data_17267 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17267 _Entry.Title ; Solution Structure of an Uncharacterized Thioredoin-like Protein from Clostridium perfringens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-26 _Entry.Accession_date 2010-10-26 _Entry.Last_release_date 2010-11-08 _Entry.Original_release_date 2010-11-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 R. Harris R. . . 17267 2 R. Foti R. . . 17267 3 R. Seidel R. D. . 17267 4 J. Bonanno J. B. . 17267 5 J. Freeman J. . . 17267 6 K. Bain K. T. . 17267 7 J. Sauder J. M. . 17267 8 S. Burley S. K. . 17267 9 M. Girvin M. E. . 17267 10 S. Almo S. C. . 17267 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'New York SGX Research Center for Structural Genomics' . 17267 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York SGX Research Center for Structural Genomics' . 17267 'Protein Structure Initiative' . 17267 PSI-2 . 17267 'STRUCTURAL GENOMICS' . 17267 THIOREDOXIN-LIKE . 17267 'UNKNOWN FUNCTION' . 17267 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17267 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 552 17267 '15N chemical shifts' 129 17267 '1H chemical shifts' 891 17267 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 . . 2010-11-08 2010-10-26 original author . 17267 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L57 'BMRB Entry Tracking System' 17267 TargetDB NYSGXRC-11217h . 17267 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17267 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of an Uncharacterized Thioredoin-like Protein from Clostridium perfringens' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _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 R. Harris R. . . 17267 1 2 R. Foti R. . . 17267 1 3 R. Seidel R. D. . 17267 1 4 J. Bonanno J. B. . 17267 1 5 J. Freeman J. . . 17267 1 6 K. Bain K. T. . 17267 1 7 J. Sauder J. M. . 17267 1 8 S. Burley S. K. . 17267 1 9 M. Girvin M. E. . 17267 1 10 S. Almo S. C. . 17267 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17267 _Assembly.ID 1 _Assembly.Name 'uncharacterized thiredoxin-like protein' _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 'uncharacterized thiredoxin-like protein' 1 $uncharacterized_thiredoxin-like_protein A . yes native no no . . . 17267 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_uncharacterized_thiredoxin-like_protein _Entity.Sf_category entity _Entity.Sf_framecode uncharacterized_thiredoxin-like_protein _Entity.Entry_ID 17267 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name uncharacterized_thiredoxin-like_protein _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 ; MSLEGIKQINFQSINVVENL EEAKEGIPTIIMFKTDTCPY CVEMQKELSYVSKEREGKFN IYYARLEEEKNIDLAYKYDA NIVPTTVFLDKEGNKFYVHQ GLMRKNNIETILNSLGVKEG HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 3-118 in the construct correspond to residues 28-142 of Uniprot entry Q0TMB4' _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14739.896 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L57 . "Solution Structure Of An Uncharacterized Thioredoin-like Protein From Clostridium Perfringens" . . . . . 100.00 126 100.00 100.00 2.60e-86 . . . . 17267 1 2 no DBJ BAB82244 . "hypothetical protein [Clostridium perfringens str. 13]" . . . . . 92.06 144 98.28 100.00 1.22e-76 . . . . 17267 1 3 no EMBL CUO58703 . "thioredoxin family protein [Clostridium perfringens]" . . . . . 92.06 142 97.41 99.14 2.06e-75 . . . . 17267 1 4 no GB ABG83276 . "hypothetical protein CPF_2862 [Clostridium perfringens ATCC 13124]" . . . . . 92.06 142 99.14 100.00 9.41e-77 . . . . 17267 1 5 no GB ABG85509 . "hypothetical protein CPR_2547 [Clostridium perfringens SM101]" . . . . . 92.06 142 99.14 100.00 1.16e-76 . . . . 17267 1 6 no GB ALG50133 . "hypothetical protein FORC3_2756 [Clostridium perfringens]" . . . . . 92.06 142 98.28 100.00 1.41e-76 . . . . 17267 1 7 no GB EDS80627 . "hypothetical protein CPC_2928 [Clostridium perfringens C str. JGS1495]" . . . . . 92.06 142 97.41 99.14 2.06e-75 . . . . 17267 1 8 no GB EDT15421 . "hypothetical protein AC3_3171 [Clostridium perfringens E str. JGS1987]" . . . . . 92.06 142 99.14 100.00 9.41e-77 . . . . 17267 1 9 no REF WP_003450575 . "hypothetical protein [Clostridium perfringens]" . . . . . 92.06 142 97.41 99.14 2.06e-75 . . . . 17267 1 10 no REF WP_003456683 . "hypothetical protein [Clostridium perfringens]" . . . . . 92.06 142 99.14 100.00 9.41e-77 . . . . 17267 1 11 no REF WP_003473610 . "hypothetical protein [Clostridium perfringens]" . . . . . 92.06 142 98.28 100.00 1.41e-76 . . . . 17267 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 . 17267 1 2 . SER . 17267 1 3 . LEU . 17267 1 4 . GLU . 17267 1 5 . GLY . 17267 1 6 . ILE . 17267 1 7 . LYS . 17267 1 8 . GLN . 17267 1 9 . ILE . 17267 1 10 . ASN . 17267 1 11 . PHE . 17267 1 12 . GLN . 17267 1 13 . SER . 17267 1 14 . ILE . 17267 1 15 . ASN . 17267 1 16 . VAL . 17267 1 17 . VAL . 17267 1 18 . GLU . 17267 1 19 . ASN . 17267 1 20 . LEU . 17267 1 21 . GLU . 17267 1 22 . GLU . 17267 1 23 . ALA . 17267 1 24 . LYS . 17267 1 25 . GLU . 17267 1 26 . GLY . 17267 1 27 . ILE . 17267 1 28 . PRO . 17267 1 29 . THR . 17267 1 30 . ILE . 17267 1 31 . ILE . 17267 1 32 . MET . 17267 1 33 . PHE . 17267 1 34 . LYS . 17267 1 35 . THR . 17267 1 36 . ASP . 17267 1 37 . THR . 17267 1 38 . CYS . 17267 1 39 . PRO . 17267 1 40 . TYR . 17267 1 41 . CYS . 17267 1 42 . VAL . 17267 1 43 . GLU . 17267 1 44 . MET . 17267 1 45 . GLN . 17267 1 46 . LYS . 17267 1 47 . GLU . 17267 1 48 . LEU . 17267 1 49 . SER . 17267 1 50 . TYR . 17267 1 51 . VAL . 17267 1 52 . SER . 17267 1 53 . LYS . 17267 1 54 . GLU . 17267 1 55 . ARG . 17267 1 56 . GLU . 17267 1 57 . GLY . 17267 1 58 . LYS . 17267 1 59 . PHE . 17267 1 60 . ASN . 17267 1 61 . ILE . 17267 1 62 . TYR . 17267 1 63 . TYR . 17267 1 64 . ALA . 17267 1 65 . ARG . 17267 1 66 . LEU . 17267 1 67 . GLU . 17267 1 68 . GLU . 17267 1 69 . GLU . 17267 1 70 . LYS . 17267 1 71 . ASN . 17267 1 72 . ILE . 17267 1 73 . ASP . 17267 1 74 . LEU . 17267 1 75 . ALA . 17267 1 76 . TYR . 17267 1 77 . LYS . 17267 1 78 . TYR . 17267 1 79 . ASP . 17267 1 80 . ALA . 17267 1 81 . ASN . 17267 1 82 . ILE . 17267 1 83 . VAL . 17267 1 84 . PRO . 17267 1 85 . THR . 17267 1 86 . THR . 17267 1 87 . VAL . 17267 1 88 . PHE . 17267 1 89 . LEU . 17267 1 90 . ASP . 17267 1 91 . LYS . 17267 1 92 . GLU . 17267 1 93 . GLY . 17267 1 94 . ASN . 17267 1 95 . LYS . 17267 1 96 . PHE . 17267 1 97 . TYR . 17267 1 98 . VAL . 17267 1 99 . HIS . 17267 1 100 . GLN . 17267 1 101 . GLY . 17267 1 102 . LEU . 17267 1 103 . MET . 17267 1 104 . ARG . 17267 1 105 . LYS . 17267 1 106 . ASN . 17267 1 107 . ASN . 17267 1 108 . ILE . 17267 1 109 . GLU . 17267 1 110 . THR . 17267 1 111 . ILE . 17267 1 112 . LEU . 17267 1 113 . ASN . 17267 1 114 . SER . 17267 1 115 . LEU . 17267 1 116 . GLY . 17267 1 117 . VAL . 17267 1 118 . LYS . 17267 1 119 . GLU . 17267 1 120 . GLY . 17267 1 121 . HIS . 17267 1 122 . HIS . 17267 1 123 . HIS . 17267 1 124 . HIS . 17267 1 125 . HIS . 17267 1 126 . HIS . 17267 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 17267 1 . SER 2 2 17267 1 . LEU 3 3 17267 1 . GLU 4 4 17267 1 . GLY 5 5 17267 1 . ILE 6 6 17267 1 . LYS 7 7 17267 1 . GLN 8 8 17267 1 . ILE 9 9 17267 1 . ASN 10 10 17267 1 . PHE 11 11 17267 1 . GLN 12 12 17267 1 . SER 13 13 17267 1 . ILE 14 14 17267 1 . ASN 15 15 17267 1 . VAL 16 16 17267 1 . VAL 17 17 17267 1 . GLU 18 18 17267 1 . ASN 19 19 17267 1 . LEU 20 20 17267 1 . GLU 21 21 17267 1 . GLU 22 22 17267 1 . ALA 23 23 17267 1 . LYS 24 24 17267 1 . GLU 25 25 17267 1 . GLY 26 26 17267 1 . ILE 27 27 17267 1 . PRO 28 28 17267 1 . THR 29 29 17267 1 . ILE 30 30 17267 1 . ILE 31 31 17267 1 . MET 32 32 17267 1 . PHE 33 33 17267 1 . LYS 34 34 17267 1 . THR 35 35 17267 1 . ASP 36 36 17267 1 . THR 37 37 17267 1 . CYS 38 38 17267 1 . PRO 39 39 17267 1 . TYR 40 40 17267 1 . CYS 41 41 17267 1 . VAL 42 42 17267 1 . GLU 43 43 17267 1 . MET 44 44 17267 1 . GLN 45 45 17267 1 . LYS 46 46 17267 1 . GLU 47 47 17267 1 . LEU 48 48 17267 1 . SER 49 49 17267 1 . TYR 50 50 17267 1 . VAL 51 51 17267 1 . SER 52 52 17267 1 . LYS 53 53 17267 1 . GLU 54 54 17267 1 . ARG 55 55 17267 1 . GLU 56 56 17267 1 . GLY 57 57 17267 1 . LYS 58 58 17267 1 . PHE 59 59 17267 1 . ASN 60 60 17267 1 . ILE 61 61 17267 1 . TYR 62 62 17267 1 . TYR 63 63 17267 1 . ALA 64 64 17267 1 . ARG 65 65 17267 1 . LEU 66 66 17267 1 . GLU 67 67 17267 1 . GLU 68 68 17267 1 . GLU 69 69 17267 1 . LYS 70 70 17267 1 . ASN 71 71 17267 1 . ILE 72 72 17267 1 . ASP 73 73 17267 1 . LEU 74 74 17267 1 . ALA 75 75 17267 1 . TYR 76 76 17267 1 . LYS 77 77 17267 1 . TYR 78 78 17267 1 . ASP 79 79 17267 1 . ALA 80 80 17267 1 . ASN 81 81 17267 1 . ILE 82 82 17267 1 . VAL 83 83 17267 1 . PRO 84 84 17267 1 . THR 85 85 17267 1 . THR 86 86 17267 1 . VAL 87 87 17267 1 . PHE 88 88 17267 1 . LEU 89 89 17267 1 . ASP 90 90 17267 1 . LYS 91 91 17267 1 . GLU 92 92 17267 1 . GLY 93 93 17267 1 . ASN 94 94 17267 1 . LYS 95 95 17267 1 . PHE 96 96 17267 1 . TYR 97 97 17267 1 . VAL 98 98 17267 1 . HIS 99 99 17267 1 . GLN 100 100 17267 1 . GLY 101 101 17267 1 . LEU 102 102 17267 1 . MET 103 103 17267 1 . ARG 104 104 17267 1 . LYS 105 105 17267 1 . ASN 106 106 17267 1 . ASN 107 107 17267 1 . ILE 108 108 17267 1 . GLU 109 109 17267 1 . THR 110 110 17267 1 . ILE 111 111 17267 1 . LEU 112 112 17267 1 . ASN 113 113 17267 1 . SER 114 114 17267 1 . LEU 115 115 17267 1 . GLY 116 116 17267 1 . VAL 117 117 17267 1 . LYS 118 118 17267 1 . GLU 119 119 17267 1 . GLY 120 120 17267 1 . HIS 121 121 17267 1 . HIS 122 122 17267 1 . HIS 123 123 17267 1 . HIS 124 124 17267 1 . HIS 125 125 17267 1 . HIS 126 126 17267 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 17267 _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 $uncharacterized_thiredoxin-like_protein . 1502 organism . 'Clostridium perfringens' 'Clostridium perfringens' . . Bacteria . Clostridium perfringens . . . . . . . . . . . . . . . . CPF_2862 . . . . 17267 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 17267 _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 $uncharacterized_thiredoxin-like_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 17267 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17267 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT' _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 'uncharacterized thiredoxin-like protein' '[U-100% 13C; U-100% 15N]' . . 1 $uncharacterized_thiredoxin-like_protein . . 1 . . mM . . . . 17267 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17267 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17267 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17267 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17267 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17267 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17267 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pD6.4, 1mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'uncharacterized thiredoxin-like protein' '[U-100% 13C; U-100% 15N]' . . 1 $uncharacterized_thiredoxin-like_protein . . 1 . . mM . . . . 17267 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17267 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17267 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17267 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17267 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 17267 _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' 50 . mM 17267 1 pH 6.8 . pH 17267 1 pressure 1 . atm 17267 1 temperature 298 . K 17267 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17267 _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 A. T. et.al.' . . 17267 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17267 1 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 17267 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17267 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17267 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17267 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 17267 1 2 spectrometer_2 Bruker Avance . 600 . . . 17267 1 3 spectrometer_3 Bruker Avance . 800 . . . 17267 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 17267 _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 '15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17267 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17267 1 3 '13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17267 1 4 'aromatic 13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17267 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17267 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17267 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17267 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17267 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17267 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17267 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17267 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17267 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 17267 _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 . . . . . . . . . 17267 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17267 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17267 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 17267 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N HSQC' . . . 17267 1 3 '13C HSQC' . . . 17267 1 4 'aromatic 13C HSQC' . . . 17267 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.121 0.000 . 1 . . . . 2 Ser HA . 17267 1 2 . 1 1 2 2 SER HB2 H 1 4.002 0.000 . 1 . . . . 2 Ser HB2 . 17267 1 3 . 1 1 2 2 SER HB3 H 1 4.002 0.000 . 1 . . . . 2 Ser HB3 . 17267 1 4 . 1 1 2 2 SER CA C 13 57.409 0.000 . 1 . . . . 2 Ser CA . 17267 1 5 . 1 1 2 2 SER CB C 13 63.634 0.000 . 1 . . . . 2 Ser CB . 17267 1 6 . 1 1 3 3 LEU HA H 1 4.421 0.005 . 1 . . . . 3 Leu HA . 17267 1 7 . 1 1 3 3 LEU HB2 H 1 1.676 0.020 . 1 . . . . 3 Leu HB2 . 17267 1 8 . 1 1 3 3 LEU HB3 H 1 1.676 0.020 . 1 . . . . 3 Leu HB3 . 17267 1 9 . 1 1 3 3 LEU HD11 H 1 0.964 0.002 . 2 . . . . 3 Leu HD11 . 17267 1 10 . 1 1 3 3 LEU HD12 H 1 0.964 0.002 . 2 . . . . 3 Leu HD12 . 17267 1 11 . 1 1 3 3 LEU HD13 H 1 0.964 0.002 . 2 . . . . 3 Leu HD13 . 17267 1 12 . 1 1 3 3 LEU HD21 H 1 0.924 0.004 . 2 . . . . 3 Leu HD21 . 17267 1 13 . 1 1 3 3 LEU HD22 H 1 0.924 0.004 . 2 . . . . 3 Leu HD22 . 17267 1 14 . 1 1 3 3 LEU HD23 H 1 0.924 0.004 . 2 . . . . 3 Leu HD23 . 17267 1 15 . 1 1 3 3 LEU HG H 1 1.673 0.002 . 1 . . . . 3 Leu HG . 17267 1 16 . 1 1 3 3 LEU C C 13 177.431 0.000 . 1 . . . . 3 Leu C . 17267 1 17 . 1 1 3 3 LEU CA C 13 55.600 0.057 . 1 . . . . 3 Leu CA . 17267 1 18 . 1 1 3 3 LEU CB C 13 42.202 0.105 . 1 . . . . 3 Leu CB . 17267 1 19 . 1 1 3 3 LEU CD1 C 13 24.958 0.000 . 2 . . . . 3 Leu CD1 . 17267 1 20 . 1 1 3 3 LEU CD2 C 13 23.618 0.019 . 2 . . . . 3 Leu CD2 . 17267 1 21 . 1 1 3 3 LEU CG C 13 27.091 0.011 . 1 . . . . 3 Leu CG . 17267 1 22 . 1 1 4 4 GLU H H 1 8.561 0.006 . 1 . . . . 4 Glu H . 17267 1 23 . 1 1 4 4 GLU HA H 1 4.277 0.004 . 1 . . . . 4 Glu HA . 17267 1 24 . 1 1 4 4 GLU HB2 H 1 2.065 0.000 . 2 . . . . 4 Glu HB2 . 17267 1 25 . 1 1 4 4 GLU HB3 H 1 1.983 0.011 . 2 . . . . 4 Glu HB3 . 17267 1 26 . 1 1 4 4 GLU HG2 H 1 2.326 0.012 . 1 . . . . 4 Glu HG2 . 17267 1 27 . 1 1 4 4 GLU HG3 H 1 2.326 0.012 . 1 . . . . 4 Glu HG3 . 17267 1 28 . 1 1 4 4 GLU C C 13 177.196 0.014 . 1 . . . . 4 Glu C . 17267 1 29 . 1 1 4 4 GLU CA C 13 57.197 0.045 . 1 . . . . 4 Glu CA . 17267 1 30 . 1 1 4 4 GLU CB C 13 30.276 0.074 . 1 . . . . 4 Glu CB . 17267 1 31 . 1 1 4 4 GLU CG C 13 36.427 0.035 . 1 . . . . 4 Glu CG . 17267 1 32 . 1 1 4 4 GLU N N 15 121.661 0.052 . 1 . . . . 4 Glu N . 17267 1 33 . 1 1 5 5 GLY H H 1 8.428 0.008 . 1 . . . . 5 Gly H . 17267 1 34 . 1 1 5 5 GLY HA2 H 1 3.968 0.001 . 1 . . . . 5 Gly HA2 . 17267 1 35 . 1 1 5 5 GLY HA3 H 1 3.968 0.001 . 1 . . . . 5 Gly HA3 . 17267 1 36 . 1 1 5 5 GLY C C 13 174.314 0.010 . 1 . . . . 5 Gly C . 17267 1 37 . 1 1 5 5 GLY CA C 13 45.499 0.065 . 1 . . . . 5 Gly CA . 17267 1 38 . 1 1 5 5 GLY N N 15 109.875 0.039 . 1 . . . . 5 Gly N . 17267 1 39 . 1 1 6 6 ILE H H 1 7.957 0.013 . 1 . . . . 6 Ile H . 17267 1 40 . 