data_18488 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18488 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of an oxidizied and mutant form of sulfiredoxin from Saccharomyces cervisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-29 _Entry.Accession_date 2012-05-29 _Entry.Last_release_date 2012-07-02 _Entry.Original_release_date 2012-07-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marie-Christine Averlant-Petit . . . 18488 2 Chrystel Beaufils . . . 18488 3 Sophie Rahuel-Clermont . . . 18488 4 Guy Branlant . . . 18488 5 Alexandre Kriznik . . . 18488 6 Normi Modh-Yahaya . . . 18488 7 Xavier Roussel . . . 18488 8 Baptiste Legrand . . . 18488 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratoire de Chimie Physique Macromeculaire' . 18488 2 . 'ARN-RNP, structure-fonction-maturation, Enzymologie Moleculaire et Structurale' . 18488 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18488 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 18488 '15N chemical shifts' 97 18488 '1H chemical shifts' 549 18488 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 . . 2012-07-02 2012-05-29 original author . 18488 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18486 'reduced sulfiredoxin' 18488 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18488 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.febslet.2011.01.012 _Citation.PubMed_ID 21237158 _Citation.Full_citation . _Citation.Title 'The rate-limiting step of sulfiredoxin is associated with the transfer of the gamma-phosphate of ATP to the sulfinic acid of overoxidized typical 2-Cys peroxiredoxins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 585 _Citation.Journal_issue 3 _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 574 _Citation.Page_last 578 _Citation.Year 2011 _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 Xavier Roussel . . . 18488 1 2 Samia Boukhenouna . . . 18488 1 3 Sophie Rahuel-Clermont . . . 18488 1 4 Guy Branlant . . . 18488 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATP 18488 1 Peroxiredoxin 18488 1 'Phosphoryl anhydride intermediate' 18488 1 'Rate-limiting step' 18488 1 'Sulfinic acid' 18488 1 Sulfiredoxin; 18488 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18488 _Assembly.ID 1 _Assembly.Name 'Oxydizied Sulfiredoxin C106V' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Oxydizied Sulfiredoxin C106V' 1 $Oxydizied_Sulfiredoxin_C106V A . yes native no no . . . 18488 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'Oxydizied Sulfiredoxin C106V' 1 CYS 48 48 SG . 1 'Oxydizied Sulfiredoxin C106V' 1 CYS 84 84 SG . . . . . . . . . . 18488 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Oxydizied_Sulfiredoxin_C106V _Entity.Sf_category entity _Entity.Sf_framecode Oxydizied_Sulfiredoxin_C106V _Entity.Entry_ID 18488 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Oxydizied_Sulfiredoxin_C106V _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSLQSNSVKPTEIPLSEIRR PLAPVLDPQKIDAMVATMKG IPTASKTCSLEQAEAAASAG ELPPVDVLGVRVKGQTLYYA FGGCHRLQAYDRRARETQNA AFPVRVRVLPATPRQIRMYL GSSLDIE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C106V _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 18486 . Reduced_Sulfiredoxin . