data_15762 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15762 _Entry.Title ; NMR Structure of Protein yiiS from Shigella flexneri: Northeast Structural Genomics Consortium Target SfR90 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-08 _Entry.Accession_date 2008-05-08 _Entry.Last_release_date 2008-05-09 _Entry.Original_release_date 2008-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Jeffrey Mills . L. . 15762 2 'Kiran Kumar' Singarapu . . . 15762 3 Alex Eletski . . . 15762 4 Dinesh Sukumaran . K. . 15762 5 Dongyang Wang . . . 15762 6 Mei Jiang . . . 15762 7 Colleen Ciccosanti . . . 15762 8 Rong Xiao . . . 15762 9 Jinfeng Liu . . . 15762 10 Michael Baran . C. . 15762 11 G.V.T Swapna . . . 15762 12 Thomas Acton . B. . 15762 13 Burkhard Rost . . . 15762 14 Gaetano Montelione . . . 15762 15 Thomas Szyperski . . . 15762 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15762 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15762 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 15762 '15N chemical shifts' 105 15762 '1H chemical shifts' 683 15762 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-05-09 2008-05-08 original author . 15762 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K3I 'BMRB Entry Tracking System' 15762 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15762 _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 'NMR STRUCTURE OF PROTEIN YIIS FROM SHIGELLA FLEXNERI: NORTHEAST STRUCTURAL GENOMICS TARGET SFR90' _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 Jeffrey Mills . L. . 15762 1 2 'Kiran Kumar' Singarapu . . . 15762 1 3 Alex Eletski . . . 15762 1 4 Dinesh Sukumaran . K. . 15762 1 5 Dongyang Wang . . . 15762 1 6 Mei Jiang . . . 15762 1 7 Colleen Ciccosanti . . . 15762 1 8 Rong Xiao . . . 15762 1 9 Jinfeng Liu . . . 15762 1 10 Michael Baran . C. . 15762 1 11 'G. V. T.' Swapna . . . 15762 1 12 Thomas Acton . B. . 15762 1 13 Burkhard Rost . . . 15762 1 14 Gaetano Montelione . . . 15762 1 15 Thomas Szyperski . . . 15762 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15762 _Assembly.ID 1 _Assembly.Name SfR90 _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 SfR90 1 $SfR90 A . yes native no no . . . 15762 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SfR90 _Entity.Sf_category entity _Entity.Sf_framecode SfR90 _Entity.Entry_ID 15762 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SfR90 _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 ; MAMKDVVDKCSTKGCAIDIG TVIDNDNCTSKFSRFFATRE EAESFMTKLKELAAAASSAD EGASVAYKIKDLEGQVELDA AFTFSCQAEMIIFELSLRSL ALEHHHHHH ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12030.683 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K3I . "Solution Nmr Structure Of Protein Yiis From Shigella Flexneri. Northeast Structural Genomics Consortium Target Sfr90" . . . . . 100.00 109 100.00 100.00 2.39e-71 . . . . 15762 1 2 no DBJ BAB38270 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 3 no DBJ BAE77388 . "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 90.83 99 98.99 98.99 2.80e-62 . . . . 15762 1 4 no DBJ BAG79735 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 5 no DBJ BAI27828 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 6 no DBJ BAI33302 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 7 no EMBL CAP78379 . "UPF0381 protein yiiS [Escherichia coli LF82]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 8 no EMBL CAQ34273 . "conserved protein [Escherichia coli BL21(DE3)]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 9 no EMBL CAR00898 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 10 no EMBL CAR05552 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 11 no EMBL CAR10594 . "conserved hypothetical protein [Escherichia coli ED1a]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 12 no GB AAB03054 . "ORF_o99 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.83 99 98.99 98.99 2.80e-62 . . . . 15762 1 13 no GB AAC76904 . "UPF0381 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.83 99 98.99 98.99 2.80e-62 . . . . 15762 1 14 no GB AAG59115 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 15 no GB AAN45433 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 16 no GB AAN83302 . "Hypothetical protein yiiS [Escherichia coli CFT073]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 17 no REF NP_312874 . "hypothetical protein ECs4847 [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 18 no REF NP_418357 . "UPF0381 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.83 99 98.99 98.99 2.80e-62 . . . . 15762 1 19 no REF NP_709726 . "hypothetical protein SF4000 [Shigella flexneri 2a str. 301]" . . . . . 90.83 99 100.00 100.00 5.70e-63 . . . . 15762 1 20 no REF WP_000655983 . "hypothetical protein [Escherichia coli]" . . . . . 90.83 99 98.99 98.99 4.67e-62 . . . . 15762 1 21 no REF WP_000655984 . "hypothetical protein [Shigella boydii]" . . . . . 90.83 99 98.99 98.99 7.07e-62 . . . . 15762 1 22 no SP P32162 . "RecName: Full=UPF0381 protein YiiS" . . . . . 90.83 99 98.99 98.99 2.80e-62 . . . . 15762 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 . 15762 1 2 . ALA . 15762 1 3 . MET . 15762 1 4 . LYS . 15762 1 5 . ASP . 15762 1 6 . VAL . 15762 1 7 . VAL . 15762 1 8 . ASP . 15762 1 9 . LYS . 15762 1 10 . CYS . 15762 1 11 . SER . 15762 1 12 . THR . 15762 1 13 . LYS . 15762 1 14 . GLY . 15762 1 15 . CYS . 15762 1 16 . ALA . 15762 1 17 . ILE . 15762 1 18 . ASP . 15762 1 19 . ILE . 15762 1 20 . GLY . 15762 1 21 . THR . 15762 1 22 . VAL . 15762 1 23 . ILE . 15762 1 24 . ASP . 15762 1 25 . ASN . 15762 1 26 . ASP . 15762 1 27 . ASN . 15762 1 28 . CYS . 15762 1 29 . THR . 15762 1 30 . SER . 15762 1 31 . LYS . 15762 1 32 . PHE . 15762 1 33 . SER . 15762 1 34 . ARG . 15762 1 35 . PHE . 15762 1 36 . PHE . 15762 1 37 . ALA . 15762 1 38 . THR . 15762 1 39 . ARG . 15762 1 40 . GLU . 15762 1 41 . GLU . 15762 1 42 . ALA . 15762 1 43 . GLU . 15762 1 44 . SER . 15762 1 45 . PHE . 15762 1 46 . MET . 15762 1 47 . THR . 15762 1 48 . LYS . 15762 1 49 . LEU . 15762 1 50 . LYS . 15762 1 51 . GLU . 15762 1 52 . LEU . 15762 1 53 . ALA . 15762 1 54 . ALA . 15762 1 55 . ALA . 15762 1 56 . ALA . 15762 1 57 . SER . 15762 1 58 . SER . 15762 1 59 . ALA . 15762 1 60 . ASP . 15762 1 61 . GLU . 15762 1 62 . GLY . 15762 1 63 . ALA . 15762 1 64 . SER . 15762 1 65 . VAL . 15762 1 66 . ALA . 15762 1 67 . TYR . 15762 1 68 . LYS . 15762 1 69 . ILE . 15762 1 70 . LYS . 15762 1 71 . ASP . 15762 1 72 . LEU . 15762 1 73 . GLU . 15762 1 74 . GLY . 15762 1 75 . GLN . 15762 1 76 . VAL . 15762 1 77 . GLU . 15762 1 78 . LEU . 15762 1 79 . ASP . 15762 1 80 . ALA . 15762 1 81 . ALA . 15762 1 82 . PHE . 15762 1 83 . THR . 15762 1 84 . PHE . 15762 1 85 . SER . 15762 1 86 . CYS . 15762 1 87 . GLN . 15762 1 88 . ALA . 15762 1 89 . GLU . 15762 1 90 . MET . 15762 1 91 . ILE . 15762 1 92 . ILE . 15762 1 93 . PHE . 15762 1 94 . GLU . 15762 1 95 . LEU . 15762 1 96 . SER . 15762 1 97 . LEU . 15762 1 98 . ARG . 15762 1 99 . SER . 15762 1 100 . LEU . 15762 1 101 . ALA . 15762 1 102 . LEU . 15762 1 103 . GLU . 15762 1 104 . HIS . 15762 1 105 . HIS . 15762 1 106 . HIS . 15762 1 107 . HIS . 15762 1 108 . HIS . 15762 1 109 . HIS . 15762 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 15762 1 . ALA 2 2 15762 1 . MET 3 3 15762 1 . LYS 4 4 15762 1 . ASP 5 5 15762 1 . VAL 6 6 15762 1 . VAL 7 7 15762 1 . ASP 8 8 15762 1 . LYS 9 9 15762 1 . CYS 10 10 15762 1 . SER 11 11 15762 1 . THR 12 12 15762 1 . LYS 13 13 15762 1 . GLY 14 14 15762 1 . CYS 15 15 15762 1 . ALA 16 16 15762 1 . ILE 17 17 15762 1 . ASP 18 18 15762 1 . ILE 19 19 15762 1 . GLY 20 20 15762 1 . THR 21 21 15762 1 . VAL 22 22 15762 1 . ILE 23 23 15762 1 . ASP 24 24 15762 1 . ASN 25 25 15762 1 . ASP 26 26 15762 1 . ASN 27 27 15762 1 . CYS 28 28 15762 1 . THR 29 29 15762 1 . SER 30 30 15762 1 . LYS 31 31 15762 1 . PHE 32 32 15762 1 . SER 33 33 15762 1 . ARG 34 34 15762 1 . PHE 35 35 15762 1 . PHE 36 36 15762 1 . ALA 37 37 15762 1 . THR 38 38 15762 1 . ARG 39 39 15762 1 . GLU 40 40 15762 1 . GLU 41 41 15762 1 . ALA 42 42 15762 1 . GLU 43 43 15762 1 . SER 44 44 15762 1 . PHE 45 45 15762 1 . MET 46 46 15762 1 . THR 47 47 15762 1 . LYS 48 48 15762 1 . LEU 49 49 15762 1 . LYS 50 50 15762 1 . GLU 51 51 15762 1 . LEU 52 52 15762 1 . ALA 53 53 15762 1 . ALA 54 54 15762 1 . ALA 55 55 15762 1 . ALA 56 56 15762 1 . SER 57 57 15762 1 . SER 58 58 15762 1 . ALA 59 59 15762 1 . ASP 60 60 15762 1 . GLU 61 61 15762 1 . GLY 62 62 15762 1 . ALA 63 63 15762 1 . SER 64 64 15762 1 . VAL 65 65 15762 1 . ALA 66 66 15762 1 . TYR 67 67 15762 1 . LYS 68 68 15762 1 . ILE 69 69 15762 1 . LYS 70 70 15762 1 . ASP 71 71 15762 1 . LEU 72 72 15762 1 . GLU 73 73 15762 1 . GLY 74 74 15762 1 . GLN 75 75 15762 1 . VAL 76 76 15762 1 . GLU 77 77 15762 1 . LEU 78 78 15762 1 . ASP 79 79 15762 1 . ALA 80 80 15762 1 . ALA 81 81 15762 1 . PHE 82 82 15762 1 . THR 83 83 15762 1 . PHE 84 84 15762 1 . SER 85 85 15762 1 . CYS 86 86 15762 1 . GLN 87 87 15762 1 . ALA 88 88 15762 1 . GLU 89 89 15762 1 . MET 90 90 15762 1 . ILE 91 91 15762 1 . ILE 92 92 15762 1 . PHE 93 93 15762 1 . GLU 94 94 15762 1 . LEU 95 95 15762 1 . SER 96 96 15762 1 . LEU 97 97 15762 1 . ARG 98 98 15762 1 . SER 99 99 15762 1 . LEU 100 100 15762 1 . ALA 101 101 15762 1 . LEU 102 102 15762 1 . GLU 103 103 15762 1 . HIS 104 104 15762 1 . HIS 105 105 15762 1 . HIS 106 106 15762 1 . HIS 107 107 15762 1 . HIS 108 108 15762 1 . HIS 109 109 15762 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 15762 _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 $SfR90 . 623 organism . 'Shigella flexneri' 'Shigella flexneri' . . Bacteria . Shigella flexneri . . . . . . . . . . . . . . . . . . . . . 15762 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 15762 _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 $SfR90 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21 . . . . . . 15762 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15762 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SfR90 '[U-100% 13C; U-100% 15N]' . . 1 $SfR90 . . 1.1 . . mM . . . . 15762 1 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15762 1 3 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15762 1 4 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15762 1 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15762 1 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15762 1 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15762 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15762 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SfR90 '[U-5% 13C; U-100% 15N]' . . 1 $SfR90 . . 1.02 . . mM . . . . 15762 2 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15762 2 3 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15762 2 4 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15762 2 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15762 2 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15762 2 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15762 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 15762 _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' 0.2 . M 15762 1 pH 6.5 . pH 15762 1 pressure 1 . atm 15762 1 temperature 298 . K 15762 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15762 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15762 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15762 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15762 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15762 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15762 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15762 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15762 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15762 3 'data analysis' 15762 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15762 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15762 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15762 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15762 _Software.ID 5 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15762 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15762 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15762 _Software.ID 6 _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' . . 15762 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15762 6 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15762 _Software.ID 7 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15762 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15762 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15762 _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' . . 