Pro HG2 . 16563 1 1224 . 1 1 98 98 PRO HG3 H 1 2.013 . . 2 . . . . 98 Pro HG3 . 16563 1 1225 . 1 1 98 98 PRO C C 13 176.929 . . 1 . . . . 98 Pro C . 16563 1 1226 . 1 1 98 98 PRO CA C 13 63.547 . . 1 . . . . 98 Pro CA . 16563 1 1227 . 1 1 98 98 PRO CB C 13 32.197 . . 1 . . . . 98 Pro CB . 16563 1 1228 . 1 1 98 98 PRO CD C 13 50.828 . . 1 . . . . 98 Pro CD . 16563 1 1229 . 1 1 98 98 PRO CG C 13 27.281 . . 1 . . . . 98 Pro CG . 16563 1 1230 . 1 1 99 99 ASP H H 1 8.464 . . 1 . . . . 99 Asp H . 16563 1 1231 . 1 1 99 99 ASP HA H 1 4.630 . . 1 . . . . 99 Asp HA . 16563 1 1232 . 1 1 99 99 ASP HB2 H 1 2.744 . . 2 . . . . 99 Asp HB2 . 16563 1 1233 . 1 1 99 99 ASP HB3 H 1 2.633 . . 2 . . . . 99 Asp HB3 . 16563 1 1234 . 1 1 99 99 ASP C C 13 176.820 . . 1 . . . . 99 Asp C . 16563 1 1235 . 1 1 99 99 ASP CA C 13 54.822 . . 1 . . . . 99 Asp CA . 16563 1 1236 . 1 1 99 99 ASP CB C 13 40.990 . . 1 . . . . 99 Asp CB . 16563 1 1237 . 1 1 99 99 ASP N N 15 119.955 . . 1 . . . . 99 Asp N . 16563 1 1238 . 1 1 100 100 THR H H 1 7.973 . . 1 . . . . 100 Thr H . 16563 1 1239 . 1 1 100 100 THR HA H 1 4.264 . . 1 . . . . 100 Thr HA . 16563 1 1240 . 1 1 100 100 THR HB H 1 4.326 . . 1 . . . . 100 Thr HB . 16563 1 1241 . 1 1 100 100 THR HG21 H 1 1.204 . . 1 . . . . 100 Thr HG2 . 16563 1 1242 . 1 1 100 100 THR HG22 H 1 1.204 . . 1 . . . . 100 Thr HG2 . 16563 1 1243 . 1 1 100 100 THR HG23 H 1 1.204 . . 1 . . . . 100 Thr HG2 . 16563 1 1244 . 1 1 100 100 THR C C 13 174.443 . . 1 . . . . 100 Thr C . 16563 1 1245 . 1 1 100 100 THR CA C 13 62.329 . . 1 . . . . 100 Thr CA . 16563 1 1246 . 1 1 100 100 THR CB C 13 69.838 . . 1 . . . . 100 Thr CB . 16563 1 1247 . 1 1 100 100 THR CG2 C 13 21.632 . . 1 . . . . 100 Thr CG2 . 16563 1 1248 . 1 1 100 100 THR N N 15 113.655 . . 1 . . . . 100 Thr N . 16563 1 1249 . 1 1 101 101 ASP H H 1 8.328 . . 1 . . . . 101 Asp H . 16563 1 1250 . 1 1 101 101 ASP HA H 1 4.605 . . 1 . . . . 101 Asp HA . 16563 1 1251 . 1 1 101 101 ASP HB2 H 1 2.693 . . 2 . . . . 101 Asp HB2 . 16563 1 1252 . 1 1 101 101 ASP HB3 H 1 2.601 . . 2 . . . . 101 Asp HB3 . 16563 1 1253 . 1 1 101 101 ASP C C 13 175.922 . . 1 . . . . 101 Asp C . 16563 1 1254 . 1 1 101 101 ASP CA C 13 54.738 . . 1 . . . . 101 Asp CA . 16563 1 1255 . 1 1 101 101 ASP CB C 13 41.051 . . 1 . . . . 101 Asp CB . 16563 1 1256 . 1 1 101 101 ASP N N 15 122.434 . . 1 . . . . 101 Asp N . 16563 1 1257 . 1 1 102 102 LEU H H 1 7.995 . . 1 . . . . 102 Leu H . 16563 1 1258 . 1 1 102 102 LEU HA H 1 4.304 . . 1 . . . . 102 Leu HA . 16563 1 1259 . 1 1 102 102 LEU HB2 H 1 1.580 . . 2 . . . . 102 Leu HB2 . 16563 1 1260 . 1 1 102 102 LEU HB3 H 1 1.580 . . 2 . . . . 102 Leu HB3 . 16563 1 1261 . 1 1 102 102 LEU HD11 H 1 0.907 . . 2 . . . . 