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 2 no DBJ GAA24640 . "K7_Srx1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 3 no EMBL CAA81924 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 4 no EMBL CAY81004 . "Srx1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 5 no GB AAS56676 . "YKL086W [Saccharomyces cerevisiae]" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 6 no GB AHY76158 . "Srx1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 7 no GB AJP39952 . "Srx1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 127 98.43 99.21 2.09e-84 . . . . 18488 1 8 no GB AJS30150 . "Srx1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 9 no GB AJS30452 . "Srx1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 127 98.43 98.43 2.99e-84 . . . . 18488 1 10 no REF NP_012837 . "sulfiredoxin [Saccharomyces cerevisiae S288c]" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 11 no SP P36077 . "RecName: Full=Sulfiredoxin; AltName: Full=Sulphiredoxin" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 12 no TPG DAA09072 . "TPA: sulfiredoxin [Saccharomyces cerevisiae S288c]" . . . . . 100.00 127 99.21 99.21 6.70e-85 . . . . 18488 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'oxydoreduction enzyme' 18488 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 . 18488 1 2 . SER . 18488 1 3 . LEU . 18488 1 4 . GLN . 18488 1 5 . SER . 18488 1 6 . ASN . 18488 1 7 . SER . 18488 1 8 . VAL . 18488 1 9 . LYS . 18488 1 10 . PRO . 18488 1 11 . THR . 18488 1 12 . GLU . 18488 1 13 . ILE . 18488 1 14 . PRO . 18488 1 15 . LEU . 18488 1 16 . SER . 18488 1 17 . GLU . 18488 1 18 . ILE . 18488 1 19 . ARG . 18488 1 20 . ARG . 18488 1 21 . PRO . 18488 1 22 . LEU . 18488 1 23 . ALA . 18488 1 24 . PRO . 18488 1 25 . VAL . 18488 1 26 . LEU . 18488 1 27 . ASP . 18488 1 28 . PRO . 18488 1 29 . GLN . 18488 1 30 . LYS . 18488 1 31 . ILE . 18488 1 32 . ASP . 18488 1 33 . ALA . 18488 1 34 . MET . 18488 1 35 . VAL . 18488 1 36 . ALA . 18488 1 37 . THR . 18488 1 38 . MET . 18488 1 39 . LYS . 18488 1 40 . GLY . 18488 1 41 . ILE . 18488 1 42 . PRO . 18488 1 43 . THR . 18488 1 44 . ALA . 18488 1 45 . SER . 18488 1 46 . LYS . 18488 1 47 . THR . 18488 1 48 . CYS . 18488 1 49 . SER . 18488 1 50 . LEU . 18488 1 51 . GLU . 18488 1 52 . GLN . 18488 1 53 . ALA . 18488 1 54 . GLU . 18488 1 55 . ALA . 18488 1 56 . ALA . 18488 1 57 . ALA . 18488 1 58 . SER . 18488 1 59 . ALA . 18488 1 60 . GLY . 18488 1 61 . GLU . 18488 1 62 . LEU . 18488 1 63 . PRO . 18488 1 64 . PRO . 18488 1 65 . VAL . 18488 1 66 . ASP . 18488 1 67 . VAL . 18488 1 68 . LEU . 18488 1 69 . GLY . 18488 1 70 . VAL . 18488 1 71 . ARG . 18488 1 72 . VAL . 18488 1 73 . LYS . 18488 1 74 . GLY . 18488 1 75 . GLN . 18488 1 76 . THR . 18488 1 77 . LEU . 18488 1 78 . TYR . 18488 1 79 . TYR . 