15762 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15762 8 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15762 _Software.ID 9 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15762 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15762 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 15762 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15762 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 15762 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 15762 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 3 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 4 '4,3 D GFT HNNACBCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 5 '4,3 D GFT CABCACONHN' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 6 '4,3D HABCABCONHN' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 7 '4,3D GFT HCCH COSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 8 '3D HCCH-COSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 9 '3D SimNOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15762 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 15762 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15762 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15762 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15762 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 15762 _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 9 '3D SimNOESY' . . . 15762 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $XEASY . . 15762 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.530 0.020 . 1 . . . . 1 MET HA . 15762 1 2 . 1 1 1 1 MET HB2 H 1 2.951 0.020 . 2 . . . . 1 MET HB2 . 15762 1 3 . 1 1 1 1 MET HB3 H 1 2.927 0.020 . 2 . . . . 1 MET HB3 . 15762 1 4 . 1 1 1 1 MET C C 13 174.152 0.400 . 1 . . . . 1 MET C . 15762 1 5 . 1 1 1 1 MET CA C 13 58.121 0.400 . 1 . . . . 1 MET CA . 15762 1 6 . 1 1 1 1 MET CB C 13 28.222 0.400 . 1 . . . . 1 MET CB . 15762 1 7 . 1 1 2 2 ALA H H 1 8.447 0.020 . 1 . . . . 2 ALA H . 15762 1 8 . 1 1 2 2 ALA HA H 1 4.371 0.020 . 1 . . . . 2 ALA HA . 15762 1 9 . 1 1 2 2 ALA HB1 H 1 1.400 0.020 . 1 . . . . 2 ALA HB . 15762 1 10 . 1 1 2 2 ALA HB2 H 1 1.400 0.020 . 1 . . . . 2 ALA HB . 15762 1 11 . 1 1 2 2 ALA HB3 H 1 1.400 0.020 . 1 . . . . 2 ALA HB . 15762 1 12 . 1 1 2 2 ALA C C 13 177.412 0.400 . 1 . . . . 2 ALA C . 15762 1 13 . 1 1 2 2 ALA CA C 13 52.521 0.400 . 1 . . . . 2 ALA CA . 15762 1 14 . 1 1 2 2 ALA CB C 13 19.162 0.400 . 1 . . . . 2 ALA CB . 15762 1 15 . 1 1 2 2 ALA N N 15 126.662 0.400 . 1 . . . . 2 ALA N . 15762 1 16 . 1 1 3 3 MET H H 1 8.054 0.020 . 1 . . . . 3 MET H . 15762 1 17 . 1 1 3 3 MET HA H 1 4.390 0.020 . 1 . . . . 3 MET HA . 15762 1 18 . 1 1 3 3 MET CA C 13 56.160 0.400 . 1 . . . . 3 MET CA . 15762 1 19 . 1 1 3 3 MET N N 15 119.443 0.400 . 1 . . . . 3 MET N . 15762 1 20 . 1 1 4 4 LYS HA H 1 4.792 0.020 . 1 . . . . 4 LYS HA . 15762 1 21 . 1 1 4 4 LYS HB2 H 1 1.783 0.020 . 2 . . . . 4 LYS HB2 . 15762 1 22 . 1 1 4 4 LYS HB3 H 1 1.857 0.020 . 2 . . . . 4 LYS HB3 . 15762 1 23 . 1 1 4 4 LYS HD2 H 1 1.610 0.020 . 2 . . . . 4 LYS HD2 . 15762 1 24 . 1 1 4 4 LYS HD3 H 1 1.610 0.020 . 2 . . . . 4 LYS HD3 . 15762 1 25 . 1 1 4 4 LYS HG2 H 1 1.403 0.020 . 2 . . . . 4 LYS HG2 . 15762 1 26 . 1 1 4 4 LYS HG3 H 1 1.405 0.020 . 2 . . . . 4 LYS HG3 . 15762 1 27 . 1 1 4 4 LYS C C 13 175.663 0.400 . 1 . . . . 4 LYS C . 15762 1 28 . 1 1 4 4 LYS CA C 13 56.391 0.400 . 1 . . . . 4 LYS CA . 15762 1 29 . 1 1 4 4 LYS CB C 13 33.608 0.400 . 1 . . . . 4 LYS CB . 15762 1 30 . 1 1 5 5 ASP H H 1 8.478 0.020 . 1 . . . . 5 ASP H . 15762 1 31 . 1 1 5 5 ASP HA H 1 4.596 0.020 . 1 . . . . 5 ASP HA . 15762 1 32 . 1 1 5 5 ASP HB2 H 1 2.696 0.020 . 2 . . . . 5 ASP HB2 . 15762 1 33 . 1 1 5 5 ASP HB3 H 1 2.598 0.020 . 2 . . . . 5 ASP HB3 . 15762 1 34 . 1 1 5 5 ASP C C 13 175.901 0.400 . 1 . . . . 5 ASP C . 15762 1 35 . 1 1 5 5 ASP CA C 13 54.373 0.400 . 1 . . . . 5 ASP CA . 15762 1 36 . 1 1 5 5 ASP CB C 13 41.125 0.400 . 1 . . . . 5 ASP CB . 15762 1 37 . 1 1 5 5 ASP N N 15 122.206 0.400 . 1 . . . . 5 ASP N . 15762 1 38 . 1 1 6 6 VAL H H 1 8.154 0.020 . 1 . . . . 6 VAL H . 15762 1 39 . 1 1 6 6 VAL HA H 1 4.141 0.020 . 1 . . . . 6 VAL HA . 15762 1 40 . 1 1 6 6 VAL HB H 1 2.070 0.020 . 1 . . . . 6 VAL HB . 15762 1 41 . 1 1 6 6 VAL HG11 H 1 0.940 0.020 . 2 . . . . 6 VAL HG1 . 15762 1 42 . 1 1 6 6 VAL HG12 H 1 0.940 0.020 . 2 . . . . 6 VAL HG1 . 15762 1 43 . 1 1 6 6 VAL HG13 H 1 0.940 0.020 . 2 . . . . 6 VAL HG1 . 15762 1 44 . 1 1 6 6 VAL HG21 H 1 0.931 0.020 . 2 . . . . 6 VAL HG2 . 15762 1 45 . 1 1 6 6 VAL HG22 H 1 0.931 0.020 . 2 . . . . 6 VAL HG2 . 15762 1 46 . 1 1 6 6 VAL HG23 H 1 0.931 0.020 . 2 . . . . 6 VAL HG2 . 15762 1 47 . 1 1 6 6 VAL C C 13 176.095 0.400 . 1 . . . . 6 VAL C . 15762 1 48 . 1 1 6 6 VAL CA C 13 62.172 0.400 . 1 . . . . 6 VAL CA . 15762 1 49 . 1 1 6 6 VAL CB C 13 32.702 0.400 . 1 . . . . 6 VAL CB . 15762 1 50 . 1 1 6 6 VAL CG1 C 13 20.416 0.400 . 1 . . . . 6 VAL CG1 . 15762 1 51 . 1 1 6 6 VAL CG2 C 13 20.631 0.400 . 1 . . . . 6 VAL CG2 . 15762 1 52 . 1 1 6 6 VAL N N 15 120.253 0.400 . 1 . . . . 6 VAL N . 15762 1 53 . 1 1 7 7 VAL H H 1 8.205 0.020 . 1 . . . . 7 VAL H . 15762 1 54 . 1 1 7 7 VAL HA H 1 4.131 0.020 . 1 . . . . 7 VAL HA . 15762 1 55 . 1 1 7 7 VAL HB H 1 2.076 0.020 . 1 . . . . 7 VAL HB . 15762 1 56 . 1 1 7 7 VAL HG11 H 1 0.937 0.020 . 2 . . . . 7 VAL HG1 . 15762 1 57 . 1 1 7 7 VAL HG12 H 1 0.937 0.020 . 2 . . . . 7 VAL HG1 . 15762 1 58 . 1 1 7 7 VAL HG13 H 1 0.937 0.020 . 2 . . . . 7 VAL HG1 . 15762 1 59 . 1 1 7 7 VAL HG21 H 1 0.925 0.020 . 2 . . . . 7 VAL HG2 . 15762 1 60 . 1 1 7 7 VAL HG22 H 1 0.925 0.020 . 2 . . . . 7 VAL HG2 . 15762 1 61 . 1 1 7 7 VAL HG23 H 1 0.925 0.020 . 2 . . . . 7 VAL HG2 . 15762 1 62 . 1 1 7 7 VAL C C 13 175.685 0.400 . 1 . . . . 7 VAL C . 15762 1 63 . 1 1 7 7 VAL CA C 13 62.181 0.400 . 1 . . . . 7 VAL CA . 15762 1 64 . 1 1 7 7 VAL CB C 13 32.612 0.400 . 1 . . . . 7 VAL CB . 15762 1 65 . 1 1 7 7 VAL CG1 C 13 20.499 0.400 . 1 . . . . 7 VAL CG1 . 15762 1 66 . 1 1 7 7 VAL CG2 C 13 20.714 0.400 . 1 . . . . 7 VAL CG2 . 15762 1 67 . 1 1 7 7 VAL N N 15 123.806 0.400 . 1 . . . . 7 VAL N . 15762 1 68 . 1 1 8 8 ASP H H 1 8.399 0.020 . 1 . . . . 8 ASP H . 15762 1 69 . 1 1 8 8 ASP HA H 1 4.613 0.020 . 1 . . . . 8 ASP HA . 15762 1 70 . 1 1 8 8 ASP HB2 H 1 1.880 0.020 . 2 . . . . 8 ASP HB2 . 15762 1 71 . 1 1 8 8 ASP HB3 H 1 1.871 0.020 . 2 . . . . 8 ASP HB3 . 15762 1 72 . 1 1 8 8 ASP C C 13 175.685 0.400 . 1 . . . . 8 ASP C . 15762 1 73 . 1 1 8 8 ASP CA C 13 54.051 0.400 . 1 . . . . 8 ASP CA . 15762 1 74 . 1 1 8 8 ASP CB C 13 38.815 0.400 . 1 . . . . 8 ASP CB . 15762 1 75 . 1 1 8 8 ASP N N 15 122.257 0.400 . 1 . . . . 8 ASP N . 15762 1 76 . 1 1 9 9 LYS H H 1 8.384 0.020 . 1 . . . . 9 LYS H . 15762 1 77 . 1 1 9 9 LYS HA H 1 4.324 0.020 . 1 . . . . 9 LYS HA . 15762 1 78 . 1 1 9 9 LYS HB2 H 1 1.894 0.020 . 2 . . . . 9 LYS HB2 . 15762 1 79 . 1 1 9 9 LYS HB3 H 1 1.789 0.020 . 2 . . . . 9 LYS HB3 . 15762 1 80 . 1 1 9 9 LYS HE2 H 1 2.930 0.020 . 2 . . . . 9 LYS HE2 . 15762 1 81 . 1 1 9 9 LYS HE3 H 1 2.930 0.020 . 2 . . . . 9 LYS HE3 . 15762 1 82 . 1 1 9 9 LYS HG2 H 1 1.460 0.020 . 2 . . . . 9 LYS HG2 . 15762 1 83 . 1 1 9 9 LYS HG3 H 1 1.460 0.020 . 2 . . . . 9 LYS HG3 . 15762 1 84 . 1 1 9 9 LYS C C 13 175.901 0.400 . 1 . . . . 9 LYS C . 15762 1 85 . 1 1 9 9 LYS CA C 13 56.045 0.400 . 1 . . . . 9 LYS CA . 15762 1 86 . 1 1 9 9 LYS CB C 13 32.855 0.400 . 1 . . . . 9 LYS CB . 15762 1 87 . 1 1 9 9 LYS CE C 13 41.780 0.400 . 1 . . . . 9 LYS CE . 15762 1 88 . 1 1 9 9 LYS CG C 13 24.460 0.400 . 1 . . . . 9 LYS CG . 15762 1 89 . 1 1 9 9 LYS N N 15 124.852 0.400 . 1 . . . . 9 LYS N . 15762 1 90 . 1 1 10 10 CYS H H 1 8.466 0.020 . 1 . . . . 10 CYS H . 15762 1 91 . 1 1 10 10 CYS HA H 1 4.503 0.020 . 1 . . . . 10 CYS HA . 15762 1 92 . 1 1 10 10 CYS HB2 H 1 2.989 0.020 . 2 . . . . 10 CYS HB2 . 15762 1 93 . 1 1 10 10 CYS HB3 H 1 2.965 0.020 . 2 . . . . 10 CYS HB3 . 15762 1 94 . 1 1 10 10 CYS C C 13 174.908 0.400 . 1 . . . . 10 CYS C . 15762 1 95 . 1 1 10 10 CYS CA C 13 58.872 0.400 . 1 . . . . 10 CYS CA . 15762 1 96 . 1 1 10 10 CYS CB C 13 27.722 0.400 . 1 . . . . 10 CYS CB . 15762 1 97 . 1 1 10 10 CYS N N 15 119.417 0.400 . 1 . . . . 10 CYS N . 15762 1 98 . 1 1 11 11 SER H H 1 8.397 0.020 . 1 . . . . 11 SER H . 15762 1 99 . 1 1 11 11 SER HA H 1 4.514 0.020 . 1 . . . . 11 SER HA . 15762 1 100 . 1 1 11 11 SER HB2 H 1 3.953 0.020 . 2 . . . . 11 SER HB2 . 15762 1 101 . 1 1 11 11 SER HB3 H 1 3.904 0.020 . 2 . . . . 11 SER HB3 . 15762 1 102 . 1 1 11 11 SER C C 13 174.929 0.400 . 1 . . . . 11 SER C . 15762 1 103 . 1 1 11 11 SER CA C 13 58.523 0.400 . 1 . . . . 11 SER CA . 15762 1 104 . 1 1 11 11 SER CB C 13 63.743 0.400 . 1 . . . . 11 SER CB . 15762 1 105 . 1 1 11 11 SER N N 15 117.982 0.400 . 1 . . . . 11 SER N . 15762 1 106 . 1 1 12 12 THR H H 1 8.201 0.020 . 1 . . . . 12 THR H . 15762 1 107 . 1 1 12 12 THR HA H 1 4.380 0.020 . 1 . . . . 12 THR HA . 15762 1 108 . 1 1 12 12 THR HB H 1 4.293 0.020 . 1 . . . . 12 THR HB . 15762 1 109 . 1 1 12 12 THR HG21 H 1 1.210 0.020 . 1 . . . . 12 THR HG2 . 15762 1 110 . 1 1 12 12 THR HG22 H 1 1.210 0.020 . 1 . . . . 12 THR HG2 . 15762 1 111 . 1 1 12 12 THR HG23 H 1 1.210 0.020 . 1 . . . . 12 THR HG2 . 15762 1 112 . 1 1 12 12 THR C C 13 174.605 0.400 . 1 . . . . 12 THR C . 15762 1 113 . 1 1 12 12 THR CA C 13 61.877 0.400 . 1 . . . . 12 THR CA . 15762 1 114 . 1 1 12 12 THR CB C 13 69.558 0.400 . 1 . . . . 12 THR CB . 15762 1 115 . 1 1 12 12 THR CG2 C 13 21.294 0.400 . 1 . . . . 12 THR CG2 . 15762 1 116 . 1 1 12 12 THR N N 15 115.629 0.400 . 1 . . . . 12 THR N . 15762 1 117 . 1 1 13 13 LYS H H 1 8.302 0.020 . 1 . . . . 13 LYS H . 15762 1 118 . 1 1 13 13 LYS HA H 1 4.336 0.020 . 1 . . . . 13 LYS HA . 15762 1 119 . 1 1 13 13 LYS HB2 H 1 1.873 0.020 . 2 . . . . 13 LYS HB2 . 15762 1 120 . 1 1 13 13 LYS HB3 H 1 1.798 0.020 . 2 . . . . 13 LYS HB3 . 15762 1 121 . 1 1 13 13 LYS HE2 H 1 2.930 0.020 . 2 . . . . 13 LYS HE2 . 15762 1 122 . 1 1 13 13 LYS HE3 H 1 2.930 0.020 . 2 . . . . 13 LYS HE3 . 15762 1 123 . 1 1 13 13 LYS HG2 H 1 1.460 0.020 . 2 . . . . 13 LYS HG2 . 15762 1 124 . 1 1 13 13 LYS HG3 H 1 1.441 0.020 . 2 . . . . 13 LYS HG3 . 15762 1 125 . 1 1 13 13 LYS C C 13 177.023 0.400 . 1 . . . . 13 LYS C . 15762 1 126 . 1 1 13 13 LYS CA C 13 56.515 0.400 . 1 . . . . 13 LYS CA . 15762 1 127 . 1 1 13 13 LYS CB C 13 32.884 0.400 . 1 . . . . 13 LYS CB . 15762 1 128 . 1 1 13 13 LYS CE C 13 41.780 0.400 . 1 . . . . 13 LYS CE . 15762 1 129 . 1 1 13 13 LYS CG C 13 24.910 0.400 . 1 . . . . 13 LYS CG . 15762 1 130 . 1 1 13 13 LYS N N 15 123.371 0.400 . 1 . . . . 13 LYS N . 15762 1 131 . 1 1 14 14 GLY H H 1 8.453 0.020 . 1 . . . . 14 GLY H . 15762 1 132 . 1 1 14 14 GLY HA2 H 1 4.000 0.020 . 2 . . . . 14 GLY HA2 . 15762 1 133 . 1 1 14 14 GLY HA3 H 1 3.973 0.020 . 2 . . . . 14 GLY HA3 . 15762 1 134 . 1 1 14 14 GLY C C 13 173.936 0.400 . 1 . . . . 14 GLY C . 15762 1 135 . 1 1 14 14 GLY CA C 13 45.204 0.400 . 1 . . . . 14 GLY CA . 15762 1 136 . 1 1 14 14 GLY N N 15 110.130 0.400 . 1 . . . . 14 GLY N . 15762 1 137 . 1 1 15 15 CYS H H 1 8.204 0.020 . 1 . . . . 15 CYS H . 15762 1 138 . 1 1 15 15 CYS HA H 1 4.793 0.020 . 1 . . . . 15 CYS HA . 15762 1 139 . 1 1 15 15 CYS HB2 H 1 2.920 0.020 . 2 . . . . 15 CYS HB2 . 15762 1 140 . 1 1 15 15 CYS HB3 H 1 2.947 0.020 . 2 . . . . 15 CYS HB3 . 15762 1 141 . 1 1 15 15 CYS CA C 13 57.430 0.400 . 1 . . . . 15 CYS CA . 15762 1 142 . 1 1 15 15 CYS CB C 13 28.108 0.400 . 1 . . . . 15 CYS CB . 15762 1 143 . 1 1 15 15 CYS N N 15 118.713 0.400 . 1 . . . . 15 CYS N . 15762 1 144 . 1 1 17 17 ILE H H 1 8.050 0.020 . 1 . . . . 17 ILE H . 15762 1 145 . 1 1 17 17 ILE HA H 1 4.169 0.020 . 1 . . . . 17 ILE HA . 15762 1 146 . 1 1 17 17 ILE HB H 1 1.840 0.020 . 1 . . . . 17 ILE HB . 15762 1 147 . 1 1 17 17 ILE HD11 H 1 0.895 0.020 . 1 . . . . 17 ILE HD1 . 15762 1 148 . 1 1 17 17 ILE HD12 H 1 0.895 0.020 . 1 . . . . 17 ILE HD1 . 15762 1 149 . 1 1 17 17 ILE HD13 H 1 0.895 0.020 . 1 . . . . 17 ILE HD1 . 15762 1 150 . 1 1 17 17 ILE HG12 H 1 1.459 0.020 . 2 . . . . 17 ILE HG12 . 15762 1 151 . 1 1 17 17 ILE HG13 H 1 1.166 0.020 . 2 . . . . 17 ILE HG13 . 15762 1 152 . 1 1 17 17 ILE HG21 H 1 0.875 0.020 . 1 . . . . 17 ILE HG2 . 15762 1 153 . 1 1 17 17 ILE HG22 H 1 0.875 0.020 . 1 . . . . 17 ILE HG2 . 15762 1 154 . 1 1 17 17 ILE HG23 H 1 0.875 0.020 . 1 . . . . 17 ILE HG2 . 15762 1 155 . 1 1 17 17 ILE C C 13 175.620 0.400 . 1 . . . . 17 ILE C . 15762 1 156 . 1 1 17 17 ILE CA C 13 60.919 0.400 . 1 . . . . 17 ILE CA . 15762 1 157 . 1 1 17 17 ILE CB C 13 38.944 0.400 . 1 . . . . 17 ILE CB . 15762 1 158 . 1 1 17 17 ILE CD1 C 13 13.410 0.400 . 1 . . . . 17 ILE CD1 . 15762 1 159 . 1 1 17 17 ILE CG1 C 13 27.650 0.400 . 1 . . . . 17 ILE CG1 . 15762 1 160 . 1 1 17 17 ILE CG2 C 13 17.360 0.400 . 1 . . . . 17 ILE CG2 . 15762 1 161 . 1 1 17 17 ILE N N 15 119.278 0.400 . 