1 1 6 6 ILE HA H 1 4.182 0.004 . 1 . . . . 6 Ile HA . 17267 1 41 . 1 1 6 6 ILE HB H 1 1.908 0.003 . 1 . . . . 6 Ile HB . 17267 1 42 . 1 1 6 6 ILE HD11 H 1 0.892 0.013 . 1 . . . . 6 Ile HD11 . 17267 1 43 . 1 1 6 6 ILE HD12 H 1 0.892 0.013 . 1 . . . . 6 Ile HD12 . 17267 1 44 . 1 1 6 6 ILE HD13 H 1 0.892 0.013 . 1 . . . . 6 Ile HD13 . 17267 1 45 . 1 1 6 6 ILE HG12 H 1 1.480 0.007 . 2 . . . . 6 Ile HG12 . 17267 1 46 . 1 1 6 6 ILE HG13 H 1 1.227 0.004 . 2 . . . . 6 Ile HG13 . 17267 1 47 . 1 1 6 6 ILE HG21 H 1 0.928 0.006 . 1 . . . . 6 Ile HG21 . 17267 1 48 . 1 1 6 6 ILE HG22 H 1 0.928 0.006 . 1 . . . . 6 Ile HG22 . 17267 1 49 . 1 1 6 6 ILE HG23 H 1 0.928 0.006 . 1 . . . . 6 Ile HG23 . 17267 1 50 . 1 1 6 6 ILE C C 13 176.486 0.016 . 1 . . . . 6 Ile C . 17267 1 51 . 1 1 6 6 ILE CA C 13 61.224 0.069 . 1 . . . . 6 Ile CA . 17267 1 52 . 1 1 6 6 ILE CB C 13 38.674 0.043 . 1 . . . . 6 Ile CB . 17267 1 53 . 1 1 6 6 ILE CD1 C 13 13.017 0.017 . 1 . . . . 6 Ile CD1 . 17267 1 54 . 1 1 6 6 ILE CG1 C 13 27.399 0.043 . 1 . . . . 6 Ile CG1 . 17267 1 55 . 1 1 6 6 ILE CG2 C 13 17.612 0.011 . 1 . . . . 6 Ile CG2 . 17267 1 56 . 1 1 6 6 ILE N N 15 120.216 0.096 . 1 . . . . 6 Ile N . 17267 1 57 . 1 1 7 7 LYS H H 1 8.378 0.009 . 1 . . . . 7 Lys H . 17267 1 58 . 1 1 7 7 LYS HA H 1 4.336 0.004 . 1 . . . . 7 Lys HA . 17267 1 59 . 1 1 7 7 LYS HB2 H 1 1.816 0.009 . 2 . . . . 7 Lys HB2 . 17267 1 60 . 1 1 7 7 LYS HB3 H 1 1.809 0.009 . 2 . . . . 7 Lys HB3 . 17267 1 61 . 1 1 7 7 LYS HD2 H 1 1.705 0.000 . 1 . . . . 7 Lys HD2 . 17267 1 62 . 1 1 7 7 LYS HD3 H 1 1.705 0.000 . 1 . . . . 7 Lys HD3 . 17267 1 63 . 1 1 7 7 LYS HE2 H 1 3.023 0.000 . 1 . . . . 7 Lys HE2 . 17267 1 64 . 1 1 7 7 LYS HE3 H 1 3.023 0.000 . 1 . . . . 7 Lys HE3 . 17267 1 65 . 1 1 7 7 LYS HG2 H 1 1.435 0.008 . 1 . . . . 7 Lys HG2 . 17267 1 66 . 1 1 7 7 LYS HG3 H 1 1.435 0.008 . 1 . . . . 7 Lys HG3 . 17267 1 67 . 1 1 7 7 LYS C C 13 176.434 0.000 . 1 . . . . 7 Lys C . 17267 1 68 . 1 1 7 7 LYS CA C 13 56.372 0.067 . 1 . . . . 7 Lys CA . 17267 1 69 . 1 1 7 7 LYS CB C 13 33.050 0.061 . 1 . . . . 7 Lys CB . 17267 1 70 . 1 1 7 7 LYS CD C 13 28.978 0.000 . 1 . . . . 7 Lys CD . 17267 1 71 . 1 1 7 7 LYS CE C 13 42.169 0.000 . 1 . . . . 7 Lys CE . 17267 1 72 . 1 1 7 7 LYS CG C 13 24.914 0.000 . 1 . . . . 7 Lys CG . 17267 1 73 . 1 1 7 7 LYS N N 15 125.414 0.049 . 1 . . . . 7 Lys N . 17267 1 74 . 1 1 8 8 GLN H H 1 8.375 0.008 . 1 . . . . 8 Gln H . 17267 1 75 . 1 1 8 8 GLN HA H 1 4.332 0.007 . 1 . . . . 8 Gln HA . 17267 1 76 . 1 1 8 8 GLN HB2 H 1 2.085 0.005 . 2 . . . . 8 Gln HB2 . 17267 1 77 . 1 1 8 8 GLN HB3 H 1 1.999 0.003 . 2 . . . . 8 Gln HB3 . 17267 1 78 . 1 1 8 8 GLN HE21 H 1 7.535 0.006 . 1 . . . . 8 Gln HE21 . 17267 1 79 . 1 1 8 8 GLN HE22 H 1 6.860 0.002 . 1 . . . . 8 Gln HE22 . 17267 1 80 . 1 1 8 8 GLN HG2 H 1 2.357 0.001 . 1 . . . . 8 Gln HG2 . 17267 1 81 . 1 1 8 8 GLN HG3 H 1 2.357 0.001 . 1 . . . . 8 Gln HG3 . 17267 1 82 . 1 1 8 8 GLN C C 13 175.912 0.000 . 1 . . . . 8 Gln C . 17267 1 83 . 1 1 8 8 GLN CA C 13 55.830 0.087 . 1 . . . . 8 Gln CA . 17267 1 84 . 1 1 8 8 GLN CB C 13 29.508 0.082 . 1 . . . . 8 Gln CB . 17267 1 85 . 1 1 8 8 GLN CG C 13 33.792 0.000 . 1 . . . . 8 Gln CG . 17267 1 86 . 1 1 8 8 GLN N N 15 122.180 0.047 . 1 . . . . 8 Gln N . 17267 1 87 . 1 1 8 8 GLN NE2 N 15 112.020 0.070 . 1 . . . . 8 Gln NE2 . 17267 1 88 . 1 1 9 9 ILE H H 1 8.195 0.009 . 1 . . . . 9 Ile H . 17267 1 89 . 1 1 9 9 ILE HA H 1 4.108 0.004 . 1 . . . . 9 Ile HA . 17267 1 90 . 1 1 9 9 ILE HB H 1 1.783 0.004 . 1 . . . . 9 Ile HB . 17267 1 91 . 1 1 9 9 ILE HD11 H 1 0.856 0.003 . 1 . . . . 9 Ile HD11 . 17267 1 92 . 1 1 9 9 ILE HD12 H 1 0.856 0.003 . 1 . . . . 9 Ile HD12 . 17267 1 93 . 1 1 9 9 ILE HD13 H 1 0.856 0.003 . 1 . . . . 9 Ile HD13 . 17267 1 94 . 1 1 9 9 ILE HG12 H 1 1.430 0.004 . 2 . . . . 9 Ile HG12 . 17267 1 95 . 1 1 9 9 ILE HG13 H 1 1.147 0.004 . 2 . . . . 9 Ile HG13 . 17267 1 96 . 1 1 9 9 ILE HG21 H 1 0.778 0.018 . 1 . . . . 9 Ile HG21 . 17267 1 97 . 1 1 9 9 ILE HG22 H 1 0.778 0.018 . 1 . . . . 9 Ile HG22 . 17267 1 98 . 1 1 9 9 ILE HG23 H 1 0.778 0.018 . 1 . . . . 9 Ile HG23 . 17267 1 99 . 1 1 9 9 ILE C C 13 175.748 0.000 . 1 . . . . 9 Ile C . 17267 1 100 . 1 1 9 9 ILE CA C 13 61.174 0.068 . 1 . . . . 9 Ile CA . 17267 1 101 . 1 1 9 9 ILE CB C 13 38.909 0.043 . 1 . . . . 9 Ile CB . 17267 1 102 . 1 1 9 9 ILE CD1 C 13 13.076 0.003 . 1 . . . . 9 Ile CD1 . 17267 1 103 . 1 1 9 9 ILE CG1 C 13 27.337 0.026 . 1 . . . . 9 Ile CG1 . 17267 1 104 . 1 1 9 9 ILE CG2 C 13 17.562 0.028 . 1 . . . . 9 Ile CG2 . 17267 1 105 . 1 1 9 9 ILE N N 15 122.337 0.039 . 1 . . . . 9 Ile N . 17267 1 106 . 1 1 10 10 ASN H H 1 8.412 0.008 . 1 . . . . 10 Asn H . 17267 1 107 . 1 1 10 10 ASN HA H 1 4.723 0.001 . 1 . . . . 10 Asn HA . 17267 1 108 . 1 1 10 10 ASN HB2 H 1 2.812 0.003 . 2 . . . . 10 Asn HB2 . 17267 1 109 . 1 1 10 10 ASN HB3 H 1 2.729 0.004 . 2 . . . . 10 Asn HB3 . 17267 1 110 . 1 1 10 10 ASN HD21 H 1 6.923 0.001 . 1 . . . . 10 Asn HD21 . 17267 1 111 . 1 1 10 10 ASN HD22 H 1 7.598 0.002 . 1 . . . . 10 Asn HD22 . 17267 1 112 . 1 1 10 10 ASN C C 13 175.409 0.000 . 1 . . . . 10 Asn C . 17267 1 113 . 1 1 10 10 ASN CA C 13 52.904 0.075 . 1 . . . . 10 Asn CA . 17267 1 114 . 1 1 10 10 ASN CB C 13 38.834 0.081 . 1 . . . . 10 Asn CB . 17267 1 115 . 1 1 10 10 ASN N N 15 122.448 0.065 . 1 . . . . 10 Asn N . 17267 1 116 . 1 1 10 10 ASN ND2 N 15 112.577 0.014 . 1 . . . . 10 Asn ND2 . 17267 1 117 . 1 1 11 11 PHE H H 1 8.266 0.010 . 1 . . . . 11 Phe H . 17267 1 118 . 1 1 11 11 PHE HA H 1 4.605 0.003 . 1 . . . . 11 Phe HA . 17267 1 119 . 1 1 11 11 PHE HB2 H 1 3.218 0.006 . 2 . . . . 11 Phe HB2 . 17267 1 120 . 1 1 11 11 PHE HB3 H 1 3.071 0.006 . 2 . . . . 11 Phe HB3 . 17267 1 121 . 1 1 11 11 PHE HD1 H 1 7.246 0.004 . 3 . . . . 11 Phe HD1 . 17267 1 122 . 1 1 11 11 PHE HD2 H 1 7.246 0.004 . 3 . . . . 11 Phe HD2 . 17267 1 123 . 1 1 11 11 PHE HE1 H 1 7.361 0.002 . 3 . . . . 11 Phe HE1 . 17267 1 124 . 1 1 11 11 PHE HE2 H 1 7.361 0.002 . 3 . . . . 11 Phe HE2 . 17267 1 125 . 1 1 11 11 PHE HZ H 1 7.311 0.000 . 1 . . . . 11 Phe HZ . 17267 1 126 . 1 1 11 11 PHE C C 13 176.099 0.018 . 1 . . . . 11 Phe C . 17267 1 127 . 1 1 11 11 PHE CA C 13 58.254 0.073 . 1 . . . . 11 Phe CA . 17267 1 128 . 1 1 11 11 PHE CB C 13 39.132 0.037 . 1 . . . . 11 Phe CB . 17267 1 129 . 1 1 11 11 PHE CD1 C 13 131.966 0.126 . 3 . . . . 11 Phe CD1 . 17267 1 130 . 1 1 11 11 PHE CD2 C 13 131.966 0.126 . 3 . . . . 11 Phe CD2 . 17267 1 131 . 1 1 11 11 PHE CE1 C 13 131.601 0.000 . 3 . . . . 11 Phe CE1 . 17267 1 132 . 1 1 11 11 PHE CE2 C 13 131.601 0.000 . 3 . . . . 11 Phe CE2 . 17267 1 133 . 1 1 11 11 PHE CZ C 13 130.137 0.000 . 1 . . . . 11 Phe CZ . 17267 1 134 . 1 1 11 11 PHE N N 15 121.339 0.046 . 1 . . . . 11 Phe N . 17267 1 135 . 1 1 12 12 GLN H H 1 8.336 0.010 . 1 . . . . 12 Gln H . 17267 1 136 . 1 1 12 12 GLN HA H 1 4.323 0.004 . 1 . . . . 12 Gln HA . 17267 1 137 . 1 1 12 12 GLN HB2 H 1 2.149 0.008 . 1 . . . . 12 Gln HB2 . 17267 1 138 . 1 1 12 12 GLN HB3 H 1 2.149 0.008 . 1 . . . . 12 Gln HB3 . 17267 1 139 . 1 1 12 12 GLN HE21 H 1 7.580 0.006 . 1 . . . . 12 Gln HE21 . 17267 1 140 . 1 1 12 12 GLN HE22 H 1 6.907 0.005 . 1 . . . . 12 Gln HE22 . 17267 1 141 . 1 1 12 12 GLN HG2 H 1 2.343 0.003 . 1 . . . . 12 Gln HG2 . 17267 1 142 . 1 1 12 12 GLN HG3 H 1 2.343 0.003 . 1 . . . . 12 Gln HG3 . 17267 1 143 . 1 1 12 12 GLN C C 13 176.028 0.006 . 1 . . . . 12 Gln C . 17267 1 144 . 1 1 12 12 GLN CA C 13 56.580 0.071 . 1 . . . . 12 Gln CA . 17267 1 145 . 1 1 12 12 GLN CB C 13 29.402 0.054 . 1 . . . . 12 Gln CB . 17267 1 146 . 1 1 12 12 GLN CG C 13 34.058 0.030 . 1 . . . . 12 Gln CG . 17267 1 147 . 1 1 12 12 GLN N N 15 120.198 0.051 . 1 . . . . 12 Gln N . 17267 1 148 . 1 1 12 12 GLN NE2 N 15 112.546 0.064 . 1 . . . . 12 Gln NE2 . 17267 1 149 . 1 1 13 13 SER H H 1 8.214 0.009 . 1 . . . . 13 Ser H . 17267 1 150 . 1 1 13 13 SER HA H 1 4.592 0.007 . 1 . . . . 13 Ser HA . 17267 1 151 . 1 1 13 13 SER HB2 H 1 3.935 0.007 . 2 . . . . 13 Ser HB2 . 17267 1 152 . 1 1 13 13 SER HB3 H 1 3.892 0.010 . 2 . . . . 13 Ser HB3 . 17267 1 153 . 1 1 13 13 SER C C 13 174.983 0.000 . 1 . . . . 13 Ser C . 17267 1 154 . 1 1 13 13 SER CA C 13 57.970 0.090 . 1 . . . . 13 Ser CA . 17267 1 155 . 1 1 13 13 SER CB C 13 63.929 0.049 . 1 . . . . 13 Ser CB . 17267 1 156 . 1 1 13 13 SER N N 15 115.930 0.054 . 1 . . . . 13 Ser N . 17267 1 157 . 1 1 14 14 ILE H H 1 7.819 0.010 . 1 . . . . 14 Ile H . 17267 1 158 . 1 1 14 14 ILE HA H 1 3.878 0.005 . 1 . . . . 14 Ile HA . 17267 1 159 . 1 1 14 14 ILE HB H 1 1.746 0.004 . 1 . . . . 14 Ile HB . 17267 1 160 . 1 1 14 14 ILE HD11 H 1 0.917 0.005 . 1 . . . . 14 Ile HD11 . 17267 1 161 . 1 1 14 14 ILE HD12 H 1 0.917 0.005 . 1 . . . . 14 Ile HD12 . 17267 1 162 . 1 1 14 14 ILE HD13 H 1 0.917 0.005 . 1 . . . . 14 Ile HD13 . 17267 1 163 . 1 1 14 14 ILE HG12 H 1 1.632 0.008 . 2 . . . . 14 Ile HG12 . 17267 1 164 . 1 1 14 14 ILE HG13 H 1 1.216 0.004 . 2 . . . . 14 Ile HG13 . 17267 1 165 . 1 1 14 14 ILE HG21 H 1 0.823 0.004 . 1 . . . . 14 Ile HG21 . 17267 1 166 . 1 1 14 14 ILE HG22 H 1 0.823 0.004 . 1 . . . . 14 Ile HG22 . 17267 1 167 . 1 1 14 14 ILE HG23 H 1 0.823 0.004 . 1 . . . . 14 Ile HG23 . 17267 1 168 . 1 1 14 14 ILE C C 13 176.527 0.000 . 1 . . . . 14 Ile C . 17267 1 169 . 1 1 14 14 ILE CA C 13 63.215 0.079 . 1 . . . . 14 Ile CA . 17267 1 170 . 1 1 14 14 ILE CB C 13 37.645 0.043 . 1 . . . . 14 Ile CB . 17267 1 171 . 1 1 14 14 ILE CD1 C 13 13.329 0.024 . 1 . . . . 14 Ile CD1 . 17267 1 172 . 1 1 14 14 ILE CG1 C 13 28.125 0.023 . 1 . . . . 14 Ile CG1 . 17267 1 173 . 1 1 14 14 ILE CG2 C 13 17.914 0.018 . 1 . . . . 14 Ile CG2 . 17267 1 174 . 1 1 14 14 ILE N N 15 124.318 0.047 . 1 . . . . 14 Ile N . 17267 1 175 . 1 1 15 15 ASN H H 1 8.804 0.009 . 1 . . . . 15 Asn H . 17267 1 176 . 1 1 15 15 ASN HA H 1 4.356 0.005 . 1 . . . . 15 Asn HA . 17267 1 177 . 1 1 15 15 ASN HB2 H 1 3.142 0.007 . 1 . . . . 15 Asn HB2 . 17267 1 178 . 1 1 15 15 ASN HB3 H 1 3.143 0.007 . 1 . . . . 15 Asn HB3 . 17267 1 179 . 1 1 15 15 ASN HD21 H 1 4.398 0.005 . 1 . . . . 15 Asn HD21 . 17267 1 180 . 1 1 15 15 ASN HD22 H 1 6.120 0.009 . 1 . . . . 15 Asn HD22 . 17267 1 181 . 1 1 15 15 ASN C C 13 174.405 0.000 . 1 . . . . 15 Asn C . 17267 1 182 . 1 1 15 15 ASN CA C 13 55.181 0.100 . 1 . . . . 15 Asn CA . 17267 1 183 . 1 1 15 15 ASN CB C 13 35.864 0.058 . 1 . . . . 15 Asn CB . 17267 1 184 . 1 1 15 15 ASN N N 15 118.564 0.048 . 1 . . . . 15 Asn N . 17267 1 185 . 1 1 15 15 ASN ND2 N 15 103.904 0.058 . 1 . . . . 15 Asn ND2 . 17267 1 186 . 1 1 16 16 VAL H H 1 7.577 0.008 . 1 . . . . 16 Val H . 17267 1 187 . 1 1 16 16 VAL HA H 1 4.606 0.006 . 1 . . . . 16 Val HA . 17267 1 188 . 1 1 16 16 VAL HB H 1 2.059 0.005 . 1 . . . . 16 Val HB . 17267 1 189 . 1 1 16 16 VAL HG11 H 1 0.963 0.010 . 2 . . . . 16 Val HG11 . 17267 1 190 . 1 1 16 16 VAL HG12 H 1 0.963 0.010 . 2 . . . . 16 Val HG12 . 17267 1 191 . 1 1 16 16 VAL HG13 H 1 0.963 0.010 . 2 . . . . 16 Val HG13 . 17267 1 192 . 1 1 16 16 VAL HG21 H 1 0.981 0.005 . 2 . . . . 16 Val HG21 . 17267 1 193 . 1 1 16 16 VAL HG22 H 1 0.981 0.005 . 2 . . . . 16 Val HG22 . 17267 1 194 . 1 1 16 16 VAL HG23 H 1 0.981 0.005 . 2 . . . . 16 Val HG23 . 17267 1 195 . 1 1 16 16 VAL C C 13 177.241 0.017 . 1 . . . . 16 Val C . 17267 1 196 . 1 1 16 16 VAL CA C 13 62.914 0.080 . 1 . . . . 16 Val CA . 17267 1 197 . 1 1 16 16 VAL CB C 13 32.516 0.083 . 1 . . . . 16 Val CB . 17267 1 198 . 1 1 16 16 VAL CG1 C 13 22.125 0.037 . 2 . . . . 16 Val CG1 . 17267 1 199 . 1 1 16 16 VAL CG2 C 13 23.420 0.007 . 2 . . . . 16 Val CG2 . 17267 1 200 . 1 1 16 16 VAL N N 15 122.520 0.043 . 1 . . . . 16 Val N . 17267 1 201 . 1 1 17 17 VAL H H 1 9.027 0.009 . 1 . . . . 17 Val H . 17267 1 202 . 1 1 17 17 VAL HA H 1 4.859 0.006 . 1 . . . . 17 Val HA . 17267 1 203 . 1 1 17 17 VAL HB H 1 2.264 0.007 . 1 . . . . 17 Val HB . 17267 1 204 . 1 1 17 17 VAL HG11 H 1 0.911 0.005 . 2 . . . . 17 Val HG11 . 17267 1 205 . 1 1 17 17 VAL HG12 H 1 0.911 0.005 . 2 . . . . 17 Val HG12 . 17267 1 206 . 1 1 17 17 VAL HG13 H 1 0.911 0.005 . 2 . . . . 17 Val HG13 . 17267 1 207 . 1 1 17 17 VAL HG21 H 1 0.784 0.007 . 2 . . . . 17 Val HG21 . 17267 1 208 . 1 1 17 17 VAL HG22 H 1 0.784 0.007 . 2 . . . . 17 Val HG22 . 17267 1 209 . 1 1 17 17 VAL HG23 H 1 0.784 0.007 . 2 . . . . 17 Val HG23 . 17267 1 210 . 1 1 17 17 VAL C C 13 175.724 0.000 . 1 . . . . 17 Val C . 17267 1 211 . 1 1 17 17 VAL CA C 13 58.560 0.079 . 1 . . . . 17 Val CA . 17267 1 212 . 1 1 17 17 VAL CB C 13 33.685 0.034 . 1 . . . . 17 Val CB . 17267 1 213 . 1 1 17 17 VAL CG1 C 13 22.728 0.023 . 2 . . . . 17 Val CG1 . 17267 1 214 . 1 1 17 17 VAL CG2 C 13 18.648 0.009 . 2 . . . . 17 Val CG2 . 17267 1 215 . 1 1 17 17 VAL N N 15 121.865 0.041 . 1 . . . . 17 Val N . 17267 1 216 . 1 1 18 18 GLU H H 1 9.004 0.010 . 1 . . . . 18 Glu H . 17267 1 217 . 1 1 18 18 GLU HA H 1 4.235 0.004 . 1 . . . . 18 Glu HA . 17267 1 218 . 1 1 18 18 GLU HB2 H 1 2.209 0.010 . 2 . . . . 18 Glu HB2 . 17267 1 219 . 1 1 18 18 GLU HB3 H 1 2.098 0.003 . 2 . . . . 18 Glu HB3 . 17267 1 220 . 1 1 18 18 GLU HG2 H 1 2.442 0.015 . 1 . . . . 18 Glu HG2 . 17267 1 221 . 1 1 18 18 GLU HG3 H 1 2.442 0.015 . 1 . . . . 18 Glu HG3 . 17267 1 222 . 1 1 18 18 GLU C C 13 175.815 0.025 . 1 . . . . 18 Glu C . 17267 1 223 . 1 1 18 18 GLU CA C 13 58.288 0.077 . 1 . . . . 18 Glu CA . 17267 1 224 . 1 1 18 18 GLU CB C 13 30.627 0.067 . 1 . . . . 18 Glu CB . 17267 1 225 . 1 1 18 18 GLU CG C 13 36.523 0.077 . 1 . . . . 18 Glu CG . 17267 1 226 . 1 1 18 18 GLU N N 15 123.319 0.052 . 1 . . . . 18 Glu N . 17267 1 227 . 1 1 19 19 ASN H H 1 7.393 0.007 . 1 . . . . 19 Asn H . 17267 1 228 . 1 1 19 19 ASN HA H 1 4.995 0.004 . 1 . . . . 19 Asn HA . 17267 1 229 . 1 1 19 19 ASN HB2 H 1 2.836 0.003 . 2 . . . . 19 Asn HB2 . 17267 1 230 . 1 1 19 19 ASN HB3 H 1 2.492 0.007 . 2 . . . . 19 Asn HB3 . 17267 1 231 . 1 1 19 19 ASN HD21 H 1 7.852 0.006 . 1 . . . . 19 Asn HD21 . 17267 1 232 . 1 1 19 19 ASN HD22 H 1 7.038 0.003 . 1 . . . . 19 Asn HD22 . 17267 1 233 . 1 1 19 19 ASN C C 13 174.948 0.012 . 1 . . . . 19 Asn C . 17267 1 234 . 1 1 19 19 ASN CA C 13 51.730 0.077 . 1 . . . . 19 Asn CA . 17267 1 235 . 1 1 19 19 ASN CB C 13 41.503 0.052 . 1 . . . . 19 Asn CB . 17267 1 236 . 1 1 19 19 ASN N N 15 113.003 0.036 . 1 . . . . 19 Asn N . 17267 1 237 . 1 1 19 19 ASN ND2 N 15 115.965 0.031 . 1 . . . . 19 Asn ND2 . 17267 1 238 . 1 1 20 20 LEU H H 1 8.552 0.009 . 1 . . . . 20 Leu H . 17267 1 239 . 1 1 20 20 LEU HA H 1 3.372 0.005 . 1 . . . . 20 Leu HA . 17267 1 240 . 1 1 20 20 LEU HB2 H 1 1.313 0.004 . 2 . . . . 20 Leu HB2 . 17267 1 241 . 1 1 20 20 LEU HB3 H 1 0.464 0.007 . 2 . . . . 20 Leu HB3 . 17267 1 242 . 1 1 20 20 LEU HD11 H 1 0.709 0.005 . 2 . . . . 20 Leu HD11 . 17267 1 243 . 1 1 20 20 LEU HD12 H 1 0.709 0.005 . 2 . . . . 20 Leu HD12 . 17267 1 244 . 1 1 20 20 LEU HD13 H 1 0.709 0.005 . 2 . . . . 20 Leu HD13 . 17267 1 245 . 1 1 20 20 LEU HD21 H 1 0.643 0.007 . 2 . . . . 20 Leu HD21 . 17267 1 246 . 1 1 20 20 LEU HD22 H 1 0.643 0.007 . 2 . . . . 20 Leu HD22 . 17267 1 247 . 1 1 20 20 LEU HD23 H 1 0.643 0.007 . 2 . . . . 20 Leu HD23 . 17267 1 248 . 1 1 20 20 LEU HG H 1 1.093 0.003 . 1 . . . . 20 Leu HG . 17267 1 249 . 1 1 20 20 LEU C C 13 178.880 0.009 . 1 . . . . 20 Leu C . 17267 1 250 . 1 1 20 20 LEU CA C 13 57.891 0.068 . 1 . . . . 20 Leu CA . 17267 1 251 . 1 1 20 20 LEU CB C 13 40.690 0.063 . 1 . . . . 20 Leu CB . 17267 1 252 . 1 1 20 20 LEU CD1 C 13 25.463 0.012 . 2 . . . . 20 Leu CD1 . 17267 1 253 . 1 1 20 20 LEU CD2 C 13 22.968 0.016 . 2 . . . . 20 Leu CD2 . 17267 1 254 . 1 1 20 20 LEU CG C 13 26.655 0.024 . 1 . . . . 20 Leu CG . 17267 1 255 . 1 1 20 20 LEU N N 15 126.981 0.049 . 1 . . . . 20 Leu N . 17267 1 256 . 1 1 21 21 GLU H H 1 9.349 0.008 . 1 . . . . 21 Glu H . 17267 1 257 . 1 1 21 21 GLU HA H 1 4.057 0.003 . 1 . . . . 21 Glu HA . 17267 1 258 . 1 1 21 21 GLU HB2 H 1 2.034 0.008 . 2 . . . . 21 Glu HB2 . 17267 1 259 . 1 1 21 21 GLU HB3 H 1 2.023 0.010 . 2 . . . . 21 Glu HB3 . 17267 1 260 . 1 1 21 21 GLU HG2 H 1 2.337 0.018 . 1 . . . . 21 Glu HG2 . 17267 1 261 . 1 1 21 21 GLU HG3 H 1 2.337 0.018 . 1 . . . . 21 Glu HG3 . 17267 1 262 . 1 1 21 21 GLU C C 13 177.133 0.015 . 1 . . . . 21 Glu C . 17267 1 263 . 1 1 21 21 GLU CA C 13 59.017 0.063 . 1 . . . . 21 Glu CA . 17267 1 264 . 