18488 1 80 . ALA . 18488 1 81 . PHE . 18488 1 82 . GLY . 18488 1 83 . GLY . 18488 1 84 . CYS . 18488 1 85 . HIS . 18488 1 86 . ARG . 18488 1 87 . LEU . 18488 1 88 . GLN . 18488 1 89 . ALA . 18488 1 90 . TYR . 18488 1 91 . ASP . 18488 1 92 . ARG . 18488 1 93 . ARG . 18488 1 94 . ALA . 18488 1 95 . ARG . 18488 1 96 . GLU . 18488 1 97 . THR . 18488 1 98 . GLN . 18488 1 99 . ASN . 18488 1 100 . ALA . 18488 1 101 . ALA . 18488 1 102 . PHE . 18488 1 103 . PRO . 18488 1 104 . VAL . 18488 1 105 . ARG . 18488 1 106 . VAL . 18488 1 107 . ARG . 18488 1 108 . VAL . 18488 1 109 . LEU . 18488 1 110 . PRO . 18488 1 111 . ALA . 18488 1 112 . THR . 18488 1 113 . PRO . 18488 1 114 . ARG . 18488 1 115 . GLN . 18488 1 116 . ILE . 18488 1 117 . ARG . 18488 1 118 . MET . 18488 1 119 . TYR . 18488 1 120 . LEU . 18488 1 121 . GLY . 18488 1 122 . SER . 18488 1 123 . SER . 18488 1 124 . LEU . 18488 1 125 . ASP . 18488 1 126 . ILE . 18488 1 127 . GLU . 18488 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 18488 1 . SER 2 2 18488 1 . LEU 3 3 18488 1 . GLN 4 4 18488 1 . SER 5 5 18488 1 . ASN 6 6 18488 1 . SER 7 7 18488 1 . VAL 8 8 18488 1 . LYS 9 9 18488 1 . PRO 10 10 18488 1 . THR 11 11 18488 1 . GLU 12 12 18488 1 . ILE 13 13 18488 1 . PRO 14 14 18488 1 . LEU 15 15 18488 1 . SER 16 16 18488 1 . GLU 17 17 18488 1 . ILE 18 18 18488 1 . ARG 19 19 18488 1 . ARG 20 20 18488 1 . PRO 21 21 18488 1 . LEU 22 22 18488 1 . ALA 23 23 18488 1 . PRO 24 24 18488 1 . VAL 25 25 18488 1 . LEU 26 26 18488 1 . ASP 27 27 18488 1 . PRO 28 28 18488 1 . GLN 29 29 18488 1 . LYS 30 30 18488 1 . ILE 31 31 18488 1 . ASP 32 32 18488 1 . ALA 33 33 18488 1 . MET 34 34 18488 1 . VAL 35 35 18488 1 . ALA 36 36 18488 1 . THR 37 37 18488 1 . MET 38 38 18488 1 . LYS 39 39 18488 1 . GLY 40 40 18488 1 . ILE 41 41 18488 1 . PRO 42 42 18488 1 . THR 43 43 18488 1 . ALA 44 44 18488 1 . SER 45 45 18488 1 . LYS 46 46 18488 1 . THR 47 47 18488 1 . CYS 48 48 18488 1 . SER 49 49 18488 1 . LEU 50 50 18488 1 . GLU 51 51 18488 1 . GLN 52 52 18488 1 . ALA 53 53 18488 1 . GLU 54 54 18488 1 . ALA 55 55 18488 1 . ALA 56 56 18488 1 . ALA 57 57 18488 1 . SER 58 58 18488 1 . ALA 59 59 18488 1 . GLY 60 60 18488 1 . GLU 61 61 18488 1 . LEU 62 62 18488 1 . PRO 63 63 18488 1 . PRO 64 64 18488 1 . VAL 65 65 18488 1 . ASP 66 66 18488 1 . VAL 67 67 18488 1 . LEU 68 68 18488 1 . GLY 69 69 18488 1 . VAL 70 70 18488 1 . ARG 71 71 18488 1 . VAL 72 72 18488 1 . LYS 73 73 18488 1 . GLY 74 74 18488 1 . GLN 75 75 18488 1 . THR 76 76 18488 1 . LEU 77 77 18488 1 . TYR 78 78 18488 1 . TYR 79 79 18488 1 . ALA 80 80 18488 1 . PHE 81 81 18488 1 . GLY 82 82 18488 1 . GLY 83 83 18488 1 . CYS 84 84 18488 1 . HIS 85 85 18488 1 . ARG 86 86 18488 1 . LEU 87 87 18488 1 . GLN 88 88 18488 1 . ALA 89 89 18488 1 . TYR 90 90 18488 1 . ASP 91 91 18488 1 . ARG 92 92 18488 1 . ARG 93 93 18488 1 . ALA 94 94 18488 1 . ARG 95 95 18488 1 . GLU 96 96 18488 1 . THR 97 97 18488 1 . GLN 98 98 18488 1 . ASN 99 99 18488 1 . ALA 100 100 18488 1 . ALA 101 101 18488 1 . PHE 102 102 18488 1 . PRO 103 103 18488 1 . VAL 104 104 18488 1 . ARG 105 105 18488 1 . VAL 106 106 18488 1 . ARG 107 107 18488 1 . VAL 108 108 18488 1 . LEU 109 109 18488 1 . PRO 110 110 18488 1 . ALA 111 111 18488 1 . THR 112 112 18488 1 . PRO 113 113 18488 1 . ARG 114 114 18488 1 . GLN 115 115 18488 1 . ILE 116 116 18488 1 . ARG 117 117 18488 1 . MET 118 118 18488 1 . TYR 119 119 18488 1 . LEU 120 120 18488 1 . GLY 121 121 18488 1 . SER 122 122 18488 1 . SER 123 123 18488 1 . LEU 124 124 18488 1 . ASP 125 125 18488 1 . ILE 126 126 18488 1 . GLU 127 127 18488 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 18488 _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 $Oxydizied_Sulfiredoxin_C106V . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18488 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 18488 _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 $Oxydizied_Sulfiredoxin_C106V . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C41(DE3) . . . . . . . . . . . . . . . 'pET20bSrx C106V' . . . . . . 18488 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18488 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Oxydizied Sulfiredoxin C106V' [U-15N] . . 1 $Oxydizied_Sulfiredoxin_C106V . . 0.55 . . mM . . . . 18488 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18488 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18488 1 4 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 18488 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18488 1 6 DTT 'natural abundance' . . . . . . 50 . . mM . . . . 18488 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18488 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Oxydizied Sulfiredoxin C106V' '[U-13C; U-15N]' . . 1 $Oxydizied_Sulfiredoxin_C106V . . 0.55 . . mM . . . . 18488 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18488 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18488 2 4 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 18488 2 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18488 2 6 DTT 'natural abundance' . . . . . . 50 . . mM . . . . 18488 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18488 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Oxydizied Sulfiredoxin C106V' '[U-13C; U-15N; U-2H]' . . 1 $Oxydizied_Sulfiredoxin_C106V . . 0.55 . . mM . . . . 18488 3 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18488 3 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18488 3 4 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 18488 3 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18488 3 6 DTT 'natural abundance' . . . . . . 50 . . mM . . . . 