1 . . . . 17 ILE N . 15762 1 162 . 1 1 18 18 ASP H H 1 8.380 0.020 . 1 . . . . 18 ASP H . 15762 1 163 . 1 1 18 18 ASP HA H 1 4.659 0.020 . 1 . . . . 18 ASP HA . 15762 1 164 . 1 1 18 18 ASP HB2 H 1 2.729 0.020 . 2 . . . . 18 ASP HB2 . 15762 1 165 . 1 1 18 18 ASP HB3 H 1 2.606 0.020 . 2 . . . . 18 ASP HB3 . 15762 1 166 . 1 1 18 18 ASP C C 13 176.289 0.400 . 1 . . . . 18 ASP C . 15762 1 167 . 1 1 18 18 ASP CA C 13 53.883 0.400 . 1 . . . . 18 ASP CA . 15762 1 168 . 1 1 18 18 ASP CB C 13 41.197 0.400 . 1 . . . . 18 ASP CB . 15762 1 169 . 1 1 18 18 ASP N N 15 124.364 0.400 . 1 . . . . 18 ASP N . 15762 1 170 . 1 1 19 19 ILE H H 1 8.155 0.020 . 1 . . . . 19 ILE H . 15762 1 171 . 1 1 19 19 ILE HA H 1 4.194 0.020 . 1 . . . . 19 ILE HA . 15762 1 172 . 1 1 19 19 ILE HB H 1 1.939 0.020 . 1 . . . . 19 ILE HB . 15762 1 173 . 1 1 19 19 ILE HD11 H 1 0.855 0.020 . 1 . . . . 19 ILE HD1 . 15762 1 174 . 1 1 19 19 ILE HD12 H 1 0.855 0.020 . 1 . . . . 19 ILE HD1 . 15762 1 175 . 1 1 19 19 ILE HD13 H 1 0.855 0.020 . 1 . . . . 19 ILE HD1 . 15762 1 176 . 1 1 19 19 ILE HG12 H 1 1.465 0.020 . 2 . . . . 19 ILE HG12 . 15762 1 177 . 1 1 19 19 ILE HG13 H 1 1.215 0.020 . 2 . . . . 19 ILE HG13 . 15762 1 178 . 1 1 19 19 ILE HG21 H 1 0.929 0.020 . 1 . . . . 19 ILE HG2 . 15762 1 179 . 1 1 19 19 ILE HG22 H 1 0.929 0.020 . 1 . . . . 19 ILE HG2 . 15762 1 180 . 1 1 19 19 ILE HG23 H 1 0.929 0.020 . 1 . . . . 19 ILE HG2 . 15762 1 181 . 1 1 19 19 ILE C C 13 176.721 0.400 . 1 . . . . 19 ILE C . 15762 1 182 . 1 1 19 19 ILE CA C 13 61.570 0.400 . 1 . . . . 19 ILE CA . 15762 1 183 . 1 1 19 19 ILE CB C 13 38.565 0.400 . 1 . . . . 19 ILE CB . 15762 1 184 . 1 1 19 19 ILE CD1 C 13 13.014 0.400 . 1 . . . . 19 ILE CD1 . 15762 1 185 . 1 1 19 19 ILE CG1 C 13 27.131 0.400 . 1 . . . . 19 ILE CG1 . 15762 1 186 . 1 1 19 19 ILE CG2 C 13 17.360 0.400 . 1 . . . . 19 ILE CG2 . 15762 1 187 . 1 1 19 19 ILE N N 15 121.241 0.400 . 1 . . . . 19 ILE N . 15762 1 188 . 1 1 20 20 GLY H H 1 8.503 0.020 . 1 . . . . 20 GLY H . 15762 1 189 . 1 1 20 20 GLY HA2 H 1 4.000 0.020 . 2 . . . . 20 GLY HA2 . 15762 1 190 . 1 1 20 20 GLY HA3 H 1 3.969 0.020 . 2 . . . . 20 GLY HA3 . 15762 1 191 . 1 1 20 20 GLY C C 13 174.238 0.400 . 1 . . . . 20 GLY C . 15762 1 192 . 1 1 20 20 GLY CA C 13 45.439 0.400 . 1 . . . . 20 GLY CA . 15762 1 193 . 1 1 20 20 GLY N N 15 111.571 0.400 . 1 . . . . 20 GLY N . 15762 1 194 . 1 1 21 21 THR H H 1 7.978 0.020 . 1 . . . . 21 THR H . 15762 1 195 . 1 1 21 21 THR HA H 1 4.374 0.020 . 1 . . . . 21 THR HA . 15762 1 196 . 1 1 21 21 THR HB H 1 4.163 0.020 . 1 . . . . 21 THR HB . 15762 1 197 . 1 1 21 21 THR HG21 H 1 1.185 0.020 . 1 . . . . 21 THR HG2 . 15762 1 198 . 1 1 21 21 THR HG22 H 1 1.185 0.020 . 1 . . . . 21 THR HG2 . 15762 1 199 . 1 1 21 21 THR HG23 H 1 1.185 0.020 . 1 . . . . 21 THR HG2 . 15762 1 200 . 1 1 21 21 THR C C 13 174.389 0.400 . 1 . . . . 21 THR C . 15762 1 201 . 1 1 21 21 THR CA C 13 62.075 0.400 . 1 . . . . 21 THR CA . 15762 1 202 . 1 1 21 21 THR CB C 13 69.810 0.400 . 1 . . . . 21 THR CB . 15762 1 203 . 1 1 21 21 THR CG2 C 13 21.206 0.400 . 1 . . . . 21 THR CG2 . 15762 1 204 . 1 1 21 21 THR N N 15 114.418 0.400 . 1 . . . . 21 THR N . 15762 1 205 . 1 1 22 22 VAL H H 1 8.248 0.020 . 1 . . . . 22 VAL H . 15762 1 206 . 1 1 22 22 VAL HA H 1 4.150 0.020 . 1 . . . . 22 VAL HA . 15762 1 207 . 1 1 22 22 VAL HB H 1 2.066 0.020 . 1 . . . . 22 VAL HB . 15762 1 208 . 1 1 22 22 VAL HG11 H 1 0.943 0.020 . 2 . . . . 22 VAL HG1 . 15762 1 209 . 1 1 22 22 VAL HG12 H 1 0.943 0.020 . 2 . . . . 22 VAL HG1 . 15762 1 210 . 1 1 22 22 VAL HG13 H 1 0.943 0.020 . 2 . . . . 22 VAL HG1 . 15762 1 211 . 1 1 22 22 VAL HG21 H 1 0.929 0.020 . 2 . . . . 22 VAL HG2 . 15762 1 212 . 1 1 22 22 VAL HG22 H 1 0.929 0.020 . 2 . . . . 22 VAL HG2 . 15762 1 213 . 1 1 22 22 VAL HG23 H 1 0.929 0.020 . 2 . . . . 22 VAL HG2 . 15762 1 214 . 1 1 22 22 VAL C C 13 175.836 0.400 . 1 . . . . 22 VAL C . 15762 1 215 . 1 1 22 22 VAL CA C 13 62.379 0.400 . 1 . . . . 22 VAL CA . 15762 1 216 . 1 1 22 22 VAL CB C 13 32.651 0.400 . 1 . . . . 22 VAL CB . 15762 1 217 . 1 1 22 22 VAL CG1 C 13 20.499 0.400 . 1 . . . . 22 VAL CG1 . 15762 1 218 . 1 1 22 22 VAL CG2 C 13 20.714 0.400 . 1 . . . . 22 VAL CG2 . 15762 1 219 . 1 1 22 22 VAL N N 15 123.899 0.400 . 1 . . . . 22 VAL N . 15762 1 220 . 1 1 23 23 ILE H H 1 8.297 0.020 . 1 . . . . 23 ILE H . 15762 1 221 . 1 1 23 23 ILE HA H 1 4.610 0.020 . 1 . . . . 23 ILE HA . 15762 1 222 . 1 1 23 23 ILE HB H 1 1.865 0.020 . 1 . . . . 23 ILE HB . 15762 1 223 . 1 1 23 23 ILE HD11 H 1 0.700 0.020 . 1 . . . . 23 ILE HD1 . 15762 1 224 . 1 1 23 23 ILE HD12 H 1 0.700 0.020 . 1 . . . . 23 ILE HD1 . 15762 1 225 . 1 1 23 23 ILE HD13 H 1 0.700 0.020 . 1 . . . . 23 ILE HD1 . 15762 1 226 . 1 1 23 23 ILE HG12 H 1 1.472 0.020 . 2 . . . . 23 ILE HG12 . 15762 1 227 . 1 1 23 23 ILE HG13 H 1 1.457 0.020 . 2 . . . . 23 ILE HG13 . 15762 1 228 . 1 1 23 23 ILE HG21 H 1 0.897 0.020 . 1 . . . . 23 ILE HG2 . 15762 1 229 . 1 1 23 23 ILE HG22 H 1 0.897 0.020 . 1 . . . . 23 ILE HG2 . 15762 1 230 . 1 1 23 23 ILE HG23 H 1 0.897 0.020 . 1 . . . . 23 ILE HG2 . 15762 1 231 . 1 1 23 23 ILE C C 13 176.311 0.400 . 1 . . . . 23 ILE C . 15762 1 232 . 1 1 23 23 ILE CA C 13 54.077 0.400 . 1 . . . . 23 ILE CA . 15762 1 233 . 1 1 23 23 ILE CB C 13 41.290 0.400 . 1 . . . . 23 ILE CB . 15762 1 234 . 1 1 23 23 ILE CD1 C 13 13.410 0.400 . 1 . . . . 23 ILE CD1 . 15762 1 235 . 1 1 23 23 ILE CG1 C 13 27.650 0.400 . 1 . . . . 23 ILE CG1 . 15762 1 236 . 1 1 23 23 ILE CG2 C 13 17.360 0.400 . 1 . . . . 23 ILE CG2 . 15762 1 237 . 1 1 23 23 ILE N N 15 125.102 0.400 . 1 . . . . 23 ILE N . 15762 1 238 . 1 1 24 24 ASP H H 1 8.419 0.020 . 1 . . . . 24 ASP H . 15762 1 239 . 1 1 24 24 ASP HA H 1 4.312 0.020 . 1 . . . . 24 ASP HA . 15762 1 240 . 1 1 24 24 ASP HB2 H 1 2.747 0.020 . 2 . . . . 24 ASP HB2 . 15762 1 241 . 1 1 24 24 ASP HB3 H 1 2.616 0.020 . 2 . . . . 24 ASP HB3 . 15762 1 242 . 1 1 24 24 ASP C C 13 176.721 0.400 . 1 . . . . 24 ASP C . 15762 1 243 . 1 1 24 24 ASP CA C 13 56.502 0.400 . 1 . . . . 24 ASP CA . 15762 1 244 . 1 1 24 24 ASP CB C 13 41.169 0.400 . 1 . . . . 24 ASP CB . 15762 1 245 . 1 1 24 24 ASP N N 15 124.624 0.400 . 1 . . . . 24 ASP N . 15762 1 246 . 1 1 25 25 ASN H H 1 8.468 0.020 . 1 . . . . 25 ASN H . 15762 1 247 . 1 1 25 25 ASN HA H 1 4.639 0.020 . 1 . . . . 25 ASN HA . 15762 1 248 . 1 1 25 25 ASN HB2 H 1 2.882 0.020 . 2 . . . . 25 ASN HB2 . 15762 1 249 . 1 1 25 25 ASN HB3 H 1 2.785 0.020 . 2 . . . . 25 ASN HB3 . 15762 1 250 . 1 1 25 25 ASN HD21 H 1 7.647 0.020 . 2 . . . . 25 ASN HD21 . 15762 1 251 . 1 1 25 25 ASN HD22 H 1 6.904 0.020 . 2 . . . . 25 ASN HD22 . 15762 1 252 . 1 1 25 25 ASN C C 13 175.167 0.400 . 1 . . . . 25 ASN C . 15762 1 253 . 1 1 25 25 ASN CA C 13 53.420 0.400 . 1 . . . . 25 ASN CA . 15762 1 254 . 1 1 25 25 ASN CB C 13 39.023 0.400 . 1 . . . . 25 ASN CB . 15762 1 255 . 1 1 25 25 ASN N N 15 119.417 0.400 . 1 . . . . 25 ASN N . 15762 1 256 . 1 1 25 25 ASN ND2 N 15 112.788 0.400 . 1 . . . . 25 ASN ND2 . 15762 1 257 . 1 1 26 26 ASP H H 1 8.487 0.020 . 1 . . . . 26 ASP H . 15762 1 258 . 1 1 26 26 ASP HA H 1 4.657 0.020 . 1 . . . . 26 ASP HA . 15762 1 259 . 1 1 26 26 ASP HB2 H 1 2.766 0.020 . 2 . . . . 26 ASP HB2 . 15762 1 260 . 1 1 26 26 ASP HB3 H 1 2.720 0.020 . 2 . . . . 26 ASP HB3 . 15762 1 261 . 1 1 26 26 ASP C C 13 176.246 0.400 . 1 . . . . 26 ASP C . 15762 1 262 . 1 1 26 26 ASP CA C 13 54.701 0.400 . 1 . . . . 26 ASP CA . 15762 1 263 . 1 1 26 26 ASP CB C 13 41.055 0.400 . 1 . . . . 26 ASP CB . 15762 1 264 . 1 1 26 26 ASP N N 15 120.597 0.400 . 1 . . . . 26 ASP N . 15762 1 265 . 1 1 27 27 ASN H H 1 8.265 0.020 . 1 . . . . 27 ASN H . 15762 1 266 . 1 1 27 27 ASN HA H 1 4.705 0.020 . 1 . . . . 27 ASN HA . 15762 1 267 . 1 1 27 27 ASN HB2 H 1 2.904 0.020 . 2 . . . . 27 ASN HB2 . 15762 1 268 . 1 1 27 27 ASN HB3 H 1 2.891 0.020 . 2 . . . . 27 ASN HB3 . 15762 1 269 . 1 1 27 27 ASN HD21 H 1 7.697 0.020 . 1 . . . . 27 ASN HD21 . 15762 1 270 . 1 1 27 27 ASN HD22 H 1 7.014 0.020 . 1 . . . . 27 ASN HD22 . 15762 1 271 . 1 1 27 27 ASN C C 13 174.972 0.400 . 1 . . . . 27 ASN C . 15762 1 272 . 1 1 27 27 ASN CA C 13 54.093 0.400 . 1 . . . . 27 ASN CA . 15762 1 273 . 1 1 27 27 ASN CB C 13 38.611 0.400 . 1 . . . . 27 ASN CB . 15762 1 274 . 1 1 27 27 ASN N N 15 118.312 0.400 . 1 . . . . 27 ASN N . 15762 1 275 . 1 1 27 27 ASN ND2 N 15 113.261 0.400 . 1 . . . . 27 ASN ND2 . 15762 1 276 . 1 1 28 28 CYS H H 1 8.366 0.020 . 1 . . . . 28 CYS H . 15762 1 277 . 1 1 28 28 CYS HA H 1 4.803 0.020 . 1 . . . . 28 CYS HA . 15762 1 278 . 1 1 28 28 CYS HB2 H 1 3.161 0.020 . 2 . . . . 28 CYS HB2 . 15762 1 279 . 1 1 28 28 CYS HB3 H 1 2.933 0.020 . 2 . . . . 28 CYS HB3 . 15762 1 280 . 1 1 28 28 CYS C C 13 173.806 0.400 . 1 . . . . 28 CYS C . 15762 1 281 . 1 1 28 28 CYS CA C 13 58.788 0.400 . 1 . . . . 28 CYS CA . 15762 1 282 . 1 1 28 28 CYS CB C 13 28.863 0.400 . 1 . . . . 28 CYS CB . 15762 1 283 . 1 1 28 28 CYS N N 15 117.180 0.400 . 1 . . . . 28 CYS N . 15762 1 284 . 1 1 29 29 THR H H 1 7.958 0.020 . 1 . . . . 29 THR H . 15762 1 285 . 1 1 29 29 THR HA H 1 5.573 0.020 . 1 . . . . 29 THR HA . 15762 1 286 . 1 1 29 29 THR HB H 1 4.003 0.020 . 1 . . . . 29 THR HB . 15762 1 287 . 1 1 29 29 THR HG21 H 1 1.079 0.020 . 1 . . . . 29 THR HG2 . 15762 1 288 . 1 1 29 29 THR HG22 H 1 1.079 0.020 . 1 . . . . 29 THR HG2 . 15762 1 289 . 1 1 29 29 THR HG23 H 1 1.079 0.020 . 1 . . . . 29 THR HG2 . 15762 1 290 . 1 1 29 29 THR C C 13 173.590 0.400 . 1 . . . . 29 THR C . 15762 1 291 . 1 1 29 29 THR CA C 13 61.661 0.400 . 1 . . . . 29 THR CA . 15762 1 292 . 1 1 29 29 THR CB C 13 71.065 0.400 . 1 . . . . 29 THR CB . 15762 1 293 . 1 1 29 29 THR CG2 C 13 21.042 0.400 . 1 . . . . 29 THR CG2 . 15762 1 294 . 1 1 29 29 THR N N 15 117.567 0.400 . 1 . . . . 29 THR N . 15762 1 295 . 1 1 30 30 SER H H 1 9.569 0.020 . 1 . . . . 30 SER H . 15762 1 296 . 1 1 30 30 SER HA H 1 4.941 0.020 . 1 . . . . 30 SER HA . 15762 1 297 . 1 1 30 30 SER HB2 H 1 4.234 0.020 . 1 . . . . 30 SER HB2 . 15762 1 298 . 1 1 30 30 SER HB3 H 1 4.117 0.020 . 1 . . . . 30 SER HB3 . 15762 1 299 . 1 1 30 30 SER C C 13 174.325 0.400 . 1 . . . . 30 SER C . 15762 1 300 . 1 1 30 30 SER CA C 13 57.813 0.400 . 1 . . . . 30 SER CA . 15762 1 301 . 1 1 30 30 SER CB C 13 65.394 0.400 . 1 . . . . 30 SER CB . 15762 1 302 . 1 1 30 30 SER N N 15 124.142 0.400 . 1 . . . . 30 SER N . 15762 1 303 . 1 1 31 31 LYS H H 1 9.003 0.020 . 1 . . . . 31 LYS H . 15762 1 304 . 1 1 31 31 LYS HA H 1 5.444 0.020 . 1 . . . . 31 LYS HA . 15762 1 305 . 1 1 31 31 LYS HB2 H 1 1.791 0.020 . 2 . . . . 31 LYS HB2 . 15762 1 306 . 1 1 31 31 LYS HB3 H 1 1.962 0.020 . 2 . . . . 31 LYS HB3 . 15762 1 307 . 1 1 31 31 LYS HD2 H 1 1.727 0.020 . 2 . . . . 31 LYS HD2 . 15762 1 308 . 1 1 31 31 LYS HD3 H 1 1.714 0.020 . 2 . . . . 31 LYS HD3 . 15762 1 309 . 1 1 31 31 LYS HE2 H 1 2.929 0.020 . 2 . . . . 31 LYS HE2 . 15762 1 310 . 1 1 31 31 LYS HE3 H 1 2.948 0.020 . 2 . . . . 31 LYS HE3 . 15762 1 311 . 1 1 31 31 LYS HG2 H 1 1.534 0.020 . 2 . . . . 31 LYS HG2 . 15762 1 312 . 1 1 31 31 LYS HG3 H 1 1.405 0.020 . 2 . . . . 31 LYS HG3 . 15762 1 313 . 1 1 31 31 LYS C C 13 175.706 0.400 . 1 . . . . 31 LYS C . 15762 1 314 . 1 1 31 31 LYS CA C 13 55.375 0.400 . 1 . . . . 31 LYS CA . 15762 1 315 . 1 1 31 31 LYS CB C 13 34.726 0.400 . 1 . . . . 31 LYS CB . 15762 1 316 . 1 1 31 31 LYS CD C 13 28.780 0.400 . 1 . . . . 31 LYS CD . 15762 1 317 . 1 1 31 31 LYS CE C 13 41.780 0.400 . 1 . . . . 31 LYS CE . 15762 1 318 . 1 1 31 31 LYS CG C 13 25.289 0.400 . 1 . . . . 31 LYS CG . 15762 1 319 . 1 1 31 31 LYS N N 15 127.147 0.400 . 1 . . . . 31 LYS N . 15762 1 320 . 1 1 32 32 PHE H H 1 9.097 0.020 . 1 . . . . 32 PHE H . 15762 1 321 . 1 1 32 32 PHE HA H 1 5.011 0.020 . 1 . . . . 32 PHE HA . 15762 1 322 . 1 1 32 32 PHE HB2 H 1 3.244 0.020 . 2 . . . . 32 PHE HB2 . 15762 1 323 . 1 1 32 32 PHE HB3 H 1 3.124 0.020 . 2 . . . . 32 PHE HB3 . 15762 1 324 . 1 1 32 32 PHE HD1 H 1 7.227 0.020 . 1 . . . . 32 PHE HD1 . 15762 1 325 . 1 1 32 32 PHE HD2 H 1 7.227 0.020 . 1 . . . . 32 PHE HD2 . 15762 1 326 . 1 1 32 32 PHE HE1 H 1 7.097 0.020 . 1 . . . . 32 PHE HE1 . 15762 1 327 . 1 1 32 32 PHE HE2 H 1 7.097 0.020 . 1 . . . . 32 PHE HE2 . 15762 1 328 . 1 1 32 32 PHE HZ H 1 7.312 0.020 . 1 . . . . 32 PHE HZ . 15762 1 329 . 1 1 32 32 PHE C C 13 173.353 0.400 . 1 . . . . 32 PHE C . 15762 1 330 . 1 1 32 32 PHE CA C 13 57.346 0.400 . 1 . . . . 32 PHE CA . 15762 1 331 . 1 1 32 32 PHE CB C 13 43.442 0.400 . 1 . . . . 32 PHE CB . 15762 1 332 . 1 1 32 32 PHE CD1 C 13 131.380 0.400 . 1 . . . . 32 PHE CD1 . 15762 1 333 . 1 1 32 32 PHE CE1 C 13 130.763 0.400 . 1 . . . . 32 PHE CE1 . 15762 1 334 . 1 1 32 32 PHE CZ C 13 130.950 0.400 . 1 . . . . 32 PHE CZ . 15762 1 335 . 1 1 32 32 PHE N N 15 122.836 0.400 . 1 . . . . 32 PHE N . 15762 1 336 . 