1 1 21 21 GLU CB C 13 28.528 0.058 . 1 . . . . 21 Glu CB . 17267 1 265 . 1 1 21 21 GLU CG C 13 36.777 0.000 . 1 . . . . 21 Glu CG . 17267 1 266 . 1 1 21 21 GLU N N 15 117.581 0.042 . 1 . . . . 21 Glu N . 17267 1 267 . 1 1 22 22 GLU H H 1 7.624 0.009 . 1 . . . . 22 Glu H . 17267 1 268 . 1 1 22 22 GLU HA H 1 4.307 0.003 . 1 . . . . 22 Glu HA . 17267 1 269 . 1 1 22 22 GLU HB2 H 1 2.339 0.004 . 2 . . . . 22 Glu HB2 . 17267 1 270 . 1 1 22 22 GLU HB3 H 1 2.146 0.008 . 2 . . . . 22 Glu HB3 . 17267 1 271 . 1 1 22 22 GLU HG2 H 1 2.360 0.002 . 1 . . . . 22 Glu HG2 . 17267 1 272 . 1 1 22 22 GLU HG3 H 1 2.360 0.002 . 1 . . . . 22 Glu HG3 . 17267 1 273 . 1 1 22 22 GLU C C 13 176.102 0.037 . 1 . . . . 22 Glu C . 17267 1 274 . 1 1 22 22 GLU CA C 13 55.659 0.052 . 1 . . . . 22 Glu CA . 17267 1 275 . 1 1 22 22 GLU CB C 13 29.918 0.105 . 1 . . . . 22 Glu CB . 17267 1 276 . 1 1 22 22 GLU CG C 13 36.335 0.000 . 1 . . . . 22 Glu CG . 17267 1 277 . 1 1 22 22 GLU N N 15 117.049 0.046 . 1 . . . . 22 Glu N . 17267 1 278 . 1 1 23 23 ALA H H 1 7.445 0.008 . 1 . . . . 23 Ala H . 17267 1 279 . 1 1 23 23 ALA HA H 1 3.763 0.004 . 1 . . . . 23 Ala HA . 17267 1 280 . 1 1 23 23 ALA HB1 H 1 1.289 0.005 . 1 . . . . 23 Ala HB1 . 17267 1 281 . 1 1 23 23 ALA HB2 H 1 1.289 0.005 . 1 . . . . 23 Ala HB2 . 17267 1 282 . 1 1 23 23 ALA HB3 H 1 1.289 0.005 . 1 . . . . 23 Ala HB3 . 17267 1 283 . 1 1 23 23 ALA C C 13 176.900 0.013 . 1 . . . . 23 Ala C . 17267 1 284 . 1 1 23 23 ALA CA C 13 53.177 0.082 . 1 . . . . 23 Ala CA . 17267 1 285 . 1 1 23 23 ALA CB C 13 17.764 0.082 . 1 . . . . 23 Ala CB . 17267 1 286 . 1 1 23 23 ALA N N 15 122.467 0.052 . 1 . . . . 23 Ala N . 17267 1 287 . 1 1 24 24 LYS H H 1 8.243 0.008 . 1 . . . . 24 Lys H . 17267 1 288 . 1 1 24 24 LYS HA H 1 4.186 0.004 . 1 . . . . 24 Lys HA . 17267 1 289 . 1 1 24 24 LYS HB2 H 1 1.832 0.010 . 2 . . . . 24 Lys HB2 . 17267 1 290 . 1 1 24 24 LYS HB3 H 1 1.824 0.012 . 2 . . . . 24 Lys HB3 . 17267 1 291 . 1 1 24 24 LYS HD2 H 1 1.725 0.014 . 1 . . . . 24 Lys HD2 . 17267 1 292 . 1 1 24 24 LYS HD3 H 1 1.725 0.014 . 1 . . . . 24 Lys HD3 . 17267 1 293 . 1 1 24 24 LYS HE2 H 1 3.056 0.002 . 1 . . . . 24 Lys HE2 . 17267 1 294 . 1 1 24 24 LYS HE3 H 1 3.056 0.002 . 1 . . . . 24 Lys HE3 . 17267 1 295 . 1 1 24 24 LYS HG2 H 1 1.566 0.010 . 2 . . . . 24 Lys HG2 . 17267 1 296 . 1 1 24 24 LYS HG3 H 1 1.561 0.011 . 2 . . . . 24 Lys HG3 . 17267 1 297 . 1 1 24 24 LYS C C 13 177.614 0.007 . 1 . . . . 24 Lys C . 17267 1 298 . 1 1 24 24 LYS CA C 13 56.656 0.092 . 1 . . . . 24 Lys CA . 17267 1 299 . 1 1 24 24 LYS CB C 13 32.365 0.068 . 1 . . . . 24 Lys CB . 17267 1 300 . 1 1 24 24 LYS CD C 13 28.705 0.000 . 1 . . . . 24 Lys CD . 17267 1 301 . 1 1 24 24 LYS CE C 13 42.157 0.000 . 1 . . . . 24 Lys CE . 17267 1 302 . 1 1 24 24 LYS CG C 13 24.913 0.001 . 1 . . . . 24 Lys CG . 17267 1 303 . 1 1 24 24 LYS N N 15 123.441 0.040 . 1 . . . . 24 Lys N . 17267 1 304 . 1 1 25 25 GLU H H 1 8.794 0.008 . 1 . . . . 25 Glu H . 17267 1 305 . 1 1 25 25 GLU HA H 1 4.263 0.007 . 1 . . . . 25 Glu HA . 17267 1 306 . 1 1 25 25 GLU HB2 H 1 2.087 0.016 . 1 . . . . 25 Glu HB2 . 17267 1 307 . 1 1 25 25 GLU HB3 H 1 2.087 0.016 . 1 . . . . 25 Glu HB3 . 17267 1 308 . 1 1 25 25 GLU HG2 H 1 2.348 0.008 . 1 . . . . 25 Glu HG2 . 17267 1 309 . 1 1 25 25 GLU HG3 H 1 2.348 0.008 . 1 . . . . 25 Glu HG3 . 17267 1 310 . 1 1 25 25 GLU C C 13 177.614 0.008 . 1 . . . . 25 Glu C . 17267 1 311 . 1 1 25 25 GLU CA C 13 56.778 0.031 . 1 . . . . 25 Glu CA . 17267 1 312 . 1 1 25 25 GLU CB C 13 30.606 0.021 . 1 . . . . 25 Glu CB . 17267 1 313 . 1 1 25 25 GLU CG C 13 36.654 0.000 . 1 . . . . 25 Glu CG . 17267 1 314 . 1 1 25 25 GLU N N 15 124.376 0.039 . 1 . . . . 25 Glu N . 17267 1 315 . 1 1 26 26 GLY H H 1 8.966 0.011 . 1 . . . . 26 Gly H . 17267 1 316 . 1 1 26 26 GLY HA2 H 1 3.787 0.004 . 2 . . . . 26 Gly HA2 . 17267 1 317 . 1 1 26 26 GLY HA3 H 1 4.172 0.005 . 2 . . . . 26 Gly HA3 . 17267 1 318 . 1 1 26 26 GLY C C 13 173.301 0.016 . 1 . . . . 26 Gly C . 17267 1 319 . 1 1 26 26 GLY CA C 13 46.014 0.081 . 1 . . . . 26 Gly CA . 17267 1 320 . 1 1 26 26 GLY N N 15 108.448 0.038 . 1 . . . . 26 Gly N . 17267 1 321 . 1 1 27 27 ILE H H 1 7.261 0.007 . 1 . . . . 27 Ile H . 17267 1 322 . 1 1 27 27 ILE HA H 1 5.010 0.004 . 1 . . . . 27 Ile HA . 17267 1 323 . 1 1 27 27 ILE HB H 1 2.144 0.002 . 1 . . . . 27 Ile HB . 17267 1 324 . 1 1 27 27 ILE HD11 H 1 0.421 0.005 . 1 . . . . 27 Ile HD11 . 17267 1 325 . 1 1 27 27 ILE HD12 H 1 0.421 0.005 . 1 . . . . 27 Ile HD12 . 17267 1 326 . 1 1 27 27 ILE HD13 H 1 0.421 0.005 . 1 . . . . 27 Ile HD13 . 17267 1 327 . 1 1 27 27 ILE HG12 H 1 1.373 0.007 . 2 . . . . 27 Ile HG12 . 17267 1 328 . 1 1 27 27 ILE HG13 H 1 0.847 0.021 . 2 . . . . 27 Ile HG13 . 17267 1 329 . 1 1 27 27 ILE HG21 H 1 0.881 0.003 . 1 . . . . 27 Ile HG21 . 17267 1 330 . 1 1 27 27 ILE HG22 H 1 0.881 0.003 . 1 . . . . 27 Ile HG22 . 17267 1 331 . 1 1 27 27 ILE HG23 H 1 0.881 0.003 . 1 . . . . 27 Ile HG23 . 17267 1 332 . 1 1 27 27 ILE C C 13 171.964 0.000 . 1 . . . . 27 Ile C . 17267 1 333 . 1 1 27 27 ILE CA C 13 58.145 0.045 . 1 . . . . 27 Ile CA . 17267 1 334 . 1 1 27 27 ILE CB C 13 39.186 0.035 . 1 . . . . 27 Ile CB . 17267 1 335 . 1 1 27 27 ILE CD1 C 13 13.511 0.016 . 1 . . . . 27 Ile CD1 . 17267 1 336 . 1 1 27 27 ILE CG1 C 13 23.903 0.013 . 1 . . . . 27 Ile CG1 . 17267 1 337 . 1 1 27 27 ILE CG2 C 13 17.408 0.018 . 1 . . . . 27 Ile CG2 . 17267 1 338 . 1 1 27 27 ILE N N 15 112.153 0.033 . 1 . . . . 27 Ile N . 17267 1 339 . 1 1 28 28 PRO HA H 1 4.302 0.005 . 1 . . . . 28 Pro HA . 17267 1 340 . 1 1 28 28 PRO HB2 H 1 2.827 0.006 . 2 . . . . 28 Pro HB2 . 17267 1 341 . 1 1 28 28 PRO HB3 H 1 1.712 0.005 . 2 . . . . 28 Pro HB3 . 17267 1 342 . 1 1 28 28 PRO HD2 H 1 4.056 0.009 . 1 . . . . 28 Pro HD2 . 17267 1 343 . 1 1 28 28 PRO HD3 H 1 4.056 0.009 . 1 . . . . 28 Pro HD3 . 17267 1 344 . 1 1 28 28 PRO HG2 H 1 2.027 0.007 . 2 . . . . 28 Pro HG2 . 17267 1 345 . 1 1 28 28 PRO HG3 H 1 1.917 0.010 . 2 . . . . 28 Pro HG3 . 17267 1 346 . 1 1 28 28 PRO C C 13 174.459 0.030 . 1 . . . . 28 Pro C . 17267 1 347 . 1 1 28 28 PRO CA C 13 63.430 0.054 . 1 . . . . 28 Pro CA . 17267 1 348 . 1 1 28 28 PRO CB C 13 33.249 0.038 . 1 . . . . 28 Pro CB . 17267 1 349 . 1 1 28 28 PRO CD C 13 50.991 0.015 . 1 . . . . 28 Pro CD . 17267 1 350 . 1 1 28 28 PRO CG C 13 28.625 0.022 . 1 . . . . 28 Pro CG . 17267 1 351 . 1 1 29 29 THR H H 1 8.102 0.013 . 1 . . . . 29 Thr H . 17267 1 352 . 1 1 29 29 THR HA H 1 5.014 0.008 . 1 . . . . 29 Thr HA . 17267 1 353 . 1 1 29 29 THR HB H 1 3.897 0.002 . 1 . . . . 29 Thr HB . 17267 1 354 . 1 1 29 29 THR HG21 H 1 0.904 0.007 . 1 . . . . 29 Thr HG21 . 17267 1 355 . 1 1 29 29 THR HG22 H 1 0.904 0.007 . 1 . . . . 29 Thr HG22 . 17267 1 356 . 1 1 29 29 THR HG23 H 1 0.904 0.007 . 1 . . . . 29 Thr HG23 . 17267 1 357 . 1 1 29 29 THR C C 13 171.311 0.009 . 1 . . . . 29 Thr C . 17267 1 358 . 1 1 29 29 THR CA C 13 62.200 0.072 . 1 . . . . 29 Thr CA . 17267 1 359 . 1 1 29 29 THR CB C 13 72.385 0.054 . 1 . . . . 29 Thr CB . 17267 1 360 . 1 1 29 29 THR CG2 C 13 21.371 0.044 . 1 . . . . 29 Thr CG2 . 17267 1 361 . 1 1 29 29 THR N N 15 116.254 0.091 . 1 . . . . 29 Thr N . 17267 1 362 . 1 1 30 30 ILE H H 1 9.144 0.009 . 1 . . . . 30 Ile H . 17267 1 363 . 1 1 30 30 ILE HA H 1 4.610 0.006 . 1 . . . . 30 Ile HA . 17267 1 364 . 1 1 30 30 ILE HB H 1 1.620 0.007 . 1 . . . . 30 Ile HB . 17267 1 365 . 1 1 30 30 ILE HD11 H 1 0.383 0.007 . 1 . . . . 30 Ile HD11 . 17267 1 366 . 1 1 30 30 ILE HD12 H 1 0.383 0.007 . 1 . . . . 30 Ile HD12 . 17267 1 367 . 1 1 30 30 ILE HD13 H 1 0.383 0.007 . 1 . . . . 30 Ile HD13 . 17267 1 368 . 1 1 30 30 ILE HG12 H 1 0.391 0.007 . 2 . . . . 30 Ile HG12 . 17267 1 369 . 1 1 30 30 ILE HG13 H 1 1.395 0.006 . 2 . . . . 30 Ile HG13 . 17267 1 370 . 1 1 30 30 ILE HG21 H 1 0.177 0.005 . 1 . . . . 30 Ile HG21 . 17267 1 371 . 1 1 30 30 ILE HG22 H 1 0.177 0.005 . 1 . . . . 30 Ile HG22 . 17267 1 372 . 1 1 30 30 ILE HG23 H 1 0.177 0.005 . 1 . . . . 30 Ile HG23 . 17267 1 373 . 1 1 30 30 ILE C C 13 174.383 0.000 . 1 . . . . 30 Ile C . 17267 1 374 . 1 1 30 30 ILE CA C 13 59.992 0.033 . 1 . . . . 30 Ile CA . 17267 1 375 . 1 1 30 30 ILE CB C 13 40.069 0.039 . 1 . . . . 30 Ile CB . 17267 1 376 . 1 1 30 30 ILE CD1 C 13 15.090 0.013 . 1 . . . . 30 Ile CD1 . 17267 1 377 . 1 1 30 30 ILE CG1 C 13 27.009 0.046 . 1 . . . . 30 Ile CG1 . 17267 1 378 . 1 1 30 30 ILE CG2 C 13 16.956 0.034 . 1 . . . . 30 Ile CG2 . 17267 1 379 . 1 1 30 30 ILE N N 15 127.765 0.054 . 1 . . . . 30 Ile N . 17267 1 380 . 1 1 31 31 ILE H H 1 9.043 0.010 . 1 . . . . 31 Ile H . 17267 1 381 . 1 1 31 31 ILE HA H 1 4.930 0.007 . 1 . . . . 31 Ile HA . 17267 1 382 . 1 1 31 31 ILE HB H 1 1.391 0.004 . 1 . . . . 31 Ile HB . 17267 1 383 . 1 1 31 31 ILE HD11 H 1 0.820 0.004 . 1 . . . . 31 Ile HD11 . 17267 1 384 . 1 1 31 31 ILE HD12 H 1 0.820 0.004 . 1 . . . . 31 Ile HD12 . 17267 1 385 . 1 1 31 31 ILE HD13 H 1 0.820 0.004 . 1 . . . . 31 Ile HD13 . 17267 1 386 . 1 1 31 31 ILE HG12 H 1 1.497 0.005 . 2 . . . . 31 Ile HG12 . 17267 1 387 . 1 1 31 31 ILE HG13 H 1 0.854 0.007 . 2 . . . . 31 Ile HG13 . 17267 1 388 . 1 1 31 31 ILE HG21 H 1 0.246 0.005 . 1 . . . . 31 Ile HG21 . 17267 1 389 . 1 1 31 31 ILE HG22 H 1 0.246 0.005 . 1 . . . . 31 Ile HG22 . 17267 1 390 . 1 1 31 31 ILE HG23 H 1 0.246 0.005 . 1 . . . . 31 Ile HG23 . 17267 1 391 . 1 1 31 31 ILE C C 13 174.798 0.000 . 1 . . . . 31 Ile C . 17267 1 392 . 1 1 31 31 ILE CA C 13 59.512 0.043 . 1 . . . . 31 Ile CA . 17267 1 393 . 1 1 31 31 ILE CB C 13 41.049 0.092 . 1 . . . . 31 Ile CB . 17267 1 394 . 1 1 31 31 ILE CD1 C 13 14.897 0.023 . 1 . . . . 31 Ile CD1 . 17267 1 395 . 1 1 31 31 ILE CG1 C 13 27.672 0.047 . 1 . . . . 31 Ile CG1 . 17267 1 396 . 1 1 31 31 ILE CG2 C 13 17.755 0.020 . 1 . . . . 31 Ile CG2 . 17267 1 397 . 1 1 31 31 ILE N N 15 126.872 0.110 . 1 . . . . 31 Ile N . 17267 1 398 . 1 1 32 32 MET H H 1 8.441 0.010 . 1 . . . . 32 Met H . 17267 1 399 . 1 1 32 32 MET HA H 1 5.345 0.008 . 1 . . . . 32 Met HA . 17267 1 400 . 1 1 32 32 MET HB2 H 1 2.224 0.008 . 2 . . . . 32 Met HB2 . 17267 1 401 . 1 1 32 32 MET HB3 H 1 1.544 0.007 . 2 . . . . 32 Met HB3 . 17267 1 402 . 1 1 32 32 MET HE1 H 1 2.065 0.006 . 1 . . . . 32 Met HE1 . 17267 1 403 . 1 1 32 32 MET HE2 H 1 2.065 0.006 . 1 . . . . 32 Met HE2 . 17267 1 404 . 1 1 32 32 MET HE3 H 1 2.065 0.006 . 1 . . . . 32 Met HE3 . 17267 1 405 . 1 1 32 32 MET HG2 H 1 2.149 0.008 . 2 . . . . 32 Met HG2 . 17267 1 406 . 1 1 32 32 MET HG3 H 1 3.165 0.009 . 2 . . . . 32 Met HG3 . 17267 1 407 . 1 1 32 32 MET C C 13 175.563 0.000 . 1 . . . . 32 Met C . 17267 1 408 . 1 1 32 32 MET CA C 13 53.980 0.039 . 1 . . . . 32 Met CA . 17267 1 409 . 1 1 32 32 MET CB C 13 37.023 0.058 . 1 . . . . 32 Met CB . 17267 1 410 . 1 1 32 32 MET CE C 13 19.499 0.020 . 1 . . . . 32 Met CE . 17267 1 411 . 1 1 32 32 MET CG C 13 32.094 0.036 . 1 . . . . 32 Met CG . 17267 1 412 . 1 1 32 32 MET N N 15 126.638 0.059 . 1 . . . . 32 Met N . 17267 1 413 . 1 1 33 33 PHE H H 1 9.395 0.009 . 1 . . . . 33 Phe H . 17267 1 414 . 1 1 33 33 PHE HA H 1 5.289 0.009 . 1 . . . . 33 Phe HA . 17267 1 415 . 1 1 33 33 PHE HB2 H 1 3.024 0.007 . 1 . . . . 33 Phe HB2 . 17267 1 416 . 1 1 33 33 PHE HB3 H 1 3.024 0.007 . 1 . . . . 33 Phe HB3 . 17267 1 417 . 1 1 33 33 PHE HD1 H 1 7.294 0.005 . 3 . . . . 33 Phe HD1 . 17267 1 418 . 1 1 33 33 PHE HD2 H 1 7.294 0.005 . 3 . . . . 33 Phe HD2 . 17267 1 419 . 1 1 33 33 PHE HE1 H 1 7.167 0.006 . 3 . . . . 33 Phe HE1 . 17267 1 420 . 1 1 33 33 PHE HE2 H 1 7.167 0.006 . 3 . . . . 33 Phe HE2 . 17267 1 421 . 1 1 33 33 PHE C C 13 174.999 0.046 . 1 . . . . 33 Phe C . 17267 1 422 . 1 1 33 33 PHE CA C 13 58.146 0.054 . 1 . . . . 33 Phe CA . 17267 1 423 . 1 1 33 33 PHE CB C 13 40.478 0.038 . 1 . . . . 33 Phe CB . 17267 1 424 . 1 1 33 33 PHE CD1 C 13 133.040 0.037 . 3 . . . . 33 Phe CD1 . 17267 1 425 . 1 1 33 33 PHE CD2 C 13 133.040 0.037 . 3 . . . . 33 Phe CD2 . 17267 1 426 . 1 1 33 33 PHE CE1 C 13 130.373 0.054 . 3 . . . . 33 Phe CE1 . 17267 1 427 . 1 1 33 33 PHE CE2 C 13 130.373 0.054 . 3 . . . . 33 Phe CE2 . 17267 1 428 . 1 1 33 33 PHE N N 15 127.708 0.057 . 1 . . . . 33 Phe N . 17267 1 429 . 1 1 34 34 LYS H H 1 8.540 0.008 . 1 . . . . 34 Lys H . 17267 1 430 . 1 1 34 34 LYS HA H 1 5.180 0.007 . 1 . . . . 34 Lys HA . 17267 1 431 . 1 1 34 34 LYS HB2 H 1 1.871 0.006 . 2 . . . . 34 Lys HB2 . 17267 1 432 . 1 1 34 34 LYS HB3 H 1 1.536 0.008 . 2 . . . . 34 Lys HB3 . 17267 1 433 . 1 1 34 34 LYS HD2 H 1 1.522 0.006 . 2 . . . . 34 Lys HD2 . 17267 1 434 . 1 1 34 34 LYS HD3 H 1 1.183 0.007 . 2 . . . . 34 Lys HD3 . 17267 1 435 . 1 1 34 34 LYS HE2 H 1 2.706 0.005 . 2 . . . . 34 Lys HE2 . 17267 1 436 . 1 1 34 34 LYS HE3 H 1 2.705 0.005 . 2 . . . . 34 Lys HE3 . 17267 1 437 . 1 1 34 34 LYS HG2 H 1 1.286 0.007 . 1 . . . . 34 Lys HG2 . 17267 1 438 . 1 1 34 34 LYS HG3 H 1 1.286 0.007 . 1 . . . . 34 Lys HG3 . 17267 1 439 . 1 1 34 34 LYS C C 13 173.398 0.000 . 1 . . . . 34 Lys C . 17267 1 440 . 1 1 34 34 LYS CA C 13 54.430 0.053 . 1 . . . . 34 Lys CA . 17267 1 441 . 1 1 34 34 LYS CB C 13 37.366 0.059 . 1 . . . . 34 Lys CB . 17267 1 442 . 1 1 34 34 LYS CD C 13 28.831 0.049 . 1 . . . . 34 Lys CD . 17267 1 443 . 1 1 34 34 LYS CE C 13 40.804 0.014 . 1 . . . . 34 Lys CE . 17267 1 444 . 1 1 34 34 LYS CG C 13 21.425 0.026 . 1 . . . . 34 Lys CG . 17267 1 445 . 1 1 34 34 LYS N N 15 115.703 0.061 . 1 . . . . 34 Lys N . 17267 1 446 . 1 1 35 35 THR H H 1 6.686 0.008 . 1 . . . . 35 Thr H . 17267 1 447 . 1 1 35 35 THR HA H 1 5.638 0.007 . 1 . . . . 35 Thr HA . 17267 1 448 . 1 1 35 35 THR HB H 1 4.607 0.002 . 1 . . . . 35 Thr HB . 17267 1 449 . 1 1 35 35 THR HG21 H 1 1.272 0.005 . 1 . . . . 35 Thr HG21 . 17267 1 450 . 1 1 35 35 THR HG22 H 1 1.272 0.005 . 1 . . . . 35 Thr HG22 . 17267 1 451 . 1 1 35 35 THR HG23 H 1 1.272 0.005 . 1 . . . . 35 Thr HG23 . 17267 1 452 . 1 1 35 35 THR C C 13 176.802 0.000 . 1 . . . . 35 Thr C . 17267 1 453 . 1 1 35 35 THR CA C 13 60.047 0.081 . 1 . . . . 35 Thr CA . 17267 1 454 . 1 1 35 35 THR CB C 13 72.749 0.052 . 1 . . . . 35 Thr CB . 17267 1 455 . 1 1 35 35 THR CG2 C 13 22.813 0.013 . 1 . . . . 35 Thr CG2 . 17267 1 456 . 1 1 35 35 THR N N 15 107.474 0.041 . 1 . . . . 35 Thr N . 17267 1 457 . 1 1 36 36 ASP H H 1 10.780 0.009 . 1 . . . . 36 Asp H . 17267 1 458 . 1 1 36 36 ASP HA H 1 4.497 0.003 . 1 . . . . 36 Asp HA . 17267 1 459 . 1 1 36 36 ASP HB2 H 1 2.852 0.002 . 2 . . . . 36 Asp HB2 . 17267 1 460 . 1 1 36 36 ASP HB3 H 1 2.655 0.007 . 2 . . . . 36 Asp HB3 . 17267 1 461 . 1 1 36 36 ASP C C 13 177.364 0.021 . 1 . . . . 36 Asp C . 17267 1 462 . 1 1 36 36 ASP CA C 13 56.135 0.074 . 1 . . . . 36 Asp CA . 17267 1 463 . 1 1 36 36 ASP CB C 13 40.648 0.051 . 1 . . . . 36 Asp CB . 17267 1 464 . 1 1 36 36 ASP N N 15 119.726 0.056 . 1 . . . . 36 Asp N . 17267 1 465 . 1 1 37 37 THR H H 1 7.823 0.012 . 1 . . . . 37 Thr H . 17267 1 466 . 1 1 37 37 THR HA H 1 4.494 0.001 . 1 . . . . 37 Thr HA . 17267 1 467 . 1 1 37 37 THR HB H 1 4.352 0.004 . 1 . . . . 37 Thr HB . 17267 1 468 . 1 1 37 37 THR HG21 H 1 1.159 0.002 . 1 . . . . 37 Thr HG21 . 17267 1 469 . 1 1 37 37 THR HG22 H 1 1.159 0.002 . 1 . . . . 37 Thr HG22 . 17267 1 470 . 1 1 37 37 THR HG23 H 1 1.159 0.002 . 1 . . . . 37 Thr HG23 . 17267 1 471 . 1 1 37 37 THR C C 13 173.594 0.000 . 1 . . . . 37 Thr C . 17267 1 472 . 1 1 37 37 THR CA C 13 59.365 0.065 . 1 . . . . 37 Thr CA . 17267 1 473 . 1 1 37 37 THR CB C 13 68.148 0.099 . 1 . . . . 37 Thr CB . 17267 1 474 . 1 1 37 37 THR CG2 C 13 21.339 0.012 . 1 . . . . 37 Thr CG2 . 17267 1 475 . 1 1 37 37 THR N N 15 112.378 0.029 . 1 . . . . 37 Thr N . 17267 1 476 . 1 1 38 38 CYS H H 1 8.105 0.012 . 1 . . . . 38 Cys H . 17267 1 477 . 1 1 38 38 CYS HA H 1 4.846 0.003 . 1 . . . . 38 Cys HA . 17267 1 478 . 1 1 38 38 CYS HB2 H 1 3.886 0.008 . 2 . . . . 38 Cys HB2 . 17267 1 479 . 1 1 38 38 CYS HB3 H 1 3.207 0.008 . 2 . . . . 38 Cys HB3 . 17267 1 480 . 1 1 38 38 CYS CA C 13 51.513 0.017 . 1 . . . . 38 Cys CA . 17267 1 481 . 1 1 38 38 CYS CB C 13 42.265 0.036 . 1 . . . . 38 Cys CB . 17267 1 482 . 1 1 38 38 CYS N N 15 119.916 0.020 . 1 . . . . 38 Cys N . 17267 1 483 . 1 1 39 39 PRO HA H 1 4.414 0.005 . 1 . . . . 39 Pro HA . 17267 1 484 . 1 1 39 39 PRO HB2 H 1 2.381 0.004 . 2 . . . . 39 Pro HB2 . 17267 1 485 . 1 1 39 39 PRO HB3 H 1 1.796 0.006 . 2 . . . . 