18488 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18488 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'NaPi 50mM; NaCl 100mM; DTT 50mM; pH=6; 5% D2O; C=0.55mM; V=300uL' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 18488 1 pH 6 . pH 18488 1 pressure 1 . atm 18488 1 temperature 298 . K 18488 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18488 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18488 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18488 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 18488 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryoprobe Service Commun Universite de Lorraine' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 18488 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'ICSN Gif sur Yvette, France, French facility' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 18488 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 'Cryoprobe Service Commun Universite de Lorraine' . . 18488 1 2 spectrometer_2 Bruker Avance . 950 'ICSN Gif sur Yvette, France, French facility' . . 18488 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 18488 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18488 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18488 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18488 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18488 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18488 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18488 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18488 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 18488 _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 18488 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 18488 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 18488 1 2 '3D HNCACB' . . . 18488 1 3 '3D CBCA(CO)NH' . . . 18488 1 4 '3D HCCH-TOCSY' . . . 18488 1 5 '3D 1H-15N TOCSY' . . . 18488 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 3 3 LEU C C 13 177.930 0.3 . 1 . . . . 3 LEU C . 18488 1 2 . 1 1 3 3 LEU CA C 13 55.694 0.3 . 1 . . . . 3 LEU CA . 18488 1 3 . 1 1 3 3 LEU CB C 13 41.874 0.3 . 1 . . . . 3 LEU CB . 18488 1 4 . 1 1 4 4 GLN H H 1 8.434 0.020 . 1 . . . . 4 GLN H . 18488 1 5 . 1 1 4 4 GLN HA H 1 4.257 0.020 . 1 . . . . 4 GLN HA . 18488 1 6 . 1 1 4 4 GLN HB2 H 1 2.005 0.020 . 1 . . . . 4 GLN HB2 . 18488 1 7 . 1 1 4 4 GLN HB3 H 1 2.005 0.020 . 1 . . . . 4 GLN HB3 . 18488 1 8 . 1 1 4 4 GLN HG2 H 1 2.283 0.020 . 1 . . . . 4 GLN HG2 . 18488 1 9 . 1 1 4 4 GLN HG3 H 1 2.283 0.020 . 1 . . . . 4 GLN HG3 . 18488 1 10 . 1 1 4 4 GLN C C 13 176.673 0.3 . 1 . . . . 4 GLN C . 18488 1 11 . 1 1 4 4 GLN CA C 13 56.104 0.3 . 1 . . . . 4 GLN CA . 18488 1 12 . 1 1 4 4 GLN CB C 13 29.470 0.3 . 1 . . . . 4 GLN CB . 18488 1 13 . 1 1 4 4 GLN CG C 13 33.847 0.3 . 1 . . . . 4 GLN CG . 18488 1 14 . 1 1 4 4 GLN N N 15 121.598 0.3 . 1 . . . . 4 GLN N . 18488 1 15 . 1 1 5 5 SER H H 1 8.294 0.020 . 1 . . . . 5 SER H . 18488 1 16 . 1 1 5 5 SER HA H 1 4.322 0.020 . 1 . . . . 5 SER HA . 18488 1 17 . 1 1 5 5 SER HB2 H 1 3.770 0.020 . 1 . . . . 5 SER HB2 . 18488 1 18 . 1 1 5 5 SER HB3 H 1 3.770 0.020 . 1 . . . . 5 SER HB3 . 18488 1 19 . 1 1 5 5 SER C C 13 174.966 0.3 . 1 . . . . 5 SER C . 18488 1 20 . 1 1 5 5 SER CA C 13 58.640 0.3 . 1 . . . . 5 SER CA . 18488 1 21 . 1 1 5 5 SER CB C 13 63.744 0.3 . 1 . . . . 5 SER CB . 18488 1 22 . 