1 1 33 33 SER H H 1 7.987 0.020 . 1 . . . . 33 SER H . 15762 1 337 . 1 1 33 33 SER HA H 1 5.728 0.020 . 1 . . . . 33 SER HA . 15762 1 338 . 1 1 33 33 SER HB2 H 1 3.662 0.020 . 2 . . . . 33 SER HB2 . 15762 1 339 . 1 1 33 33 SER HB3 H 1 3.651 0.020 . 2 . . . . 33 SER HB3 . 15762 1 340 . 1 1 33 33 SER C C 13 173.388 0.400 . 1 . . . . 33 SER C . 15762 1 341 . 1 1 33 33 SER CA C 13 56.255 0.400 . 1 . . . . 33 SER CA . 15762 1 342 . 1 1 33 33 SER CB C 13 65.451 0.400 . 1 . . . . 33 SER CB . 15762 1 343 . 1 1 33 33 SER N N 15 120.375 0.400 . 1 . . . . 33 SER N . 15762 1 344 . 1 1 34 34 ARG H H 1 8.460 0.020 . 1 . . . . 34 ARG H . 15762 1 345 . 1 1 34 34 ARG HA H 1 4.201 0.020 . 1 . . . . 34 ARG HA . 15762 1 346 . 1 1 34 34 ARG HB2 H 1 1.648 0.020 . 2 . . . . 34 ARG HB2 . 15762 1 347 . 1 1 34 34 ARG HB3 H 1 1.377 0.020 . 2 . . . . 34 ARG HB3 . 15762 1 348 . 1 1 34 34 ARG HD2 H 1 2.793 0.020 . 2 . . . . 34 ARG HD2 . 15762 1 349 . 1 1 34 34 ARG HD3 H 1 2.657 0.020 . 2 . . . . 34 ARG HD3 . 15762 1 350 . 1 1 34 34 ARG HG2 H 1 1.223 0.020 . 2 . . . . 34 ARG HG2 . 15762 1 351 . 1 1 34 34 ARG HG3 H 1 1.113 0.020 . 2 . . . . 34 ARG HG3 . 15762 1 352 . 1 1 34 34 ARG C C 13 173.115 0.400 . 1 . . . . 34 ARG C . 15762 1 353 . 1 1 34 34 ARG CA C 13 55.219 0.400 . 1 . . . . 34 ARG CA . 15762 1 354 . 1 1 34 34 ARG CB C 13 34.648 0.400 . 1 . . . . 34 ARG CB . 15762 1 355 . 1 1 34 34 ARG CD C 13 43.100 0.400 . 1 . . . . 34 ARG CD . 15762 1 356 . 1 1 34 34 ARG CG C 13 26.428 0.400 . 1 . . . . 34 ARG CG . 15762 1 357 . 1 1 34 34 ARG N N 15 122.781 0.400 . 1 . . . . 34 ARG N . 15762 1 358 . 1 1 35 35 PHE H H 1 8.177 0.020 . 1 . . . . 35 PHE H . 15762 1 359 . 1 1 35 35 PHE HA H 1 5.584 0.020 . 1 . . . . 35 PHE HA . 15762 1 360 . 1 1 35 35 PHE HB2 H 1 2.720 0.020 . 2 . . . . 35 PHE HB2 . 15762 1 361 . 1 1 35 35 PHE HB3 H 1 3.043 0.020 . 2 . . . . 35 PHE HB3 . 15762 1 362 . 1 1 35 35 PHE HD1 H 1 7.105 0.020 . 1 . . . . 35 PHE HD1 . 15762 1 363 . 1 1 35 35 PHE HD2 H 1 7.105 0.020 . 1 . . . . 35 PHE HD2 . 15762 1 364 . 1 1 35 35 PHE HE1 H 1 7.237 0.020 . 1 . . . . 35 PHE HE1 . 15762 1 365 . 1 1 35 35 PHE HE2 H 1 7.237 0.020 . 1 . . . . 35 PHE HE2 . 15762 1 366 . 1 1 35 35 PHE HZ H 1 7.217 0.020 . 1 . . . . 35 PHE HZ . 15762 1 367 . 1 1 35 35 PHE C C 13 175.383 0.400 . 1 . . . . 35 PHE C . 15762 1 368 . 1 1 35 35 PHE CA C 13 56.724 0.400 . 1 . . . . 35 PHE CA . 15762 1 369 . 1 1 35 35 PHE CB C 13 40.381 0.400 . 1 . . . . 35 PHE CB . 15762 1 370 . 1 1 35 35 PHE CD1 C 13 131.085 0.400 . 1 . . . . 35 PHE CD1 . 15762 1 371 . 1 1 35 35 PHE CE1 C 13 131.691 0.400 . 1 . . . . 35 PHE CE1 . 15762 1 372 . 1 1 35 35 PHE CZ C 13 129.110 0.400 . 1 . . . . 35 PHE CZ . 15762 1 373 . 1 1 35 35 PHE N N 15 121.785 0.400 . 1 . . . . 35 PHE N . 15762 1 374 . 1 1 36 36 PHE H H 1 9.074 0.020 . 1 . . . . 36 PHE H . 15762 1 375 . 1 1 36 36 PHE HA H 1 4.795 0.020 . 1 . . . . 36 PHE HA . 15762 1 376 . 1 1 36 36 PHE HB2 H 1 2.542 0.020 . 2 . . . . 36 PHE HB2 . 15762 1 377 . 1 1 36 36 PHE HB3 H 1 3.341 0.020 . 2 . . . . 36 PHE HB3 . 15762 1 378 . 1 1 36 36 PHE HD1 H 1 7.173 0.020 . 1 . . . . 36 PHE HD1 . 15762 1 379 . 1 1 36 36 PHE HD2 H 1 7.173 0.020 . 1 . . . . 36 PHE HD2 . 15762 1 380 . 1 1 36 36 PHE HE1 H 1 7.003 0.020 . 1 . . . . 36 PHE HE1 . 15762 1 381 . 1 1 36 36 PHE HE2 H 1 7.003 0.020 . 1 . . . . 36 PHE HE2 . 15762 1 382 . 1 1 36 36 PHE HZ H 1 6.097 0.020 . 1 . . . . 36 PHE HZ . 15762 1 383 . 1 1 36 36 PHE C C 13 174.778 0.400 . 1 . . . . 36 PHE C . 15762 1 384 . 1 1 36 36 PHE CA C 13 56.506 0.400 . 1 . . . . 36 PHE CA . 15762 1 385 . 1 1 36 36 PHE CB C 13 44.442 0.400 . 1 . . . . 36 PHE CB . 15762 1 386 . 1 1 36 36 PHE CD1 C 13 131.695 0.400 . 1 . . . . 36 PHE CD1 . 15762 1 387 . 1 1 36 36 PHE CE1 C 13 130.301 0.400 . 1 . . . . 36 PHE CE1 . 15762 1 388 . 1 1 36 36 PHE CZ C 13 127.803 0.400 . 1 . . . . 36 PHE CZ . 15762 1 389 . 1 1 36 36 PHE N N 15 117.196 0.400 . 1 . . . . 36 PHE N . 15762 1 390 . 1 1 37 37 ALA H H 1 9.250 0.020 . 1 . . . . 37 ALA H . 15762 1 391 . 1 1 37 37 ALA HA H 1 4.456 0.020 . 1 . . . . 37 ALA HA . 15762 1 392 . 1 1 37 37 ALA HB1 H 1 1.710 0.020 . 1 . . . . 37 ALA HB . 15762 1 393 . 1 1 37 37 ALA HB2 H 1 1.710 0.020 . 1 . . . . 37 ALA HB . 15762 1 394 . 1 1 37 37 ALA HB3 H 1 1.710 0.020 . 1 . . . . 37 ALA HB . 15762 1 395 . 1 1 37 37 ALA C C 13 178.664 0.400 . 1 . . . . 37 ALA C . 15762 1 396 . 1 1 37 37 ALA CA C 13 55.219 0.400 . 1 . . . . 37 ALA CA . 15762 1 397 . 1 1 37 37 ALA CB C 13 19.421 0.400 . 1 . . . . 37 ALA CB . 15762 1 398 . 1 1 37 37 ALA N N 15 121.954 0.400 . 1 . . . . 37 ALA N . 15762 1 399 . 1 1 38 38 THR H H 1 7.133 0.020 . 1 . . . . 38 THR H . 15762 1 400 . 1 1 38 38 THR HA H 1 4.802 0.020 . 1 . . . . 38 THR HA . 15762 1 401 . 1 1 38 38 THR HB H 1 4.676 0.020 . 1 . . . . 38 THR HB . 15762 1 402 . 1 1 38 38 THR HG21 H 1 1.268 0.020 . 1 . . . . 38 THR HG2 . 15762 1 403 . 1 1 38 38 THR HG22 H 1 1.268 0.020 . 1 . . . . 38 THR HG2 . 15762 1 404 . 1 1 38 38 THR HG23 H 1 1.268 0.020 . 1 . . . . 38 THR HG2 . 15762 1 405 . 1 1 38 38 THR C C 13 174.411 0.400 . 1 . . . . 38 THR C . 15762 1 406 . 1 1 38 38 THR CA C 13 58.348 0.400 . 1 . . . . 38 THR CA . 15762 1 407 . 1 1 38 38 THR CB C 13 73.865 0.400 . 1 . . . . 38 THR CB . 15762 1 408 . 1 1 38 38 THR CG2 C 13 21.291 0.400 . 1 . . . . 38 THR CG2 . 15762 1 409 . 1 1 38 38 THR N N 15 100.389 0.400 . 1 . . . . 38 THR N . 15762 1 410 . 1 1 39 39 ARG H H 1 9.324 0.020 . 1 . . . . 39 ARG H . 15762 1 411 . 1 1 39 39 ARG HA H 1 3.824 0.020 . 1 . . . . 39 ARG HA . 15762 1 412 . 1 1 39 39 ARG HB2 H 1 1.959 0.020 . 2 . . . . 39 ARG HB2 . 15762 1 413 . 1 1 39 39 ARG HB3 H 1 1.892 0.020 . 2 . . . . 39 ARG HB3 . 15762 1 414 . 1 1 39 39 ARG HD2 H 1 3.333 0.020 . 2 . . . . 39 ARG HD2 . 15762 1 415 . 1 1 39 39 ARG HD3 H 1 3.321 0.020 . 2 . . . . 39 ARG HD3 . 15762 1 416 . 1 1 39 39 ARG HE H 1 7.887 0.020 . 1 . . . . 39 ARG HE . 15762 1 417 . 1 1 39 39 ARG HG2 H 1 1.657 0.020 . 2 . . . . 39 ARG HG2 . 15762 1 418 . 1 1 39 39 ARG HG3 H 1 1.625 0.020 . 2 . . . . 39 ARG HG3 . 15762 1 419 . 1 1 39 39 ARG C C 13 177.434 0.400 . 1 . . . . 39 ARG C . 15762 1 420 . 1 1 39 39 ARG CA C 13 59.940 0.400 . 1 . . . . 39 ARG CA . 15762 1 421 . 1 1 39 39 ARG CB C 13 30.213 0.400 . 1 . . . . 39 ARG CB . 15762 1 422 . 1 1 39 39 ARG CD C 13 42.907 0.400 . 1 . . . . 39 ARG CD . 15762 1 423 . 1 1 39 39 ARG CG C 13 28.476 0.400 . 1 . . . . 39 ARG CG . 15762 1 424 . 1 1 39 39 ARG N N 15 122.865 0.400 . 1 . . . . 39 ARG N . 15762 1 425 . 1 1 39 39 ARG NE N 15 84.11 0.400 . 1 . . . . 39 ARG NE . 15762 1 426 . 1 1 40 40 GLU H H 1 9.055 0.020 . 1 . . . . 40 GLU H . 15762 1 427 . 1 1 40 40 GLU HA H 1 3.974 0.020 . 1 . . . . 40 GLU HA . 15762 1 428 . 1 1 40 40 GLU HB2 H 1 2.117 0.020 . 1 . . . . 40 GLU HB2 . 15762 1 429 . 1 1 40 40 GLU HB3 H 1 1.952 0.020 . 1 . . . . 40 GLU HB3 . 15762 1 430 . 1 1 40 40 GLU HG2 H 1 2.457 0.020 . 2 . . . . 40 GLU HG2 . 15762 1 431 . 1 1 40 40 GLU HG3 H 1 2.294 0.020 . 2 . . . . 40 GLU HG3 . 15762 1 432 . 1 1 40 40 GLU C C 13 179.571 0.400 . 1 . . . . 40 GLU C . 15762 1 433 . 1 1 40 40 GLU CA C 13 60.459 0.400 . 1 . . . . 40 GLU CA . 15762 1 434 . 1 1 40 40 GLU CB C 13 28.552 0.400 . 1 . . . . 40 GLU CB . 15762 1 435 . 1 1 40 40 GLU CG C 13 36.880 0.400 . 1 . . . . 40 GLU CG . 15762 1 436 . 1 1 40 40 GLU N N 15 118.491 0.400 . 1 . . . . 40 GLU N . 15762 1 437 . 1 1 41 41 GLU H H 1 7.811 0.020 . 1 . . . . 41 GLU H . 15762 1 438 . 1 1 41 41 GLU HA H 1 3.995 0.020 . 1 . . . . 41 GLU HA . 15762 1 439 . 1 1 41 41 GLU HB2 H 1 2.234 0.020 . 2 . . . . 41 GLU HB2 . 15762 1 440 . 1 1 41 41 GLU HB3 H 1 2.208 0.020 . 2 . . . . 41 GLU HB3 . 15762 1 441 . 1 1 41 41 GLU HG2 H 1 2.454 0.020 . 2 . . . . 41 GLU HG2 . 15762 1 442 . 1 1 41 41 GLU HG3 H 1 2.363 0.020 . 2 . . . . 41 GLU HG3 . 15762 1 443 . 1 1 41 41 GLU C C 13 178.859 0.400 . 1 . . . . 41 GLU C . 15762 1 444 . 1 1 41 41 GLU CA C 13 59.110 0.400 . 1 . . . . 41 GLU CA . 15762 1 445 . 1 1 41 41 GLU CB C 13 30.463 0.400 . 1 . . . . 41 GLU CB . 15762 1 446 . 1 1 41 41 GLU CG C 13 37.177 0.400 . 1 . . . . 41 GLU CG . 15762 1 447 . 1 1 41 41 GLU N N 15 119.891 0.400 . 1 . . . . 41 GLU N . 15762 1 448 . 1 1 42 42 ALA H H 1 7.337 0.020 . 1 . . . . 42 ALA H . 15762 1 449 . 1 1 42 42 ALA HA H 1 2.533 0.020 . 1 . . . . 42 ALA HA . 15762 1 450 . 1 1 42 42 ALA HB1 H 1 1.226 0.020 . 1 . . . . 42 ALA HB . 15762 1 451 . 1 1 42 42 ALA HB2 H 1 1.226 0.020 . 1 . . . . 42 ALA HB . 15762 1 452 . 1 1 42 42 ALA HB3 H 1 1.226 0.020 . 1 . . . . 42 ALA HB . 15762 1 453 . 1 1 42 42 ALA C C 13 178.729 0.400 . 1 . . . . 42 ALA C . 15762 1 454 . 1 1 42 42 ALA CA C 13 54.233 0.400 . 1 . . . . 42 ALA CA . 15762 1 455 . 1 1 42 42 ALA CB C 13 19.109 0.400 . 1 . . . . 42 ALA CB . 15762 1 456 . 1 1 42 42 ALA N N 15 122.745 0.400 . 1 . . . . 42 ALA N . 15762 1 457 . 1 1 43 43 GLU H H 1 8.597 0.020 . 1 . . . . 43 GLU H . 15762 1 458 . 1 1 43 43 GLU HA H 1 4.007 0.020 . 1 . . . . 43 GLU HA . 15762 1 459 . 1 1 43 43 GLU HB2 H 1 2.018 0.020 . 2 . . . . 43 GLU HB2 . 15762 1 460 . 1 1 43 43 GLU HB3 H 1 1.992 0.020 . 2 . . . . 43 GLU HB3 . 15762 1 461 . 1 1 43 43 GLU HG2 H 1 2.338 0.020 . 2 . . . . 43 GLU HG2 . 15762 1 462 . 1 1 43 43 GLU HG3 H 1 2.286 0.020 . 2 . . . . 43 GLU HG3 . 15762 1 463 . 1 1 43 43 GLU C C 13 179.874 0.400 . 1 . . . . 43 GLU C . 15762 1 464 . 1 1 43 43 GLU CA C 13 58.799 0.400 . 1 . . . . 43 GLU CA . 15762 1 465 . 1 1 43 43 GLU CB C 13 29.087 0.400 . 1 . . . . 43 GLU CB . 15762 1 466 . 1 1 43 43 GLU CG C 13 35.196 0.400 . 1 . . . . 43 GLU CG . 15762 1 467 . 1 1 43 43 GLU N N 15 117.502 0.400 . 1 . . . . 43 GLU N . 15762 1 468 . 1 1 44 44 SER H H 1 8.108 0.020 . 1 . . . . 44 SER H . 15762 1 469 . 1 1 44 44 SER HA H 1 4.220 0.020 . 1 . . . . 44 SER HA . 15762 1 470 . 1 1 44 44 SER HB2 H 1 4.012 0.020 . 2 . . . . 44 SER HB2 . 15762 1 471 . 1 1 44 44 SER HB3 H 1 3.946 0.020 . 2 . . . . 44 SER HB3 . 15762 1 472 . 1 1 44 44 SER C C 13 177.175 0.400 . 1 . . . . 44 SER C . 15762 1 473 . 1 1 44 44 SER CA C 13 61.445 0.400 . 1 . . . . 44 SER CA . 15762 1 474 . 1 1 44 44 SER CB C 13 62.464 0.400 . 1 . . . . 44 SER CB . 15762 1 475 . 1 1 44 44 SER N N 15 115.611 0.400 . 1 . . . . 44 SER N . 15762 1 476 . 1 1 45 45 PHE H H 1 7.942 0.020 . 1 . . . . 45 PHE H . 15762 1 477 . 1 1 45 45 PHE HA H 1 4.114 0.020 . 1 . . . . 45 PHE HA . 15762 1 478 . 1 1 45 45 PHE HB2 H 1 3.017 0.020 . 2 . . . . 45 PHE HB2 . 15762 1 479 . 1 1 45 45 PHE HB3 H 1 2.778 0.020 . 2 . . . . 45 PHE HB3 . 15762 1 480 . 1 1 45 45 PHE HD1 H 1 7.179 0.020 . 1 . . . . 45 PHE HD1 . 15762 1 481 . 1 1 45 45 PHE HD2 H 1 7.179 0.020 . 1 . . . . 45 PHE HD2 . 15762 1 482 . 1 1 45 45 PHE HE1 H 1 7.151 0.020 . 1 . . . . 45 PHE HE1 . 15762 1 483 . 1 1 45 45 PHE HE2 H 1 7.151 0.020 . 1 . . . . 45 PHE HE2 . 15762 1 484 . 1 1 45 45 PHE C C 13 177.606 0.400 . 1 . . . . 45 PHE C . 15762 1 485 . 1 1 45 45 PHE CA C 13 61.601 0.400 . 1 . . . . 45 PHE CA . 15762 1 486 . 1 1 45 45 PHE CB C 13 40.118 0.400 . 1 . . . . 45 PHE CB . 15762 1 487 . 1 1 45 45 PHE CD1 C 13 131.638 0.400 . 1 . . . . 45 PHE CD1 . 15762 1 488 . 1 1 45 45 PHE CE1 C 13 130.480 0.400 . 1 . . . . 45 PHE CE1 . 15762 1 489 . 1 1 45 45 PHE N N 15 124.364 0.400 . 1 . . . . 45 PHE N . 15762 1 490 . 1 1 46 46 MET H H 1 8.299 0.020 . 1 . . . . 46 MET H . 15762 1 491 . 1 1 46 46 MET HA H 1 4.416 0.020 . 1 . . . . 46 MET HA . 15762 1 492 . 1 1 46 46 MET HB2 H 1 1.896 0.020 . 2 . . . . 46 MET HB2 . 15762 1 493 . 1 1 46 46 MET HB3 H 1 1.865 0.020 . 2 . . . . 46 MET HB3 . 15762 1 494 . 1 1 46 46 MET HE1 H 1 1.407 0.020 . 1 . . . . 46 MET HE . 15762 1 495 . 1 1 46 46 MET HE2 H 1 1.407 0.020 . 1 . . . . 46 MET HE . 15762 1 496 . 1 1 46 46 MET HE3 H 1 1.407 0.020 . 1 . . . . 46 MET HE . 15762 1 497 . 1 1 46 46 MET HG2 H 1 1.755 0.020 . 2 . . . . 46 MET HG2 . 15762 1 498 . 1 1 46 46 MET HG3 H 1 1.670 0.020 . 2 . . . . 46 MET HG3 . 15762 1 499 . 1 1 46 46 MET C C 13 178.470 0.400 . 1 . . . . 46 MET C . 15762 1 500 . 1 1 46 46 MET CA C 13 56.153 0.400 . 1 . . . . 46 MET CA . 15762 1 501 . 1 1 46 46 MET CB C 13 29.590 0.400 . 1 . . . . 46 MET CB . 15762 1 502 . 1 1 46 46 MET CE C 13 17.170 0.400 . 1 . . . . 46 MET CE . 15762 1 503 . 1 1 46 46 MET CG C 13 31.753 0.400 . 1 . . . . 46 MET CG . 15762 1 504 . 1 1 46 46 MET N N 15 117.643 0.400 . 1 . . . . 46 MET N . 15762 1 505 . 1 1 47 47 THR H H 1 8.197 0.020 . 1 . . . . 47 THR H . 15762 1 506 . 1 1 47 47 THR HA H 1 3.762 0.020 . 1 . . . . 47 THR HA . 15762 1 507 . 1 1 47 47 THR HB H 1 4.359 0.020 . 1 . . . . 47 THR HB . 15762 1 508 . 1 1 47 47 THR HG21 H 1 1.242 0.020 . 1 . . . . 47 THR HG2 . 15762 1 509 . 1 1 47 47 THR HG22 H 1 1.242 0.020 . 1 . . . . 47 THR HG2 . 15762 1 510 . 1 1 47 47 THR HG23 H 1 1.242 0.020 . 1 . . . . 47 THR HG2 . 15762 1 511 . 1 1 47 47 THR C C 13 176.311 0.400 . 