39 Pro HB3 . 17267 1 486 . 1 1 39 39 PRO HD2 H 1 3.879 0.009 . 2 . . . . 39 Pro HD2 . 17267 1 487 . 1 1 39 39 PRO HD3 H 1 3.677 0.005 . 2 . . . . 39 Pro HD3 . 17267 1 488 . 1 1 39 39 PRO HG2 H 1 2.014 0.006 . 2 . . . . 39 Pro HG2 . 17267 1 489 . 1 1 39 39 PRO HG3 H 1 2.016 0.004 . 2 . . . . 39 Pro HG3 . 17267 1 490 . 1 1 39 39 PRO C C 13 180.669 0.000 . 1 . . . . 39 Pro C . 17267 1 491 . 1 1 39 39 PRO CA C 13 66.145 0.058 . 1 . . . . 39 Pro CA . 17267 1 492 . 1 1 39 39 PRO CB C 13 32.107 0.021 . 1 . . . . 39 Pro CB . 17267 1 493 . 1 1 39 39 PRO CD C 13 50.384 0.015 . 1 . . . . 39 Pro CD . 17267 1 494 . 1 1 39 39 PRO CG C 13 27.603 0.011 . 1 . . . . 39 Pro CG . 17267 1 495 . 1 1 40 40 TYR H H 1 9.339 0.009 . 1 . . . . 40 Tyr H . 17267 1 496 . 1 1 40 40 TYR HA H 1 4.734 0.006 . 1 . . . . 40 Tyr HA . 17267 1 497 . 1 1 40 40 TYR HB2 H 1 3.132 0.014 . 1 . . . . 40 Tyr HB2 . 17267 1 498 . 1 1 40 40 TYR HB3 H 1 3.132 0.014 . 1 . . . . 40 Tyr HB3 . 17267 1 499 . 1 1 40 40 TYR HD1 H 1 7.238 0.003 . 3 . . . . 40 Tyr HD1 . 17267 1 500 . 1 1 40 40 TYR HD2 H 1 7.238 0.003 . 3 . . . . 40 Tyr HD2 . 17267 1 501 . 1 1 40 40 TYR HE1 H 1 6.997 0.002 . 3 . . . . 40 Tyr HE1 . 17267 1 502 . 1 1 40 40 TYR HE2 H 1 6.997 0.002 . 3 . . . . 40 Tyr HE2 . 17267 1 503 . 1 1 40 40 TYR C C 13 178.139 0.000 . 1 . . . . 40 Tyr C . 17267 1 504 . 1 1 40 40 TYR CA C 13 58.698 0.114 . 1 . . . . 40 Tyr CA . 17267 1 505 . 1 1 40 40 TYR CB C 13 36.765 0.040 . 1 . . . . 40 Tyr CB . 17267 1 506 . 1 1 40 40 TYR CD1 C 13 131.878 0.039 . 3 . . . . 40 Tyr CD1 . 17267 1 507 . 1 1 40 40 TYR CD2 C 13 131.878 0.039 . 3 . . . . 40 Tyr CD2 . 17267 1 508 . 1 1 40 40 TYR CE1 C 13 118.759 0.058 . 3 . . . . 40 Tyr CE1 . 17267 1 509 . 1 1 40 40 TYR CE2 C 13 118.759 0.058 . 3 . . . . 40 Tyr CE2 . 17267 1 510 . 1 1 40 40 TYR N N 15 115.773 0.042 . 1 . . . . 40 Tyr N . 17267 1 511 . 1 1 41 41 CYS H H 1 8.792 0.009 . 1 . . . . 41 Cys H . 17267 1 512 . 1 1 41 41 CYS HA H 1 4.454 0.005 . 1 . . . . 41 Cys HA . 17267 1 513 . 1 1 41 41 CYS HB2 H 1 2.719 0.007 . 1 . . . . 41 Cys HB2 . 17267 1 514 . 1 1 41 41 CYS HB3 H 1 2.718 0.007 . 1 . . . . 41 Cys HB3 . 17267 1 515 . 1 1 41 41 CYS C C 13 175.544 0.000 . 1 . . . . 41 Cys C . 17267 1 516 . 1 1 41 41 CYS CA C 13 64.469 0.071 . 1 . . . . 41 Cys CA . 17267 1 517 . 1 1 41 41 CYS CB C 13 33.419 0.033 . 1 . . . . 41 Cys CB . 17267 1 518 . 1 1 41 41 CYS N N 15 117.773 0.041 . 1 . . . . 41 Cys N . 17267 1 519 . 1 1 42 42 VAL H H 1 7.569 0.010 . 1 . . . . 42 Val H . 17267 1 520 . 1 1 42 42 VAL HA H 1 3.744 0.004 . 1 . . . . 42 Val HA . 17267 1 521 . 1 1 42 42 VAL HB H 1 2.301 0.004 . 1 . . . . 42 Val HB . 17267 1 522 . 1 1 42 42 VAL HG11 H 1 1.109 0.005 . 2 . . . . 42 Val HG11 . 17267 1 523 . 1 1 42 42 VAL HG12 H 1 1.109 0.005 . 2 . . . . 42 Val HG12 . 17267 1 524 . 1 1 42 42 VAL HG13 H 1 1.109 0.005 . 2 . . . . 42 Val HG13 . 17267 1 525 . 1 1 42 42 VAL HG21 H 1 1.012 0.010 . 2 . . . . 42 Val HG21 . 17267 1 526 . 1 1 42 42 VAL HG22 H 1 1.012 0.010 . 2 . . . . 42 Val HG22 . 17267 1 527 . 1 1 42 42 VAL HG23 H 1 1.012 0.010 . 2 . . . . 42 Val HG23 . 17267 1 528 . 1 1 42 42 VAL C C 13 179.021 0.000 . 1 . . . . 42 Val C . 17267 1 529 . 1 1 42 42 VAL CA C 13 66.320 0.059 . 1 . . . . 42 Val CA . 17267 1 530 . 1 1 42 42 VAL CB C 13 31.875 0.062 . 1 . . . . 42 Val CB . 17267 1 531 . 1 1 42 42 VAL CG1 C 13 22.490 0.010 . 2 . . . . 42 Val CG1 . 17267 1 532 . 1 1 42 42 VAL CG2 C 13 21.208 0.010 . 2 . . . . 42 Val CG2 . 17267 1 533 . 1 1 42 42 VAL N N 15 121.101 0.057 . 1 . . . . 42 Val N . 17267 1 534 . 1 1 43 43 GLU H H 1 7.712 0.009 . 1 . . . . 43 Glu H . 17267 1 535 . 1 1 43 43 GLU HA H 1 4.145 0.004 . 1 . . . . 43 Glu HA . 17267 1 536 . 1 1 43 43 GLU HB2 H 1 2.250 0.004 . 1 . . . . 43 Glu HB2 . 17267 1 537 . 1 1 43 43 GLU HB3 H 1 2.250 0.004 . 1 . . . . 43 Glu HB3 . 17267 1 538 . 1 1 43 43 GLU HG2 H 1 2.513 0.005 . 2 . . . . 43 Glu HG2 . 17267 1 539 . 1 1 43 43 GLU HG3 H 1 2.440 0.006 . 2 . . . . 43 Glu HG3 . 17267 1 540 . 1 1 43 43 GLU C C 13 179.120 0.000 . 1 . . . . 43 Glu C . 17267 1 541 . 1 1 43 43 GLU CA C 13 59.702 0.070 . 1 . . . . 43 Glu CA . 17267 1 542 . 1 1 43 43 GLU CB C 13 29.667 0.052 . 1 . . . . 43 Glu CB . 17267 1 543 . 1 1 43 43 GLU CG C 13 36.137 0.048 . 1 . . . . 43 Glu CG . 17267 1 544 . 1 1 43 43 GLU N N 15 119.266 0.054 . 1 . . . . 43 Glu N . 17267 1 545 . 1 1 44 44 MET H H 1 8.246 0.009 . 1 . . . . 44 Met H . 17267 1 546 . 1 1 44 44 MET HA H 1 4.224 0.006 . 1 . . . . 44 Met HA . 17267 1 547 . 1 1 44 44 MET HB2 H 1 2.425 0.008 . 2 . . . . 44 Met HB2 . 17267 1 548 . 1 1 44 44 MET HB3 H 1 2.170 0.003 . 2 . . . . 44 Met HB3 . 17267 1 549 . 1 1 44 44 MET HE1 H 1 2.238 0.009 . 1 . . . . 44 Met HE1 . 17267 1 550 . 1 1 44 44 MET HE2 H 1 2.238 0.009 . 1 . . . . 44 Met HE2 . 17267 1 551 . 1 1 44 44 MET HE3 H 1 2.238 0.009 . 1 . . . . 44 Met HE3 . 17267 1 552 . 1 1 44 44 MET HG2 H 1 2.865 0.005 . 2 . . . . 44 Met HG2 . 17267 1 553 . 1 1 44 44 MET HG3 H 1 2.798 0.006 . 2 . . . . 44 Met HG3 . 17267 1 554 . 1 1 44 44 MET C C 13 177.703 0.008 . 1 . . . . 44 Met C . 17267 1 555 . 1 1 44 44 MET CA C 13 58.757 0.057 . 1 . . . . 44 Met CA . 17267 1 556 . 1 1 44 44 MET CB C 13 32.121 0.020 . 1 . . . . 44 Met CB . 17267 1 557 . 1 1 44 44 MET CE C 13 18.406 0.038 . 1 . . . . 44 Met CE . 17267 1 558 . 1 1 44 44 MET CG C 13 34.364 0.013 . 1 . . . . 44 Met CG . 17267 1 559 . 1 1 44 44 MET N N 15 119.109 0.050 . 1 . . . . 44 Met N . 17267 1 560 . 1 1 45 45 GLN H H 1 8.118 0.010 . 1 . . . . 45 Gln H . 17267 1 561 . 1 1 45 45 GLN HA H 1 4.296 0.005 . 1 . . . . 45 Gln HA . 17267 1 562 . 1 1 45 45 GLN HB2 H 1 2.158 0.003 . 2 . . . . 45 Gln HB2 . 17267 1 563 . 1 1 45 45 GLN HB3 H 1 1.907 0.005 . 2 . . . . 45 Gln HB3 . 17267 1 564 . 1 1 45 45 GLN HE21 H 1 5.404 0.003 . 1 . . . . 45 Gln HE21 . 17267 1 565 . 1 1 45 45 GLN HE22 H 1 6.559 0.003 . 1 . . . . 45 Gln HE22 . 17267 1 566 . 1 1 45 45 GLN HG2 H 1 1.885 0.010 . 2 . . . . 45 Gln HG2 . 17267 1 567 . 1 1 45 45 GLN HG3 H 1 2.405 0.005 . 2 . . . . 45 Gln HG3 . 17267 1 568 . 1 1 45 45 GLN C C 13 179.287 0.002 . 1 . . . . 45 Gln C . 17267 1 569 . 1 1 45 45 GLN CA C 13 59.625 0.047 . 1 . . . . 45 Gln CA . 17267 1 570 . 1 1 45 45 GLN CB C 13 28.664 0.045 . 1 . . . . 45 Gln CB . 17267 1 571 . 1 1 45 45 GLN CG C 13 34.549 0.020 . 1 . . . . 45 Gln CG . 17267 1 572 . 1 1 45 45 GLN N N 15 119.179 0.045 . 1 . . . . 45 Gln N . 17267 1 573 . 1 1 45 45 GLN NE2 N 15 108.236 0.016 . 1 . . . . 45 Gln NE2 . 17267 1 574 . 1 1 46 46 LYS H H 1 7.611 0.008 . 1 . . . . 46 Lys H . 17267 1 575 . 1 1 46 46 LYS HA H 1 3.838 0.003 . 1 . . . . 46 Lys HA . 17267 1 576 . 1 1 46 46 LYS HB2 H 1 2.040 0.007 . 2 . . . . 46 Lys HB2 . 17267 1 577 . 1 1 46 46 LYS HB3 H 1 1.940 0.004 . 2 . . . . 46 Lys HB3 . 17267 1 578 . 1 1 46 46 LYS HD2 H 1 1.695 0.005 . 1 . . . . 46 Lys HD2 . 17267 1 579 . 1 1 46 46 LYS HD3 H 1 1.695 0.005 . 1 . . . . 46 Lys HD3 . 17267 1 580 . 1 1 46 46 LYS HE2 H 1 2.980 0.013 . 1 . . . . 46 Lys HE2 . 17267 1 581 . 1 1 46 46 LYS HE3 H 1 2.975 0.016 . 1 . . . . 46 Lys HE3 . 17267 1 582 . 1 1 46 46 LYS HG2 H 1 1.534 0.004 . 2 . . . . 46 Lys HG2 . 17267 1 583 . 1 1 46 46 LYS HG3 H 1 1.265 0.006 . 2 . . . . 46 Lys HG3 . 17267 1 584 . 1 1 46 46 LYS C C 13 179.078 0.001 . 1 . . . . 46 Lys C . 17267 1 585 . 1 1 46 46 LYS CA C 13 59.805 0.057 . 1 . . . . 46 Lys CA . 17267 1 586 . 1 1 46 46 LYS CB C 13 31.655 0.072 . 1 . . . . 46 Lys CB . 17267 1 587 . 1 1 46 46 LYS CD C 13 29.025 0.000 . 1 . . . . 46 Lys CD . 17267 1 588 . 1 1 46 46 LYS CE C 13 41.923 0.037 . 1 . . . . 46 Lys CE . 17267 1 589 . 1 1 46 46 LYS CG C 13 25.115 0.063 . 1 . . . . 46 Lys CG . 17267 1 590 . 1 1 46 46 LYS N N 15 120.399 0.070 . 1 . . . . 46 Lys N . 17267 1 591 . 1 1 47 47 GLU H H 1 7.929 0.008 . 1 . . . . 47 Glu H . 17267 1 592 . 1 1 47 47 GLU HA H 1 4.197 0.008 . 1 . . . . 47 Glu HA . 17267 1 593 . 1 1 47 47 GLU HB2 H 1 2.280 0.010 . 2 . . . . 47 Glu HB2 . 17267 1 594 . 1 1 47 47 GLU HB3 H 1 2.090 0.009 . 2 . . . . 47 Glu HB3 . 17267 1 595 . 1 1 47 47 GLU HG2 H 1 2.746 0.005 . 1 . . . . 47 Glu HG2 . 17267 1 596 . 1 1 47 47 GLU HG3 H 1 2.747 0.005 . 1 . . . . 47 Glu HG3 . 17267 1 597 . 1 1 47 47 GLU C C 13 179.792 0.000 . 1 . . . . 47 Glu C . 17267 1 598 . 1 1 47 47 GLU CA C 13 59.334 0.063 . 1 . . . . 47 Glu CA . 17267 1 599 . 1 1 47 47 GLU CB C 13 29.475 0.064 . 1 . . . . 47 Glu CB . 17267 1 600 . 1 1 47 47 GLU CG C 13 35.703 0.025 . 1 . . . . 47 Glu CG . 17267 1 601 . 1 1 47 47 GLU N N 15 119.442 0.050 . 1 . . . . 47 Glu N . 17267 1 602 . 1 1 48 48 LEU H H 1 8.776 0.011 . 1 . . . . 48 Leu H . 17267 1 603 . 1 1 48 48 LEU HA H 1 4.033 0.005 . 1 . . . . 48 Leu HA . 17267 1 604 . 1 1 48 48 LEU HB2 H 1 2.281 0.006 . 2 . . . . 48 Leu HB2 . 17267 1 605 . 1 1 48 48 LEU HB3 H 1 1.487 0.004 . 2 . . . . 48 Leu HB3 . 17267 1 606 . 1 1 48 48 LEU HD11 H 1 1.040 0.003 . 2 . . . . 48 Leu HD11 . 17267 1 607 . 1 1 48 48 LEU HD12 H 1 1.040 0.003 . 2 . . . . 48 Leu HD12 . 17267 1 608 . 1 1 48 48 LEU HD13 H 1 1.040 0.003 . 2 . . . . 48 Leu HD13 . 17267 1 609 . 1 1 48 48 LEU HD21 H 1 0.891 0.008 . 2 . . . . 48 Leu HD21 . 17267 1 610 . 1 1 48 48 LEU HD22 H 1 0.891 0.008 . 2 . . . . 48 Leu HD22 . 17267 1 611 . 1 1 48 48 LEU HD23 H 1 0.891 0.008 . 2 . . . . 48 Leu HD23 . 17267 1 612 . 1 1 48 48 LEU HG H 1 1.790 0.008 . 1 . . . . 48 Leu HG . 17267 1 613 . 1 1 48 48 LEU C C 13 180.171 0.026 . 1 . . . . 48 Leu C . 17267 1 614 . 1 1 48 48 LEU CA C 13 58.241 0.057 . 1 . . . . 48 Leu CA . 17267 1 615 . 1 1 48 48 LEU CB C 13 41.618 0.037 . 1 . . . . 48 Leu CB . 17267 1 616 . 1 1 48 48 LEU CD1 C 13 26.458 0.006 . 2 . . . . 48 Leu CD1 . 17267 1 617 . 1 1 48 48 LEU CD2 C 13 25.166 0.008 . 2 . . . . 48 Leu CD2 . 17267 1 618 . 1 1 48 48 LEU CG C 13 28.392 0.027 . 1 . . . . 48 Leu CG . 17267 1 619 . 1 1 48 48 LEU N N 15 117.791 0.047 . 1 . . . . 48 Leu N . 17267 1 620 . 1 1 49 49 SER H H 1 8.203 0.014 . 1 . . . . 49 Ser H . 17267 1 621 . 1 1 49 49 SER HA H 1 4.576 0.005 . 1 . . . . 49 Ser HA . 17267 1 622 . 1 1 49 49 SER HB2 H 1 4.090 0.003 . 2 . . . . 49 Ser HB2 . 17267 1 623 . 1 1 49 49 SER HB3 H 1 4.024 0.004 . 2 . . . . 49 Ser HB3 . 17267 1 624 . 1 1 49 49 SER C C 13 176.956 0.000 . 1 . . . . 49 Ser C . 17267 1 625 . 1 1 49 49 SER CA C 13 61.757 0.061 . 1 . . . . 49 Ser CA . 17267 1 626 . 1 1 49 49 SER CB C 13 62.553 0.070 . 1 . . . . 49 Ser CB . 17267 1 627 . 1 1 49 49 SER N N 15 118.984 0.045 . 1 . . . . 49 Ser N . 17267 1 628 . 1 1 50 50 TYR H H 1 7.798 0.008 . 1 . . . . 50 Tyr H . 17267 1 629 . 1 1 50 50 TYR HA H 1 4.580 0.005 . 1 . . . . 50 Tyr HA . 17267 1 630 . 1 1 50 50 TYR HB2 H 1 3.307 0.007 . 1 . . . . 50 Tyr HB2 . 17267 1 631 . 1 1 50 50 TYR HB3 H 1 3.307 0.007 . 1 . . . . 50 Tyr HB3 . 17267 1 632 . 1 1 50 50 TYR HD1 H 1 7.189 0.005 . 3 . . . . 50 Tyr HD1 . 17267 1 633 . 1 1 50 50 TYR HD2 H 1 7.189 0.005 . 3 . . . . 50 Tyr HD2 . 17267 1 634 . 1 1 50 50 TYR HE1 H 1 6.858 0.004 . 3 . . . . 50 Tyr HE1 . 17267 1 635 . 1 1 50 50 TYR HE2 H 1 6.858 0.004 . 3 . . . . 50 Tyr HE2 . 17267 1 636 . 1 1 50 50 TYR C C 13 179.423 0.010 . 1 . . . . 50 Tyr C . 17267 1 637 . 1 1 50 50 TYR CA C 13 59.275 0.032 . 1 . . . . 50 Tyr CA . 17267 1 638 . 1 1 50 50 TYR CB C 13 37.375 0.029 . 1 . . . . 50 Tyr CB . 17267 1 639 . 1 1 50 50 TYR CD1 C 13 132.897 0.127 . 3 . . . . 50 Tyr CD1 . 17267 1 640 . 1 1 50 50 TYR CD2 C 13 132.897 0.127 . 3 . . . . 50 Tyr CD2 . 17267 1 641 . 1 1 50 50 TYR CE1 C 13 118.250 0.081 . 3 . . . . 50 Tyr CE1 . 17267 1 642 . 1 1 50 50 TYR CE2 C 13 118.250 0.081 . 3 . . . . 50 Tyr CE2 . 17267 1 643 . 1 1 50 50 TYR N N 15 122.775 0.047 . 1 . . . . 50 Tyr N . 17267 1 644 . 1 1 51 51 VAL H H 1 7.900 0.009 . 1 . . . . 51 Val H . 17267 1 645 . 1 1 51 51 VAL HA H 1 3.949 0.007 . 1 . . . . 51 Val HA . 17267 1 646 . 1 1 51 51 VAL HB H 1 2.406 0.005 . 1 . . . . 51 Val HB . 17267 1 647 . 1 1 51 51 VAL HG11 H 1 1.044 0.004 . 2 . . . . 51 Val HG11 . 17267 1 648 . 1 1 51 51 VAL HG12 H 1 1.044 0.004 . 2 . . . . 51 Val HG12 . 17267 1 649 . 1 1 51 51 VAL HG13 H 1 1.044 0.004 . 2 . . . . 51 Val HG13 . 17267 1 650 . 1 1 51 51 VAL HG21 H 1 1.314 0.006 . 2 . . . . 51 Val HG21 . 17267 1 651 . 1 1 51 51 VAL HG22 H 1 1.314 0.006 . 2 . . . . 51 Val HG22 . 17267 1 652 . 1 1 51 51 VAL HG23 H 1 1.314 0.006 . 2 . . . . 51 Val HG23 . 17267 1 653 . 1 1 51 51 VAL C C 13 178.364 0.003 . 1 . . . . 51 Val C . 17267 1 654 . 1 1 51 51 VAL CA C 13 65.267 0.056 . 1 . . . . 51 Val CA . 17267 1 655 . 1 1 51 51 VAL CB C 13 32.294 0.037 . 1 . . . . 51 Val CB . 17267 1 656 . 1 1 51 51 VAL CG1 C 13 22.503 0.020 . 2 . . . . 51 Val CG1 . 17267 1 657 . 1 1 51 51 VAL CG2 C 13 23.774 0.028 . 2 . . . . 51 Val CG2 . 17267 1 658 . 1 1 51 51 VAL N N 15 117.864 0.046 . 1 . . . . 51 Val N . 17267 1 659 . 1 1 52 52 SER H H 1 8.558 0.010 . 1 . . . . 52 Ser H . 17267 1 660 . 1 1 52 52 SER HA H 1 3.944 0.010 . 1 . . . . 52 Ser HA . 17267 1 661 . 1 1 52 52 SER HB2 H 1 4.028 0.007 . 2 . . . . 52 Ser HB2 . 17267 1 662 . 1 1 52 52 SER HB3 H 1 3.631 0.006 . 2 . . . . 52 Ser HB3 . 17267 1 663 . 1 1 52 52 SER C C 13 175.126 0.000 . 1 . . . . 52 Ser C . 17267 1 664 . 1 1 52 52 SER CA C 13 62.539 0.058 . 1 . . . . 52 Ser CA . 17267 1 665 . 1 1 52 52 SER CB C 13 63.101 0.034 . 1 . . . . 52 Ser CB . 17267 1 666 . 1 1 52 52 SER N N 15 115.778 0.065 . 1 . . . . 52 Ser N . 17267 1 667 . 1 1 53 53 LYS H H 1 7.468 0.010 . 1 . . . . 53 Lys H . 17267 1 668 . 1 1 53 53 LYS HA H 1 4.016 0.003 . 1 . . . . 53 Lys HA . 17267 1 669 . 1 1 53 53 LYS HB2 H 1 1.946 0.008 . 1 . . . . 53 Lys HB2 . 17267 1 670 . 1 1 53 53 LYS HB3 H 1 1.946 0.008 . 1 . . . . 53 Lys HB3 . 17267 1 671 . 1 1 53 53 LYS HD2 H 1 1.649 0.007 . 1 . . . . 53 Lys HD2 . 17267 1 672 . 1 1 53 53 LYS HD3 H 1 1.649 0.007 . 1 . . . . 53 Lys HD3 . 17267 1 673 . 1 1 53 53 LYS HE2 H 1 2.932 0.008 . 1 . . . . 53 Lys HE2 . 17267 1 674 . 1 1 53 53 LYS HE3 H 1 2.932 0.008 . 1 . . . . 53 Lys HE3 . 17267 1 675 . 1 1 53 53 LYS HG2 H 1 1.511 0.006 . 1 . . . . 53 Lys HG2 . 17267 1 676 . 1 1 53 53 LYS HG3 H 1 1.511 0.006 . 1 . . . . 53 Lys HG3 . 17267 1 677 . 1 1 53 53 LYS C C 13 177.992 0.000 . 1 . . . . 53 Lys C . 17267 1 678 . 1 1 53 53 LYS CA C 13 59.165 0.069 . 1 . . . . 53 Lys CA . 17267 1 679 . 1 1 53 53 LYS CB C 13 32.449 0.071 . 1 . . . . 53 Lys CB . 17267 1 680 . 1 1 53 53 LYS CD C 13 29.206 0.038 . 1 . . . . 53 Lys CD . 17267 1 681 . 1 1 53 53 LYS CE C 13 41.878 0.044 . 1 . . . . 53 Lys CE . 17267 1 682 . 1 1 53 53 LYS CG C 13 23.941 0.000 . 1 . . . . 53 Lys CG . 17267 1 683 . 1 1 53 53 LYS N N 15 118.535 0.058 . 1 . . . . 53 Lys N . 17267 1 684 . 1 1 54 54 GLU HA H 1 4.492 0.003 . 1 . . . . 54 Glu HA . 17267 1 685 . 1 1 54 54 GLU HB2 H 1 2.335 0.000 . 2 . . . . 54 Glu HB2 . 17267 1 686 . 1 1 54 54 GLU HB3 H 1 2.119 0.000 . 2 . . . . 54 Glu HB3 . 17267 1 687 . 1 1 54 54 GLU HG2 H 1 2.468 0.005 . 2 . . . . 54 Glu HG2 . 17267 1 688 . 1 1 54 54 GLU HG3 H 1 2.293 0.002 . 2 . . . . 54 Glu HG3 . 17267 1 689 . 1 1 54 54 GLU C C 13 176.685 0.000 . 1 . . . . 54 Glu C . 17267 1 690 . 1 1 54 54 GLU CA C 13 56.614 0.089 . 1 . . . . 54 Glu CA . 17267 1 691 . 1 1 54 54 GLU CB C 13 30.035 0.160 . 1 . . . . 54 Glu CB . 17267 1 692 . 1 1 54 54 GLU CG C 13 36.527 0.004 . 1 . . . . 54 Glu CG . 17267 1 693 . 1 1 55 55 ARG H H 1 7.873 0.008 . 1 . . . . 55 Arg H . 17267 1 694 . 1 1 55 55 ARG HA H 1 4.711 0.003 . 1 . . . . 55 Arg HA . 17267 1 695 . 1 1 55 55 ARG HB2 H 1 1.978 0.009 . 2 . . . . 55 Arg HB2 . 17267 1 696 . 1 1 55 55 ARG HB3 H 1 1.807 0.008 . 2 . . . . 55 Arg HB3 . 17267 1 697 . 1 1 55 55 ARG HD2 H 1 3.216 0.006 . 2 . . . . 55 Arg HD2 . 17267 1 698 . 1 1 55 55 ARG HD3 H 1 3.095 0.007 . 2 . . . . 55 Arg HD3 . 17267 1 699 . 1 1 55 55 ARG HG2 H 1 1.802 0.004 . 2 . . . . 55 Arg HG2 . 17267 1 700 . 1 1 55 55 ARG HG3 H 1 1.612 0.005 . 2 . . . . 55 Arg HG3 . 17267 1 701 . 1 1 55 55 ARG C C 13 176.266 0.000 . 1 . . . . 55 Arg C . 17267 1 702 . 1 1 55 55 ARG CA C 13 53.962 0.056 . 1 . . . . 55 Arg CA . 17267 1 703 . 1 1 55 55 ARG CB C 13 31.516 0.087 . 1 . . . . 55 Arg CB . 17267 1 704 . 1 1 55 55 ARG CD C 13 44.101 0.021 . 1 . . . . 55 Arg CD . 17267 1 705 . 1 1 55 55 ARG CG C 13 28.075 0.057 . 1 . . . . 55 Arg CG . 17267 1 706 . 1 1 55 55 ARG N N 15 121.234 0.070 . 1 . . . . 55 Arg N . 17267 1 707 . 