102 Leu HD1 . 16563 1 1262 . 1 1 102 102 LEU HD12 H 1 0.907 . . 2 . . . . 102 Leu HD1 . 16563 1 1263 . 1 1 102 102 LEU HD13 H 1 0.907 . . 2 . . . . 102 Leu HD1 . 16563 1 1264 . 1 1 102 102 LEU HD21 H 1 0.841 . . 2 . . . . 102 Leu HD2 . 16563 1 1265 . 1 1 102 102 LEU HD22 H 1 0.841 . . 2 . . . . 102 Leu HD2 . 16563 1 1266 . 1 1 102 102 LEU HD23 H 1 0.841 . . 2 . . . . 102 Leu HD2 . 16563 1 1267 . 1 1 102 102 LEU HG H 1 1.567 . . 1 . . . . 102 Leu HG . 16563 1 1268 . 1 1 102 102 LEU C C 13 177.022 . . 1 . . . . 102 Leu C . 16563 1 1269 . 1 1 102 102 LEU CA C 13 55.258 . . 1 . . . . 102 Leu CA . 16563 1 1270 . 1 1 102 102 LEU CB C 13 42.377 . . 1 . . . . 102 Leu CB . 16563 1 1271 . 1 1 102 102 LEU CD1 C 13 24.929 . . 2 . . . . 102 Leu CD1 . 16563 1 1272 . 1 1 102 102 LEU CD2 C 13 23.618 . . 2 . . . . 102 Leu CD2 . 16563 1 1273 . 1 1 102 102 LEU CG C 13 26.955 . . 1 . . . . 102 Leu CG . 16563 1 1274 . 1 1 102 102 LEU N N 15 121.653 . . 1 . . . . 102 Leu N . 16563 1 1275 . 1 1 103 103 ILE H H 1 8.112 . . 1 . . . . 103 Ile H . 16563 1 1276 . 1 1 103 103 ILE HA H 1 4.136 . . 1 . . . . 103 Ile HA . 16563 1 1277 . 1 1 103 103 ILE HB H 1 1.832 . . 1 . . . . 103 Ile HB . 16563 1 1278 . 1 1 103 103 ILE HD11 H 1 0.831 . . 1 . . . . 103 Ile HD1 . 16563 1 1279 . 1 1 103 103 ILE HD12 H 1 0.831 . . 1 . . . . 103 Ile HD1 . 16563 1 1280 . 1 1 103 103 ILE HD13 H 1 0.831 . . 1 . . . . 103 Ile HD1 . 16563 1 1281 . 1 1 103 103 ILE HG12 H 1 1.469 . . 2 . . . . 103 Ile HG12 . 16563 1 1282 . 1 1 103 103 ILE HG13 H 1 1.163 . . 2 . . . . 103 Ile HG13 . 16563 1 1283 . 1 1 103 103 ILE HG21 H 1 0.831 . . 1 . . . . 103 Ile HG2 . 16563 1 1284 . 1 1 103 103 ILE HG22 H 1 0.831 . . 1 . . . . 103 Ile HG2 . 16563 1 1285 . 1 1 103 103 ILE HG23 H 1 0.831 . . 1 . . . . 103 Ile HG2 . 16563 1 1286 . 1 1 103 103 ILE C C 13 174.974 . . 1 . . . . 103 Ile C . 16563 1 1287 . 1 1 103 103 ILE CA C 13 61.024 . . 1 . . . . 103 Ile CA . 16563 1 1288 . 1 1 103 103 ILE CB C 13 38.342 . . 1 . . . . 103 Ile CB . 16563 1 1289 . 1 1 103 103 ILE CD1 C 13 12.570 . . 1 . . . . 103 Ile CD1 . 16563 1 1290 . 1 1 103 103 ILE CG1 C 13 27.354 . . 1 . . . . 103 Ile CG1 . 16563 1 1291 . 1 1 103 103 ILE CG2 C 13 17.473 . . 1 . . . . 103 Ile CG2 . 16563 1 1292 . 1 1 103 103 ILE N N 15 122.635 . . 1 . . . . 103 Ile N . 16563 1 1293 . 1 1 104 104 VAL H H 1 7.992 . . 1 . . . . 104 Val H . 16563 1 1294 . 1 1 104 104 VAL HA H 1 4.270 . . 1 . . . . 104 Val HA . 16563 1 1295 . 1 1 104 104 VAL HB H 1 1.967 . . 1 . . . . 104 Val HB . 16563 1 1296 . 1 1 104 104 VAL HG11 H 1 0.885 . . 2 . . . . 104 Val HG1 . 16563 1 1297 . 1 1 104 104 VAL HG12 H 1 0.885 . . 2 . . . . 104 Val HG1 . 16563 1 1298 . 1 1 104 104 VAL HG13 H 1 0.885 . . 2 . . . . 