1 . . . . 47 THR C . 15762 1 512 . 1 1 47 47 THR CA C 13 67.356 0.400 . 1 . . . . 47 THR CA . 15762 1 513 . 1 1 47 47 THR CB C 13 68.367 0.400 . 1 . . . . 47 THR CB . 15762 1 514 . 1 1 47 47 THR CG2 C 13 21.440 0.400 . 1 . . . . 47 THR CG2 . 15762 1 515 . 1 1 47 47 THR N N 15 117.050 0.400 . 1 . . . . 47 THR N . 15762 1 516 . 1 1 48 48 LYS H H 1 7.179 0.020 . 1 . . . . 48 LYS H . 15762 1 517 . 1 1 48 48 LYS HA H 1 4.091 0.020 . 1 . . . . 48 LYS HA . 15762 1 518 . 1 1 48 48 LYS HB2 H 1 1.753 0.020 . 2 . . . . 48 LYS HB2 . 15762 1 519 . 1 1 48 48 LYS HB3 H 1 1.703 0.020 . 2 . . . . 48 LYS HB3 . 15762 1 520 . 1 1 48 48 LYS HD2 H 1 1.586 0.020 . 2 . . . . 48 LYS HD2 . 15762 1 521 . 1 1 48 48 LYS HD3 H 1 1.598 0.020 . 2 . . . . 48 LYS HD3 . 15762 1 522 . 1 1 48 48 LYS HE2 H 1 2.877 0.020 . 2 . . . . 48 LYS HE2 . 15762 1 523 . 1 1 48 48 LYS HE3 H 1 2.821 0.020 . 2 . . . . 48 LYS HE3 . 15762 1 524 . 1 1 48 48 LYS HG2 H 1 1.350 0.020 . 2 . . . . 48 LYS HG2 . 15762 1 525 . 1 1 48 48 LYS HG3 H 1 1.337 0.020 . 2 . . . . 48 LYS HG3 . 15762 1 526 . 1 1 48 48 LYS C C 13 179.139 0.400 . 1 . . . . 48 LYS C . 15762 1 527 . 1 1 48 48 LYS CA C 13 58.384 0.400 . 1 . . . . 48 LYS CA . 15762 1 528 . 1 1 48 48 LYS CB C 13 30.809 0.400 . 1 . . . . 48 LYS CB . 15762 1 529 . 1 1 48 48 LYS CD C 13 28.245 0.400 . 1 . . . . 48 LYS CD . 15762 1 530 . 1 1 48 48 LYS CE C 13 41.780 0.400 . 1 . . . . 48 LYS CE . 15762 1 531 . 1 1 48 48 LYS CG C 13 24.241 0.400 . 1 . . . . 48 LYS CG . 15762 1 532 . 1 1 48 48 LYS N N 15 121.757 0.400 . 1 . . . . 48 LYS N . 15762 1 533 . 1 1 49 49 LEU H H 1 8.140 0.020 . 1 . . . . 49 LEU H . 15762 1 534 . 1 1 49 49 LEU HA H 1 3.792 0.020 . 1 . . . . 49 LEU HA . 15762 1 535 . 1 1 49 49 LEU HB2 H 1 2.145 0.020 . 1 . . . . 49 LEU HB2 . 15762 1 536 . 1 1 49 49 LEU HB3 H 1 1.414 0.020 . 1 . . . . 49 LEU HB3 . 15762 1 537 . 1 1 49 49 LEU HD11 H 1 0.625 0.020 . 1 . . . . 49 LEU HD1 . 15762 1 538 . 1 1 49 49 LEU HD12 H 1 0.625 0.020 . 1 . . . . 49 LEU HD1 . 15762 1 539 . 1 1 49 49 LEU HD13 H 1 0.625 0.020 . 1 . . . . 49 LEU HD1 . 15762 1 540 . 1 1 49 49 LEU HD21 H 1 0.261 0.020 . 1 . . . . 49 LEU HD2 . 15762 1 541 . 1 1 49 49 LEU HD22 H 1 0.261 0.020 . 1 . . . . 49 LEU HD2 . 15762 1 542 . 1 1 49 49 LEU HD23 H 1 0.261 0.020 . 1 . . . . 49 LEU HD2 . 15762 1 543 . 1 1 49 49 LEU HG H 1 1.332 0.020 . 1 . . . . 49 LEU HG . 15762 1 544 . 1 1 49 49 LEU C C 13 179.593 0.400 . 1 . . . . 49 LEU C . 15762 1 545 . 1 1 49 49 LEU CA C 13 58.073 0.400 . 1 . . . . 49 LEU CA . 15762 1 546 . 1 1 49 49 LEU CB C 13 41.471 0.400 . 1 . . . . 49 LEU CB . 15762 1 547 . 1 1 49 49 LEU CD1 C 13 25.443 0.400 . 1 . . . . 49 LEU CD1 . 15762 1 548 . 1 1 49 49 LEU CD2 C 13 23.285 0.400 . 1 . . . . 49 LEU CD2 . 15762 1 549 . 1 1 49 49 LEU CG C 13 25.878 0.400 . 1 . . . . 49 LEU CG . 15762 1 550 . 1 1 49 49 LEU N N 15 119.215 0.400 . 1 . . . . 49 LEU N . 15762 1 551 . 1 1 50 50 LYS H H 1 8.790 0.020 . 1 . . . . 50 LYS H . 15762 1 552 . 1 1 50 50 LYS HA H 1 3.948 0.020 . 1 . . . . 50 LYS HA . 15762 1 553 . 1 1 50 50 LYS HB2 H 1 2.044 0.020 . 2 . . . . 50 LYS HB2 . 15762 1 554 . 1 1 50 50 LYS HB3 H 1 1.993 0.020 . 2 . . . . 50 LYS HB3 . 15762 1 555 . 1 1 50 50 LYS HD2 H 1 1.760 0.020 . 2 . . . . 50 LYS HD2 . 15762 1 556 . 1 1 50 50 LYS HD3 H 1 1.741 0.020 . 2 . . . . 50 LYS HD3 . 15762 1 557 . 1 1 50 50 LYS HE2 H 1 2.893 0.020 . 2 . . . . 50 LYS HE2 . 15762 1 558 . 1 1 50 50 LYS HE3 H 1 2.904 0.020 . 2 . . . . 50 LYS HE3 . 15762 1 559 . 1 1 50 50 LYS HG2 H 1 1.407 0.020 . 2 . . . . 50 LYS HG2 . 15762 1 560 . 1 1 50 50 LYS HG3 H 1 1.392 0.020 . 2 . . . . 50 LYS HG3 . 15762 1 561 . 1 1 50 50 LYS C C 13 179.701 0.400 . 1 . . . . 50 LYS C . 15762 1 562 . 1 1 50 50 LYS CA C 13 60.718 0.400 . 1 . . . . 50 LYS CA . 15762 1 563 . 1 1 50 50 LYS CB C 13 32.418 0.400 . 1 . . . . 50 LYS CB . 15762 1 564 . 1 1 50 50 LYS CD C 13 26.964 0.400 . 1 . . . . 50 LYS CD . 15762 1 565 . 1 1 50 50 LYS CE C 13 41.780 0.400 . 1 . . . . 50 LYS CE . 15762 1 566 . 1 1 50 50 LYS CG C 13 27.130 0.400 . 1 . . . . 50 LYS CG . 15762 1 567 . 1 1 50 50 LYS N N 15 118.564 0.400 . 1 . . . . 50 LYS N . 15762 1 568 . 1 1 51 51 GLU H H 1 7.655 0.020 . 1 . . . . 51 GLU H . 15762 1 569 . 1 1 51 51 GLU HA H 1 4.140 0.020 . 1 . . . . 51 GLU HA . 15762 1 570 . 1 1 51 51 GLU HB2 H 1 2.296 0.020 . 2 . . . . 51 GLU HB2 . 15762 1 571 . 1 1 51 51 GLU HB3 H 1 2.161 0.020 . 2 . . . . 51 GLU HB3 . 15762 1 572 . 1 1 51 51 GLU HG2 H 1 2.533 0.020 . 2 . . . . 51 GLU HG2 . 15762 1 573 . 1 1 51 51 GLU HG3 H 1 2.220 0.020 . 2 . . . . 51 GLU HG3 . 15762 1 574 . 1 1 51 51 GLU C C 13 179.982 0.400 . 1 . . . . 51 GLU C . 15762 1 575 . 1 1 51 51 GLU CA C 13 59.318 0.400 . 1 . . . . 51 GLU CA . 15762 1 576 . 1 1 51 51 GLU CB C 13 29.123 0.400 . 1 . . . . 51 GLU CB . 15762 1 577 . 1 1 51 51 GLU CG C 13 36.010 0.400 . 1 . . . . 51 GLU CG . 15762 1 578 . 1 1 51 51 GLU N N 15 120.362 0.400 . 1 . . . . 51 GLU N . 15762 1 579 . 1 1 52 52 LEU H H 1 8.028 0.020 . 1 . . . . 52 LEU H . 15762 1 580 . 1 1 52 52 LEU HA H 1 4.188 0.020 . 1 . . . . 52 LEU HA . 15762 1 581 . 1 1 52 52 LEU HB2 H 1 1.998 0.020 . 1 . . . . 52 LEU HB2 . 15762 1 582 . 1 1 52 52 LEU HB3 H 1 1.508 0.020 . 1 . . . . 52 LEU HB3 . 15762 1 583 . 1 1 52 52 LEU HD11 H 1 0.754 0.020 . 1 . . . . 52 LEU HD1 . 15762 1 584 . 1 1 52 52 LEU HD12 H 1 0.754 0.020 . 1 . . . . 52 LEU HD1 . 15762 1 585 . 1 1 52 52 LEU HD13 H 1 0.754 0.020 . 1 . . . . 52 LEU HD1 . 15762 1 586 . 1 1 52 52 LEU HD21 H 1 0.626 0.020 . 1 . . . . 52 LEU HD2 . 15762 1 587 . 1 1 52 52 LEU HD22 H 1 0.626 0.020 . 1 . . . . 52 LEU HD2 . 15762 1 588 . 1 1 52 52 LEU HD23 H 1 0.626 0.020 . 1 . . . . 52 LEU HD2 . 15762 1 589 . 1 1 52 52 LEU HG H 1 1.807 0.020 . 1 . . . . 52 LEU HG . 15762 1 590 . 1 1 52 52 LEU C C 13 180.521 0.400 . 1 . . . . 52 LEU C . 15762 1 591 . 1 1 52 52 LEU CA C 13 57.553 0.400 . 1 . . . . 52 LEU CA . 15762 1 592 . 1 1 52 52 LEU CB C 13 41.081 0.400 . 1 . . . . 52 LEU CB . 15762 1 593 . 1 1 52 52 LEU CD1 C 13 24.730 0.400 . 1 . . . . 52 LEU CD1 . 15762 1 594 . 1 1 52 52 LEU CD2 C 13 25.073 0.400 . 1 . . . . 52 LEU CD2 . 15762 1 595 . 1 1 52 52 LEU CG C 13 26.770 0.400 . 1 . . . . 52 LEU CG . 15762 1 596 . 1 1 52 52 LEU N N 15 120.836 0.400 . 1 . . . . 52 LEU N . 15762 1 597 . 1 1 53 53 ALA H H 1 8.992 0.020 . 1 . . . . 53 ALA H . 15762 1 598 . 1 1 53 53 ALA HA H 1 4.078 0.020 . 1 . . . . 53 ALA HA . 15762 1 599 . 1 1 53 53 ALA HB1 H 1 1.201 0.020 . 1 . . . . 53 ALA HB . 15762 1 600 . 1 1 53 53 ALA HB2 H 1 1.201 0.020 . 1 . . . . 53 ALA HB . 15762 1 601 . 1 1 53 53 ALA HB3 H 1 1.201 0.020 . 1 . . . . 53 ALA HB . 15762 1 602 . 1 1 53 53 ALA C C 13 179.247 0.400 . 1 . . . . 53 ALA C . 15762 1 603 . 1 1 53 53 ALA CA C 13 55.375 0.400 . 1 . . . . 53 ALA CA . 15762 1 604 . 1 1 53 53 ALA CB C 13 17.397 0.400 . 1 . . . . 53 ALA CB . 15762 1 605 . 1 1 53 53 ALA N N 15 124.337 0.400 . 1 . . . . 53 ALA N . 15762 1 606 . 1 1 54 54 ALA H H 1 8.063 0.020 . 1 . . . . 54 ALA H . 15762 1 607 . 1 1 54 54 ALA HA H 1 4.198 0.020 . 1 . . . . 54 ALA HA . 15762 1 608 . 1 1 54 54 ALA HB1 H 1 1.555 0.020 . 1 . . . . 54 ALA HB . 15762 1 609 . 1 1 54 54 ALA HB2 H 1 1.555 0.020 . 1 . . . . 54 ALA HB . 15762 1 610 . 1 1 54 54 ALA HB3 H 1 1.555 0.020 . 1 . . . . 54 ALA HB . 15762 1 611 . 1 1 54 54 ALA C C 13 180.111 0.400 . 1 . . . . 54 ALA C . 15762 1 612 . 1 1 54 54 ALA CA C 13 54.545 0.400 . 1 . . . . 54 ALA CA . 15762 1 613 . 1 1 54 54 ALA CB C 13 17.760 0.400 . 1 . . . . 54 ALA CB . 15762 1 614 . 1 1 54 54 ALA N N 15 120.790 0.400 . 1 . . . . 54 ALA N . 15762 1 615 . 1 1 55 55 ALA H H 1 7.771 0.020 . 1 . . . . 55 ALA H . 15762 1 616 . 1 1 55 55 ALA HA H 1 4.225 0.020 . 1 . . . . 55 ALA HA . 15762 1 617 . 1 1 55 55 ALA HB1 H 1 1.524 0.020 . 1 . . . . 55 ALA HB . 15762 1 618 . 1 1 55 55 ALA HB2 H 1 1.524 0.020 . 1 . . . . 55 ALA HB . 15762 1 619 . 1 1 55 55 ALA HB3 H 1 1.524 0.020 . 1 . . . . 55 ALA HB . 15762 1 620 . 1 1 55 55 ALA C C 13 179.118 0.400 . 1 . . . . 55 ALA C . 15762 1 621 . 1 1 55 55 ALA CA C 13 53.870 0.400 . 1 . . . . 55 ALA CA . 15762 1 622 . 1 1 55 55 ALA CB C 13 18.123 0.400 . 1 . . . . 55 ALA CB . 15762 1 623 . 1 1 55 55 ALA N N 15 118.944 0.400 . 1 . . . . 55 ALA N . 15762 1 624 . 1 1 56 56 ALA H H 1 7.530 0.020 . 1 . . . . 56 ALA H . 15762 1 625 . 1 1 56 56 ALA HA H 1 4.163 0.020 . 1 . . . . 56 ALA HA . 15762 1 626 . 1 1 56 56 ALA HB1 H 1 1.603 0.020 . 1 . . . . 56 ALA HB . 15762 1 627 . 1 1 56 56 ALA HB2 H 1 1.603 0.020 . 1 . . . . 56 ALA HB . 15762 1 628 . 1 1 56 56 ALA HB3 H 1 1.603 0.020 . 1 . . . . 56 ALA HB . 15762 1 629 . 1 1 56 56 ALA C C 13 177.175 0.400 . 1 . . . . 56 ALA C . 15762 1 630 . 1 1 56 56 ALA CA C 13 53.403 0.400 . 1 . . . . 56 ALA CA . 15762 1 631 . 1 1 56 56 ALA CB C 13 19.369 0.400 . 1 . . . . 56 ALA CB . 15762 1 632 . 1 1 56 56 ALA N N 15 119.021 0.400 . 1 . . . . 56 ALA N . 15762 1 633 . 1 1 57 57 SER H H 1 7.481 0.020 . 1 . . . . 57 SER H . 15762 1 634 . 1 1 57 57 SER HA H 1 4.670 0.020 . 1 . . . . 57 SER HA . 15762 1 635 . 1 1 57 57 SER HB2 H 1 4.124 0.020 . 2 . . . . 57 SER HB2 . 15762 1 636 . 1 1 57 57 SER HB3 H 1 4.015 0.020 . 2 . . . . 57 SER HB3 . 15762 1 637 . 1 1 57 57 SER C C 13 174.778 0.400 . 1 . . . . 57 SER C . 15762 1 638 . 1 1 57 57 SER CA C 13 57.761 0.400 . 1 . . . . 57 SER CA . 15762 1 639 . 1 1 57 57 SER CB C 13 64.791 0.400 . 1 . . . . 57 SER CB . 15762 1 640 . 1 1 57 57 SER N N 15 109.994 0.400 . 1 . . . . 57 SER N . 15762 1 641 . 1 1 58 58 SER H H 1 8.852 0.020 . 1 . . . . 58 SER H . 15762 1 642 . 1 1 58 58 SER HA H 1 4.505 0.020 . 1 . . . . 58 SER HA . 15762 1 643 . 1 1 58 58 SER HB2 H 1 3.957 0.020 . 2 . . . . 58 SER HB2 . 15762 1 644 . 1 1 58 58 SER HB3 H 1 4.018 0.020 . 2 . . . . 58 SER HB3 . 15762 1 645 . 1 1 58 58 SER C C 13 174.864 0.400 . 1 . . . . 58 SER C . 15762 1 646 . 1 1 58 58 SER CA C 13 58.851 0.400 . 1 . . . . 58 SER CA . 15762 1 647 . 1 1 58 58 SER CB C 13 63.754 0.400 . 1 . . . . 58 SER CB . 15762 1 648 . 1 1 58 58 SER N N 15 120.025 0.400 . 1 . . . . 58 SER N . 15762 1 649 . 1 1 59 59 ALA H H 1 8.399 0.020 . 1 . . . . 59 ALA H . 15762 1 650 . 1 1 59 59 ALA HA H 1 4.418 0.020 . 1 . . . . 59 ALA HA . 15762 1 651 . 1 1 59 59 ALA HB1 H 1 1.492 0.020 . 1 . . . . 59 ALA HB . 15762 1 652 . 1 1 59 59 ALA HB2 H 1 1.492 0.020 . 1 . . . . 59 ALA HB . 15762 1 653 . 1 1 59 59 ALA HB3 H 1 1.492 0.020 . 1 . . . . 59 ALA HB . 15762 1 654 . 1 1 59 59 ALA C C 13 178.233 0.400 . 1 . . . . 59 ALA C . 15762 1 655 . 1 1 59 59 ALA CA C 13 52.262 0.400 . 1 . . . . 59 ALA CA . 15762 1 656 . 1 1 59 59 ALA CB C 13 19.213 0.400 . 1 . . . . 59 ALA CB . 15762 1 657 . 1 1 59 59 ALA N N 15 125.532 0.400 . 1 . . . . 59 ALA N . 15762 1 658 . 1 1 60 60 ASP H H 1 8.579 0.020 . 1 . . . . 60 ASP H . 15762 1 659 . 1 1 60 60 ASP HA H 1 4.460 0.020 . 1 . . . . 60 ASP HA . 15762 1 660 . 1 1 60 60 ASP HB2 H 1 2.770 0.020 . 2 . . . . 60 ASP HB2 . 15762 1 661 . 1 1 60 60 ASP HB3 H 1 2.688 0.020 . 2 . . . . 60 ASP HB3 . 15762 1 662 . 1 1 60 60 ASP C C 13 177.023 0.400 . 1 . . . . 60 ASP C . 15762 1 663 . 1 1 60 60 ASP CA C 13 55.842 0.400 . 1 . . . . 60 ASP CA . 15762 1 664 . 1 1 60 60 ASP CB C 13 40.667 0.400 . 1 . . . . 60 ASP CB . 15762 1 665 . 1 1 60 60 ASP N N 15 120.961 0.400 . 1 . . . . 60 ASP N . 15762 1 666 . 1 1 61 61 GLU H H 1 8.496 0.020 . 1 . . . . 61 GLU H . 15762 1 667 . 1 1 61 61 GLU HA H 1 4.308 0.020 . 1 . . . . 61 GLU HA . 15762 1 668 . 1 1 61 61 GLU HB2 H 1 2.120 0.020 . 2 . . . . 61 GLU HB2 . 15762 1 669 . 1 1 61 61 GLU HB3 H 1 1.982 0.020 . 2 . . . . 61 GLU HB3 . 15762 1 670 . 1 1 61 61 GLU HG2 H 1 2.312 0.020 . 2 . . . . 61 GLU HG2 . 15762 1 671 . 1 1 61 61 GLU HG3 H 1 2.292 0.020 . 2 . . . . 61 GLU HG3 . 15762 1 672 . 1 1 61 61 GLU C C 13 176.592 0.400 . 1 . . . . 61 GLU C . 15762 1 673 . 1 1 61 61 GLU CA C 13 56.724 0.400 . 1 . . . . 61 GLU CA . 15762 1 674 . 1 1 61 61 GLU CB C 13 29.382 0.400 . 1 . . . . 61 GLU CB . 15762 1 675 . 1 1 61 61 GLU CG C 13 36.010 0.400 . 1 . . . . 61 GLU CG . 15762 1 676 . 1 1 61 61 GLU N N 15 118.491 0.400 . 1 . . . . 61 GLU N . 15762 1 677 . 1 1 62 62 GLY H H 1 7.966 0.020 . 1 . . . . 62 GLY H . 15762 1 678 . 1 1 62 62 GLY HA2 H 1 4.001 0.020 . 2 . . . . 62 GLY HA2 . 15762 1 679 . 1 1 62 62 GLY HA3 H 1 3.978 0.020 . 2 . . . . 62 GLY HA3 . 15762 1 680 . 1 1 62 62 GLY C C 13 173.245 0.400 . 1 . . . . 62 GLY C . 15762 1 681 . 1 1 62 62 GLY CA C 13 44.999 0.400 . 1 . . . . 62 GLY CA . 15762 1 682 . 1 1 62 62 GLY N N 15 108.112 0.400 . 1 . . . . 62 GLY N . 15762 1 683 . 1 1 63 63 ALA H H 1 7.953 0.020 . 1 . . . . 63 ALA H . 15762 1 684 . 1 1 63 63 ALA HA H 1 4.335 0.020 . 1 . . . . 63 ALA HA . 15762 1 685 . 1 1 63 63 ALA HB1 H 1 0.819 0.020 . 1 . . . . 63 ALA HB . 15762 1 686 . 1 1 63 63 ALA HB2 H 1 0.819 0.020 . 1 . . . . 63 ALA HB . 