1 1 56 56 GLU H H 1 8.540 0.012 . 1 . . . . 56 Glu H . 17267 1 708 . 1 1 56 56 GLU HA H 1 3.975 0.011 . 1 . . . . 56 Glu HA . 17267 1 709 . 1 1 56 56 GLU HB2 H 1 2.013 0.008 . 1 . . . . 56 Glu HB2 . 17267 1 710 . 1 1 56 56 GLU HB3 H 1 2.013 0.008 . 1 . . . . 56 Glu HB3 . 17267 1 711 . 1 1 56 56 GLU HG2 H 1 2.271 0.011 . 1 . . . . 56 Glu HG2 . 17267 1 712 . 1 1 56 56 GLU HG3 H 1 2.271 0.011 . 1 . . . . 56 Glu HG3 . 17267 1 713 . 1 1 56 56 GLU C C 13 178.346 0.005 . 1 . . . . 56 Glu C . 17267 1 714 . 1 1 56 56 GLU CA C 13 59.222 0.084 . 1 . . . . 56 Glu CA . 17267 1 715 . 1 1 56 56 GLU CB C 13 29.170 0.090 . 1 . . . . 56 Glu CB . 17267 1 716 . 1 1 56 56 GLU CG C 13 36.328 0.000 . 1 . . . . 56 Glu CG . 17267 1 717 . 1 1 56 56 GLU N N 15 126.450 0.049 . 1 . . . . 56 Glu N . 17267 1 718 . 1 1 57 57 GLY H H 1 9.935 0.009 . 1 . . . . 57 Gly H . 17267 1 719 . 1 1 57 57 GLY HA2 H 1 4.171 0.007 . 2 . . . . 57 Gly HA2 . 17267 1 720 . 1 1 57 57 GLY HA3 H 1 3.870 0.001 . 2 . . . . 57 Gly HA3 . 17267 1 721 . 1 1 57 57 GLY C C 13 175.493 0.025 . 1 . . . . 57 Gly C . 17267 1 722 . 1 1 57 57 GLY CA C 13 45.497 0.086 . 1 . . . . 57 Gly CA . 17267 1 723 . 1 1 57 57 GLY N N 15 115.240 0.054 . 1 . . . . 57 Gly N . 17267 1 724 . 1 1 58 58 LYS H H 1 7.432 0.008 . 1 . . . . 58 Lys H . 17267 1 725 . 1 1 58 58 LYS HA H 1 4.404 0.005 . 1 . . . . 58 Lys HA . 17267 1 726 . 1 1 58 58 LYS HB2 H 1 2.210 0.007 . 2 . . . . 58 Lys HB2 . 17267 1 727 . 1 1 58 58 LYS HB3 H 1 1.921 0.007 . 2 . . . . 58 Lys HB3 . 17267 1 728 . 1 1 58 58 LYS HD2 H 1 1.704 0.010 . 1 . . . . 58 Lys HD2 . 17267 1 729 . 1 1 58 58 LYS HD3 H 1 1.704 0.010 . 1 . . . . 58 Lys HD3 . 17267 1 730 . 1 1 58 58 LYS HE2 H 1 3.036 0.000 . 1 . . . . 58 Lys HE2 . 17267 1 731 . 1 1 58 58 LYS HE3 H 1 3.036 0.000 . 1 . . . . 58 Lys HE3 . 17267 1 732 . 1 1 58 58 LYS HG2 H 1 1.461 0.007 . 1 . . . . 58 Lys HG2 . 17267 1 733 . 1 1 58 58 LYS HG3 H 1 1.461 0.007 . 1 . . . . 58 Lys HG3 . 17267 1 734 . 1 1 58 58 LYS C C 13 175.546 0.029 . 1 . . . . 58 Lys C . 17267 1 735 . 1 1 58 58 LYS CA C 13 55.666 0.078 . 1 . . . . 58 Lys CA . 17267 1 736 . 1 1 58 58 LYS CB C 13 33.237 0.046 . 1 . . . . 58 Lys CB . 17267 1 737 . 1 1 58 58 LYS CD C 13 28.937 0.000 . 1 . . . . 58 Lys CD . 17267 1 738 . 1 1 58 58 LYS CE C 13 42.111 0.000 . 1 . . . . 58 Lys CE . 17267 1 739 . 1 1 58 58 LYS CG C 13 24.882 0.000 . 1 . . . . 58 Lys CG . 17267 1 740 . 1 1 58 58 LYS N N 15 113.766 0.054 . 1 . . . . 58 Lys N . 17267 1 741 . 1 1 59 59 PHE H H 1 7.165 0.008 . 1 . . . . 59 Phe H . 17267 1 742 . 1 1 59 59 PHE HA H 1 4.739 0.004 . 1 . . . . 59 Phe HA . 17267 1 743 . 1 1 59 59 PHE HB2 H 1 3.301 0.005 . 2 . . . . 59 Phe HB2 . 17267 1 744 . 1 1 59 59 PHE HB3 H 1 2.839 0.006 . 2 . . . . 59 Phe HB3 . 17267 1 745 . 1 1 59 59 PHE HD1 H 1 6.939 0.007 . 3 . . . . 59 Phe HD1 . 17267 1 746 . 1 1 59 59 PHE HD2 H 1 6.939 0.007 . 3 . . . . 59 Phe HD2 . 17267 1 747 . 1 1 59 59 PHE HE1 H 1 7.092 0.006 . 3 . . . . 59 Phe HE1 . 17267 1 748 . 1 1 59 59 PHE HE2 H 1 7.092 0.006 . 3 . . . . 59 Phe HE2 . 17267 1 749 . 1 1 59 59 PHE HZ H 1 7.079 0.005 . 1 . . . . 59 Phe HZ . 17267 1 750 . 1 1 59 59 PHE C C 13 172.244 0.013 . 1 . . . . 59 Phe C . 17267 1 751 . 1 1 59 59 PHE CA C 13 56.257 0.043 . 1 . . . . 59 Phe CA . 17267 1 752 . 1 1 59 59 PHE CB C 13 39.155 0.030 . 1 . . . . 59 Phe CB . 17267 1 753 . 1 1 59 59 PHE CD1 C 13 133.005 0.070 . 3 . . . . 59 Phe CD1 . 17267 1 754 . 1 1 59 59 PHE CD2 C 13 133.005 0.070 . 3 . . . . 59 Phe CD2 . 17267 1 755 . 1 1 59 59 PHE CE1 C 13 130.992 0.034 . 3 . . . . 59 Phe CE1 . 17267 1 756 . 1 1 59 59 PHE CE2 C 13 130.992 0.034 . 3 . . . . 59 Phe CE2 . 17267 1 757 . 1 1 59 59 PHE N N 15 110.613 0.057 . 1 . . . . 59 Phe N . 17267 1 758 . 1 1 60 60 ASN H H 1 9.218 0.009 . 1 . . . . 60 Asn H . 17267 1 759 . 1 1 60 60 ASN HA H 1 5.355 0.003 . 1 . . . . 60 Asn HA . 17267 1 760 . 1 1 60 60 ASN HB2 H 1 2.985 0.007 . 2 . . . . 60 Asn HB2 . 17267 1 761 . 1 1 60 60 ASN HB3 H 1 2.314 0.007 . 2 . . . . 60 Asn HB3 . 17267 1 762 . 1 1 60 60 ASN HD21 H 1 7.673 0.005 . 1 . . . . 60 Asn HD21 . 17267 1 763 . 1 1 60 60 ASN HD22 H 1 7.456 0.003 . 1 . . . . 60 Asn HD22 . 17267 1 764 . 1 1 60 60 ASN C C 13 174.899 0.019 . 1 . . . . 60 Asn C . 17267 1 765 . 1 1 60 60 ASN CA C 13 52.228 0.072 . 1 . . . . 60 Asn CA . 17267 1 766 . 1 1 60 60 ASN CB C 13 43.245 0.049 . 1 . . . . 60 Asn CB . 17267 1 767 . 1 1 60 60 ASN N N 15 115.193 0.051 . 1 . . . . 60 Asn N . 17267 1 768 . 1 1 60 60 ASN ND2 N 15 122.459 0.020 . 1 . . . . 60 Asn ND2 . 17267 1 769 . 1 1 61 61 ILE H H 1 8.741 0.008 . 1 . . . . 61 Ile H . 17267 1 770 . 1 1 61 61 ILE HA H 1 4.966 0.008 . 1 . . . . 61 Ile HA . 17267 1 771 . 1 1 61 61 ILE HB H 1 1.280 0.006 . 1 . . . . 61 Ile HB . 17267 1 772 . 1 1 61 61 ILE HD11 H 1 0.967 0.004 . 1 . . . . 61 Ile HD11 . 17267 1 773 . 1 1 61 61 ILE HD12 H 1 0.967 0.004 . 1 . . . . 61 Ile HD12 . 17267 1 774 . 1 1 61 61 ILE HD13 H 1 0.967 0.004 . 1 . . . . 61 Ile HD13 . 17267 1 775 . 1 1 61 61 ILE HG12 H 1 1.527 0.006 . 2 . . . . 61 Ile HG12 . 17267 1 776 . 1 1 61 61 ILE HG13 H 1 0.789 0.009 . 2 . . . . 61 Ile HG13 . 17267 1 777 . 1 1 61 61 ILE HG21 H 1 0.174 0.003 . 1 . . . . 61 Ile HG21 . 17267 1 778 . 1 1 61 61 ILE HG22 H 1 0.174 0.003 . 1 . . . . 61 Ile HG22 . 17267 1 779 . 1 1 61 61 ILE HG23 H 1 0.174 0.003 . 1 . . . . 61 Ile HG23 . 17267 1 780 . 1 1 61 61 ILE C C 13 173.319 0.013 . 1 . . . . 61 Ile C . 17267 1 781 . 1 1 61 61 ILE CA C 13 60.749 0.053 . 1 . . . . 61 Ile CA . 17267 1 782 . 1 1 61 61 ILE CB C 13 41.619 0.038 . 1 . . . . 61 Ile CB . 17267 1 783 . 1 1 61 61 ILE CD1 C 13 15.255 0.019 . 1 . . . . 61 Ile CD1 . 17267 1 784 . 1 1 61 61 ILE CG1 C 13 28.421 0.041 . 1 . . . . 61 Ile CG1 . 17267 1 785 . 1 1 61 61 ILE CG2 C 13 16.940 0.033 . 1 . . . . 61 Ile CG2 . 17267 1 786 . 1 1 61 61 ILE N N 15 121.425 0.042 . 1 . . . . 61 Ile N . 17267 1 787 . 1 1 62 62 TYR H H 1 8.992 0.012 . 1 . . . . 62 Tyr H . 17267 1 788 . 1 1 62 62 TYR HA H 1 4.887 0.007 . 1 . . . . 62 Tyr HA . 17267 1 789 . 1 1 62 62 TYR HB2 H 1 2.473 0.008 . 1 . . . . 62 Tyr HB2 . 17267 1 790 . 1 1 62 62 TYR HB3 H 1 2.473 0.008 . 1 . . . . 62 Tyr HB3 . 17267 1 791 . 1 1 62 62 TYR HD1 H 1 6.876 0.006 . 3 . . . . 62 Tyr HD1 . 17267 1 792 . 1 1 62 62 TYR HD2 H 1 6.876 0.006 . 3 . . . . 62 Tyr HD2 . 17267 1 793 . 1 1 62 62 TYR HE1 H 1 6.782 0.006 . 3 . . . . 62 Tyr HE1 . 17267 1 794 . 1 1 62 62 TYR HE2 H 1 6.782 0.006 . 3 . . . . 62 Tyr HE2 . 17267 1 795 . 1 1 62 62 TYR C C 13 173.141 0.008 . 1 . . . . 62 Tyr C . 17267 1 796 . 1 1 62 62 TYR CA C 13 55.720 0.039 . 1 . . . . 62 Tyr CA . 17267 1 797 . 1 1 62 62 TYR CB C 13 41.959 0.034 . 1 . . . . 62 Tyr CB . 17267 1 798 . 1 1 62 62 TYR CD1 C 13 132.690 0.036 . 3 . . . . 62 Tyr CD1 . 17267 1 799 . 1 1 62 62 TYR CD2 C 13 132.690 0.036 . 3 . . . . 62 Tyr CD2 . 17267 1 800 . 1 1 62 62 TYR CE1 C 13 118.009 0.162 . 3 . . . . 62 Tyr CE1 . 17267 1 801 . 1 1 62 62 TYR CE2 C 13 118.009 0.162 . 3 . . . . 62 Tyr CE2 . 17267 1 802 . 1 1 62 62 TYR N N 15 126.662 0.050 . 1 . . . . 62 Tyr N . 17267 1 803 . 1 1 63 63 TYR H H 1 8.465 0.009 . 1 . . . . 63 Tyr H . 17267 1 804 . 1 1 63 63 TYR HA H 1 4.761 0.005 . 1 . . . . 63 Tyr HA . 17267 1 805 . 1 1 63 63 TYR HB2 H 1 2.718 0.005 . 2 . . . . 63 Tyr HB2 . 17267 1 806 . 1 1 63 63 TYR HB3 H 1 2.345 0.011 . 2 . . . . 63 Tyr HB3 . 17267 1 807 . 1 1 63 63 TYR HD1 H 1 7.060 0.005 . 3 . . . . 63 Tyr HD1 . 17267 1 808 . 1 1 63 63 TYR HD2 H 1 7.060 0.005 . 3 . . . . 63 Tyr HD2 . 17267 1 809 . 1 1 63 63 TYR HE1 H 1 6.748 0.005 . 3 . . . . 63 Tyr HE1 . 17267 1 810 . 1 1 63 63 TYR HE2 H 1 6.748 0.005 . 3 . . . . 63 Tyr HE2 . 17267 1 811 . 1 1 63 63 TYR C C 13 173.017 0.018 . 1 . . . . 63 Tyr C . 17267 1 812 . 1 1 63 63 TYR CA C 13 56.560 0.089 . 1 . . . . 63 Tyr CA . 17267 1 813 . 1 1 63 63 TYR CB C 13 37.395 0.039 . 1 . . . . 63 Tyr CB . 17267 1 814 . 1 1 63 63 TYR CD1 C 13 132.593 0.052 . 3 . . . . 63 Tyr CD1 . 17267 1 815 . 1 1 63 63 TYR CD2 C 13 132.593 0.052 . 3 . . . . 63 Tyr CD2 . 17267 1 816 . 1 1 63 63 TYR CE1 C 13 118.284 0.054 . 3 . . . . 63 Tyr CE1 . 17267 1 817 . 1 1 63 63 TYR CE2 C 13 118.284 0.054 . 3 . . . . 63 Tyr CE2 . 17267 1 818 . 1 1 63 63 TYR N N 15 127.148 0.087 . 1 . . . . 63 Tyr N . 17267 1 819 . 1 1 64 64 ALA H H 1 8.178 0.008 . 1 . . . . 64 Ala H . 17267 1 820 . 1 1 64 64 ALA HA H 1 3.889 0.004 . 1 . . . . 64 Ala HA . 17267 1 821 . 1 1 64 64 ALA HB1 H 1 0.671 0.005 . 1 . . . . 64 Ala HB1 . 17267 1 822 . 1 1 64 64 ALA HB2 H 1 0.671 0.005 . 1 . . . . 64 Ala HB2 . 17267 1 823 . 1 1 64 64 ALA HB3 H 1 0.671 0.005 . 1 . . . . 64 Ala HB3 . 17267 1 824 . 1 1 64 64 ALA C C 13 175.051 0.015 . 1 . . . . 64 Ala C . 17267 1 825 . 1 1 64 64 ALA CA C 13 49.920 0.068 . 1 . . . . 64 Ala CA . 17267 1 826 . 1 1 64 64 ALA CB C 13 20.192 0.042 . 1 . . . . 64 Ala CB . 17267 1 827 . 1 1 64 64 ALA N N 15 128.701 0.038 . 1 . . . . 64 Ala N . 17267 1 828 . 1 1 65 65 ARG H H 1 8.291 0.008 . 1 . . . . 65 Arg H . 17267 1 829 . 1 1 65 65 ARG HA H 1 4.348 0.009 . 1 . . . . 65 Arg HA . 17267 1 830 . 1 1 65 65 ARG HB2 H 1 2.398 0.009 . 2 . . . . 65 Arg HB2 . 17267 1 831 . 1 1 65 65 ARG HB3 H 1 1.750 0.005 . 2 . . . . 65 Arg HB3 . 17267 1 832 . 1 1 65 65 ARG HD2 H 1 3.373 0.005 . 1 . . . . 65 Arg HD2 . 17267 1 833 . 1 1 65 65 ARG HD3 H 1 3.373 0.005 . 1 . . . . 65 Arg HD3 . 17267 1 834 . 1 1 65 65 ARG HE H 1 7.366 0.004 . 1 . . . . 65 Arg HE . 17267 1 835 . 1 1 65 65 ARG HG2 H 1 1.788 0.018 . 2 . . . . 65 Arg HG2 . 17267 1 836 . 1 1 65 65 ARG HG3 H 1 1.532 0.009 . 2 . . . . 65 Arg HG3 . 17267 1 837 . 1 1 65 65 ARG C C 13 179.166 0.022 . 1 . . . . 65 Arg C . 17267 1 838 . 1 1 65 65 ARG CA C 13 56.734 0.103 . 1 . . . . 65 Arg CA . 17267 1 839 . 1 1 65 65 ARG CB C 13 29.516 0.056 . 1 . . . . 65 Arg CB . 17267 1 840 . 1 1 65 65 ARG CD C 13 43.496 0.010 . 1 . . . . 65 Arg CD . 17267 1 841 . 1 1 65 65 ARG CG C 13 27.989 0.021 . 1 . . . . 65 Arg CG . 17267 1 842 . 1 1 65 65 ARG N N 15 123.885 0.057 . 1 . . . . 65 Arg N . 17267 1 843 . 1 1 65 65 ARG NE N 15 114.934 0.000 . 1 . . . . 65 Arg NE . 17267 1 844 . 1 1 66 66 LEU H H 1 9.352 0.008 . 1 . . . . 66 Leu H . 17267 1 845 . 1 1 66 66 LEU HA H 1 4.245 0.004 . 1 . . . . 66 Leu HA . 17267 1 846 . 1 1 66 66 LEU HB2 H 1 1.718 0.005 . 2 . . . . 66 Leu HB2 . 17267 1 847 . 1 1 66 66 LEU HB3 H 1 1.602 0.005 . 2 . . . . 66 Leu HB3 . 17267 1 848 . 1 1 66 66 LEU HD11 H 1 0.924 0.008 . 2 . . . . 66 Leu HD11 . 17267 1 849 . 1 1 66 66 LEU HD12 H 1 0.924 0.008 . 2 . . . . 66 Leu HD12 . 17267 1 850 . 1 1 66 66 LEU HD13 H 1 0.924 0.008 . 2 . . . . 66 Leu HD13 . 17267 1 851 . 1 1 66 66 LEU HD21 H 1 0.841 0.003 . 2 . . . . 66 Leu HD21 . 17267 1 852 . 1 1 66 66 LEU HD22 H 1 0.841 0.003 . 2 . . . . 66 Leu HD22 . 17267 1 853 . 1 1 66 66 LEU HD23 H 1 0.841 0.003 . 2 . . . . 66 Leu HD23 . 17267 1 854 . 1 1 66 66 LEU HG H 1 1.957 0.005 . 1 . . . . 66 Leu HG . 17267 1 855 . 1 1 66 66 LEU C C 13 177.353 0.033 . 1 . . . . 66 Leu C . 17267 1 856 . 1 1 66 66 LEU CA C 13 56.827 0.071 . 1 . . . . 66 Leu CA . 17267 1 857 . 1 1 66 66 LEU CB C 13 40.610 0.033 . 1 . . . . 66 Leu CB . 17267 1 858 . 1 1 66 66 LEU CD1 C 13 23.319 0.043 . 2 . . . . 66 Leu CD1 . 17267 1 859 . 1 1 66 66 LEU CD2 C 13 25.846 0.015 . 2 . . . . 66 Leu CD2 . 17267 1 860 . 1 1 66 66 LEU CG C 13 27.338 0.013 . 1 . . . . 66 Leu CG . 17267 1 861 . 1 1 66 66 LEU N N 15 128.708 0.036 . 1 . . . . 66 Leu N . 17267 1 862 . 1 1 67 67 GLU H H 1 9.963 0.009 . 1 . . . . 67 Glu H . 17267 1 863 . 1 1 67 67 GLU HA H 1 4.005 0.002 . 1 . . . . 67 Glu HA . 17267 1 864 . 1 1 67 67 GLU HB2 H 1 1.990 0.000 . 1 . . . . 67 Glu HB2 . 17267 1 865 . 1 1 67 67 GLU HB3 H 1 1.990 0.000 . 1 . . . . 67 Glu HB3 . 17267 1 866 . 1 1 67 67 GLU HG2 H 1 2.279 0.006 . 1 . . . . 67 Glu HG2 . 17267 1 867 . 1 1 67 67 GLU HG3 H 1 2.279 0.006 . 1 . . . . 67 Glu HG3 . 17267 1 868 . 1 1 67 67 GLU C C 13 177.549 0.016 . 1 . . . . 67 Glu C . 17267 1 869 . 1 1 67 67 GLU CA C 13 60.025 0.087 . 1 . . . . 67 Glu CA . 17267 1 870 . 1 1 67 67 GLU CB C 13 29.556 0.072 . 1 . . . . 67 Glu CB . 17267 1 871 . 1 1 67 67 GLU CG C 13 36.330 0.000 . 1 . . . . 67 Glu CG . 17267 1 872 . 1 1 67 67 GLU N N 15 118.177 0.042 . 1 . . . . 67 Glu N . 17267 1 873 . 1 1 68 68 GLU H H 1 7.641 0.010 . 1 . . . . 68 Glu H . 17267 1 874 . 1 1 68 68 GLU HA H 1 4.611 0.004 . 1 . . . . 68 Glu HA . 17267 1 875 . 1 1 68 68 GLU HB2 H 1 2.257 0.011 . 2 . . . . 68 Glu HB2 . 17267 1 876 . 1 1 68 68 GLU HB3 H 1 2.164 0.008 . 2 . . . . 68 Glu HB3 . 17267 1 877 . 1 1 68 68 GLU HG2 H 1 2.306 0.012 . 1 . . . . 68 Glu HG2 . 17267 1 878 . 1 1 68 68 GLU HG3 H 1 2.306 0.012 . 1 . . . . 68 Glu HG3 . 17267 1 879 . 1 1 68 68 GLU C C 13 176.652 0.000 . 1 . . . . 68 Glu C . 17267 1 880 . 1 1 68 68 GLU CA C 13 55.573 0.079 . 1 . . . . 68 Glu CA . 17267 1 881 . 1 1 68 68 GLU CB C 13 30.754 0.035 . 1 . . . . 68 Glu CB . 17267 1 882 . 1 1 68 68 GLU CG C 13 36.795 0.000 . 1 . . . . 68 Glu CG . 17267 1 883 . 1 1 68 68 GLU N N 15 117.516 0.079 . 1 . . . . 68 Glu N . 17267 1 884 . 1 1 69 69 GLU H H 1 9.043 0.013 . 1 . . . . 69 Glu H . 17267 1 885 . 1 1 69 69 GLU HA H 1 4.064 0.004 . 1 . . . . 69 Glu HA . 17267 1 886 . 1 1 69 69 GLU HB2 H 1 2.169 0.006 . 1 . . . . 69 Glu HB2 . 17267 1 887 . 1 1 69 69 GLU HB3 H 1 2.169 0.006 . 1 . . . . 69 Glu HB3 . 17267 1 888 . 1 1 69 69 GLU HG2 H 1 2.435 0.007 . 1 . . . . 69 Glu HG2 . 17267 1 889 . 1 1 69 69 GLU HG3 H 1 2.435 0.007 . 1 . . . . 69 Glu HG3 . 17267 1 890 . 1 1 69 69 GLU C C 13 178.823 0.015 . 1 . . . . 69 Glu C . 17267 1 891 . 1 1 69 69 GLU CA C 13 59.744 0.060 . 1 . . . . 69 Glu CA . 17267 1 892 . 1 1 69 69 GLU CB C 13 29.508 0.083 . 1 . . . . 69 Glu CB . 17267 1 893 . 1 1 69 69 GLU CG C 13 36.450 0.011 . 1 . . . . 69 Glu CG . 17267 1 894 . 1 1 69 69 GLU N N 15 127.149 0.090 . 1 . . . . 69 Glu N . 17267 1 895 . 1 1 70 70 LYS H H 1 8.874 0.009 . 1 . . . . 70 Lys H . 17267 1 896 . 1 1 70 70 LYS HA H 1 4.415 0.002 . 1 . . . . 70 Lys HA . 17267 1 897 . 1 1 70 70 LYS HB2 H 1 2.086 0.005 . 2 . . . . 70 Lys HB2 . 17267 1 898 . 1 1 70 70 LYS HB3 H 1 1.998 0.006 . 2 . . . . 70 Lys HB3 . 17267 1 899 . 1 1 70 70 LYS HD2 H 1 1.851 0.005 . 1 . . . . 70 Lys HD2 . 17267 1 900 . 1 1 70 70 LYS HD3 H 1 1.851 0.005 . 1 . . . . 70 Lys HD3 . 17267 1 901 . 1 1 70 70 LYS HE2 H 1 3.243 0.002 . 1 . . . . 70 Lys HE2 . 17267 1 902 . 1 1 70 70 LYS HE3 H 1 3.243 0.002 . 1 . . . . 70 Lys HE3 . 17267 1 903 . 1 1 70 70 LYS HG2 H 1 1.505 0.009 . 2 . . . . 70 Lys HG2 . 17267 1 904 . 1 1 70 70 LYS HG3 H 1 1.273 0.006 . 2 . . . . 70 Lys HG3 . 17267 1 905 . 1 1 70 70 LYS C C 13 177.497 0.014 . 1 . . . . 70 Lys C . 17267 1 906 . 1 1 70 70 LYS CA C 13 58.405 0.065 . 1 . . . . 70 Lys CA . 17267 1 907 . 1 1 70 70 LYS CB C 13 31.256 0.040 . 1 . . . . 70 Lys CB . 17267 1 908 . 1 1 70 70 LYS CD C 13 29.778 0.013 . 1 . . . . 70 Lys CD . 17267 1 909 . 1 1 70 70 LYS CE C 13 42.113 0.012 . 1 . . . . 70 Lys CE . 17267 1 910 . 1 1 70 70 LYS CG C 13 23.924 0.031 . 1 . . . . 70 Lys CG . 17267 1 911 . 1 1 70 70 LYS N N 15 117.199 0.047 . 1 . . . . 70 Lys N . 17267 1 912 . 1 1 71 71 ASN H H 1 8.115 0.009 . 1 . . . . 71 Asn H . 17267 1 913 . 1 1 71 71 ASN HA H 1 5.282 0.003 . 1 . . . . 71 Asn HA . 17267 1 914 . 1 1 71 71 ASN HB2 H 1 3.175 0.005 . 2 . . . . 71 Asn HB2 . 17267 1 915 . 1 1 71 71 ASN HB3 H 1 2.851 0.006 . 2 . . . . 71 Asn HB3 . 17267 1 916 . 1 1 71 71 ASN HD21 H 1 8.492 0.004 . 1 . . . . 71 Asn HD21 . 17267 1 917 . 1 1 71 71 ASN HD22 H 1 7.802 0.006 . 1 . . . . 71 Asn HD22 . 17267 1 918 . 1 1 71 71 ASN C C 13 176.140 0.004 . 1 . . . . 71 Asn C . 17267 1 919 . 1 1 71 71 ASN CA C 13 53.888 0.065 . 1 . . . . 71 Asn CA . 17267 1 920 . 1 1 71 71 ASN CB C 13 39.355 0.084 . 1 . . . . 71 Asn CB . 17267 1 921 . 1 1 71 71 ASN N N 15 116.534 0.045 . 1 . . . . 71 Asn N . 17267 1 922 . 1 1 71 71 ASN ND2 N 15 118.740 0.061 . 1 . . . . 71 Asn ND2 . 17267 1 923 . 1 1 72 72 ILE H H 1 7.853 0.008 . 1 . . . . 72 Ile H . 17267 1 924 . 1 1 72 72 ILE HA H 1 3.776 0.004 . 1 . . . . 72 Ile HA . 17267 1 925 . 1 1 72 72 ILE HB H 1 2.114 0.003 . 1 . . . . 72 Ile HB . 17267 1 926 . 1 1 72 72 ILE HD11 H 1 0.972 0.006 . 1 . . . . 72 Ile HD11 . 17267 1 927 . 1 1 72 72 ILE HD12 H 1 0.972 0.006 . 1 . . . . 72 Ile HD12 . 17267 1 928 . 1 1 72 72 ILE HD13 H 1 0.972 0.006 . 1 . . . . 72 Ile HD13 . 