104 Val HG1 . 16563 1 1299 . 1 1 104 104 VAL HG21 H 1 0.911 . . 2 . . . . 104 Val HG2 . 16563 1 1300 . 1 1 104 104 VAL HG22 H 1 0.911 . . 2 . . . . 104 Val HG2 . 16563 1 1301 . 1 1 104 104 VAL HG23 H 1 0.911 . . 2 . . . . 104 Val HG2 . 16563 1 1302 . 1 1 104 104 VAL CA C 13 59.052 . . 1 . . . . 104 Val CA . 16563 1 1303 . 1 1 104 104 VAL CB C 13 34.548 . . 1 . . . . 104 Val CB . 16563 1 1304 . 1 1 104 104 VAL CG1 C 13 20.957 . . 2 . . . . 104 Val CG1 . 16563 1 1305 . 1 1 104 104 VAL CG2 C 13 20.428 . . 2 . . . . 104 Val CG2 . 16563 1 1306 . 1 1 104 104 VAL N N 15 123.790 . . 1 . . . . 104 Val N . 16563 1 1307 . 1 1 105 105 PRO HA H 1 4.367 . . 1 . . . . 105 Pro HA . 16563 1 1308 . 1 1 105 105 PRO HB2 H 1 2.255 . . 2 . . . . 105 Pro HB2 . 16563 1 1309 . 1 1 105 105 PRO HB3 H 1 1.843 . . 2 . . . . 105 Pro HB3 . 16563 1 1310 . 1 1 105 105 PRO HD2 H 1 3.700 . . 2 . . . . 105 Pro HD2 . 16563 1 1311 . 1 1 105 105 PRO HD3 H 1 3.857 . . 2 . . . . 105 Pro HD3 . 16563 1 1312 . 1 1 105 105 PRO HG2 H 1 1.978 . . 2 . . . . 105 Pro HG2 . 16563 1 1313 . 1 1 105 105 PRO HG3 H 1 1.978 . . 2 . . . . 105 Pro HG3 . 16563 1 1314 . 1 1 105 105 PRO C C 13 176.475 . . 1 . . . . 105 Pro C . 16563 1 1315 . 1 1 105 105 PRO CA C 13 63.346 . . 1 . . . . 105 Pro CA . 16563 1 1316 . 1 1 105 105 PRO CB C 13 32.197 . . 1 . . . . 105 Pro CB . 16563 1 1317 . 1 1 105 105 PRO CD C 13 51.051 . . 1 . . . . 105 Pro CD . 16563 1 1318 . 1 1 105 105 PRO CG C 13 27.341 . . 1 . . . . 105 Pro CG . 16563 1 1319 . 1 1 106 106 ASN H H 1 8.472 . . 1 . . . . 106 Asn H . 16563 1 1320 . 1 1 106 106 ASN HA H 1 4.641 . . 1 . . . . 106 Asn HA . 16563 1 1321 . 1 1 106 106 ASN HB2 H 1 2.801 . . 2 . . . . 106 Asn HB2 . 16563 1 1322 . 1 1 106 106 ASN HB3 H 1 2.767 . . 2 . . . . 106 Asn HB3 . 16563 1 1323 . 1 1 106 106 ASN HD21 H 1 7.616 . . 2 . . . . 106 Asn HD21 . 16563 1 1324 . 1 1 106 106 ASN HD22 H 1 6.946 . . 2 . . . . 106 Asn HD22 . 16563 1 1325 . 1 1 106 106 ASN C C 13 175.300 . . 1 . . . . 106 Asn C . 16563 1 1326 . 1 1 106 106 ASN CA C 13 53.296 . . 1 . . . . 106 Asn CA . 16563 1 1327 . 1 1 106 106 ASN CB C 13 38.659 . . 1 . . . . 106 Asn CB . 16563 1 1328 . 1 1 106 106 ASN N N 15 118.499 . . 1 . . . . 106 Asn N . 16563 1 1329 . 1 1 106 106 ASN ND2 N 15 112.852 . . 1 . . . . 106 Asn ND2 . 16563 1 1330 . 1 1 107 107 LEU H H 1 8.258 . . 1 . . . . 107 Leu H . 16563 1 1331 . 1 1 107 107 LEU HA H 1 4.284 . . 1 . . . . 107 Leu HA . 16563 1 1332 . 1 1 107 107 LEU HB2 H 1 1.557 . . 2 . . . . 107 Leu HB2 . 16563 1 1333 . 1 1 107 107 LEU HB3 H 1 1.557 . . 2 . . . . 107 Leu HB3 . 16563 1 1334 . 1 1 107 107 LEU HD11 H 1 0.889 . . 2 . . . . 107 Leu HD1 . 16563 1 1335 . 1 1 107 107 LEU HD12 H 1 0.889 . . 2 . . . . 107 Leu HD1 . 