15762 1 687 . 1 1 63 63 ALA HB3 H 1 0.819 0.020 . 1 . . . . 63 ALA HB . 15762 1 688 . 1 1 63 63 ALA C C 13 177.347 0.400 . 1 . . . . 63 ALA C . 15762 1 689 . 1 1 63 63 ALA CA C 13 51.173 0.400 . 1 . . . . 63 ALA CA . 15762 1 690 . 1 1 63 63 ALA CB C 13 19.421 0.400 . 1 . . . . 63 ALA CB . 15762 1 691 . 1 1 63 63 ALA N N 15 122.645 0.400 . 1 . . . . 63 ALA N . 15762 1 692 . 1 1 64 64 SER H H 1 8.213 0.020 . 1 . . . . 64 SER H . 15762 1 693 . 1 1 64 64 SER HA H 1 4.631 0.020 . 1 . . . . 64 SER HA . 15762 1 694 . 1 1 64 64 SER HB2 H 1 3.718 0.020 . 2 . . . . 64 SER HB2 . 15762 1 695 . 1 1 64 64 SER HB3 H 1 3.704 0.020 . 2 . . . . 64 SER HB3 . 15762 1 696 . 1 1 64 64 SER C C 13 173.482 0.400 . 1 . . . . 64 SER C . 15762 1 697 . 1 1 64 64 SER CA C 13 57.398 0.400 . 1 . . . . 64 SER CA . 15762 1 698 . 1 1 64 64 SER CB C 13 63.910 0.400 . 1 . . . . 64 SER CB . 15762 1 699 . 1 1 64 64 SER N N 15 115.629 0.400 . 1 . . . . 64 SER N . 15762 1 700 . 1 1 65 65 VAL H H 1 8.541 0.020 . 1 . . . . 65 VAL H . 15762 1 701 . 1 1 65 65 VAL HA H 1 4.452 0.020 . 1 . . . . 65 VAL HA . 15762 1 702 . 1 1 65 65 VAL HB H 1 1.773 0.020 . 1 . . . . 65 VAL HB . 15762 1 703 . 1 1 65 65 VAL HG11 H 1 0.618 0.020 . 1 . . . . 65 VAL HG1 . 15762 1 704 . 1 1 65 65 VAL HG12 H 1 0.618 0.020 . 1 . . . . 65 VAL HG1 . 15762 1 705 . 1 1 65 65 VAL HG13 H 1 0.618 0.020 . 1 . . . . 65 VAL HG1 . 15762 1 706 . 1 1 65 65 VAL HG21 H 1 0.475 0.020 . 1 . . . . 65 VAL HG2 . 15762 1 707 . 1 1 65 65 VAL HG22 H 1 0.475 0.020 . 1 . . . . 65 VAL HG2 . 15762 1 708 . 1 1 65 65 VAL HG23 H 1 0.475 0.020 . 1 . . . . 65 VAL HG2 . 15762 1 709 . 1 1 65 65 VAL C C 13 174.001 0.400 . 1 . . . . 65 VAL C . 15762 1 710 . 1 1 65 65 VAL CA C 13 60.771 0.400 . 1 . . . . 65 VAL CA . 15762 1 711 . 1 1 65 65 VAL CB C 13 34.208 0.400 . 1 . . . . 65 VAL CB . 15762 1 712 . 1 1 65 65 VAL CG1 C 13 21.078 0.400 . 1 . . . . 65 VAL CG1 . 15762 1 713 . 1 1 65 65 VAL CG2 C 13 20.960 0.400 . 1 . . . . 65 VAL CG2 . 15762 1 714 . 1 1 65 65 VAL N N 15 125.224 0.400 . 1 . . . . 65 VAL N . 15762 1 715 . 1 1 66 66 ALA H H 1 8.416 0.020 . 1 . . . . 66 ALA H . 15762 1 716 . 1 1 66 66 ALA HA H 1 4.803 0.020 . 1 . . . . 66 ALA HA . 15762 1 717 . 1 1 66 66 ALA HB1 H 1 1.278 0.020 . 1 . . . . 66 ALA HB . 15762 1 718 . 1 1 66 66 ALA HB2 H 1 1.278 0.020 . 1 . . . . 66 ALA HB . 15762 1 719 . 1 1 66 66 ALA HB3 H 1 1.278 0.020 . 1 . . . . 66 ALA HB . 15762 1 720 . 1 1 66 66 ALA C C 13 175.512 0.400 . 1 . . . . 66 ALA C . 15762 1 721 . 1 1 66 66 ALA CA C 13 50.654 0.400 . 1 . . . . 66 ALA CA . 15762 1 722 . 1 1 66 66 ALA CB C 13 21.859 0.400 . 1 . . . . 66 ALA CB . 15762 1 723 . 1 1 66 66 ALA N N 15 130.508 0.400 . 1 . . . . 66 ALA N . 15762 1 724 . 1 1 67 67 TYR H H 1 8.737 0.020 . 1 . . . . 67 TYR H . 15762 1 725 . 1 1 67 67 TYR HA H 1 5.585 0.020 . 1 . . . . 67 TYR HA . 15762 1 726 . 1 1 67 67 TYR HB2 H 1 2.926 0.020 . 2 . . . . 67 TYR HB2 . 15762 1 727 . 1 1 67 67 TYR HB3 H 1 2.913 0.020 . 2 . . . . 67 TYR HB3 . 15762 1 728 . 1 1 67 67 TYR HD1 H 1 6.725 0.020 . 1 . . . . 67 TYR HD1 . 15762 1 729 . 1 1 67 67 TYR HD2 H 1 6.725 0.020 . 1 . . . . 67 TYR HD2 . 15762 1 730 . 1 1 67 67 TYR HE1 H 1 6.765 0.020 . 1 . . . . 67 TYR HE1 . 15762 1 731 . 1 1 67 67 TYR HE2 H 1 6.765 0.020 . 1 . . . . 67 TYR HE2 . 15762 1 732 . 1 1 67 67 TYR C C 13 172.748 0.400 . 1 . . . . 67 TYR C . 15762 1 733 . 1 1 67 67 TYR CA C 13 56.412 0.400 . 1 . . . . 67 TYR CA . 15762 1 734 . 1 1 67 67 TYR CB C 13 41.497 0.400 . 1 . . . . 67 TYR CB . 15762 1 735 . 1 1 67 67 TYR CD1 C 13 132.860 0.400 . 1 . . . . 67 TYR CD1 . 15762 1 736 . 1 1 67 67 TYR CE1 C 13 117.810 0.400 . 1 . . . . 67 TYR CE1 . 15762 1 737 . 1 1 67 67 TYR N N 15 118.467 0.400 . 1 . . . . 67 TYR N . 15762 1 738 . 1 1 68 68 LYS H H 1 8.939 0.020 . 1 . . . . 68 LYS H . 15762 1 739 . 1 1 68 68 LYS HA H 1 4.420 0.020 . 1 . . . . 68 LYS HA . 15762 1 740 . 1 1 68 68 LYS HB2 H 1 1.789 0.020 . 2 . . . . 68 LYS HB2 . 15762 1 741 . 1 1 68 68 LYS HB3 H 1 1.724 0.020 . 2 . . . . 68 LYS HB3 . 15762 1 742 . 1 1 68 68 LYS HD2 H 1 1.671 0.020 . 2 . . . . 68 LYS HD2 . 15762 1 743 . 1 1 68 68 LYS HD3 H 1 1.674 0.020 . 2 . . . . 68 LYS HD3 . 15762 1 744 . 1 1 68 68 LYS HE2 H 1 2.931 0.020 . 2 . . . . 68 LYS HE2 . 15762 1 745 . 1 1 68 68 LYS HE3 H 1 2.930 0.020 . 2 . . . . 68 LYS HE3 . 15762 1 746 . 1 1 68 68 LYS HG2 H 1 1.388 0.020 . 2 . . . . 68 LYS HG2 . 15762 1 747 . 1 1 68 68 LYS HG3 H 1 1.370 0.020 . 2 . . . . 68 LYS HG3 . 15762 1 748 . 1 1 68 68 LYS C C 13 174.411 0.400 . 1 . . . . 68 LYS C . 15762 1 749 . 1 1 68 68 LYS CA C 13 54.804 0.400 . 1 . . . . 68 LYS CA . 15762 1 750 . 1 1 68 68 LYS CB C 13 36.672 0.400 . 1 . . . . 68 LYS CB . 15762 1 751 . 1 1 68 68 LYS CD C 13 29.046 0.400 . 1 . . . . 68 LYS CD . 15762 1 752 . 1 1 68 68 LYS CE C 13 41.780 0.400 . 1 . . . . 68 LYS CE . 15762 1 753 . 1 1 68 68 LYS CG C 13 24.399 0.400 . 1 . . . . 68 LYS CG . 15762 1 754 . 1 1 68 68 LYS N N 15 119.373 0.400 . 1 . . . . 68 LYS N . 15762 1 755 . 1 1 69 69 ILE H H 1 8.662 0.020 . 1 . . . . 69 ILE H . 15762 1 756 . 1 1 69 69 ILE HA H 1 5.086 0.020 . 1 . . . . 69 ILE HA . 15762 1 757 . 1 1 69 69 ILE HB H 1 1.738 0.020 . 1 . . . . 69 ILE HB . 15762 1 758 . 1 1 69 69 ILE HD11 H 1 1.001 0.020 . 1 . . . . 69 ILE HD1 . 15762 1 759 . 1 1 69 69 ILE HD12 H 1 1.001 0.020 . 1 . . . . 69 ILE HD1 . 15762 1 760 . 1 1 69 69 ILE HD13 H 1 1.001 0.020 . 1 . . . . 69 ILE HD1 . 15762 1 761 . 1 1 69 69 ILE HG12 H 1 0.993 0.020 . 2 . . . . 69 ILE HG12 . 15762 1 762 . 1 1 69 69 ILE HG13 H 1 0.899 0.020 . 2 . . . . 69 ILE HG13 . 15762 1 763 . 1 1 69 69 ILE HG21 H 1 0.737 0.020 . 1 . . . . 69 ILE HG2 . 15762 1 764 . 1 1 69 69 ILE HG22 H 1 0.737 0.020 . 1 . . . . 69 ILE HG2 . 15762 1 765 . 1 1 69 69 ILE HG23 H 1 0.737 0.020 . 1 . . . . 69 ILE HG2 . 15762 1 766 . 1 1 69 69 ILE C C 13 175.383 0.400 . 1 . . . . 69 ILE C . 15762 1 767 . 1 1 69 69 ILE CA C 13 60.148 0.400 . 1 . . . . 69 ILE CA . 15762 1 768 . 1 1 69 69 ILE CB C 13 39.240 0.400 . 1 . . . . 69 ILE CB . 15762 1 769 . 1 1 69 69 ILE CD1 C 13 14.433 0.400 . 1 . . . . 69 ILE CD1 . 15762 1 770 . 1 1 69 69 ILE CG1 C 13 29.439 0.400 . 1 . . . . 69 ILE CG1 . 15762 1 771 . 1 1 69 69 ILE CG2 C 13 17.875 0.400 . 1 . . . . 69 ILE CG2 . 15762 1 772 . 1 1 69 69 ILE N N 15 122.860 0.400 . 1 . . . . 69 ILE N . 15762 1 773 . 1 1 70 70 LYS H H 1 9.293 0.020 . 1 . . . . 70 LYS H . 15762 1 774 . 1 1 70 70 LYS HA H 1 4.654 0.020 . 1 . . . . 70 LYS HA . 15762 1 775 . 1 1 70 70 LYS HB2 H 1 1.880 0.020 . 2 . . . . 70 LYS HB2 . 15762 1 776 . 1 1 70 70 LYS HB3 H 1 1.779 0.020 . 2 . . . . 70 LYS HB3 . 15762 1 777 . 1 1 70 70 LYS HD2 H 1 1.610 0.020 . 2 . . . . 70 LYS HD2 . 15762 1 778 . 1 1 70 70 LYS HD3 H 1 1.610 0.020 . 2 . . . . 70 LYS HD3 . 15762 1 779 . 1 1 70 70 LYS HE2 H 1 2.930 0.020 . 2 . . . . 70 LYS HE2 . 15762 1 780 . 1 1 70 70 LYS HE3 H 1 2.930 0.020 . 2 . . . . 70 LYS HE3 . 15762 1 781 . 1 1 70 70 LYS HG2 H 1 1.422 0.020 . 2 . . . . 70 LYS HG2 . 15762 1 782 . 1 1 70 70 LYS HG3 H 1 1.397 0.020 . 2 . . . . 70 LYS HG3 . 15762 1 783 . 1 1 70 70 LYS C C 13 175.339 0.400 . 1 . . . . 70 LYS C . 15762 1 784 . 1 1 70 70 LYS CA C 13 54.441 0.400 . 1 . . . . 70 LYS CA . 15762 1 785 . 1 1 70 70 LYS CB C 13 35.089 0.400 . 1 . . . . 70 LYS CB . 15762 1 786 . 1 1 70 70 LYS CD C 13 28.780 0.400 . 1 . . . . 70 LYS CD . 15762 1 787 . 1 1 70 70 LYS CE C 13 41.780 0.400 . 1 . . . . 70 LYS CE . 15762 1 788 . 1 1 70 70 LYS CG C 13 24.910 0.400 . 1 . . . . 70 LYS CG . 15762 1 789 . 1 1 70 70 LYS N N 15 128.941 0.400 . 1 . . . . 70 LYS N . 15762 1 790 . 1 1 71 71 ASP H H 1 8.762 0.020 . 1 . . . . 71 ASP H . 15762 1 791 . 1 1 71 71 ASP HA H 1 4.796 0.020 . 1 . . . . 71 ASP HA . 15762 1 792 . 1 1 71 71 ASP HB2 H 1 2.733 0.020 . 2 . . . . 71 ASP HB2 . 15762 1 793 . 1 1 71 71 ASP HB3 H 1 2.641 0.020 . 2 . . . . 71 ASP HB3 . 15762 1 794 . 1 1 71 71 ASP C C 13 175.318 0.400 . 1 . . . . 71 ASP C . 15762 1 795 . 1 1 71 71 ASP CA C 13 55.582 0.400 . 1 . . . . 71 ASP CA . 15762 1 796 . 1 1 71 71 ASP CB C 13 41.549 0.400 . 1 . . . . 71 ASP CB . 15762 1 797 . 1 1 71 71 ASP N N 15 124.578 0.400 . 1 . . . . 71 ASP N . 15762 1 798 . 1 1 72 72 LEU H H 1 8.332 0.020 . 1 . . . . 72 LEU H . 15762 1 799 . 1 1 72 72 LEU HA H 1 4.782 0.020 . 1 . . . . 72 LEU HA . 15762 1 800 . 1 1 72 72 LEU HB2 H 1 1.747 0.020 . 2 . . . . 72 LEU HB2 . 15762 1 801 . 1 1 72 72 LEU HB3 H 1 1.531 0.020 . 2 . . . . 72 LEU HB3 . 15762 1 802 . 1 1 72 72 LEU HD11 H 1 0.999 0.020 . 1 . . . . 72 LEU HD1 . 15762 1 803 . 1 1 72 72 LEU HD12 H 1 0.999 0.020 . 1 . . . . 72 LEU HD1 . 15762 1 804 . 1 1 72 72 LEU HD13 H 1 0.999 0.020 . 1 . . . . 72 LEU HD1 . 15762 1 805 . 1 1 72 72 LEU HD21 H 1 0.954 0.020 . 1 . . . . 72 LEU HD2 . 15762 1 806 . 1 1 72 72 LEU HD22 H 1 0.954 0.020 . 1 . . . . 72 LEU HD2 . 15762 1 807 . 1 1 72 72 LEU HD23 H 1 0.954 0.020 . 1 . . . . 72 LEU HD2 . 15762 1 808 . 1 1 72 72 LEU HG H 1 1.629 0.020 . 1 . . . . 72 LEU HG . 15762 1 809 . 1 1 72 72 LEU C C 13 176.095 0.400 . 1 . . . . 72 LEU C . 15762 1 810 . 1 1 72 72 LEU CA C 13 53.611 0.400 . 1 . . . . 72 LEU CA . 15762 1 811 . 1 1 72 72 LEU CB C 13 43.208 0.400 . 1 . . . . 72 LEU CB . 15762 1 812 . 1 1 72 72 LEU CD1 C 13 26.376 0.400 . 1 . . . . 72 LEU CD1 . 15762 1 813 . 1 1 72 72 LEU CD2 C 13 23.631 0.400 . 1 . . . . 72 LEU CD2 . 15762 1 814 . 1 1 72 72 LEU CG C 13 27.179 0.400 . 1 . . . . 72 LEU CG . 15762 1 815 . 1 1 72 72 LEU N N 15 126.126 0.400 . 1 . . . . 72 LEU N . 15762 1 816 . 1 1 73 73 GLU H H 1 8.432 0.020 . 1 . . . . 73 GLU H . 15762 1 817 . 1 1 73 73 GLU HA H 1 4.278 0.020 . 1 . . . . 73 GLU HA . 15762 1 818 . 1 1 73 73 GLU HB2 H 1 2.088 0.020 . 2 . . . . 73 GLU HB2 . 15762 1 819 . 1 1 73 73 GLU HB3 H 1 2.029 0.020 . 2 . . . . 73 GLU HB3 . 15762 1 820 . 1 1 73 73 GLU HG2 H 1 2.236 0.020 . 2 . . . . 73 GLU HG2 . 15762 1 821 . 1 1 73 73 GLU HG3 H 1 2.213 0.020 . 2 . . . . 73 GLU HG3 . 15762 1 822 . 1 1 73 73 GLU C C 13 176.700 0.400 . 1 . . . . 73 GLU C . 15762 1 823 . 1 1 73 73 GLU CA C 13 57.139 0.400 . 1 . . . . 73 GLU CA . 15762 1 824 . 1 1 73 73 GLU CB C 13 28.189 0.400 . 1 . . . . 73 GLU CB . 15762 1 825 . 1 1 73 73 GLU CG C 13 36.010 0.400 . 1 . . . . 73 GLU CG . 15762 1 826 . 1 1 73 73 GLU N N 15 120.740 0.400 . 1 . . . . 73 GLU N . 15762 1 827 . 1 1 74 74 GLY H H 1 8.867 0.020 . 1 . . . . 74 GLY H . 15762 1 828 . 1 1 74 74 GLY HA2 H 1 3.826 0.020 . 2 . . . . 74 GLY HA2 . 15762 1 829 . 1 1 74 74 GLY HA3 H 1 4.128 0.020 . 2 . . . . 74 GLY HA3 . 15762 1 830 . 1 1 74 74 GLY C C 13 172.770 0.400 . 1 . . . . 74 GLY C . 15762 1 831 . 1 1 74 74 GLY CA C 13 45.803 0.400 . 1 . . . . 74 GLY CA . 15762 1 832 . 1 1 74 74 GLY N N 15 114.244 0.400 . 1 . . . . 74 GLY N . 15762 1 833 . 1 1 75 75 GLN H H 1 7.480 0.020 . 1 . . . . 75 GLN H . 15762 1 834 . 1 1 75 75 GLN HA H 1 4.953 0.020 . 1 . . . . 75 GLN HA . 15762 1 835 . 1 1 75 75 GLN HB2 H 1 2.188 0.020 . 2 . . . . 75 GLN HB2 . 15762 1 836 . 1 1 75 75 GLN HB3 H 1 2.320 0.020 . 2 . . . . 75 GLN HB3 . 15762 1 837 . 1 1 75 75 GLN HE21 H 1 7.041 0.020 . 2 . . . . 75 GLN HE21 . 15762 1 838 . 1 1 75 75 GLN HE22 H 1 6.123 0.020 . 2 . . . . 75 GLN HE22 . 15762 1 839 . 1 1 75 75 GLN HG2 H 1 2.178 0.020 . 2 . . . . 75 GLN HG2 . 15762 1 840 . 1 1 75 75 GLN HG3 H 1 1.995 0.020 . 2 . . . . 75 GLN HG3 . 15762 1 841 . 1 1 75 75 GLN C C 13 173.634 0.400 . 1 . . . . 75 GLN C . 15762 1 842 . 1 1 75 75 GLN CA C 13 54.181 0.400 . 1 . . . . 75 GLN CA . 15762 1 843 . 1 1 75 75 GLN CB C 13 30.601 0.400 . 1 . . . . 75 GLN CB . 15762 1 844 . 1 1 75 75 GLN CG C 13 32.199 0.400 . 1 . . . . 75 GLN CG . 15762 1 845 . 1 1 75 75 GLN N N 15 114.474 0.400 . 1 . . . . 75 GLN N . 15762 1 846 . 1 1 75 75 GLN NE2 N 15 109.032 0.400 . 1 . . . . 75 GLN NE2 . 15762 1 847 . 1 1 76 76 VAL H H 1 9.190 0.020 . 1 . . . . 76 VAL H . 15762 1 848 . 1 1 76 76 VAL HA H 1 5.283 0.020 . 1 . . . . 76 VAL HA . 15762 1 849 . 1 1 76 76 VAL HB H 1 2.021 0.020 . 1 . . . . 76 VAL HB . 15762 1 850 . 1 1 76 76 VAL HG11 H 1 0.870 0.020 . 1 . . . . 76 VAL HG1 . 15762 1 851 . 1 1 76 76 VAL HG12 H 1 0.870 0.020 . 1 . . . . 76 VAL HG1 . 15762 1 852 . 1 1 76 76 VAL HG13 H 1 0.870 0.020 . 1 . . . . 76 VAL HG1 . 15762 1 853 . 1 1 76 76 VAL HG21 H 1 0.646 0.020 . 1 . . . . 76 VAL HG2 . 15762 1 854 . 1 1 76 76 VAL HG22 H 1 0.646 0.020 . 1 . . . . 76 VAL HG2 . 15762 1 855 . 1 1 76 76 VAL HG23 H 1 0.646 0.020 . 1 . . . . 76 VAL HG2 . 15762 1 856 . 1 1 76 76 VAL CA C 13 59.265 0.400 . 1 . . . . 76 VAL CA . 15762 1 857 . 1 1 76 76 VAL CB C 13 34.166 0.400 . 1 . . . . 76 VAL CB . 15762 1 858 . 1 1 76 76 VAL CG1 C 13 21.307 0.400 . 1 . . . . 76 VAL CG1 . 15762 1 859 . 1 1 76 76 VAL CG2 C 13 20.360 0.400 . 1 . . . . 76 VAL CG2 . 15762 1 860 . 1 1 76 76 VAL N N 15 112.315 0.400 . 1 . . . . 76 VAL N . 15762 1 861 . 1 1 77 77 GLU H H 1 9.113 0.020 . 1 . . . . 