17267 1 929 . 1 1 72 72 ILE HG12 H 1 1.774 0.006 . 2 . . . . 72 Ile HG12 . 17267 1 930 . 1 1 72 72 ILE HG13 H 1 1.332 0.006 . 2 . . . . 72 Ile HG13 . 17267 1 931 . 1 1 72 72 ILE HG21 H 1 0.956 0.004 . 1 . . . . 72 Ile HG21 . 17267 1 932 . 1 1 72 72 ILE HG22 H 1 0.956 0.004 . 1 . . . . 72 Ile HG22 . 17267 1 933 . 1 1 72 72 ILE HG23 H 1 0.956 0.004 . 1 . . . . 72 Ile HG23 . 17267 1 934 . 1 1 72 72 ILE C C 13 178.406 0.013 . 1 . . . . 72 Ile C . 17267 1 935 . 1 1 72 72 ILE CA C 13 65.353 0.063 . 1 . . . . 72 Ile CA . 17267 1 936 . 1 1 72 72 ILE CB C 13 37.387 0.074 . 1 . . . . 72 Ile CB . 17267 1 937 . 1 1 72 72 ILE CD1 C 13 12.682 0.040 . 1 . . . . 72 Ile CD1 . 17267 1 938 . 1 1 72 72 ILE CG1 C 13 29.068 0.018 . 1 . . . . 72 Ile CG1 . 17267 1 939 . 1 1 72 72 ILE CG2 C 13 17.178 0.027 . 1 . . . . 72 Ile CG2 . 17267 1 940 . 1 1 72 72 ILE N N 15 124.080 0.040 . 1 . . . . 72 Ile N . 17267 1 941 . 1 1 73 73 ASP H H 1 8.257 0.009 . 1 . . . . 73 Asp H . 17267 1 942 . 1 1 73 73 ASP HA H 1 4.592 0.002 . 1 . . . . 73 Asp HA . 17267 1 943 . 1 1 73 73 ASP HB2 H 1 2.721 0.017 . 2 . . . . 73 Asp HB2 . 17267 1 944 . 1 1 73 73 ASP HB3 H 1 2.757 0.007 . 2 . . . . 73 Asp HB3 . 17267 1 945 . 1 1 73 73 ASP C C 13 179.432 0.004 . 1 . . . . 73 Asp C . 17267 1 946 . 1 1 73 73 ASP CA C 13 57.663 0.065 . 1 . . . . 73 Asp CA . 17267 1 947 . 1 1 73 73 ASP CB C 13 40.297 0.050 . 1 . . . . 73 Asp CB . 17267 1 948 . 1 1 73 73 ASP N N 15 120.002 0.048 . 1 . . . . 73 Asp N . 17267 1 949 . 1 1 74 74 LEU H H 1 7.687 0.007 . 1 . . . . 74 Leu H . 17267 1 950 . 1 1 74 74 LEU HA H 1 4.234 0.005 . 1 . . . . 74 Leu HA . 17267 1 951 . 1 1 74 74 LEU HB2 H 1 2.154 0.008 . 1 . . . . 74 Leu HB2 . 17267 1 952 . 1 1 74 74 LEU HB3 H 1 2.152 0.005 . 1 . . . . 74 Leu HB3 . 17267 1 953 . 1 1 74 74 LEU HD11 H 1 1.258 0.006 . 2 . . . . 74 Leu HD11 . 17267 1 954 . 1 1 74 74 LEU HD12 H 1 1.258 0.006 . 2 . . . . 74 Leu HD12 . 17267 1 955 . 1 1 74 74 LEU HD13 H 1 1.258 0.006 . 2 . . . . 74 Leu HD13 . 17267 1 956 . 1 1 74 74 LEU HD21 H 1 1.170 0.005 . 2 . . . . 74 Leu HD21 . 17267 1 957 . 1 1 74 74 LEU HD22 H 1 1.170 0.005 . 2 . . . . 74 Leu HD22 . 17267 1 958 . 1 1 74 74 LEU HD23 H 1 1.170 0.005 . 2 . . . . 74 Leu HD23 . 17267 1 959 . 1 1 74 74 LEU HG H 1 2.160 0.006 . 1 . . . . 74 Leu HG . 17267 1 960 . 1 1 74 74 LEU C C 13 177.948 0.007 . 1 . . . . 74 Leu C . 17267 1 961 . 1 1 74 74 LEU CA C 13 57.724 0.067 . 1 . . . . 74 Leu CA . 17267 1 962 . 1 1 74 74 LEU CB C 13 43.228 0.044 . 1 . . . . 74 Leu CB . 17267 1 963 . 1 1 74 74 LEU CD1 C 13 25.061 0.014 . 2 . . . . 74 Leu CD1 . 17267 1 964 . 1 1 74 74 LEU CD2 C 13 25.596 0.024 . 2 . . . . 74 Leu CD2 . 17267 1 965 . 1 1 74 74 LEU CG C 13 27.423 0.018 . 1 . . . . 74 Leu CG . 17267 1 966 . 1 1 74 74 LEU N N 15 122.237 0.056 . 1 . . . . 74 Leu N . 17267 1 967 . 1 1 75 75 ALA H H 1 8.380 0.009 . 1 . . . . 75 Ala H . 17267 1 968 . 1 1 75 75 ALA HA H 1 3.487 0.002 . 1 . . . . 75 Ala HA . 17267 1 969 . 1 1 75 75 ALA HB1 H 1 1.289 0.005 . 1 . . . . 75 Ala HB1 . 17267 1 970 . 1 1 75 75 ALA HB2 H 1 1.289 0.005 . 1 . . . . 75 Ala HB2 . 17267 1 971 . 1 1 75 75 ALA HB3 H 1 1.289 0.005 . 1 . . . . 75 Ala HB3 . 17267 1 972 . 1 1 75 75 ALA C C 13 180.426 0.000 . 1 . . . . 75 Ala C . 17267 1 973 . 1 1 75 75 ALA CA C 13 55.073 0.063 . 1 . . . . 75 Ala CA . 17267 1 974 . 1 1 75 75 ALA CB C 13 17.626 0.065 . 1 . . . . 75 Ala CB . 17267 1 975 . 1 1 75 75 ALA N N 15 120.912 0.051 . 1 . . . . 75 Ala N . 17267 1 976 . 1 1 76 76 TYR H H 1 7.966 0.010 . 1 . . . . 76 Tyr H . 17267 1 977 . 1 1 76 76 TYR HA H 1 4.334 0.011 . 1 . . . . 76 Tyr HA . 17267 1 978 . 1 1 76 76 TYR HB2 H 1 3.191 0.005 . 1 . . . . 76 Tyr HB2 . 17267 1 979 . 1 1 76 76 TYR HB3 H 1 3.191 0.004 . 1 . . . . 76 Tyr HB3 . 17267 1 980 . 1 1 76 76 TYR HD1 H 1 7.189 0.004 . 3 . . . . 76 Tyr HD1 . 17267 1 981 . 1 1 76 76 TYR HD2 H 1 7.189 0.004 . 3 . . . . 76 Tyr HD2 . 17267 1 982 . 1 1 76 76 TYR HE1 H 1 6.822 0.001 . 3 . . . . 76 Tyr HE1 . 17267 1 983 . 1 1 76 76 TYR HE2 H 1 6.822 0.001 . 3 . . . . 76 Tyr HE2 . 17267 1 984 . 1 1 76 76 TYR C C 13 179.275 0.002 . 1 . . . . 76 Tyr C . 17267 1 985 . 1 1 76 76 TYR CA C 13 60.530 0.084 . 1 . . . . 76 Tyr CA . 17267 1 986 . 1 1 76 76 TYR CB C 13 37.920 0.053 . 1 . . . . 76 Tyr CB . 17267 1 987 . 1 1 76 76 TYR CD1 C 13 133.021 0.085 . 3 . . . . 76 Tyr CD1 . 17267 1 988 . 1 1 76 76 TYR CD2 C 13 133.021 0.085 . 3 . . . . 76 Tyr CD2 . 17267 1 989 . 1 1 76 76 TYR CE1 C 13 118.239 0.030 . 3 . . . . 76 Tyr CE1 . 17267 1 990 . 1 1 76 76 TYR CE2 C 13 118.239 0.030 . 3 . . . . 76 Tyr CE2 . 17267 1 991 . 1 1 76 76 TYR N N 15 117.768 0.061 . 1 . . . . 76 Tyr N . 17267 1 992 . 1 1 77 77 LYS H H 1 8.009 0.011 . 1 . . . . 77 Lys H . 17267 1 993 . 1 1 77 77 LYS HA H 1 3.808 0.005 . 1 . . . . 77 Lys HA . 17267 1 994 . 1 1 77 77 LYS HB2 H 1 1.800 0.007 . 2 . . . . 77 Lys HB2 . 17267 1 995 . 1 1 77 77 LYS HB3 H 1 1.685 0.004 . 2 . . . . 77 Lys HB3 . 17267 1 996 . 1 1 77 77 LYS HD2 H 1 1.535 0.002 . 2 . . . . 77 Lys HD2 . 17267 1 997 . 1 1 77 77 LYS HD3 H 1 1.445 0.005 . 2 . . . . 77 Lys HD3 . 17267 1 998 . 1 1 77 77 LYS HE2 H 1 2.886 0.005 . 1 . . . . 77 Lys HE2 . 17267 1 999 . 1 1 77 77 LYS HE3 H 1 2.889 0.010 . 1 . . . . 77 Lys HE3 . 17267 1 1000 . 1 1 77 77 LYS HG2 H 1 1.185 0.003 . 2 . . . . 77 Lys HG2 . 17267 1 1001 . 1 1 77 77 LYS HG3 H 1 0.610 0.002 . 2 . . . . 77 Lys HG3 . 17267 1 1002 . 1 1 77 77 LYS C C 13 177.842 0.007 . 1 . . . . 77 Lys C . 17267 1 1003 . 1 1 77 77 LYS CA C 13 59.189 0.068 . 1 . . . . 77 Lys CA . 17267 1 1004 . 1 1 77 77 LYS CB C 13 32.318 0.063 . 1 . . . . 77 Lys CB . 17267 1 1005 . 1 1 77 77 LYS CD C 13 29.700 0.036 . 1 . . . . 77 Lys CD . 17267 1 1006 . 1 1 77 77 LYS CE C 13 41.902 0.044 . 1 . . . . 77 Lys CE . 17267 1 1007 . 1 1 77 77 LYS CG C 13 24.673 0.021 . 1 . . . . 77 Lys CG . 17267 1 1008 . 1 1 77 77 LYS N N 15 120.946 0.046 . 1 . . . . 77 Lys N . 17267 1 1009 . 1 1 78 78 TYR H H 1 7.311 0.007 . 1 . . . . 78 Tyr H . 17267 1 1010 . 1 1 78 78 TYR HA H 1 4.732 0.005 . 1 . . . . 78 Tyr HA . 17267 1 1011 . 1 1 78 78 TYR HB2 H 1 3.482 0.006 . 2 . . . . 78 Tyr HB2 . 17267 1 1012 . 1 1 78 78 TYR HB3 H 1 2.443 0.008 . 2 . . . . 78 Tyr HB3 . 17267 1 1013 . 1 1 78 78 TYR HD1 H 1 7.311 0.006 . 3 . . . . 78 Tyr HD1 . 17267 1 1014 . 1 1 78 78 TYR HD2 H 1 7.311 0.006 . 3 . . . . 78 Tyr HD2 . 17267 1 1015 . 1 1 78 78 TYR HE1 H 1 6.787 0.005 . 3 . . . . 78 Tyr HE1 . 17267 1 1016 . 1 1 78 78 TYR HE2 H 1 6.787 0.005 . 3 . . . . 78 Tyr HE2 . 17267 1 1017 . 1 1 78 78 TYR C C 13 173.322 0.007 . 1 . . . . 78 Tyr C . 17267 1 1018 . 1 1 78 78 TYR CA C 13 57.582 0.069 . 1 . . . . 78 Tyr CA . 17267 1 1019 . 1 1 78 78 TYR CB C 13 38.487 0.027 . 1 . . . . 78 Tyr CB . 17267 1 1020 . 1 1 78 78 TYR CD1 C 13 133.163 0.065 . 3 . . . . 78 Tyr CD1 . 17267 1 1021 . 1 1 78 78 TYR CD2 C 13 133.163 0.065 . 3 . . . . 78 Tyr CD2 . 17267 1 1022 . 1 1 78 78 TYR CE1 C 13 117.637 0.141 . 3 . . . . 78 Tyr CE1 . 17267 1 1023 . 1 1 78 78 TYR CE2 C 13 117.637 0.141 . 3 . . . . 78 Tyr CE2 . 17267 1 1024 . 1 1 78 78 TYR N N 15 113.795 0.052 . 1 . . . . 78 Tyr N . 17267 1 1025 . 1 1 79 79 ASP H H 1 7.587 0.010 . 1 . . . . 79 Asp H . 17267 1 1026 . 1 1 79 79 ASP HA H 1 4.151 0.004 . 1 . . . . 79 Asp HA . 17267 1 1027 . 1 1 79 79 ASP HB2 H 1 3.005 0.004 . 2 . . . . 79 Asp HB2 . 17267 1 1028 . 1 1 79 79 ASP HB3 H 1 2.484 0.001 . 2 . . . . 79 Asp HB3 . 17267 1 1029 . 1 1 79 79 ASP C C 13 175.173 0.001 . 1 . . . . 79 Asp C . 17267 1 1030 . 1 1 79 79 ASP CA C 13 55.033 0.079 . 1 . . . . 79 Asp CA . 17267 1 1031 . 1 1 79 79 ASP CB C 13 39.590 0.043 . 1 . . . . 79 Asp CB . 17267 1 1032 . 1 1 79 79 ASP N N 15 118.898 0.083 . 1 . . . . 79 Asp N . 17267 1 1033 . 1 1 80 80 ALA H H 1 8.084 0.007 . 1 . . . . 80 Ala H . 17267 1 1034 . 1 1 80 80 ALA HA H 1 4.376 0.005 . 1 . . . . 80 Ala HA . 17267 1 1035 . 1 1 80 80 ALA HB1 H 1 0.467 0.006 . 1 . . . . 80 Ala HB1 . 17267 1 1036 . 1 1 80 80 ALA HB2 H 1 0.467 0.006 . 1 . . . . 80 Ala HB2 . 17267 1 1037 . 1 1 80 80 ALA HB3 H 1 0.467 0.006 . 1 . . . . 80 Ala HB3 . 17267 1 1038 . 1 1 80 80 ALA C C 13 175.431 0.019 . 1 . . . . 80 Ala C . 17267 1 1039 . 1 1 80 80 ALA CA C 13 51.027 0.091 . 1 . . . . 80 Ala CA . 17267 1 1040 . 1 1 80 80 ALA CB C 13 17.332 0.033 . 1 . . . . 80 Ala CB . 17267 1 1041 . 1 1 80 80 ALA N N 15 121.000 0.045 . 1 . . . . 80 Ala N . 17267 1 1042 . 1 1 81 81 ASN H H 1 8.272 0.009 . 1 . . . . 81 Asn H . 17267 1 1043 . 1 1 81 81 ASN HA H 1 4.506 0.004 . 1 . . . . 81 Asn HA . 17267 1 1044 . 1 1 81 81 ASN HB2 H 1 2.706 0.009 . 2 . . . . 81 Asn HB2 . 17267 1 1045 . 1 1 81 81 ASN HB3 H 1 2.671 0.017 . 2 . . . . 81 Asn HB3 . 17267 1 1046 . 1 1 81 81 ASN HD21 H 1 7.441 0.004 . 1 . . . . 81 Asn HD21 . 17267 1 1047 . 1 1 81 81 ASN HD22 H 1 6.787 0.004 . 1 . . . . 81 Asn HD22 . 17267 1 1048 . 1 1 81 81 ASN C C 13 174.453 0.029 . 1 . . . . 81 Asn C . 17267 1 1049 . 1 1 81 81 ASN CA C 13 54.124 0.088 . 1 . . . . 81 Asn CA . 17267 1 1050 . 1 1 81 81 ASN CB C 13 39.564 0.085 . 1 . . . . 81 Asn CB . 17267 1 1051 . 1 1 81 81 ASN N N 15 118.728 0.055 . 1 . . . . 81 Asn N . 17267 1 1052 . 1 1 81 81 ASN ND2 N 15 113.708 0.050 . 1 . . . . 81 Asn ND2 . 17267 1 1053 . 1 1 82 82 ILE H H 1 7.570 0.009 . 1 . . . . 82 Ile H . 17267 1 1054 . 1 1 82 82 ILE HA H 1 4.371 0.005 . 1 . . . . 82 Ile HA . 17267 1 1055 . 1 1 82 82 ILE HB H 1 1.696 0.003 . 1 . . . . 82 Ile HB . 17267 1 1056 . 1 1 82 82 ILE HD11 H 1 0.803 0.007 . 1 . . . . 82 Ile HD11 . 17267 1 1057 . 1 1 82 82 ILE HD12 H 1 0.803 0.007 . 1 . . . . 82 Ile HD12 . 17267 1 1058 . 1 1 82 82 ILE HD13 H 1 0.803 0.007 . 1 . . . . 82 Ile HD13 . 17267 1 1059 . 1 1 82 82 ILE HG12 H 1 1.347 0.004 . 2 . . . . 82 Ile HG12 . 17267 1 1060 . 1 1 82 82 ILE HG13 H 1 1.126 0.009 . 2 . . . . 82 Ile HG13 . 17267 1 1061 . 1 1 82 82 ILE HG21 H 1 0.815 0.003 . 1 . . . . 82 Ile HG21 . 17267 1 1062 . 1 1 82 82 ILE HG22 H 1 0.815 0.003 . 1 . . . . 82 Ile HG22 . 17267 1 1063 . 1 1 82 82 ILE HG23 H 1 0.815 0.003 . 1 . . . . 82 Ile HG23 . 17267 1 1064 . 1 1 82 82 ILE C C 13 175.214 0.000 . 1 . . . . 82 Ile C . 17267 1 1065 . 1 1 82 82 ILE CA C 13 59.456 0.066 . 1 . . . . 82 Ile CA . 17267 1 1066 . 1 1 82 82 ILE CB C 13 40.648 0.055 . 1 . . . . 82 Ile CB . 17267 1 1067 . 1 1 82 82 ILE CD1 C 13 12.876 0.008 . 1 . . . . 82 Ile CD1 . 17267 1 1068 . 1 1 82 82 ILE CG1 C 13 27.083 0.015 . 1 . . . . 82 Ile CG1 . 17267 1 1069 . 1 1 82 82 ILE CG2 C 13 17.514 0.026 . 1 . . . . 82 Ile CG2 . 17267 1 1070 . 1 1 82 82 ILE N N 15 118.774 0.043 . 1 . . . . 82 Ile N . 17267 1 1071 . 1 1 83 83 VAL H H 1 8.328 0.010 . 1 . . . . 83 Val H . 17267 1 1072 . 1 1 83 83 VAL HA H 1 4.838 0.002 . 1 . . . . 83 Val HA . 17267 1 1073 . 1 1 83 83 VAL HB H 1 2.212 0.004 . 1 . . . . 83 Val HB . 17267 1 1074 . 1 1 83 83 VAL HG11 H 1 1.125 0.004 . 2 . . . . 83 Val HG11 . 17267 1 1075 . 1 1 83 83 VAL HG12 H 1 1.125 0.004 . 2 . . . . 83 Val HG12 . 17267 1 1076 . 1 1 83 83 VAL HG13 H 1 1.125 0.004 . 2 . . . . 83 Val HG13 . 17267 1 1077 . 1 1 83 83 VAL HG21 H 1 0.892 0.011 . 2 . . . . 83 Val HG21 . 17267 1 1078 . 1 1 83 83 VAL HG22 H 1 0.892 0.011 . 2 . . . . 83 Val HG22 . 17267 1 1079 . 1 1 83 83 VAL HG23 H 1 0.892 0.011 . 2 . . . . 83 Val HG23 . 17267 1 1080 . 1 1 83 83 VAL C C 13 174.040 0.000 . 1 . . . . 83 Val C . 17267 1 1081 . 1 1 83 83 VAL CA C 13 57.949 0.045 . 1 . . . . 83 Val CA . 17267 1 1082 . 1 1 83 83 VAL CB C 13 33.860 0.037 . 1 . . . . 83 Val CB . 17267 1 1083 . 1 1 83 83 VAL CG1 C 13 18.720 0.014 . 2 . . . . 83 Val CG1 . 17267 1 1084 . 1 1 83 83 VAL CG2 C 13 23.365 0.069 . 2 . . . . 83 Val CG2 . 17267 1 1085 . 1 1 83 83 VAL N N 15 116.985 0.054 . 1 . . . . 83 Val N . 17267 1 1086 . 1 1 84 84 PRO HA H 1 5.222 0.005 . 1 . . . . 84 Pro HA . 17267 1 1087 . 1 1 84 84 PRO HB2 H 1 2.289 0.003 . 2 . . . . 84 Pro HB2 . 17267 1 1088 . 1 1 84 84 PRO HB3 H 1 2.735 0.005 . 2 . . . . 84 Pro HB3 . 17267 1 1089 . 1 1 84 84 PRO HD2 H 1 3.515 0.003 . 2 . . . . 84 Pro HD2 . 17267 1 1090 . 1 1 84 84 PRO HD3 H 1 3.866 0.011 . 2 . . . . 84 Pro HD3 . 17267 1 1091 . 1 1 84 84 PRO HG2 H 1 1.968 0.011 . 2 . . . . 84 Pro HG2 . 17267 1 1092 . 1 1 84 84 PRO HG3 H 1 1.841 0.008 . 2 . . . . 84 Pro HG3 . 17267 1 1093 . 1 1 84 84 PRO C C 13 176.929 0.008 . 1 . . . . 84 Pro C . 17267 1 1094 . 1 1 84 84 PRO CA C 13 63.514 0.025 . 1 . . . . 84 Pro CA . 17267 1 1095 . 1 1 84 84 PRO CB C 13 34.090 0.039 . 1 . . . . 84 Pro CB . 17267 1 1096 . 1 1 84 84 PRO CD C 13 50.419 0.019 . 1 . . . . 84 Pro CD . 17267 1 1097 . 1 1 84 84 PRO CG C 13 24.546 0.042 . 1 . . . . 84 Pro CG . 17267 1 1098 . 1 1 85 85 THR H H 1 7.445 0.009 . 1 . . . . 85 Thr H . 17267 1 1099 . 1 1 85 85 THR HA H 1 5.143 0.004 . 1 . . . . 85 Thr HA . 17267 1 1100 . 1 1 85 85 THR HB H 1 4.050 0.003 . 1 . . . . 85 Thr HB . 17267 1 1101 . 1 1 85 85 THR HG21 H 1 1.185 0.007 . 1 . . . . 85 Thr HG21 . 17267 1 1102 . 1 1 85 85 THR HG22 H 1 1.185 0.007 . 1 . . . . 85 Thr HG22 . 17267 1 1103 . 1 1 85 85 THR HG23 H 1 1.185 0.007 . 1 . . . . 85 Thr HG23 . 17267 1 1104 . 1 1 85 85 THR C C 13 172.768 0.028 . 1 . . . . 85 Thr C . 17267 1 1105 . 1 1 85 85 THR CA C 13 64.394 0.059 . 1 . . . . 85 Thr CA . 17267 1 1106 . 1 1 85 85 THR CB C 13 72.682 0.036 . 1 . . . . 85 Thr CB . 17267 1 1107 . 1 1 85 85 THR CG2 C 13 21.454 0.042 . 1 . . . . 85 Thr CG2 . 17267 1 1108 . 1 1 85 85 THR N N 15 118.138 0.053 . 1 . . . . 85 Thr N . 17267 1 1109 . 1 1 86 86 THR H H 1 9.306 0.011 . 1 . . . . 86 Thr H . 17267 1 1110 . 1 1 86 86 THR HA H 1 5.309 0.010 . 1 . . . . 86 Thr HA . 17267 1 1111 . 1 1 86 86 THR HB H 1 3.988 0.004 . 1 . . . . 86 Thr HB . 17267 1 1112 . 1 1 86 86 THR HG21 H 1 0.641 0.006 . 1 . . . . 86 Thr HG21 . 17267 1 1113 . 1 1 86 86 THR HG22 H 1 0.641 0.006 . 1 . . . . 86 Thr HG22 . 17267 1 1114 . 1 1 86 86 THR HG23 H 1 0.641 0.006 . 1 . . . . 86 Thr HG23 . 17267 1 1115 . 1 1 86 86 THR C C 13 172.657 0.000 . 1 . . . . 87 Thr C . 17267 1 1116 . 1 1 86 86 THR CA C 13 62.716 0.056 . 1 . . . . 86 Thr CA . 17267 1 1117 . 1 1 86 86 THR CB C 13 69.044 0.052 . 1 . . . . 86 Thr CB . 17267 1 1118 . 1 1 86 86 THR CG2 C 13 23.636 0.047 . 1 . . . . 86 Thr CG2 . 17267 1 1119 . 1 1 86 86 THR N N 15 126.333 0.049 . 1 . . . . 86 Thr N . 17267 1 1120 . 1 1 87 87 VAL H H 1 9.743 0.010 . 1 . . . . 87 Val H . 17267 1 1121 . 1 1 87 87 VAL HA H 1 4.609 0.008 . 1 . . . . 87 Val HA . 17267 1 1122 . 1 1 87 87 VAL HB H 1 1.844 0.008 . 1 . . . . 87 Val HB . 17267 1 1123 . 1 1 87 87 VAL HG11 H 1 0.907 0.006 . 2 . . . . 87 Val HG11 . 17267 1 1124 . 1 1 87 87 VAL HG12 H 1 0.907 0.006 . 2 . . . . 87 Val HG12 . 17267 1 1125 . 1 1 87 87 VAL HG13 H 1 0.907 0.006 . 2 . . . . 87 Val HG13 . 17267 1 1126 . 1 1 87 87 VAL HG21 H 1 0.476 0.006 . 2 . . . . 87 Val HG21 . 17267 1 1127 . 1 1 87 87 VAL HG22 H 1 0.476 0.006 . 2 . . . . 87 Val HG22 . 17267 1 1128 . 1 1 87 87 VAL HG23 H 1 0.476 0.006 . 2 . . . . 87 Val HG23 . 17267 1 1129 . 1 1 87 87 VAL C C 13 173.878 0.017 . 1 . . . . 87 Val C . 17267 1 1130 . 1 1 87 87 VAL CA C 13 61.014 0.033 . 1 . . . . 87 Val CA . 17267 1 1131 . 1 1 87 87 VAL CB C 13 34.534 0.044 . 1 . . . . 87 Val CB . 17267 1 1132 . 1 1 87 87 VAL CG1 C 13 21.395 0.047 . 2 . . . . 87 Val CG1 . 17267 1 1133 . 1 1 87 87 VAL CG2 C 13 20.880 0.021 . 2 . . . . 87 Val CG2 . 17267 1 1134 . 1 1 87 87 VAL N N 15 127.974 0.053 . 1 . . . . 87 Val N . 17267 1 1135 . 1 1 88 88 PHE H H 1 9.525 0.008 . 1 . . . . 88 Phe H . 17267 1 1136 . 1 1 88 88 PHE HA H 1 4.938 0.009 . 1 . . . . 88 Phe HA . 17267 1 1137 . 1 1 88 88 PHE HB2 H 1 3.473 0.012 . 2 . . . . 88 Phe HB2 . 17267 1 1138 . 1 1 88 88 PHE HB3 H 1 2.700 0.007 . 2 . . . . 88 Phe HB3 . 17267 1 1139 . 1 1 88 88 PHE HD1 H 1 7.204 0.010 . 3 . . . . 88 Phe HD1 . 17267 1 1140 . 1 1 88 88 PHE HD2 H 1 7.204 0.010 . 3 . . . . 88 Phe HD2 . 17267 1 1141 . 1 1 88 88 PHE HE1 H 1 7.079 0.008 . 3 . . . . 88 Phe HE1 . 17267 1 1142 . 1 1 88 88 PHE HE2 H 1 7.079 0.008 . 3 . . . . 88 Phe HE2 . 17267 1 1143 . 1 1 88 88 PHE HZ H 1 7.080 0.009 . 1 . . . . 88 Phe HZ . 17267 1 1144 . 1 1 88 88 PHE C C 13 174.438 0.012 . 1 . . . . 88 Phe C . 17267 1 1145 . 1 1 88 88 PHE CA C 13 56.604 0.058 . 1 . . . . 88 Phe CA . 17267 1 1146 . 1 1 88 88 PHE CB C 13 39.770 0.028 . 1 . . . . 88 Phe CB . 17267 1 1147 . 1 1 88 88 PHE CD1 C 13 133.030 0.103 . 3 . . . . 