16563 1 1336 . 1 1 107 107 LEU HD13 H 1 0.889 . . 2 . . . . 107 Leu HD1 . 16563 1 1337 . 1 1 107 107 LEU HD21 H 1 0.823 . . 2 . . . . 107 Leu HD2 . 16563 1 1338 . 1 1 107 107 LEU HD22 H 1 0.823 . . 2 . . . . 107 Leu HD2 . 16563 1 1339 . 1 1 107 107 LEU HD23 H 1 0.823 . . 2 . . . . 107 Leu HD2 . 16563 1 1340 . 1 1 107 107 LEU HG H 1 1.571 . . 1 . . . . 107 Leu HG . 16563 1 1341 . 1 1 107 107 LEU C C 13 177.430 . . 1 . . . . 107 Leu C . 16563 1 1342 . 1 1 107 107 LEU CA C 13 55.279 . . 1 . . . . 107 Leu CA . 16563 1 1343 . 1 1 107 107 LEU CB C 13 42.345 . . 1 . . . . 107 Leu CB . 16563 1 1344 . 1 1 107 107 LEU CD1 C 13 24.961 . . 2 . . . . 107 Leu CD1 . 16563 1 1345 . 1 1 107 107 LEU CD2 C 13 23.392 . . 2 . . . . 107 Leu CD2 . 16563 1 1346 . 1 1 107 107 LEU CG C 13 26.966 . . 1 . . . . 107 Leu CG . 16563 1 1347 . 1 1 107 107 LEU N N 15 122.932 . . 1 . . . . 107 Leu N . 16563 1 1348 . 1 1 108 108 GLU H H 1 8.321 . . 1 . . . . 108 Glu H . 16563 1 1349 . 1 1 108 108 GLU HA H 1 4.152 . . 1 . . . . 108 Glu HA . 16563 1 1350 . 1 1 108 108 GLU HB2 H 1 1.879 . . 2 . . . . 108 Glu HB2 . 16563 1 1351 . 1 1 108 108 GLU HB3 H 1 1.879 . . 2 . . . . 108 Glu HB3 . 16563 1 1352 . 1 1 108 108 GLU HG2 H 1 2.201 . . 2 . . . . 108 Glu HG2 . 16563 1 1353 . 1 1 108 108 GLU HG3 H 1 2.124 . . 2 . . . . 108 Glu HG3 . 16563 1 1354 . 1 1 108 108 GLU C C 13 176.394 . . 1 . . . . 108 Glu C . 16563 1 1355 . 1 1 108 108 GLU CA C 13 56.797 . . 1 . . . . 108 Glu CA . 16563 1 1356 . 1 1 108 108 GLU CB C 13 30.076 . . 1 . . . . 108 Glu CB . 16563 1 1357 . 1 1 108 108 GLU CG C 13 36.249 . . 1 . . . . 108 Glu CG . 16563 1 1358 . 1 1 108 108 GLU N N 15 120.766 . . 1 . . . . 108 Glu N . 16563 1 1359 . 1 1 109 109 HIS H H 1 8.230 . . 1 . . . . 109 His H . 16563 1 1360 . 1 1 109 109 HIS HA H 1 4.569 . . 1 . . . . 109 His HA . 16563 1 1361 . 1 1 109 109 HIS HB2 H 1 3.051 . . 2 . . . . 109 His HB2 . 16563 1 1362 . 1 1 109 109 HIS HB3 H 1 3.051 . . 2 . . . . 109 His HB3 . 16563 1 1363 . 1 1 109 109 HIS CA C 13 56.018 . . 1 . . . . 109 His CA . 16563 1 1364 . 1 1 109 109 HIS CB C 13 30.094 . . 1 . . . . 109 His CB . 16563 1 1365 . 1 1 109 109 HIS N N 15 119.324 . . 1 . . . . 109 His N . 16563 1 1366 . 1 1 110 110 HIS H H 1 8.133 . . 1 . . . . 110 His H . 16563 1 1367 . 1 1 110 110 HIS HA H 1 4.424 . . 1 . . . . 110 His HA . 16563 1 1368 . 1 1 110 110 HIS HB2 H 1 3.194 . . 2 . . . . 110 His HB2 . 16563 1 1369 . 1 1 110 110 HIS HB3 H 1 3.067 . . 2 . . . . 110 His HB3 . 16563 1 1370 . 1 1 110 110 HIS CA C 13 57.293 . . 1 . . . . 110 His CA . 16563 1 1371 . 1 1 110 110 HIS CB C 13 30.284 . . 1 . . . . 110 His CB . 16563 1 1372 . 1 1 110 110 HIS N N 15 125.416 . . 1 . . . . 110 His N . 16563 1 stop_ save_