77 GLU H . 15762 1 862 . 1 1 77 77 GLU HA H 1 4.797 0.020 . 1 . . . . 77 GLU HA . 15762 1 863 . 1 1 77 77 GLU HB2 H 1 1.863 0.020 . 2 . . . . 77 GLU HB2 . 15762 1 864 . 1 1 77 77 GLU HB3 H 1 1.974 0.020 . 2 . . . . 77 GLU HB3 . 15762 1 865 . 1 1 77 77 GLU HG2 H 1 1.777 0.020 . 2 . . . . 77 GLU HG2 . 15762 1 866 . 1 1 77 77 GLU HG3 H 1 1.419 0.020 . 2 . . . . 77 GLU HG3 . 15762 1 867 . 1 1 77 77 GLU C C 13 174.756 0.400 . 1 . . . . 77 GLU C . 15762 1 868 . 1 1 77 77 GLU CA C 13 54.441 0.400 . 1 . . . . 77 GLU CA . 15762 1 869 . 1 1 77 77 GLU CB C 13 33.662 0.400 . 1 . . . . 77 GLU CB . 15762 1 870 . 1 1 77 77 GLU CG C 13 34.794 0.400 . 1 . . . . 77 GLU CG . 15762 1 871 . 1 1 77 77 GLU N N 15 122.444 0.400 . 1 . . . . 77 GLU N . 15762 1 872 . 1 1 78 78 LEU H H 1 9.167 0.020 . 1 . . . . 78 LEU H . 15762 1 873 . 1 1 78 78 LEU HA H 1 5.056 0.020 . 1 . . . . 78 LEU HA . 15762 1 874 . 1 1 78 78 LEU HB2 H 1 2.389 0.020 . 2 . . . . 78 LEU HB2 . 15762 1 875 . 1 1 78 78 LEU HB3 H 1 1.424 0.020 . 2 . . . . 78 LEU HB3 . 15762 1 876 . 1 1 78 78 LEU HD11 H 1 1.224 0.020 . 1 . . . . 78 LEU HD1 . 15762 1 877 . 1 1 78 78 LEU HD12 H 1 1.224 0.020 . 1 . . . . 78 LEU HD1 . 15762 1 878 . 1 1 78 78 LEU HD13 H 1 1.224 0.020 . 1 . . . . 78 LEU HD1 . 15762 1 879 . 1 1 78 78 LEU HD21 H 1 1.107 0.020 . 1 . . . . 78 LEU HD2 . 15762 1 880 . 1 1 78 78 LEU HD22 H 1 1.107 0.020 . 1 . . . . 78 LEU HD2 . 15762 1 881 . 1 1 78 78 LEU HD23 H 1 1.107 0.020 . 1 . . . . 78 LEU HD2 . 15762 1 882 . 1 1 78 78 LEU HG H 1 1.719 0.020 . 1 . . . . 78 LEU HG . 15762 1 883 . 1 1 78 78 LEU C C 13 173.634 0.400 . 1 . . . . 78 LEU C . 15762 1 884 . 1 1 78 78 LEU CA C 13 53.818 0.400 . 1 . . . . 78 LEU CA . 15762 1 885 . 1 1 78 78 LEU CB C 13 45.569 0.400 . 1 . . . . 78 LEU CB . 15762 1 886 . 1 1 78 78 LEU CD1 C 13 26.492 0.400 . 1 . . . . 78 LEU CD1 . 15762 1 887 . 1 1 78 78 LEU CD2 C 13 24.100 0.400 . 1 . . . . 78 LEU CD2 . 15762 1 888 . 1 1 78 78 LEU CG C 13 28.261 0.400 . 1 . . . . 78 LEU CG . 15762 1 889 . 1 1 78 78 LEU N N 15 128.748 0.400 . 1 . . . . 78 LEU N . 15762 1 890 . 1 1 79 79 ASP H H 1 8.778 0.020 . 1 . . . . 79 ASP H . 15762 1 891 . 1 1 79 79 ASP HA H 1 5.429 0.020 . 1 . . . . 79 ASP HA . 15762 1 892 . 1 1 79 79 ASP HB2 H 1 2.772 0.020 . 2 . . . . 79 ASP HB2 . 15762 1 893 . 1 1 79 79 ASP HB3 H 1 2.490 0.020 . 2 . . . . 79 ASP HB3 . 15762 1 894 . 1 1 79 79 ASP C C 13 174.497 0.400 . 1 . . . . 79 ASP C . 15762 1 895 . 1 1 79 79 ASP CA C 13 53.195 0.400 . 1 . . . . 79 ASP CA . 15762 1 896 . 1 1 79 79 ASP CB C 13 42.975 0.400 . 1 . . . . 79 ASP CB . 15762 1 897 . 1 1 79 79 ASP N N 15 126.517 0.400 . 1 . . . . 79 ASP N . 15762 1 898 . 1 1 80 80 ALA H H 1 9.310 0.020 . 1 . . . . 80 ALA H . 15762 1 899 . 1 1 80 80 ALA HA H 1 5.305 0.020 . 1 . . . . 80 ALA HA . 15762 1 900 . 1 1 80 80 ALA HB1 H 1 1.370 0.020 . 1 . . . . 80 ALA HB . 15762 1 901 . 1 1 80 80 ALA HB2 H 1 1.370 0.020 . 1 . . . . 80 ALA HB . 15762 1 902 . 1 1 80 80 ALA HB3 H 1 1.370 0.020 . 1 . . . . 80 ALA HB . 15762 1 903 . 1 1 80 80 ALA C C 13 175.231 0.400 . 1 . . . . 80 ALA C . 15762 1 904 . 1 1 80 80 ALA CA C 13 50.653 0.400 . 1 . . . . 80 ALA CA . 15762 1 905 . 1 1 80 80 ALA CB C 13 24.661 0.400 . 1 . . . . 80 ALA CB . 15762 1 906 . 1 1 80 80 ALA N N 15 126.025 0.400 . 1 . . . . 80 ALA N . 15762 1 907 . 1 1 81 81 ALA H H 1 8.902 0.020 . 1 . . . . 81 ALA H . 15762 1 908 . 1 1 81 81 ALA HA H 1 5.318 0.020 . 1 . . . . 81 ALA HA . 15762 1 909 . 1 1 81 81 ALA HB1 H 1 1.214 0.020 . 1 . . . . 81 ALA HB . 15762 1 910 . 1 1 81 81 ALA HB2 H 1 1.214 0.020 . 1 . . . . 81 ALA HB . 15762 1 911 . 1 1 81 81 ALA HB3 H 1 1.214 0.020 . 1 . . . . 81 ALA HB . 15762 1 912 . 1 1 81 81 ALA C C 13 175.361 0.400 . 1 . . . . 81 ALA C . 15762 1 913 . 1 1 81 81 ALA CA C 13 51.224 0.400 . 1 . . . . 81 ALA CA . 15762 1 914 . 1 1 81 81 ALA CB C 13 21.964 0.400 . 1 . . . . 81 ALA CB . 15762 1 915 . 1 1 81 81 ALA N N 15 123.630 0.400 . 1 . . . . 81 ALA N . 15762 1 916 . 1 1 82 82 PHE H H 1 9.242 0.020 . 1 . . . . 82 PHE H . 15762 1 917 . 1 1 82 82 PHE HA H 1 4.775 0.020 . 1 . . . . 82 PHE HA . 15762 1 918 . 1 1 82 82 PHE HB2 H 1 2.892 0.020 . 2 . . . . 82 PHE HB2 . 15762 1 919 . 1 1 82 82 PHE HB3 H 1 2.117 0.020 . 2 . . . . 82 PHE HB3 . 15762 1 920 . 1 1 82 82 PHE HD1 H 1 6.978 0.020 . 1 . . . . 82 PHE HD1 . 15762 1 921 . 1 1 82 82 PHE HD2 H 1 6.978 0.020 . 1 . . . . 82 PHE HD2 . 15762 1 922 . 1 1 82 82 PHE HE1 H 1 6.952 0.020 . 1 . . . . 82 PHE HE1 . 15762 1 923 . 1 1 82 82 PHE HE2 H 1 6.952 0.020 . 1 . . . . 82 PHE HE2 . 15762 1 924 . 1 1 82 82 PHE C C 13 177.909 0.400 . 1 . . . . 82 PHE C . 15762 1 925 . 1 1 82 82 PHE CA C 13 55.841 0.400 . 1 . . . . 82 PHE CA . 15762 1 926 . 1 1 82 82 PHE CB C 13 42.093 0.400 . 1 . . . . 82 PHE CB . 15762 1 927 . 1 1 82 82 PHE CD1 C 13 132.453 0.400 . 1 . . . . 82 PHE CD1 . 15762 1 928 . 1 1 82 82 PHE CE1 C 13 130.210 0.400 . 1 . . . . 82 PHE CE1 . 15762 1 929 . 1 1 82 82 PHE N N 15 123.168 0.400 . 1 . . . . 82 PHE N . 15762 1 930 . 1 1 83 83 THR H H 1 8.935 0.020 . 1 . . . . 83 THR H . 15762 1 931 . 1 1 83 83 THR HA H 1 4.934 0.020 . 1 . . . . 83 THR HA . 15762 1 932 . 1 1 83 83 THR HB H 1 3.781 0.020 . 1 . . . . 83 THR HB . 15762 1 933 . 1 1 83 83 THR HG21 H 1 1.157 0.020 . 1 . . . . 83 THR HG2 . 15762 1 934 . 1 1 83 83 THR HG22 H 1 1.157 0.020 . 1 . . . . 83 THR HG2 . 15762 1 935 . 1 1 83 83 THR HG23 H 1 1.157 0.020 . 1 . . . . 83 THR HG2 . 15762 1 936 . 1 1 83 83 THR C C 13 173.439 0.400 . 1 . . . . 83 THR C . 15762 1 937 . 1 1 83 83 THR CA C 13 62.482 0.400 . 1 . . . . 83 THR CA . 15762 1 938 . 1 1 83 83 THR CB C 13 70.005 0.400 . 1 . . . . 83 THR CB . 15762 1 939 . 1 1 83 83 THR CG2 C 13 21.173 0.400 . 1 . . . . 83 THR CG2 . 15762 1 940 . 1 1 83 83 THR N N 15 120.394 0.400 . 1 . . . . 83 THR N . 15762 1 941 . 1 1 84 84 PHE H H 1 8.720 0.020 . 1 . . . . 84 PHE H . 15762 1 942 . 1 1 84 84 PHE HA H 1 4.783 0.020 . 1 . . . . 84 PHE HA . 15762 1 943 . 1 1 84 84 PHE HB2 H 1 2.881 0.020 . 2 . . . . 84 PHE HB2 . 15762 1 944 . 1 1 84 84 PHE HB3 H 1 3.837 0.020 . 2 . . . . 84 PHE HB3 . 15762 1 945 . 1 1 84 84 PHE HD1 H 1 7.322 0.020 . 1 . . . . 84 PHE HD1 . 15762 1 946 . 1 1 84 84 PHE HD2 H 1 7.322 0.020 . 1 . . . . 84 PHE HD2 . 15762 1 947 . 1 1 84 84 PHE HE1 H 1 7.088 0.020 . 1 . . . . 84 PHE HE1 . 15762 1 948 . 1 1 84 84 PHE HE2 H 1 7.088 0.020 . 1 . . . . 84 PHE HE2 . 15762 1 949 . 1 1 84 84 PHE HZ H 1 5.782 0.020 . 1 . . . . 84 PHE HZ . 15762 1 950 . 1 1 84 84 PHE C C 13 174.951 0.400 . 1 . . . . 84 PHE C . 15762 1 951 . 1 1 84 84 PHE CA C 13 57.295 0.400 . 1 . . . . 84 PHE CA . 15762 1 952 . 1 1 84 84 PHE CB C 13 42.016 0.400 . 1 . . . . 84 PHE CB . 15762 1 953 . 1 1 84 84 PHE CD1 C 13 131.926 0.400 . 1 . . . . 84 PHE CD1 . 15762 1 954 . 1 1 84 84 PHE CE1 C 13 130.480 0.400 . 1 . . . . 84 PHE CE1 . 15762 1 955 . 1 1 84 84 PHE CZ C 13 128.287 0.400 . 1 . . . . 84 PHE CZ . 15762 1 956 . 1 1 84 84 PHE N N 15 126.548 0.400 . 1 . . . . 84 PHE N . 15762 1 957 . 1 1 85 85 SER H H 1 9.188 0.020 . 1 . . . . 85 SER H . 15762 1 958 . 1 1 85 85 SER HA H 1 4.373 0.020 . 1 . . . . 85 SER HA . 15762 1 959 . 1 1 85 85 SER HB2 H 1 4.087 0.020 . 2 . . . . 85 SER HB2 . 15762 1 960 . 1 1 85 85 SER HB3 H 1 4.078 0.020 . 2 . . . . 85 SER HB3 . 15762 1 961 . 1 1 85 85 SER C C 13 174.173 0.400 . 1 . . . . 85 SER C . 15762 1 962 . 1 1 85 85 SER CA C 13 60.304 0.400 . 1 . . . . 85 SER CA . 15762 1 963 . 1 1 85 85 SER CB C 13 63.910 0.400 . 1 . . . . 85 SER CB . 15762 1 964 . 1 1 85 85 SER N N 15 115.162 0.400 . 1 . . . . 85 SER N . 15762 1 965 . 1 1 86 86 CYS H H 1 7.696 0.020 . 1 . . . . 86 CYS H . 15762 1 966 . 1 1 86 86 CYS HA H 1 5.122 0.020 . 1 . . . . 86 CYS HA . 15762 1 967 . 1 1 86 86 CYS HB2 H 1 3.430 0.020 . 2 . . . . 86 CYS HB2 . 15762 1 968 . 1 1 86 86 CYS HB3 H 1 3.179 0.020 . 2 . . . . 86 CYS HB3 . 15762 1 969 . 1 1 86 86 CYS C C 13 174.238 0.400 . 1 . . . . 86 CYS C . 15762 1 970 . 1 1 86 86 CYS CA C 13 56.049 0.400 . 1 . . . . 86 CYS CA . 15762 1 971 . 1 1 86 86 CYS CB C 13 30.394 0.400 . 1 . . . . 86 CYS CB . 15762 1 972 . 1 1 86 86 CYS N N 15 111.320 0.400 . 1 . . . . 86 CYS N . 15762 1 973 . 1 1 87 87 GLN H H 1 9.137 0.020 . 1 . . . . 87 GLN H . 15762 1 974 . 1 1 87 87 GLN HA H 1 4.071 0.020 . 1 . . . . 87 GLN HA . 15762 1 975 . 1 1 87 87 GLN HB2 H 1 2.156 0.020 . 2 . . . . 87 GLN HB2 . 15762 1 976 . 1 1 87 87 GLN HB3 H 1 2.106 0.020 . 2 . . . . 87 GLN HB3 . 15762 1 977 . 1 1 87 87 GLN HE21 H 1 7.617 0.020 . 1 . . . . 87 GLN HE21 . 15762 1 978 . 1 1 87 87 GLN HE22 H 1 6.950 0.020 . 1 . . . . 87 GLN HE22 . 15762 1 979 . 1 1 87 87 GLN HG2 H 1 2.601 0.020 . 2 . . . . 87 GLN HG2 . 15762 1 980 . 1 1 87 87 GLN HG3 H 1 2.437 0.020 . 2 . . . . 87 GLN HG3 . 15762 1 981 . 1 1 87 87 GLN C C 13 177.693 0.400 . 1 . . . . 87 GLN C . 15762 1 982 . 1 1 87 87 GLN CA C 13 59.317 0.400 . 1 . . . . 87 GLN CA . 15762 1 983 . 1 1 87 87 GLN CB C 13 28.708 0.400 . 1 . . . . 87 GLN CB . 15762 1 984 . 1 1 87 87 GLN CG C 13 34.313 0.400 . 1 . . . . 87 GLN CG . 15762 1 985 . 1 1 87 87 GLN N N 15 122.997 0.400 . 1 . . . . 87 GLN N . 15762 1 986 . 1 1 87 87 GLN NE2 N 15 111.841 0.400 . 1 . . . . 87 GLN NE2 . 15762 1 987 . 1 1 88 88 ALA H H 1 8.734 0.020 . 1 . . . . 88 ALA H . 15762 1 988 . 1 1 88 88 ALA HA H 1 4.005 0.020 . 1 . . . . 88 ALA HA . 15762 1 989 . 1 1 88 88 ALA HB1 H 1 1.512 0.020 . 1 . . . . 88 ALA HB . 15762 1 990 . 1 1 88 88 ALA HB2 H 1 1.512 0.020 . 1 . . . . 88 ALA HB . 15762 1 991 . 1 1 88 88 ALA HB3 H 1 1.512 0.020 . 1 . . . . 88 ALA HB . 15762 1 992 . 1 1 88 88 ALA C C 13 180.327 0.400 . 1 . . . . 88 ALA C . 15762 1 993 . 1 1 88 88 ALA CA C 13 55.686 0.400 . 1 . . . . 88 ALA CA . 15762 1 994 . 1 1 88 88 ALA CB C 13 18.279 0.400 . 1 . . . . 88 ALA CB . 15762 1 995 . 1 1 88 88 ALA N N 15 119.891 0.400 . 1 . . . . 88 ALA N . 15762 1 996 . 1 1 89 89 GLU H H 1 7.023 0.020 . 1 . . . . 89 GLU H . 15762 1 997 . 1 1 89 89 GLU HA H 1 3.878 0.020 . 1 . . . . 89 GLU HA . 15762 1 998 . 1 1 89 89 GLU HB2 H 1 2.250 0.020 . 2 . . . . 89 GLU HB2 . 15762 1 999 . 1 1 89 89 GLU HB3 H 1 1.978 0.020 . 2 . . . . 89 GLU HB3 . 15762 1 1000 . 1 1 89 89 GLU HG2 H 1 2.713 0.020 . 2 . . . . 89 GLU HG2 . 15762 1 1001 . 1 1 89 89 GLU HG3 H 1 2.338 0.020 . 2 . . . . 89 GLU HG3 . 15762 1 1002 . 1 1 89 89 GLU C C 13 176.656 0.400 . 1 . . . . 89 GLU C . 15762 1 1003 . 1 1 89 89 GLU CA C 13 58.435 0.400 . 1 . . . . 89 GLU CA . 15762 1 1004 . 1 1 89 89 GLU CB C 13 30.394 0.400 . 1 . . . . 89 GLU CB . 15762 1 1005 . 1 1 89 89 GLU CG C 13 37.227 0.400 . 1 . . . . 89 GLU CG . 15762 1 1006 . 1 1 89 89 GLU N N 15 115.156 0.400 . 1 . . . . 89 GLU N . 15762 1 1007 . 1 1 90 90 MET H H 1 6.749 0.020 . 1 . . . . 90 MET H . 15762 1 1008 . 1 1 90 90 MET HA H 1 2.984 0.020 . 1 . . . . 90 MET HA . 15762 1 1009 . 1 1 90 90 MET HB2 H 1 1.881 0.020 . 2 . . . . 90 MET HB2 . 15762 1 1010 . 1 1 90 90 MET HB3 H 1 1.869 0.020 . 2 . . . . 90 MET HB3 . 15762 1 1011 . 1 1 90 90 MET HE1 H 1 2.116 0.020 . 1 . . . . 90 MET HE . 15762 1 1012 . 1 1 90 90 MET HE2 H 1 2.116 0.020 . 1 . . . . 90 MET HE . 15762 1 1013 . 1 1 90 90 MET HE3 H 1 2.116 0.020 . 1 . . . . 90 MET HE . 15762 1 1014 . 1 1 90 90 MET HG2 H 1 2.439 0.020 . 2 . . . . 90 MET HG2 . 15762 1 1015 . 1 1 90 90 MET HG3 H 1 2.410 0.020 . 2 . . . . 90 MET HG3 . 15762 1 1016 . 1 1 90 90 MET C C 13 177.650 0.400 . 1 . . . . 90 MET C . 15762 1 1017 . 1 1 90 90 MET CA C 13 58.902 0.400 . 1 . . . . 90 MET CA . 15762 1 1018 . 1 1 90 90 MET CB C 13 32.900 0.400 . 1 . . . . 90 MET CB . 15762 1 1019 . 1 1 90 90 MET CE C 13 17.608 0.400 . 1 . . . . 90 MET CE . 15762 1 1020 . 1 1 90 90 MET CG C 13 32.070 0.400 . 1 . . . . 90 MET CG . 15762 1 1021 . 1 1 90 90 MET N N 15 118.706 0.400 . 1 . . . . 90 MET N . 15762 1 1022 . 1 1 91 91 ILE H H 1 8.333 0.020 . 1 . . . . 91 ILE H . 15762 1 1023 . 1 1 91 91 ILE HA H 1 3.709 0.020 . 1 . . . . 91 ILE HA . 15762 1 1024 . 1 1 91 91 ILE HB H 1 1.902 0.020 . 1 . . . . 91 ILE HB . 15762 1 1025 . 1 1 91 91 ILE HD11 H 1 0.913 0.020 . 1 . . . . 91 ILE HD1 . 15762 1 1026 . 1 1 91 91 ILE HD12 H 1 0.913 0.020 . 1 . . . . 91 ILE HD1 . 15762 1 1027 . 1 1 91 91 ILE HD13 H 1 0.913 0.020 . 1 . . . . 91 ILE HD1 . 15762 1 1028 . 1 1 91 91 ILE HG12 H 1 1.671 0.020 . 2 . . . . 91 ILE HG12 . 15762 1 1029 . 1 1 91 91 ILE HG13 H 1 1.234 0.020 . 2 . . . . 91 ILE HG13 . 15762 1 1030 . 1 1 91 91 ILE HG21 H 1 0.825 0.020 . 1 . . . . 91 ILE HG2 . 15762 1 1031 . 1 1 91 91 ILE HG22 H 1 0.825 0.020 . 1 . . . . 91 ILE HG2 . 15762 1 1032 . 1 1 91 91 ILE HG23 H 1 0.825 0.020 . 1 . . . . 91 ILE HG2 . 15762 1 1033 . 1 1 91 91 ILE C C 13 178.341 0.400 . 1 . . . . 91 ILE C . 15762 1 1034 . 1 1 91 91 ILE CA C 13 64.558 0.400 . 1 . . . . 91 ILE CA . 15762 1 1035 . 1 1 91 91 ILE CB C 13 37.579 0.400 . 1 . . . . 91 ILE CB . 15762 1 1036 . 