1 1 5 5 SER N N 15 117.377 0.3 . 1 . . . . 5 SER N . 18488 1 23 . 1 1 6 6 ASN H H 1 8.395 0.020 . 1 . . . . 6 ASN H . 18488 1 24 . 1 1 6 6 ASN HA H 1 4.661 0.020 . 1 . . . . 6 ASN HA . 18488 1 25 . 1 1 6 6 ASN HB2 H 1 2.749 0.020 . 1 . . . . 6 ASN HB2 . 18488 1 26 . 1 1 6 6 ASN HB3 H 1 2.749 0.020 . 1 . . . . 6 ASN HB3 . 18488 1 27 . 1 1 6 6 ASN C C 13 175.779 0.3 . 1 . . . . 6 ASN C . 18488 1 28 . 1 1 6 6 ASN CA C 13 53.281 0.3 . 1 . . . . 6 ASN CA . 18488 1 29 . 1 1 6 6 ASN CB C 13 38.877 0.3 . 1 . . . . 6 ASN CB . 18488 1 30 . 1 1 6 6 ASN N N 15 121.005 0.3 . 1 . . . . 6 ASN N . 18488 1 31 . 1 1 7 7 SER H H 1 8.133 0.020 . 1 . . . . 7 SER H . 18488 1 32 . 1 1 7 7 SER HA H 1 4.355 0.020 . 1 . . . . 7 SER HA . 18488 1 33 . 1 1 7 7 SER HB2 H 1 3.773 0.020 . 1 . . . . 7 SER HB2 . 18488 1 34 . 1 1 7 7 SER HB3 H 1 3.773 0.020 . 1 . . . . 7 SER HB3 . 18488 1 35 . 1 1 7 7 SER C C 13 174.803 0.3 . 1 . . . . 7 SER C . 18488 1 36 . 1 1 7 7 SER CA C 13 58.573 0.3 . 1 . . . . 7 SER CA . 18488 1 37 . 1 1 7 7 SER CB C 13 63.954 0.3 . 1 . . . . 7 SER CB . 18488 1 38 . 1 1 7 7 SER N N 15 116.039 0.3 . 1 . . . . 7 SER N . 18488 1 39 . 1 1 8 8 VAL H H 1 7.993 0.020 . 1 . . . . 8 VAL H . 18488 1 40 . 1 1 8 8 VAL HA H 1 4.030 0.020 . 1 . . . . 8 VAL HA . 18488 1 41 . 1 1 8 8 VAL HB H 1 1.939 0.020 . 1 . . . . 8 VAL HB . 18488 1 42 . 1 1 8 8 VAL HG11 H 1 0.848 0.020 . 1 . . . . 8 VAL HG1 . 18488 1 43 . 1 1 8 8 VAL HG12 H 1 0.848 0.020 . 1 . . . . 8 VAL HG1 . 18488 1 44 . 1 1 8 8 VAL HG13 H 1 0.848 0.020 . 1 . . . . 8 VAL HG1 . 18488 1 45 . 1 1 8 8 VAL HG21 H 1 0.817 0.020 . 1 . . . . 8 VAL HG2 . 18488 1 46 . 1 1 8 8 VAL HG22 H 1 0.817 0.020 . 1 . . . . 8 VAL HG2 . 18488 1 47 . 1 1 8 8 VAL HG23 H 1 0.817 0.020 . 1 . . . . 8 VAL HG2 . 18488 1 48 . 1 1 8 8 VAL C C 13 176.375 0.3 . 1 . . . . 8 VAL C . 18488 1 49 . 1 1 8 8 VAL CA C 13 62.345 0.3 . 1 . . . . 8 VAL CA . 18488 1 50 . 1 1 8 8 VAL CB C 13 32.635 0.3 . 1 . . . . 8 VAL CB . 18488 1 51 . 1 1 8 8 VAL CG1 C 13 20.932 0.3 . 1 . . . . 8 VAL CG1 . 18488 1 52 . 1 1 8 8 VAL CG2 C 13 20.932 0.3 . 1 . . . . 8 VAL CG2 . 18488 1 53 . 1 1 8 8 VAL N N 15 122.234 0.3 . 1 . . . . 8 VAL N . 18488 1 54 . 1 1 9 9 LYS H H 1 8.357 0.020 . 1 . . . . 9 LYS H . 18488 1 55 . 1 1 9 9 LYS HA H 1 4.523 0.020 . 1 . . . . 9 LYS HA . 18488 1 56 . 1 1 9 9 LYS HB2 H 1 1.710 0.020 . 2 . . . . 9 LYS HB2 . 18488 1 57 . 1 1 9 9 LYS HB3 H 1 1.633 0.020 . 2 . . . . 9 LYS HB3 . 18488 1 58 . 1 1 9 9 LYS HG2 H 1 1.376 0.020 . 1 . . . . 9 LYS HG2 . 18488 1 59 . 1 1 9 9 LYS HG3 H 1 1.376 0.020 . 1 . . . . 9 LYS HG3 . 18488 1 60 . 1 1 9 9 LYS HD2 H 1 1.595 0.020 . 1 . . . . 9 LYS HD2 . 18488 1 61 . 1 1 9 9 LYS HD3 H 1 1.595 0.020 . 1 . . . . 9 LYS HD3 . 18488 1 62 . 1 1 9 9 LYS HE2 H 1 2.599 0.020 . 1 . . . . 9 LYS HE2 . 18488 1 63 . 1 1 9 9 LYS HE3 H 1 2.599 0.020 . 1 . . . . 9 LYS HE3 . 18488 1 64 . 1 1 9 9 LYS C C 13 174.857 0.3 . 1 . . . . 9 LYS C . 18488 1 65 . 1 1 9 9 LYS CA C 13 54.146 0.3 . 1 . . . . 9 LYS CA . 18488 1 66 . 1 1 9 9 LYS CB C 13 32.761 0.3 . 