88 Phe CD1 . 17267 1 1148 . 1 1 88 88 PHE CD2 C 13 133.030 0.103 . 3 . . . . 88 Phe CD2 . 17267 1 1149 . 1 1 88 88 PHE CE1 C 13 128.954 0.052 . 3 . . . . 88 Phe CE1 . 17267 1 1150 . 1 1 88 88 PHE CE2 C 13 128.954 0.052 . 3 . . . . 88 Phe CE2 . 17267 1 1151 . 1 1 88 88 PHE N N 15 124.665 0.036 . 1 . . . . 88 Phe N . 17267 1 1152 . 1 1 89 89 LEU H H 1 9.710 0.010 . 1 . . . . 89 Leu H . 17267 1 1153 . 1 1 89 89 LEU HA H 1 5.293 0.006 . 1 . . . . 89 Leu HA . 17267 1 1154 . 1 1 89 89 LEU HB2 H 1 2.099 0.007 . 2 . . . . 89 Leu HB2 . 17267 1 1155 . 1 1 89 89 LEU HB3 H 1 1.243 0.008 . 2 . . . . 89 Leu HB3 . 17267 1 1156 . 1 1 89 89 LEU HD11 H 1 0.855 0.005 . 2 . . . . 89 Leu HD11 . 17267 1 1157 . 1 1 89 89 LEU HD12 H 1 0.855 0.005 . 2 . . . . 89 Leu HD12 . 17267 1 1158 . 1 1 89 89 LEU HD13 H 1 0.855 0.005 . 2 . . . . 89 Leu HD13 . 17267 1 1159 . 1 1 89 89 LEU HD21 H 1 0.720 0.004 . 2 . . . . 89 Leu HD21 . 17267 1 1160 . 1 1 89 89 LEU HD22 H 1 0.720 0.004 . 2 . . . . 89 Leu HD22 . 17267 1 1161 . 1 1 89 89 LEU HD23 H 1 0.720 0.004 . 2 . . . . 89 Leu HD23 . 17267 1 1162 . 1 1 89 89 LEU HG H 1 1.504 0.005 . 1 . . . . 89 Leu HG . 17267 1 1163 . 1 1 89 89 LEU C C 13 177.601 0.003 . 1 . . . . 89 Leu C . 17267 1 1164 . 1 1 89 89 LEU CA C 13 52.789 0.039 . 1 . . . . 89 Leu CA . 17267 1 1165 . 1 1 89 89 LEU CB C 13 43.655 0.034 . 1 . . . . 89 Leu CB . 17267 1 1166 . 1 1 89 89 LEU CD1 C 13 25.155 0.024 . 2 . . . . 89 Leu CD1 . 17267 1 1167 . 1 1 89 89 LEU CD2 C 13 22.972 0.017 . 2 . . . . 89 Leu CD2 . 17267 1 1168 . 1 1 89 89 LEU CG C 13 26.904 0.024 . 1 . . . . 89 Leu CG . 17267 1 1169 . 1 1 89 89 LEU N N 15 125.156 0.051 . 1 . . . . 89 Leu N . 17267 1 1170 . 1 1 90 90 ASP H H 1 8.767 0.009 . 1 . . . . 90 Asp H . 17267 1 1171 . 1 1 90 90 ASP HA H 1 4.496 0.004 . 1 . . . . 90 Asp HA . 17267 1 1172 . 1 1 90 90 ASP HB2 H 1 3.421 0.003 . 2 . . . . 90 Asp HB2 . 17267 1 1173 . 1 1 90 90 ASP HB3 H 1 2.551 0.004 . 2 . . . . 90 Asp HB3 . 17267 1 1174 . 1 1 90 90 ASP C C 13 178.225 0.013 . 1 . . . . 90 Asp C . 17267 1 1175 . 1 1 90 90 ASP CA C 13 52.533 0.060 . 1 . . . . 90 Asp CA . 17267 1 1176 . 1 1 90 90 ASP CB C 13 41.839 0.045 . 1 . . . . 90 Asp CB . 17267 1 1177 . 1 1 90 90 ASP N N 15 118.774 0.045 . 1 . . . . 90 Asp N . 17267 1 1178 . 1 1 91 91 LYS H H 1 9.067 0.010 . 1 . . . . 91 Lys H . 17267 1 1179 . 1 1 91 91 LYS HA H 1 3.788 0.004 . 1 . . . . 91 Lys HA . 17267 1 1180 . 1 1 91 91 LYS HB2 H 1 1.751 0.005 . 2 . . . . 91 Lys HB2 . 17267 1 1181 . 1 1 91 91 LYS HB3 H 1 1.428 0.007 . 2 . . . . 91 Lys HB3 . 17267 1 1182 . 1 1 91 91 LYS HD2 H 1 1.700 0.012 . 2 . . . . 91 Lys HD2 . 17267 1 1183 . 1 1 91 91 LYS HD3 H 1 1.611 0.009 . 2 . . . . 91 Lys HD3 . 17267 1 1184 . 1 1 91 91 LYS HE2 H 1 3.014 0.000 . 1 . . . . 91 Lys HE2 . 17267 1 1185 . 1 1 91 91 LYS HE3 H 1 3.014 0.000 . 1 . . . . 91 Lys HE3 . 17267 1 1186 . 1 1 91 91 LYS HG2 H 1 1.479 0.016 . 2 . . . . 91 Lys HG2 . 17267 1 1187 . 1 1 91 91 LYS HG3 H 1 1.220 0.008 . 2 . . . . 91 Lys HG3 . 17267 1 1188 . 1 1 91 91 LYS C C 13 176.050 0.004 . 1 . . . . 91 Lys C . 17267 1 1189 . 1 1 91 91 LYS CA C 13 58.560 0.089 . 1 . . . . 91 Lys CA . 17267 1 1190 . 1 1 91 91 LYS CB C 13 31.788 0.050 . 1 . . . . 91 Lys CB . 17267 1 1191 . 1 1 91 91 LYS CD C 13 28.169 0.029 . 1 . . . . 91 Lys CD . 17267 1 1192 . 1 1 91 91 LYS CE C 13 41.971 0.000 . 1 . . . . 91 Lys CE . 17267 1 1193 . 1 1 91 91 LYS CG C 13 23.978 0.003 . 1 . . . . 91 Lys CG . 17267 1 1194 . 1 1 91 91 LYS N N 15 116.312 0.041 . 1 . . . . 91 Lys N . 17267 1 1195 . 1 1 92 92 GLU H H 1 8.045 0.008 . 1 . . . . 92 Glu H . 17267 1 1196 . 1 1 92 92 GLU HA H 1 4.482 0.004 . 1 . . . . 92 Glu HA . 17267 1 1197 . 1 1 92 92 GLU HB2 H 1 2.287 0.017 . 2 . . . . 92 Glu HB2 . 17267 1 1198 . 1 1 92 92 GLU HB3 H 1 2.054 0.010 . 2 . . . . 92 Glu HB3 . 17267 1 1199 . 1 1 92 92 GLU HG2 H 1 2.256 0.006 . 1 . . . . 92 Glu HG2 . 17267 1 1200 . 1 1 92 92 GLU HG3 H 1 2.256 0.006 . 1 . . . . 92 Glu HG3 . 17267 1 1201 . 1 1 92 92 GLU C C 13 176.633 0.017 . 1 . . . . 92 Glu C . 17267 1 1202 . 1 1 92 92 GLU CA C 13 56.032 0.081 . 1 . . . . 92 Glu CA . 17267 1 1203 . 1 1 92 92 GLU CB C 13 30.152 0.052 . 1 . . . . 92 Glu CB . 17267 1 1204 . 1 1 92 92 GLU CG C 13 36.312 0.000 . 1 . . . . 92 Glu CG . 17267 1 1205 . 1 1 92 92 GLU N N 15 119.589 0.047 . 1 . . . . 92 Glu N . 17267 1 1206 . 1 1 93 93 GLY H H 1 8.274 0.010 . 1 . . . . 93 Gly H . 17267 1 1207 . 1 1 93 93 GLY HA2 H 1 4.324 0.005 . 2 . . . . 93 Gly HA2 . 17267 1 1208 . 1 1 93 93 GLY HA3 H 1 3.635 0.002 . 2 . . . . 93 Gly HA3 . 17267 1 1209 . 1 1 93 93 GLY C C 13 174.249 0.011 . 1 . . . . 93 Gly C . 17267 1 1210 . 1 1 93 93 GLY CA C 13 45.441 0.075 . 1 . . . . 93 Gly CA . 17267 1 1211 . 1 1 93 93 GLY N N 15 107.935 0.035 . 1 . . . . 93 Gly N . 17267 1 1212 . 1 1 94 94 ASN H H 1 8.685 0.007 . 1 . . . . 94 Asn H . 17267 1 1213 . 1 1 94 94 ASN HA H 1 4.875 0.004 . 1 . . . . 94 Asn HA . 17267 1 1214 . 1 1 94 94 ASN HB2 H 1 3.104 0.004 . 2 . . . . 94 Asn HB2 . 17267 1 1215 . 1 1 94 94 ASN HB3 H 1 2.704 0.003 . 2 . . . . 94 Asn HB3 . 17267 1 1216 . 1 1 94 94 ASN HD21 H 1 8.566 0.005 . 1 . . . . 94 Asn HD21 . 17267 1 1217 . 1 1 94 94 ASN HD22 H 1 7.249 0.003 . 1 . . . . 94 Asn HD22 . 17267 1 1218 . 1 1 94 94 ASN C C 13 175.574 0.000 . 1 . . . . 94 Asn C . 17267 1 1219 . 1 1 94 94 ASN CA C 13 52.691 0.087 . 1 . . . . 94 Asn CA . 17267 1 1220 . 1 1 94 94 ASN CB C 13 39.196 0.073 . 1 . . . . 94 Asn CB . 17267 1 1221 . 1 1 94 94 ASN N N 15 119.872 0.045 . 1 . . . . 94 Asn N . 17267 1 1222 . 1 1 94 94 ASN ND2 N 15 118.860 0.033 . 1 . . . . 94 Asn ND2 . 17267 1 1223 . 1 1 95 95 LYS H H 1 8.964 0.011 . 1 . . . . 95 Lys H . 17267 1 1224 . 1 1 95 95 LYS HA H 1 4.166 0.003 . 1 . . . . 95 Lys HA . 17267 1 1225 . 1 1 95 95 LYS HB2 H 1 2.007 0.004 . 2 . . . . 95 Lys HB2 . 17267 1 1226 . 1 1 95 95 LYS HB3 H 1 1.928 0.006 . 2 . . . . 95 Lys HB3 . 17267 1 1227 . 1 1 95 95 LYS HD2 H 1 1.890 0.005 . 2 . . . . 95 Lys HD2 . 17267 1 1228 . 1 1 95 95 LYS HD3 H 1 1.834 0.008 . 2 . . . . 95 Lys HD3 . 17267 1 1229 . 1 1 95 95 LYS HE2 H 1 3.099 0.004 . 2 . . . . 95 Lys HE2 . 17267 1 1230 . 1 1 95 95 LYS HE3 H 1 3.003 0.004 . 2 . . . . 95 Lys HE3 . 17267 1 1231 . 1 1 95 95 LYS HG2 H 1 1.494 0.009 . 2 . . . . 95 Lys HG2 . 17267 1 1232 . 1 1 95 95 LYS HG3 H 1 1.257 0.004 . 2 . . . . 95 Lys HG3 . 17267 1 1233 . 1 1 95 95 LYS C C 13 175.429 0.027 . 1 . . . . 95 Lys C . 17267 1 1234 . 1 1 95 95 LYS CA C 13 58.512 0.088 . 1 . . . . 95 Lys CA . 17267 1 1235 . 1 1 95 95 LYS CB C 13 32.122 0.108 . 1 . . . . 95 Lys CB . 17267 1 1236 . 1 1 95 95 LYS CD C 13 29.441 0.005 . 1 . . . . 95 Lys CD . 17267 1 1237 . 1 1 95 95 LYS CE C 13 41.148 0.036 . 1 . . . . 95 Lys CE . 17267 1 1238 . 1 1 95 95 LYS CG C 13 24.312 0.040 . 1 . . . . 95 Lys CG . 17267 1 1239 . 1 1 95 95 LYS N N 15 123.527 0.051 . 1 . . . . 95 Lys N . 17267 1 1240 . 1 1 96 96 PHE H H 1 9.562 0.008 . 1 . . . . 96 Phe H . 17267 1 1241 . 1 1 96 96 PHE HA H 1 4.897 0.004 . 1 . . . . 96 Phe HA . 17267 1 1242 . 1 1 96 96 PHE HB2 H 1 3.207 0.005 . 2 . . . . 96 Phe HB2 . 17267 1 1243 . 1 1 96 96 PHE HB3 H 1 2.918 0.007 . 2 . . . . 96 Phe HB3 . 17267 1 1244 . 1 1 96 96 PHE HD1 H 1 7.192 0.008 . 3 . . . . 96 Phe HD1 . 17267 1 1245 . 1 1 96 96 PHE HD2 H 1 7.192 0.008 . 3 . . . . 96 Phe HD2 . 17267 1 1246 . 1 1 96 96 PHE HE1 H 1 7.281 0.021 . 3 . . . . 96 Phe HE1 . 17267 1 1247 . 1 1 96 96 PHE HE2 H 1 7.281 0.021 . 3 . . . . 96 Phe HE2 . 17267 1 1248 . 1 1 96 96 PHE C C 13 175.012 0.026 . 1 . . . . 96 Phe C . 17267 1 1249 . 1 1 96 96 PHE CA C 13 59.257 0.051 . 1 . . . . 96 Phe CA . 17267 1 1250 . 1 1 96 96 PHE CB C 13 42.503 0.050 . 1 . . . . 96 Phe CB . 17267 1 1251 . 1 1 96 96 PHE CD1 C 13 132.156 0.193 . 3 . . . . 96 Phe CD1 . 17267 1 1252 . 1 1 96 96 PHE CD2 C 13 132.156 0.193 . 3 . . . . 96 Phe CD2 . 17267 1 1253 . 1 1 96 96 PHE N N 15 129.923 0.039 . 1 . . . . 96 Phe N . 17267 1 1254 . 1 1 97 97 TYR H H 1 8.019 0.008 . 1 . . . . 97 Tyr H . 17267 1 1255 . 1 1 97 97 TYR HA H 1 4.716 0.005 . 1 . . . . 97 Tyr HA . 17267 1 1256 . 1 1 97 97 TYR HB2 H 1 3.053 0.005 . 2 . . . . 97 Tyr HB2 . 17267 1 1257 . 1 1 97 97 TYR HB3 H 1 2.374 0.008 . 2 . . . . 97 Tyr HB3 . 17267 1 1258 . 1 1 97 97 TYR HD1 H 1 6.964 0.004 . 3 . . . . 97 Tyr HD1 . 17267 1 1259 . 1 1 97 97 TYR HD2 H 1 6.964 0.004 . 3 . . . . 97 Tyr HD2 . 17267 1 1260 . 1 1 97 97 TYR HE1 H 1 6.851 0.005 . 3 . . . . 97 Tyr HE1 . 17267 1 1261 . 1 1 97 97 TYR HE2 H 1 6.851 0.005 . 3 . . . . 97 Tyr HE2 . 17267 1 1262 . 1 1 97 97 TYR C C 13 172.394 0.019 . 1 . . . . 97 Tyr C . 17267 1 1263 . 1 1 97 97 TYR CA C 13 58.335 0.061 . 1 . . . . 97 Tyr CA . 17267 1 1264 . 1 1 97 97 TYR CB C 13 42.716 0.028 . 1 . . . . 97 Tyr CB . 17267 1 1265 . 1 1 97 97 TYR CD1 C 13 132.825 0.036 . 3 . . . . 97 Tyr CD1 . 17267 1 1266 . 1 1 97 97 TYR CD2 C 13 132.825 0.036 . 3 . . . . 97 Tyr CD2 . 17267 1 1267 . 1 1 97 97 TYR CE1 C 13 119.088 0.067 . 3 . . . . 97 Tyr CE1 . 17267 1 1268 . 1 1 97 97 TYR CE2 C 13 119.088 0.067 . 3 . . . . 97 Tyr CE2 . 17267 1 1269 . 1 1 97 97 TYR N N 15 117.999 0.061 . 1 . . . . 97 Tyr N . 17267 1 1270 . 1 1 98 98 VAL H H 1 7.551 0.010 . 1 . . . . 98 Val H . 17267 1 1271 . 1 1 98 98 VAL HA H 1 5.141 0.003 . 1 . . . . 98 Val HA . 17267 1 1272 . 1 1 98 98 VAL HB H 1 1.880 0.007 . 1 . . . . 98 Val HB . 17267 1 1273 . 1 1 98 98 VAL HG11 H 1 1.069 0.004 . 2 . . . . 98 Val HG11 . 17267 1 1274 . 1 1 98 98 VAL HG12 H 1 1.069 0.004 . 2 . . . . 98 Val HG12 . 17267 1 1275 . 1 1 98 98 VAL HG13 H 1 1.069 0.004 . 2 . . . . 98 Val HG13 . 17267 1 1276 . 1 1 98 98 VAL HG21 H 1 0.917 0.006 . 2 . . . . 98 Val HG21 . 17267 1 1277 . 1 1 98 98 VAL HG22 H 1 0.917 0.006 . 2 . . . . 98 Val HG22 . 17267 1 1278 . 1 1 98 98 VAL HG23 H 1 0.917 0.006 . 2 . . . . 98 Val HG23 . 17267 1 1279 . 1 1 98 98 VAL C C 13 173.041 0.012 . 1 . . . . 98 Val C . 17267 1 1280 . 1 1 98 98 VAL CA C 13 60.975 0.071 . 1 . . . . 98 Val CA . 17267 1 1281 . 1 1 98 98 VAL CB C 13 34.978 0.038 . 1 . . . . 98 Val CB . 17267 1 1282 . 1 1 98 98 VAL CG1 C 13 22.013 0.017 . 2 . . . . 98 Val CG1 . 17267 1 1283 . 1 1 98 98 VAL CG2 C 13 21.015 0.046 . 2 . . . . 98 Val CG2 . 17267 1 1284 . 1 1 98 98 VAL N N 15 127.476 0.040 . 1 . . . . 98 Val N . 17267 1 1285 . 1 1 99 99 HIS H H 1 9.370 0.011 . 1 . . . . 99 His H . 17267 1 1286 . 1 1 99 99 HIS HA H 1 4.767 0.007 . 1 . . . . 99 His HA . 17267 1 1287 . 1 1 99 99 HIS HB2 H 1 3.397 0.005 . 2 . . . . 99 His HB2 . 17267 1 1288 . 1 1 99 99 HIS HB3 H 1 3.175 0.004 . 2 . . . . 99 His HB3 . 17267 1 1289 . 1 1 99 99 HIS HD2 H 1 6.725 0.006 . 1 . . . . 99 His HD2 . 17267 1 1290 . 1 1 99 99 HIS HE1 H 1 7.959 0.000 . 1 . . . . 99 His HE1 . 17267 1 1291 . 1 1 99 99 HIS C C 13 175.237 0.026 . 1 . . . . 99 His C . 17267 1 1292 . 1 1 99 99 HIS CA C 13 55.584 0.060 . 1 . . . . 99 His CA . 17267 1 1293 . 1 1 99 99 HIS CB C 13 36.553 0.092 . 1 . . . . 99 His CB . 17267 1 1294 . 1 1 99 99 HIS CD2 C 13 119.461 0.029 . 1 . . . . 99 His CD2 . 17267 1 1295 . 1 1 99 99 HIS CE1 C 13 138.547 0.000 . 1 . . . . 99 His CE1 . 17267 1 1296 . 1 1 99 99 HIS N N 15 125.421 0.057 . 1 . . . . 99 His N . 17267 1 1297 . 1 1 100 100 GLN H H 1 8.719 0.010 . 1 . . . . 100 Gln H . 17267 1 1298 . 1 1 100 100 GLN HA H 1 4.951 0.003 . 1 . . . . 100 Gln HA . 17267 1 1299 . 1 1 100 100 GLN HB2 H 1 1.981 0.007 . 2 . . . . 100 Gln HB2 . 17267 1 1300 . 1 1 100 100 GLN HB3 H 1 1.846 0.008 . 2 . . . . 100 Gln HB3 . 17267 1 1301 . 1 1 100 100 GLN HE21 H 1 7.452 0.000 . 1 . . . . 100 Gln HE21 . 17267 1 1302 . 1 1 100 100 GLN HE22 H 1 7.052 0.001 . 1 . . . . 100 Gln HE22 . 17267 1 1303 . 1 1 100 100 GLN HG2 H 1 2.414 0.007 . 2 . . . . 100 Gln HG2 . 17267 1 1304 . 1 1 100 100 GLN HG3 H 1 2.325 0.007 . 2 . . . . 100 Gln HG3 . 17267 1 1305 . 1 1 100 100 GLN C C 13 174.491 0.000 . 1 . . . . 100 Gln C . 17267 1 1306 . 1 1 100 100 GLN CA C 13 55.665 0.048 . 1 . . . . 100 Gln CA . 17267 1 1307 . 1 1 100 100 GLN CB C 13 29.930 0.109 . 1 . . . . 100 Gln CB . 17267 1 1308 . 1 1 100 100 GLN CG C 13 34.299 0.055 . 1 . . . . 100 Gln CG . 17267 1 1309 . 1 1 100 100 GLN N N 15 131.397 0.056 . 1 . . . . 100 Gln N . 17267 1 1310 . 1 1 100 100 GLN NE2 N 15 112.975 0.025 . 1 . . . . 100 Gln NE2 . 17267 1 1311 . 1 1 101 101 GLY H H 1 8.347 0.010 . 1 . . . . 101 Gly H . 17267 1 1312 . 1 1 101 101 GLY HA2 H 1 4.626 0.004 . 2 . . . . 101 Gly HA2 . 17267 1 1313 . 1 1 101 101 GLY HA3 H 1 3.644 0.005 . 2 . . . . 101 Gly HA3 . 17267 1 1314 . 1 1 101 101 GLY C C 13 173.466 0.034 . 1 . . . . 101 Gly C . 17267 1 1315 . 1 1 101 101 GLY CA C 13 43.340 0.078 . 1 . . . . 101 Gly CA . 17267 1 1316 . 1 1 101 101 GLY N N 15 110.511 0.043 . 1 . . . . 101 Gly N . 17267 1 1317 . 1 1 102 102 LEU H H 1 8.594 0.008 . 1 . . . . 102 Leu H . 17267 1 1318 . 1 1 102 102 LEU HA H 1 4.144 0.007 . 1 . . . . 102 Leu HA . 17267 1 1319 . 1 1 102 102 LEU HB2 H 1 1.586 0.003 . 2 . . . . 102 Leu HB2 . 17267 1 1320 . 1 1 102 102 LEU HB3 H 1 1.041 0.004 . 2 . . . . 102 Leu HB3 . 17267 1 1321 . 1 1 102 102 LEU HD11 H 1 0.860 0.006 . 2 . . . . 102 Leu HD11 . 17267 1 1322 . 1 1 102 102 LEU HD12 H 1 0.860 0.006 . 2 . . . . 102 Leu HD12 . 17267 1 1323 . 1 1 102 102 LEU HD13 H 1 0.860 0.006 . 2 . . . . 102 Leu HD13 . 17267 1 1324 . 1 1 102 102 LEU HD21 H 1 0.741 0.005 . 2 . . . . 102 Leu HD21 . 17267 1 1325 . 1 1 102 102 LEU HD22 H 1 0.741 0.005 . 2 . . . . 102 Leu HD22 . 17267 1 1326 . 1 1 102 102 LEU HD23 H 1 0.741 0.005 . 2 . . . . 102 Leu HD23 . 17267 1 1327 . 1 1 102 102 LEU HG H 1 1.284 0.005 . 1 . . . . 102 Leu HG . 17267 1 1328 . 1 1 102 102 LEU C C 13 176.436 0.008 . 1 . . . . 102 Leu C . 17267 1 1329 . 1 1 102 102 LEU CA C 13 56.517 0.069 . 1 . . . . 102 Leu CA . 17267 1 1330 . 1 1 102 102 LEU CB C 13 42.929 0.040 . 1 . . . . 102 Leu CB . 17267 1 1331 . 1 1 102 102 LEU CD1 C 13 23.943 0.031 . 2 . . . . 102 Leu CD1 . 17267 1 1332 . 1 1 102 102 LEU CD2 C 13 25.469 0.008 . 2 . . . . 102 Leu CD2 . 17267 1 1333 . 1 1 102 102 LEU CG C 13 27.073 0.041 . 1 . . . . 102 Leu CG . 17267 1 1334 . 1 1 102 102 LEU N N 15 121.368 0.067 . 1 . . . . 102 Leu N . 17267 1 1335 . 1 1 103 103 MET H H 1 7.846 0.010 . 1 . . . . 103 Met H . 17267 1 1336 . 1 1 103 103 MET HA H 1 4.552 0.006 . 1 . . . . 103 Met HA . 17267 1 1337 . 1 1 103 103 MET HB2 H 1 1.911 0.005 . 2 . . . . 103 Met HB2 . 17267 1 1338 . 1 1 103 103 MET HB3 H 1 1.673 0.003 . 2 . . . . 103 Met HB3 . 17267 1 1339 . 1 1 103 103 MET HE1 H 1 1.724 0.003 . 1 . . . . 103 Met HE1 . 17267 1 1340 . 1 1 103 103 MET HE2 H 1 1.724 0.003 . 1 . . . . 103 Met HE2 . 17267 1 1341 . 1 1 103 103 MET HE3 H 1 1.724 0.003 . 1 . . . . 103 Met HE3 . 17267 1 1342 . 1 1 103 103 MET HG2 H 1 2.290 0.003 . 2 . . . . 103 Met HG2 . 17267 1 1343 . 1 1 103 103 MET HG3 H 1 1.903 0.005 . 2 . . . . 103 Met HG3 . 17267 1 1344 . 1 1 103 103 MET C C 13 173.646 0.007 . 1 . . . . 103 Met C . 17267 1 1345 . 1 1 103 103 MET CA C 13 54.878 0.062 . 1 . . . . 103 Met CA . 17267 1 1346 . 1 1 103 103 MET CB C 13 37.150 0.023 . 1 . . . . 103 Met CB . 17267 1 1347 . 1 1 103 103 MET CE C 13 17.127 0.012 . 1 . . . . 103 Met CE . 17267 1 1348 . 1 1 103 103 MET CG C 13 32.549 0.030 . 1 . . . . 103 Met CG . 17267 1 1349 . 1 1 103 103 MET N N 15 126.194 0.040 . 1 . . . . 103 Met N . 17267 1 1350 . 1 1 104 104 ARG H H 1 8.227 0.010 . 1 . . . . 104 Arg H . 17267 1 1351 . 1 1 104 104 ARG HA H 1 4.597 0.007 . 1 . . . . 104 Arg HA . 17267 1 1352 . 1 1 104 104 ARG HB2 H 1 2.067 0.008 . 2 . . . . 104 Arg HB2 . 17267 1 1353 . 1 1 104 104 ARG HB3 H 1 1.966 0.009 . 2 . . . . 104 Arg HB3 . 17267 1 1354 . 1 1 104 104 ARG HD2 H 1 3.174 0.016 . 2 . . . . 104 Arg HD2 . 17267 1 1355 . 1 1 104 104 ARG HD3 H 1 3.171 0.016 . 2 . . . . 104 Arg HD3 . 17267 1 1356 . 1 1 104 104 ARG HE H 1 7.963 0.000 . 1 . . . . 104 Arg HE . 17267 1 1357 . 1 1 104 104 ARG HG2 H 1 1.815 0.005 . 2 . . . . 104 Arg HG2 . 17267 1 1358 . 1 1 104 104 ARG HG3 H 1 1.611 0.003 . 2 . . . . 104 Arg HG3 . 17267 1 1359 . 1 1 104 104 ARG C C 13 178.008 0.005 . 1 . . . . 104 Arg C . 17267 1 1360 . 1 1 104 104 ARG CA C 13 53.993 0.050 . 1 . . . . 104 Arg CA . 17267 1 1361 . 1 1 104 104 ARG CB C 13 32.150 0.063 . 1 . . . . 104 Arg CB . 17267 1 1362 . 1 1 104 104 ARG CD C 13 43.195 0.012 . 1 . . . . 104 Arg CD . 17267 1 1363 . 1 1 104 104 ARG CG C 13 27.324 0.016 . 