1 1 91 91 ILE CD1 C 13 16.996 0.400 . 1 . . . . 91 ILE CD1 . 15762 1 1037 . 1 1 91 91 ILE CG1 C 13 28.978 0.400 . 1 . . . . 91 ILE CG1 . 15762 1 1038 . 1 1 91 91 ILE CG2 C 13 12.697 0.400 . 1 . . . . 91 ILE CG2 . 15762 1 1039 . 1 1 91 91 ILE N N 15 118.944 0.400 . 1 . . . . 91 ILE N . 15762 1 1040 . 1 1 92 92 ILE H H 1 7.414 0.020 . 1 . . . . 92 ILE H . 15762 1 1041 . 1 1 92 92 ILE HA H 1 3.626 0.020 . 1 . . . . 92 ILE HA . 15762 1 1042 . 1 1 92 92 ILE HB H 1 2.009 0.020 . 1 . . . . 92 ILE HB . 15762 1 1043 . 1 1 92 92 ILE HD11 H 1 0.972 0.020 . 1 . . . . 92 ILE HD1 . 15762 1 1044 . 1 1 92 92 ILE HD12 H 1 0.972 0.020 . 1 . . . . 92 ILE HD1 . 15762 1 1045 . 1 1 92 92 ILE HD13 H 1 0.972 0.020 . 1 . . . . 92 ILE HD1 . 15762 1 1046 . 1 1 92 92 ILE HG12 H 1 1.745 0.020 . 2 . . . . 92 ILE HG12 . 15762 1 1047 . 1 1 92 92 ILE HG13 H 1 1.729 0.020 . 2 . . . . 92 ILE HG13 . 15762 1 1048 . 1 1 92 92 ILE HG21 H 1 0.883 0.020 . 1 . . . . 92 ILE HG2 . 15762 1 1049 . 1 1 92 92 ILE HG22 H 1 0.883 0.020 . 1 . . . . 92 ILE HG2 . 15762 1 1050 . 1 1 92 92 ILE HG23 H 1 0.883 0.020 . 1 . . . . 92 ILE HG2 . 15762 1 1051 . 1 1 92 92 ILE C C 13 179.096 0.400 . 1 . . . . 92 ILE C . 15762 1 1052 . 1 1 92 92 ILE CA C 13 64.869 0.400 . 1 . . . . 92 ILE CA . 15762 1 1053 . 1 1 92 92 ILE CB C 13 37.476 0.400 . 1 . . . . 92 ILE CB . 15762 1 1054 . 1 1 92 92 ILE CD1 C 13 16.880 0.400 . 1 . . . . 92 ILE CD1 . 15762 1 1055 . 1 1 92 92 ILE CG1 C 13 28.862 0.400 . 1 . . . . 92 ILE CG1 . 15762 1 1056 . 1 1 92 92 ILE CG2 C 13 12.447 0.400 . 1 . . . . 92 ILE CG2 . 15762 1 1057 . 1 1 92 92 ILE N N 15 120.412 0.400 . 1 . . . . 92 ILE N . 15762 1 1058 . 1 1 93 93 PHE H H 1 7.963 0.020 . 1 . . . . 93 PHE H . 15762 1 1059 . 1 1 93 93 PHE HA H 1 4.071 0.020 . 1 . . . . 93 PHE HA . 15762 1 1060 . 1 1 93 93 PHE HB2 H 1 2.576 0.020 . 2 . . . . 93 PHE HB2 . 15762 1 1061 . 1 1 93 93 PHE HB3 H 1 2.869 0.020 . 2 . . . . 93 PHE HB3 . 15762 1 1062 . 1 1 93 93 PHE HD1 H 1 6.912 0.020 . 1 . . . . 93 PHE HD1 . 15762 1 1063 . 1 1 93 93 PHE HD2 H 1 6.912 0.020 . 1 . . . . 93 PHE HD2 . 15762 1 1064 . 1 1 93 93 PHE HE1 H 1 7.028 0.020 . 1 . . . . 93 PHE HE1 . 15762 1 1065 . 1 1 93 93 PHE HE2 H 1 7.028 0.020 . 1 . . . . 93 PHE HE2 . 15762 1 1066 . 1 1 93 93 PHE HZ H 1 5.703 0.020 . 1 . . . . 93 PHE HZ . 15762 1 1067 . 1 1 93 93 PHE C C 13 173.958 0.400 . 1 . . . . 93 PHE C . 15762 1 1068 . 1 1 93 93 PHE CA C 13 60.563 0.400 . 1 . . . . 93 PHE CA . 15762 1 1069 . 1 1 93 93 PHE CB C 13 39.240 0.400 . 1 . . . . 93 PHE CB . 15762 1 1070 . 1 1 93 93 PHE CD1 C 13 131.118 0.400 . 1 . . . . 93 PHE CD1 . 15762 1 1071 . 1 1 93 93 PHE CE1 C 13 130.705 0.400 . 1 . . . . 93 PHE CE1 . 15762 1 1072 . 1 1 93 93 PHE CZ C 13 129.110 0.400 . 1 . . . . 93 PHE CZ . 15762 1 1073 . 1 1 93 93 PHE N N 15 120.836 0.400 . 1 . . . . 93 PHE N . 15762 1 1074 . 1 1 94 94 GLU H H 1 8.936 0.020 . 1 . . . . 94 GLU H . 15762 1 1075 . 1 1 94 94 GLU HA H 1 3.521 0.020 . 1 . . . . 94 GLU HA . 15762 1 1076 . 1 1 94 94 GLU HB2 H 1 2.797 0.020 . 2 . . . . 94 GLU HB2 . 15762 1 1077 . 1 1 94 94 GLU HB3 H 1 2.761 0.020 . 2 . . . . 94 GLU HB3 . 15762 1 1078 . 1 1 94 94 GLU HG2 H 1 2.240 0.020 . 2 . . . . 94 GLU HG2 . 15762 1 1079 . 1 1 94 94 GLU HG3 H 1 2.148 0.020 . 2 . . . . 94 GLU HG3 . 15762 1 1080 . 1 1 94 94 GLU C C 13 179.895 0.400 . 1 . . . . 94 GLU C . 15762 1 1081 . 1 1 94 94 GLU CA C 13 60.355 0.400 . 1 . . . . 94 GLU CA . 15762 1 1082 . 1 1 94 94 GLU CB C 13 28.839 0.400 . 1 . . . . 94 GLU CB . 15762 1 1083 . 1 1 94 94 GLU CG C 13 37.623 0.400 . 1 . . . . 94 GLU CG . 15762 1 1084 . 1 1 94 94 GLU N N 15 119.891 0.400 . 1 . . . . 94 GLU N . 15762 1 1085 . 1 1 95 95 LEU H H 1 8.488 0.020 . 1 . . . . 95 LEU H . 15762 1 1086 . 1 1 95 95 LEU HA H 1 4.059 0.020 . 1 . . . . 95 LEU HA . 15762 1 1087 . 1 1 95 95 LEU HB2 H 1 1.888 0.020 . 2 . . . . 95 LEU HB2 . 15762 1 1088 . 1 1 95 95 LEU HB3 H 1 1.547 0.020 . 2 . . . . 95 LEU HB3 . 15762 1 1089 . 1 1 95 95 LEU HD11 H 1 0.867 0.020 . 1 . . . . 95 LEU HD1 . 15762 1 1090 . 1 1 95 95 LEU HD12 H 1 0.867 0.020 . 1 . . . . 95 LEU HD1 . 15762 1 1091 . 1 1 95 95 LEU HD13 H 1 0.867 0.020 . 1 . . . . 95 LEU HD1 . 15762 1 1092 . 1 1 95 95 LEU HD21 H 1 0.858 0.020 . 1 . . . . 95 LEU HD2 . 15762 1 1093 . 1 1 95 95 LEU HD22 H 1 0.858 0.020 . 1 . . . . 95 LEU HD2 . 15762 1 1094 . 1 1 95 95 LEU HD23 H 1 0.858 0.020 . 1 . . . . 95 LEU HD2 . 15762 1 1095 . 1 1 95 95 LEU HG H 1 1.798 0.020 . 1 . . . . 95 LEU HG . 15762 1 1096 . 1 1 95 95 LEU C C 13 180.392 0.400 . 1 . . . . 95 LEU C . 15762 1 1097 . 1 1 95 95 LEU CA C 13 58.021 0.400 . 1 . . . . 95 LEU CA . 15762 1 1098 . 1 1 95 95 LEU CB C 13 41.263 0.400 . 1 . . . . 95 LEU CB . 15762 1 1099 . 1 1 95 95 LEU CD1 C 13 25.049 0.400 . 1 . . . . 95 LEU CD1 . 15762 1 1100 . 1 1 95 95 LEU CD2 C 13 23.054 0.400 . 1 . . . . 95 LEU CD2 . 15762 1 1101 . 1 1 95 95 LEU CG C 13 26.770 0.400 . 1 . . . . 95 LEU CG . 15762 1 1102 . 1 1 95 95 LEU N N 15 120.807 0.400 . 1 . . . . 95 LEU N . 15762 1 1103 . 1 1 96 96 SER H H 1 8.039 0.020 . 1 . . . . 96 SER H . 15762 1 1104 . 1 1 96 96 SER HA H 1 4.247 0.020 . 1 . . . . 96 SER HA . 15762 1 1105 . 1 1 96 96 SER HB2 H 1 3.957 0.020 . 2 . . . . 96 SER HB2 . 15762 1 1106 . 1 1 96 96 SER HB3 H 1 3.866 0.020 . 2 . . . . 96 SER HB3 . 15762 1 1107 . 1 1 96 96 SER C C 13 175.987 0.400 . 1 . . . . 96 SER C . 15762 1 1108 . 1 1 96 96 SER CA C 13 60.978 0.400 . 1 . . . . 96 SER CA . 15762 1 1109 . 1 1 96 96 SER CB C 13 62.431 0.400 . 1 . . . . 96 SER CB . 15762 1 1110 . 1 1 96 96 SER N N 15 117.559 0.400 . 1 . . . . 96 SER N . 15762 1 1111 . 1 1 97 97 LEU H H 1 7.742 0.020 . 1 . . . . 97 LEU H . 15762 1 1112 . 1 1 97 97 LEU HA H 1 3.716 0.020 . 1 . . . . 97 LEU HA . 15762 1 1113 . 1 1 97 97 LEU HB2 H 1 1.338 0.020 . 2 . . . . 97 LEU HB2 . 15762 1 1114 . 1 1 97 97 LEU HB3 H 1 1.360 0.020 . 2 . . . . 97 LEU HB3 . 15762 1 1115 . 1 1 97 97 LEU HD11 H 1 0.453 0.020 . 1 . . . . 97 LEU HD1 . 15762 1 1116 . 1 1 97 97 LEU HD12 H 1 0.453 0.020 . 1 . . . . 97 LEU HD1 . 15762 1 1117 . 1 1 97 97 LEU HD13 H 1 0.453 0.020 . 1 . . . . 97 LEU HD1 . 15762 1 1118 . 1 1 97 97 LEU HD21 H 1 0.279 0.020 . 1 . . . . 97 LEU HD2 . 15762 1 1119 . 1 1 97 97 LEU HD22 H 1 0.279 0.020 . 1 . . . . 97 LEU HD2 . 15762 1 1120 . 1 1 97 97 LEU HD23 H 1 0.279 0.020 . 1 . . . . 97 LEU HD2 . 15762 1 1121 . 1 1 97 97 LEU HG H 1 1.188 0.020 . 1 . . . . 97 LEU HG . 15762 1 1122 . 1 1 97 97 LEU C C 13 179.139 0.400 . 1 . . . . 97 LEU C . 15762 1 1123 . 1 1 97 97 LEU CA C 13 57.139 0.400 . 1 . . . . 97 LEU CA . 15762 1 1124 . 1 1 97 97 LEU CB C 13 41.237 0.400 . 1 . . . . 97 LEU CB . 15762 1 1125 . 1 1 97 97 LEU CD1 C 13 24.730 0.400 . 1 . . . . 97 LEU CD1 . 15762 1 1126 . 1 1 97 97 LEU CD2 C 13 23.689 0.400 . 1 . . . . 97 LEU CD2 . 15762 1 1127 . 1 1 97 97 LEU CG C 13 26.025 0.400 . 1 . . . . 97 LEU CG . 15762 1 1128 . 1 1 97 97 LEU N N 15 123.691 0.400 . 1 . . . . 97 LEU N . 15762 1 1129 . 1 1 98 98 ARG H H 1 7.694 0.020 . 1 . . . . 98 ARG H . 15762 1 1130 . 1 1 98 98 ARG HA H 1 4.065 0.020 . 1 . . . . 98 ARG HA . 15762 1 1131 . 1 1 98 98 ARG HB2 H 1 1.959 0.020 . 2 . . . . 98 ARG HB2 . 15762 1 1132 . 1 1 98 98 ARG HB3 H 1 1.863 0.020 . 2 . . . . 98 ARG HB3 . 15762 1 1133 . 1 1 98 98 ARG HD2 H 1 3.231 0.020 . 2 . . . . 98 ARG HD2 . 15762 1 1134 . 1 1 98 98 ARG HD3 H 1 3.216 0.020 . 2 . . . . 98 ARG HD3 . 15762 1 1135 . 1 1 98 98 ARG HG2 H 1 1.728 0.020 . 2 . . . . 98 ARG HG2 . 15762 1 1136 . 1 1 98 98 ARG HG3 H 1 1.704 0.020 . 2 . . . . 98 ARG HG3 . 15762 1 1137 . 1 1 98 98 ARG C C 13 178.470 0.400 . 1 . . . . 98 ARG C . 15762 1 1138 . 1 1 98 98 ARG CA C 13 58.903 0.400 . 1 . . . . 98 ARG CA . 15762 1 1139 . 1 1 98 98 ARG CB C 13 29.722 0.400 . 1 . . . . 98 ARG CB . 15762 1 1140 . 1 1 98 98 ARG CD C 13 43.435 0.400 . 1 . . . . 98 ARG CD . 15762 1 1141 . 1 1 98 98 ARG CG C 13 27.310 0.400 . 1 . . . . 98 ARG CG . 15762 1 1142 . 1 1 98 98 ARG N N 15 118.541 0.400 . 1 . . . . 98 ARG N . 15762 1 1143 . 1 1 99 99 SER H H 1 7.707 0.020 . 1 . . . . 99 SER H . 15762 1 1144 . 1 1 99 99 SER HA H 1 4.311 0.020 . 1 . . . . 99 SER HA . 15762 1 1145 . 1 1 99 99 SER HB2 H 1 3.971 0.020 . 2 . . . . 99 SER HB2 . 15762 1 1146 . 1 1 99 99 SER HB3 H 1 3.960 0.020 . 2 . . . . 99 SER HB3 . 15762 1 1147 . 1 1 99 99 SER C C 13 175.426 0.400 . 1 . . . . 99 SER C . 15762 1 1148 . 1 1 99 99 SER CA C 13 60.355 0.400 . 1 . . . . 99 SER CA . 15762 1 1149 . 1 1 99 99 SER CB C 13 63.105 0.400 . 1 . . . . 99 SER CB . 15762 1 1150 . 1 1 99 99 SER N N 15 113.012 0.400 . 1 . . . . 99 SER N . 15762 1 1151 . 1 1 100 100 LEU H H 1 7.517 0.020 . 1 . . . . 100 LEU H . 15762 1 1152 . 1 1 100 100 LEU HA H 1 4.273 0.020 . 1 . . . . 100 LEU HA . 15762 1 1153 . 1 1 100 100 LEU HB2 H 1 1.724 0.020 . 2 . . . . 100 LEU HB2 . 15762 1 1154 . 1 1 100 100 LEU HB3 H 1 1.713 0.020 . 2 . . . . 100 LEU HB3 . 15762 1 1155 . 1 1 100 100 LEU HD11 H 1 0.762 0.020 . 1 . . . . 100 LEU HD1 . 15762 1 1156 . 1 1 100 100 LEU HD12 H 1 0.762 0.020 . 1 . . . . 100 LEU HD1 . 15762 1 1157 . 1 1 100 100 LEU HD13 H 1 0.762 0.020 . 1 . . . . 100 LEU HD1 . 15762 1 1158 . 1 1 100 100 LEU HD21 H 1 0.658 0.020 . 1 . . . . 100 LEU HD2 . 15762 1 1159 . 1 1 100 100 LEU HD22 H 1 0.658 0.020 . 1 . . . . 100 LEU HD2 . 15762 1 1160 . 1 1 100 100 LEU HD23 H 1 0.658 0.020 . 1 . . . . 100 LEU HD2 . 15762 1 1161 . 1 1 100 100 LEU HG H 1 1.601 0.020 . 1 . . . . 100 LEU HG . 15762 1 1162 . 1 1 100 100 LEU C C 13 177.498 0.400 . 1 . . . . 100 LEU C . 15762 1 1163 . 1 1 100 100 LEU CA C 13 55.894 0.400 . 1 . . . . 100 LEU CA . 15762 1 1164 . 1 1 100 100 LEU CB C 13 41.989 0.400 . 1 . . . . 100 LEU CB . 15762 1 1165 . 1 1 100 100 LEU CD1 C 13 25.049 0.400 . 1 . . . . 100 LEU CD1 . 15762 1 1166 . 1 1 100 100 LEU CD2 C 13 23.919 0.400 . 1 . . . . 100 LEU CD2 . 15762 1 1167 . 1 1 100 100 LEU CG C 13 28.276 0.400 . 1 . . . . 100 LEU CG . 15762 1 1168 . 1 1 100 100 LEU N N 15 122.058 0.400 . 1 . . . . 100 LEU N . 15762 1 1169 . 1 1 101 101 ALA H H 1 8.036 0.020 . 1 . . . . 101 ALA H . 15762 1 1170 . 1 1 101 101 ALA HA H 1 4.310 0.020 . 1 . . . . 101 ALA HA . 15762 1 1171 . 1 1 101 101 ALA HB1 H 1 1.492 0.020 . 1 . . . . 101 ALA HB . 15762 1 1172 . 1 1 101 101 ALA HB2 H 1 1.492 0.020 . 1 . . . . 101 ALA HB . 15762 1 1173 . 1 1 101 101 ALA HB3 H 1 1.492 0.020 . 1 . . . . 101 ALA HB . 15762 1 1174 . 1 1 101 101 ALA C C 13 177.887 0.400 . 1 . . . . 101 ALA C . 15762 1 1175 . 1 1 101 101 ALA CA C 13 53.092 0.400 . 1 . . . . 101 ALA CA . 15762 1 1176 . 1 1 101 101 ALA CB C 13 18.331 0.400 . 1 . . . . 101 ALA CB . 15762 1 1177 . 1 1 101 101 ALA N N 15 121.922 0.400 . 1 . . . . 101 ALA N . 15762 1 1178 . 1 1 102 102 LEU H H 1 7.917 0.020 . 1 . . . . 102 LEU H . 15762 1 1179 . 1 1 102 102 LEU HA H 1 4.316 0.020 . 1 . . . . 102 LEU HA . 15762 1 1180 . 1 1 102 102 LEU HB2 H 1 1.699 0.020 . 2 . . . . 102 LEU HB2 . 15762 1 1181 . 1 1 102 102 LEU HB3 H 1 1.575 0.020 . 2 . . . . 102 LEU HB3 . 15762 1 1182 . 1 1 102 102 LEU HD11 H 1 0.917 0.020 . 2 . . . . 102 LEU HD1 . 15762 1 1183 . 1 1 102 102 LEU HD12 H 1 0.917 0.020 . 2 . . . . 102 LEU HD1 . 15762 1 1184 . 1 1 102 102 LEU HD13 H 1 0.917 0.020 . 2 . . . . 102 LEU HD1 . 15762 1 1185 . 1 1 102 102 LEU HD21 H 1 0.884 0.020 . 2 . . . . 102 LEU HD2 . 15762 1 1186 . 1 1 102 102 LEU HD22 H 1 0.884 0.020 . 2 . . . . 102 LEU HD2 . 15762 1 1187 . 1 1 102 102 LEU HD23 H 1 0.884 0.020 . 2 . . . . 102 LEU HD2 . 15762 1 1188 . 1 1 102 102 LEU HG H 1 1.538 0.020 . 1 . . . . 102 LEU HG . 15762 1 1189 . 1 1 102 102 LEU C C 13 177.606 0.400 . 1 . . . . 102 LEU C . 15762 1 1190 . 1 1 102 102 LEU CA C 13 55.426 0.400 . 1 . . . . 102 LEU CA . 15762 1 1191 . 1 1 102 102 LEU CB C 13 42.223 0.400 . 1 . . . . 102 LEU CB . 15762 1 1192 . 1 1 102 102 LEU CD1 C 13 25.107 0.400 . 1 . . . . 102 LEU CD1 . 15762 1 1193 . 1 1 102 102 LEU CD2 C 13 23.285 0.400 . 1 . . . . 102 LEU CD2 . 15762 1 1194 . 1 1 102 102 LEU CG C 13 25.045 0.400 . 1 . . . . 102 LEU CG . 15762 1 1195 . 1 1 102 102 LEU N N 15 119.372 0.400 . 1 . . . . 102 LEU N . 15762 1 1196 . 1 1 103 103 GLU H H 1 8.185 0.020 . 1 . . . . 103 GLU H . 15762 1 1197 . 1 1 103 103 GLU HA H 1 4.227 0.020 . 1 . . . . 103 GLU HA . 15762 1 1198 . 1 1 103 103 GLU HB2 H 1 2.007 0.020 . 2 . . . . 103 GLU HB2 . 15762 1 1199 . 1 1 103 103 GLU HB3 H 1 1.976 0.020 . 2 . . . . 103 GLU HB3 . 15762 1 1200 . 1 1 103 103 GLU HG2 H 1 2.290 0.020 . 2 . . . . 103 GLU HG2 . 15762 1 1201 . 1 1 103 103 GLU HG3 H 1 2.187 0.020 . 2 . . . . 103 GLU HG3 . 15762 1 1202 . 1 1 103 103 GLU CA C 13 56.776 0.400 . 1 . . . . 103 GLU CA . 15762 1 1203 . 1 1 103 103 GLU CB C 13 30.083 0.400 . 1 . . . . 103 GLU CB . 15762 1 1204 . 1 1 103 103 GLU CG C 13 36.010 0.400 . 1 . . . . 103 GLU CG . 15762 1 1205 . 1 1 103 103 GLU N N 15 120.281 0.400 . 1 . . . . 103 GLU N . 15762 1 stop_ save_