1 . . . . 104 Arg CG . 17267 1 1364 . 1 1 104 104 ARG N N 15 116.709 0.044 . 1 . . . . 104 Arg N . 17267 1 1365 . 1 1 104 104 ARG NE N 15 115.974 0.000 . 1 . . . . 104 Arg NE . 17267 1 1366 . 1 1 105 105 LYS H H 1 9.625 0.008 . 1 . . . . 105 Lys H . 17267 1 1367 . 1 1 105 105 LYS HA H 1 3.802 0.005 . 1 . . . . 105 Lys HA . 17267 1 1368 . 1 1 105 105 LYS HB2 H 1 2.258 0.009 . 2 . . . . 105 Lys HB2 . 17267 1 1369 . 1 1 105 105 LYS HB3 H 1 1.988 0.008 . 2 . . . . 105 Lys HB3 . 17267 1 1370 . 1 1 105 105 LYS HD2 H 1 1.687 0.004 . 1 . . . . 105 Lys HD2 . 17267 1 1371 . 1 1 105 105 LYS HD3 H 1 1.687 0.004 . 1 . . . . 105 Lys HD3 . 17267 1 1372 . 1 1 105 105 LYS HE2 H 1 2.947 0.005 . 2 . . . . 105 Lys HE2 . 17267 1 1373 . 1 1 105 105 LYS HE3 H 1 2.744 0.004 . 2 . . . . 105 Lys HE3 . 17267 1 1374 . 1 1 105 105 LYS HG2 H 1 1.430 0.010 . 1 . . . . 105 Lys HG2 . 17267 1 1375 . 1 1 105 105 LYS HG3 H 1 1.430 0.010 . 1 . . . . 105 Lys HG3 . 17267 1 1376 . 1 1 105 105 LYS C C 13 176.917 0.021 . 1 . . . . 105 Lys C . 17267 1 1377 . 1 1 105 105 LYS CA C 13 60.942 0.048 . 1 . . . . 105 Lys CA . 17267 1 1378 . 1 1 105 105 LYS CB C 13 33.765 0.085 . 1 . . . . 105 Lys CB . 17267 1 1379 . 1 1 105 105 LYS CD C 13 30.135 0.053 . 1 . . . . 105 Lys CD . 17267 1 1380 . 1 1 105 105 LYS CE C 13 41.773 0.040 . 1 . . . . 105 Lys CE . 17267 1 1381 . 1 1 105 105 LYS CG C 13 24.427 0.026 . 1 . . . . 105 Lys CG . 17267 1 1382 . 1 1 105 105 LYS N N 15 122.757 0.049 . 1 . . . . 105 Lys N . 17267 1 1383 . 1 1 106 106 ASN H H 1 8.880 0.008 . 1 . . . . 106 Asn H . 17267 1 1384 . 1 1 106 106 ASN HA H 1 4.580 0.006 . 1 . . . . 106 Asn HA . 17267 1 1385 . 1 1 106 106 ASN HB2 H 1 2.788 0.006 . 1 . . . . 106 Asn HB2 . 17267 1 1386 . 1 1 106 106 ASN HB3 H 1 2.788 0.006 . 1 . . . . 106 Asn HB3 . 17267 1 1387 . 1 1 106 106 ASN HD21 H 1 7.734 0.001 . 1 . . . . 106 Asn HD21 . 17267 1 1388 . 1 1 106 106 ASN HD22 H 1 7.162 0.004 . 1 . . . . 106 Asn HD22 . 17267 1 1389 . 1 1 106 106 ASN C C 13 177.431 0.019 . 1 . . . . 106 Asn C . 17267 1 1390 . 1 1 106 106 ASN CA C 13 56.574 0.099 . 1 . . . . 106 Asn CA . 17267 1 1391 . 1 1 106 106 ASN CB C 13 37.217 0.081 . 1 . . . . 106 Asn CB . 17267 1 1392 . 1 1 106 106 ASN N N 15 114.827 0.042 . 1 . . . . 106 Asn N . 17267 1 1393 . 1 1 106 106 ASN ND2 N 15 111.331 0.019 . 1 . . . . 106 Asn ND2 . 17267 1 1394 . 1 1 107 107 ASN H H 1 7.564 0.008 . 1 . . . . 107 Asn H . 17267 1 1395 . 1 1 107 107 ASN HA H 1 4.595 0.007 . 1 . . . . 107 Asn HA . 17267 1 1396 . 1 1 107 107 ASN HB2 H 1 2.808 0.006 . 1 . . . . 107 Asn HB2 . 17267 1 1397 . 1 1 107 107 ASN HB3 H 1 2.808 0.006 . 1 . . . . 107 Asn HB3 . 17267 1 1398 . 1 1 107 107 ASN HD21 H 1 6.856 0.004 . 1 . . . . 107 Asn HD21 . 17267 1 1399 . 1 1 107 107 ASN HD22 H 1 7.696 0.001 . 1 . . . . 107 Asn HD22 . 17267 1 1400 . 1 1 107 107 ASN C C 13 177.404 0.007 . 1 . . . . 107 Asn C . 17267 1 1401 . 1 1 107 107 ASN CA C 13 55.874 0.066 . 1 . . . . 107 Asn CA . 17267 1 1402 . 1 1 107 107 ASN CB C 13 39.482 0.087 . 1 . . . . 107 Asn CB . 17267 1 1403 . 1 1 107 107 ASN N N 15 118.373 0.056 . 1 . . . . 107 Asn N . 17267 1 1404 . 1 1 107 107 ASN ND2 N 15 112.817 0.007 . 1 . . . . 107 Asn ND2 . 17267 1 1405 . 1 1 108 108 ILE H H 1 7.965 0.010 . 1 . . . . 108 Ile H . 17267 1 1406 . 1 1 108 108 ILE HA H 1 3.449 0.006 . 1 . . . . 108 Ile HA . 17267 1 1407 . 1 1 108 108 ILE HB H 1 2.023 0.009 . 1 . . . . 108 Ile HB . 17267 1 1408 . 1 1 108 108 ILE HD11 H 1 0.817 0.005 . 1 . . . . 108 Ile HD11 . 17267 1 1409 . 1 1 108 108 ILE HD12 H 1 0.817 0.005 . 1 . . . . 108 Ile HD12 . 17267 1 1410 . 1 1 108 108 ILE HD13 H 1 0.817 0.005 . 1 . . . . 108 Ile HD13 . 17267 1 1411 . 1 1 108 108 ILE HG12 H 1 1.000 0.009 . 2 . . . . 108 Ile HG12 . 17267 1 1412 . 1 1 108 108 ILE HG13 H 1 1.801 0.014 . 2 . . . . 108 Ile HG13 . 17267 1 1413 . 1 1 108 108 ILE HG21 H 1 0.914 0.005 . 1 . . . . 108 Ile HG21 . 17267 1 1414 . 1 1 108 108 ILE HG22 H 1 0.914 0.005 . 1 . . . . 108 Ile HG22 . 17267 1 1415 . 1 1 108 108 ILE HG23 H 1 0.914 0.005 . 1 . . . . 108 Ile HG23 . 17267 1 1416 . 1 1 108 108 ILE C C 13 177.945 0.000 . 1 . . . . 108 Ile C . 17267 1 1417 . 1 1 108 108 ILE CA C 13 65.978 0.059 . 1 . . . . 108 Ile CA . 17267 1 1418 . 1 1 108 108 ILE CB C 13 38.480 0.047 . 1 . . . . 108 Ile CB . 17267 1 1419 . 1 1 108 108 ILE CD1 C 13 13.782 0.020 . 1 . . . . 108 Ile CD1 . 17267 1 1420 . 1 1 108 108 ILE CG1 C 13 29.473 0.068 . 1 . . . . 108 Ile CG1 . 17267 1 1421 . 1 1 108 108 ILE CG2 C 13 18.138 0.031 . 1 . . . . 108 Ile CG2 . 17267 1 1422 . 1 1 108 108 ILE N N 15 120.487 0.064 . 1 . . . . 108 Ile N . 17267 1 1423 . 1 1 109 109 GLU H H 1 8.492 0.008 . 1 . . . . 109 Glu H . 17267 1 1424 . 1 1 109 109 GLU HA H 1 3.608 0.005 . 1 . . . . 109 Glu HA . 17267 1 1425 . 1 1 109 109 GLU HB2 H 1 2.263 0.006 . 2 . . . . 109 Glu HB2 . 17267 1 1426 . 1 1 109 109 GLU HB3 H 1 1.942 0.005 . 2 . . . . 109 Glu HB3 . 17267 1 1427 . 1 1 109 109 GLU HG2 H 1 2.595 0.005 . 2 . . . . 109 Glu HG2 . 17267 1 1428 . 1 1 109 109 GLU HG3 H 1 2.071 0.006 . 2 . . . . 109 Glu HG3 . 17267 1 1429 . 1 1 109 109 GLU C C 13 177.949 0.010 . 1 . . . . 109 Glu C . 17267 1 1430 . 1 1 109 109 GLU CA C 13 60.386 0.053 . 1 . . . . 109 Glu CA . 17267 1 1431 . 1 1 109 109 GLU CB C 13 29.388 0.053 . 1 . . . . 109 Glu CB . 17267 1 1432 . 1 1 109 109 GLU CG C 13 38.191 0.033 . 1 . . . . 109 Glu CG . 17267 1 1433 . 1 1 109 109 GLU N N 15 117.851 0.045 . 1 . . . . 109 Glu N . 17267 1 1434 . 1 1 110 110 THR H H 1 7.764 0.009 . 1 . . . . 110 Thr H . 17267 1 1435 . 1 1 110 110 THR HA H 1 3.917 0.005 . 1 . . . . 110 Thr HA . 17267 1 1436 . 1 1 110 110 THR HB H 1 4.227 0.004 . 1 . . . . 110 Thr HB . 17267 1 1437 . 1 1 110 110 THR HG21 H 1 1.205 0.008 . 1 . . . . 110 Thr HG21 . 17267 1 1438 . 1 1 110 110 THR HG22 H 1 1.205 0.008 . 1 . . . . 110 Thr HG22 . 17267 1 1439 . 1 1 110 110 THR HG23 H 1 1.205 0.008 . 1 . . . . 110 Thr HG23 . 17267 1 1440 . 1 1 110 110 THR C C 13 176.741 0.000 . 1 . . . . 110 Thr C . 17267 1 1441 . 1 1 110 110 THR CA C 13 66.968 0.086 . 1 . . . . 110 Thr CA . 17267 1 1442 . 1 1 110 110 THR CB C 13 68.738 0.049 . 1 . . . . 110 Thr CB . 17267 1 1443 . 1 1 110 110 THR CG2 C 13 21.627 0.011 . 1 . . . . 110 Thr CG2 . 17267 1 1444 . 1 1 110 110 THR N N 15 115.302 0.040 . 1 . . . . 110 Thr N . 17267 1 1445 . 1 1 111 111 ILE H H 1 7.177 0.008 . 1 . . . . 111 Ile H . 17267 1 1446 . 1 1 111 111 ILE HA H 1 3.558 0.008 . 1 . . . . 111 Ile HA . 17267 1 1447 . 1 1 111 111 ILE HB H 1 1.449 0.005 . 1 . . . . 111 Ile HB . 17267 1 1448 . 1 1 111 111 ILE HD11 H 1 -0.152 0.004 . 1 . . . . 111 Ile HD11 . 17267 1 1449 . 1 1 111 111 ILE HD12 H 1 -0.152 0.004 . 1 . . . . 111 Ile HD12 . 17267 1 1450 . 1 1 111 111 ILE HD13 H 1 -0.152 0.004 . 1 . . . . 111 Ile HD13 . 17267 1 1451 . 1 1 111 111 ILE HG12 H 1 1.082 0.004 . 2 . . . . 111 Ile HG12 . 17267 1 1452 . 1 1 111 111 ILE HG13 H 1 0.573 0.004 . 2 . . . . 111 Ile HG13 . 17267 1 1453 . 1 1 111 111 ILE HG21 H 1 0.011 0.004 . 1 . . . . 111 Ile HG21 . 17267 1 1454 . 1 1 111 111 ILE HG22 H 1 0.011 0.004 . 1 . . . . 111 Ile HG22 . 17267 1 1455 . 1 1 111 111 ILE HG23 H 1 0.011 0.004 . 1 . . . . 111 Ile HG23 . 17267 1 1456 . 1 1 111 111 ILE C C 13 178.806 0.018 . 1 . . . . 111 Ile C . 17267 1 1457 . 1 1 111 111 ILE CA C 13 63.090 0.040 . 1 . . . . 111 Ile CA . 17267 1 1458 . 1 1 111 111 ILE CB C 13 35.618 0.054 . 1 . . . . 111 Ile CB . 17267 1 1459 . 1 1 111 111 ILE CD1 C 13 9.531 0.019 . 1 . . . . 111 Ile CD1 . 17267 1 1460 . 1 1 111 111 ILE CG1 C 13 27.130 0.027 . 1 . . . . 111 Ile CG1 . 17267 1 1461 . 1 1 111 111 ILE CG2 C 13 17.476 0.017 . 1 . . . . 111 Ile CG2 . 17267 1 1462 . 1 1 111 111 ILE N N 15 121.487 0.045 . 1 . . . . 111 Ile N . 17267 1 1463 . 1 1 112 112 LEU H H 1 8.066 0.008 . 1 . . . . 112 Leu H . 17267 1 1464 . 1 1 112 112 LEU HA H 1 3.828 0.005 . 1 . . . . 112 Leu HA . 17267 1 1465 . 1 1 112 112 LEU HB2 H 1 1.784 0.006 . 2 . . . . 112 Leu HB2 . 17267 1 1466 . 1 1 112 112 LEU HB3 H 1 1.190 0.008 . 2 . . . . 112 Leu HB3 . 17267 1 1467 . 1 1 112 112 LEU HD11 H 1 0.459 0.003 . 2 . . . . 112 Leu HD11 . 17267 1 1468 . 1 1 112 112 LEU HD12 H 1 0.459 0.003 . 2 . . . . 112 Leu HD12 . 17267 1 1469 . 1 1 112 112 LEU HD13 H 1 0.459 0.003 . 2 . . . . 112 Leu HD13 . 17267 1 1470 . 1 1 112 112 LEU HD21 H 1 0.208 0.004 . 2 . . . . 112 Leu HD21 . 17267 1 1471 . 1 1 112 112 LEU HD22 H 1 0.208 0.004 . 2 . . . . 112 Leu HD22 . 17267 1 1472 . 1 1 112 112 LEU HD23 H 1 0.208 0.004 . 2 . . . . 112 Leu HD23 . 17267 1 1473 . 1 1 112 112 LEU HG H 1 1.638 0.010 . 1 . . . . 112 Leu HG . 17267 1 1474 . 1 1 112 112 LEU C C 13 179.745 0.001 . 1 . . . . 112 Leu C . 17267 1 1475 . 1 1 112 112 LEU CA C 13 58.158 0.049 . 1 . . . . 112 Leu CA . 17267 1 1476 . 1 1 112 112 LEU CB C 13 41.086 0.036 . 1 . . . . 112 Leu CB . 17267 1 1477 . 1 1 112 112 LEU CD1 C 13 21.238 0.037 . 2 . . . . 112 Leu CD1 . 17267 1 1478 . 1 1 112 112 LEU CD2 C 13 26.640 0.028 . 2 . . . . 112 Leu CD2 . 17267 1 1479 . 1 1 112 112 LEU CG C 13 27.042 0.000 . 1 . . . . 112 Leu CG . 17267 1 1480 . 1 1 112 112 LEU N N 15 118.512 0.041 . 1 . . . . 112 Leu N . 17267 1 1481 . 1 1 113 113 ASN H H 1 8.894 0.010 . 1 . . . . 113 Asn H . 17267 1 1482 . 1 1 113 113 ASN HA H 1 4.501 0.008 . 1 . . . . 113 Asn HA . 17267 1 1483 . 1 1 113 113 ASN HB2 H 1 2.995 0.005 . 2 . . . . 113 Asn HB2 . 17267 1 1484 . 1 1 113 113 ASN HB3 H 1 2.882 0.004 . 2 . . . . 113 Asn HB3 . 17267 1 1485 . 1 1 113 113 ASN HD21 H 1 7.180 0.004 . 1 . . . . 113 Asn HD21 . 17267 1 1486 . 1 1 113 113 ASN HD22 H 1 7.679 0.002 . 1 . . . . 113 Asn HD22 . 17267 1 1487 . 1 1 113 113 ASN C C 13 179.395 0.005 . 1 . . . . 113 Asn C . 17267 1 1488 . 1 1 113 113 ASN CA C 13 55.904 0.039 . 1 . . . . 113 Asn CA . 17267 1 1489 . 1 1 113 113 ASN CB C 13 37.530 0.054 . 1 . . . . 113 Asn CB . 17267 1 1490 . 1 1 113 113 ASN N N 15 119.392 0.037 . 1 . . . . 113 Asn N . 17267 1 1491 . 1 1 113 113 ASN ND2 N 15 111.685 0.018 . 1 . . . . 113 Asn ND2 . 17267 1 1492 . 1 1 114 114 SER H H 1 7.874 0.008 . 1 . . . . 114 Ser H . 17267 1 1493 . 1 1 114 114 SER HA H 1 4.335 0.004 . 1 . . . . 114 Ser HA . 17267 1 1494 . 1 1 114 114 SER HB2 H 1 4.055 0.006 . 2 . . . . 114 Ser HB2 . 17267 1 1495 . 1 1 114 114 SER HB3 H 1 4.180 0.006 . 2 . . . . 114 Ser HB3 . 17267 1 1496 . 1 1 114 114 SER C C 13 175.292 0.000 . 1 . . . . 114 Ser C . 17267 1 1497 . 1 1 114 114 SER CA C 13 61.628 0.099 . 1 . . . . 114 Ser CA . 17267 1 1498 . 1 1 114 114 SER CB C 13 63.059 0.068 . 1 . . . . 114 Ser CB . 17267 1 1499 . 1 1 114 114 SER N N 15 118.241 0.060 . 1 . . . . 114 Ser N . 17267 1 1500 . 1 1 115 115 LEU H H 1 7.519 0.009 . 1 . . . . 115 Leu H . 17267 1 1501 . 1 1 115 115 LEU HA H 1 3.914 0.006 . 1 . . . . 115 Leu HA . 17267 1 1502 . 1 1 115 115 LEU HB2 H 1 1.662 0.006 . 2 . . . . 115 Leu HB2 . 17267 1 1503 . 1 1 115 115 LEU HB3 H 1 1.515 0.004 . 2 . . . . 115 Leu HB3 . 17267 1 1504 . 1 1 115 115 LEU HD11 H 1 0.639 0.005 . 2 . . . . 115 Leu HD11 . 17267 1 1505 . 1 1 115 115 LEU HD12 H 1 0.639 0.005 . 2 . . . . 115 Leu HD12 . 17267 1 1506 . 1 1 115 115 LEU HD13 H 1 0.639 0.005 . 2 . . . . 115 Leu HD13 . 17267 1 1507 . 1 1 115 115 LEU HD21 H 1 0.208 0.003 . 2 . . . . 115 Leu HD21 . 17267 1 1508 . 1 1 115 115 LEU HD22 H 1 0.208 0.003 . 2 . . . . 115 Leu HD22 . 17267 1 1509 . 1 1 115 115 LEU HD23 H 1 0.208 0.003 . 2 . . . . 115 Leu HD23 . 17267 1 1510 . 1 1 115 115 LEU HG H 1 1.159 0.007 . 1 . . . . 115 Leu HG . 17267 1 1511 . 1 1 115 115 LEU C C 13 177.140 0.036 . 1 . . . . 115 Leu C . 17267 1 1512 . 1 1 115 115 LEU CA C 13 55.343 0.080 . 1 . . . . 115 Leu CA . 17267 1 1513 . 1 1 115 115 LEU CB C 13 42.623 0.025 . 1 . . . . 115 Leu CB . 17267 1 1514 . 1 1 115 115 LEU CD1 C 13 25.717 0.029 . 2 . . . . 115 Leu CD1 . 17267 1 1515 . 1 1 115 115 LEU CD2 C 13 22.987 0.024 . 2 . . . . 115 Leu CD2 . 17267 1 1516 . 1 1 115 115 LEU CG C 13 26.222 0.059 . 1 . . . . 115 Leu CG . 17267 1 1517 . 1 1 115 115 LEU N N 15 121.333 0.072 . 1 . . . . 115 Leu N . 17267 1 1518 . 1 1 116 116 GLY H H 1 7.788 0.008 . 1 . . . . 116 Gly H . 17267 1 1519 . 1 1 116 116 GLY HA2 H 1 4.111 0.005 . 2 . . . . 116 Gly HA2 . 17267 1 1520 . 1 1 116 116 GLY HA3 H 1 3.864 0.004 . 2 . . . . 116 Gly HA3 . 17267 1 1521 . 1 1 116 116 GLY C C 13 174.765 0.013 . 1 . . . . 116 Gly C . 17267 1 1522 . 1 1 116 116 GLY CA C 13 45.844 0.080 . 1 . . . . 116 Gly CA . 17267 1 1523 . 1 1 116 116 GLY N N 15 106.847 0.031 . 1 . . . . 116 Gly N . 17267 1 1524 . 1 1 117 117 VAL H H 1 7.837 0.008 . 1 . . . . 117 Val H . 17267 1 1525 . 1 1 117 117 VAL HA H 1 4.105 0.003 . 1 . . . . 117 Val HA . 17267 1 1526 . 1 1 117 117 VAL HB H 1 2.032 0.003 . 1 . . . . 117 Val HB . 17267 1 1527 . 1 1 117 117 VAL HG11 H 1 1.018 0.010 . 2 . . . . 117 Val HG11 . 17267 1 1528 . 1 1 117 117 VAL HG12 H 1 1.018 0.010 . 2 . . . . 117 Val HG12 . 17267 1 1529 . 1 1 117 117 VAL HG13 H 1 1.018 0.010 . 2 . . . . 117 Val HG13 . 17267 1 1530 . 1 1 117 117 VAL HG21 H 1 0.999 0.010 . 2 . . . . 117 Val HG21 . 17267 1 1531 . 1 1 117 117 VAL HG22 H 1 0.999 0.010 . 2 . . . . 117 Val HG22 . 17267 1 1532 . 1 1 117 117 VAL HG23 H 1 0.999 0.010 . 2 . . . . 117 Val HG23 . 17267 1 1533 . 1 1 117 117 VAL C C 13 175.874 0.006 . 1 . . . . 117 Val C . 17267 1 1534 . 1 1 117 117 VAL CA C 13 62.699 0.100 . 1 . . . . 117 Val CA . 17267 1 1535 . 1 1 117 117 VAL CB C 13 31.450 0.070 . 1 . . . . 117 Val CB . 17267 1 1536 . 1 1 117 117 VAL CG1 C 13 22.064 0.034 . 2 . . . . 117 Val CG1 . 17267 1 1537 . 1 1 117 117 VAL CG2 C 13 21.622 0.024 . 2 . . . . 117 Val CG2 . 17267 1 1538 . 1 1 117 117 VAL N N 15 120.803 0.063 . 1 . . . . 117 Val N . 17267 1 1539 . 1 1 118 118 LYS H H 1 8.313 0.011 . 1 . . . . 118 Lys H . 17267 1 1540 . 1 1 118 118 LYS HA H 1 4.408 0.003 . 1 . . . . 118 Lys HA . 17267 1 1541 . 1 1 118 118 LYS HB2 H 1 1.931 0.004 . 2 . . . . 118 Lys HB2 . 17267 1 1542 . 1 1 118 118 LYS HB3 H 1 1.768 0.005 . 2 . . . . 118 Lys HB3 . 17267 1 1543 . 1 1 118 118 LYS HD2 H 1 1.704 0.000 . 1 . . . . 118 Lys HD2 . 17267 1 1544 . 1 1 118 118 LYS HD3 H 1 1.704 0.000 . 1 . . . . 118 Lys HD3 . 17267 1 1545 . 1 1 118 118 LYS HE2 H 1 3.040 0.007 . 1 . . . . 118 Lys HE2 . 17267 1 1546 . 1 1 118 118 LYS HE3 H 1 3.040 0.007 . 1 . . . . 118 Lys HE3 . 17267 1 1547 . 1 1 118 118 LYS HG2 H 1 1.496 0.006 . 1 . . . . 118 Lys HG2 . 17267 1 1548 . 1 1 118 118 LYS HG3 H 1 1.496 0.006 . 1 . . . . 118 Lys HG3 . 17267 1 1549 . 1 1 118 118 LYS C C 13 176.593 0.021 . 1 . . . . 118 Lys C . 17267 1 1550 . 1 1 118 118 LYS CA C 13 56.124 0.094 . 1 . . . . 118 Lys CA . 17267 1 1551 . 1 1 118 118 LYS CB C 13 33.562 0.064 . 1 . . . . 118 Lys CB . 17267 1 1552 . 1 1 118 118 LYS CD C 13 28.800 0.000 . 1 . . . . 118 Lys CD . 17267 1 1553 . 1 1 118 118 LYS CE C 13 41.874 0.000 . 1 . . . . 118 Lys CE . 17267 1 1554 . 1 1 118 118 LYS CG C 13 24.877 0.000 . 1 . . . . 118 Lys CG . 17267 1 1555 . 1 1 118 118 LYS N N 15 126.335 0.051 . 1 . . . . 118 Lys N . 17267 1 1556 . 1 1 119 119 GLU H H 1 8.517 0.009 . 1 . . . . 119 Glu H . 17267 1 1557 . 1 1 119 119 GLU HA H 1 4.264 0.005 . 1 . . . . 119 Glu HA . 17267 1 1558 . 1 1 119 119 GLU HB2 H 1 2.076 0.006 . 2 . . . . 119 Glu HB2 . 17267 1 1559 . 1 1 119 119 GLU HB3 H 1 2.013 0.010 . 2 . . . . 119 Glu HB3 . 17267 1 1560 . 1 1 119 119 GLU HG2 H 1 2.315 0.004 . 1 . . . . 119 Glu HG2 . 17267 1 1561 . 1 1 119 119 GLU HG3 H 1 2.315 0.005 . 1 . . . . 119 Glu HG3 . 17267 1 1562 . 1 1 119 119 GLU C C 13 177.066 0.000 . 1 . . . . 119 Glu C . 17267 1 1563 . 1 1 119 119 GLU CA C 13 56.917 0.118 . 1 . . . . 119 Glu CA . 17267 1 1564 . 1 1 119 119 GLU CB C 13 30.578 0.070 . 1 . . . . 119 Glu CB . 17267 1 1565 . 1 1 119 119 GLU CG C 13 36.341 0.000 . 1 . . . . 119 Glu CG . 17267 1 1566 . 1 1 119 119 GLU N N 15 120.927 0.055 . 1 . . . . 119 Glu N . 17267 1 1567 . 1 1 120 120 GLY H H 1 8.467 0.012 . 1 . . . . 120 Gly H . 17267 1 1568 . 1 1 120 120 GLY HA2 H 1 4.000 0.008 . 1 . . . . 120 Gly HA2 . 17267 1 1569 . 1 1 120 120 GLY HA3 H 1 4.000 0.008 . 1 . . . . 120 Gly HA3 . 17267 1 1570 . 1 1 120 120 GLY C C 13 173.722 0.000 . 1 . . . . 120 Gly C . 17267 1 1571 . 1 1 120 120 GLY CA C 13 45.314 0.079 . 1 . . . . 120 Gly CA . 17267 1 1572 . 1 1 120 120 GLY N N 15 109.356 0.020 . 1 . . . . 120 Gly N . 17267 1 stop_ save_