1 . . . . 9 LYS CB . 18488 1 67 . 1 1 9 9 LYS CG C 13 24.597 0.3 . 1 . . . . 9 LYS CG . 18488 1 68 . 1 1 9 9 LYS CD C 13 29.671 0.3 . 1 . . . . 9 LYS CD . 18488 1 69 . 1 1 9 9 LYS CE C 13 40.886 0.3 . 1 . . . . 9 LYS CE . 18488 1 70 . 1 1 9 9 LYS N N 15 127.346 0.3 . 1 . . . . 9 LYS N . 18488 1 71 . 1 1 11 11 THR C C 13 175.159 0.3 . 1 . . . . 11 THR C . 18488 1 72 . 1 1 11 11 THR CA C 13 58.517 0.3 . 1 . . . . 11 THR CA . 18488 1 73 . 1 1 11 11 THR CB C 13 63.672 0.3 . 1 . . . . 11 THR CB . 18488 1 74 . 1 1 12 12 GLU H H 1 8.197 0.020 . 1 . . . . 12 GLU H . 18488 1 75 . 1 1 12 12 GLU HA H 1 4.163 0.020 . 1 . . . . 12 GLU HA . 18488 1 76 . 1 1 12 12 GLU HB2 H 1 1.915 0.020 . 2 . . . . 12 GLU HB2 . 18488 1 77 . 1 1 12 12 GLU HB3 H 1 1.801 0.020 . 2 . . . . 12 GLU HB3 . 18488 1 78 . 1 1 12 12 GLU HG2 H 1 2.133 0.020 . 1 . . . . 12 GLU HG2 . 18488 1 79 . 1 1 12 12 GLU HG3 H 1 2.133 0.020 . 1 . . . . 12 GLU HG3 . 18488 1 80 . 1 1 12 12 GLU C C 13 176.773 0.3 . 1 . . . . 12 GLU C . 18488 1 81 . 1 1 12 12 GLU CA C 13 56.254 0.3 . 1 . . . . 12 GLU CA . 18488 1 82 . 1 1 12 12 GLU CB C 13 30.462 0.3 . 1 . . . . 12 GLU CB . 18488 1 83 . 1 1 12 12 GLU CG C 13 36.129 0.3 . 1 . . . . 12 GLU CG . 18488 1 84 . 1 1 12 12 GLU N N 15 122.468 0.3 . 1 . . . . 12 GLU N . 18488 1 85 . 1 1 13 13 ILE H H 1 7.915 0.020 . 1 . . . . 13 ILE H . 18488 1 86 . 1 1 13 13 ILE HA H 1 3.993 0.020 . 1 . . . . 13 ILE HA . 18488 1 87 . 1 1 13 13 ILE HB H 1 1.767 0.020 . 1 . . . . 13 ILE HB . 18488 1 88 . 1 1 13 13 ILE HG12 H 1 1.365 0.020 . 2 . . . . 13 ILE HG12 . 18488 1 89 . 1 1 13 13 ILE HG13 H 1 1.065 0.020 . 2 . . . . 13 ILE HG13 . 18488 1 90 . 1 1 13 13 ILE HG21 H 1 0.778 0.020 . 1 . . . . 13 ILE HG2 . 18488 1 91 . 1 1 13 13 ILE HG22 H 1 0.778 0.020 . 1 . . . . 13 ILE HG2 . 18488 1 92 . 1 1 13 13 ILE HG23 H 1 0.778 0.020 . 1 . . . . 13 ILE HG2 . 18488 1 93 . 1 1 13 13 ILE HD11 H 1 0.724 0.020 . 1 . . . . 13 ILE HD1 . 18488 1 94 . 1 1 13 13 ILE HD12 H 1 0.724 0.020 . 1 . . . . 13 ILE HD1 . 18488 1 95 . 1 1 13 13 ILE HD13 H 1 0.724 0.020 . 1 . . . . 13 ILE HD1 . 18488 1 96 . 1 1 13 13 ILE C C 13 176.719 0.3 . 1 . . . . 13 ILE C . 18488 1 97 . 1 1 13 13 ILE CA C 13 61.596 0.3 . 1 . . . . 13 ILE CA . 18488 1 98 . 1 1 13 13 ILE CB C 13 38.033 0.3 . 1 . . . . 13 ILE CB . 18488 1 99 . 1 1 13 13 ILE CG1 C 13 27.408 0.3 . 1 . . . . 13 ILE CG1 . 18488 1 100 . 1 1 13 13 ILE CG2 C 13 17.427 0.3 . 1 . . . . 13 ILE CG2 . 18488 1 101 . 1 1 13 13 ILE CD1 C 13 12.985 0.3 . 1 . . . . 13 ILE CD1 . 18488 1 102 . 1 1 13 13 ILE N N 15 121.961 0.3 . 1 . . . . 13 ILE N . 18488 1 103 . 1 1 14 14 PRO HA H 1 4.520 0.020 . 1 . . . . 14 PRO HA . 18488 1 104 . 1 1 14 14 PRO HB2 H 1 2.180 0.020 . 1 . . . . 14 PRO HB2 . 18488 1 105 . 1 1 14 14 PRO HB3 H 1 2.180 0.020 . 1 . . . . 14 PRO HB3 . 18488 1 106 . 1 1 14 14 PRO HG2 H 1 1.915 0.020 . 1 . . . . 14 PRO HG2 . 18488 1 107 . 1 1 14 14 PRO HG3 H 1 1.915 0.020 . 1 . . . . 14 PRO HG3 . 18488 1 108 . 1 1 14 14 PRO HD2 H 1 3.525 0.020 . 1 . . . . 14 PRO HD2 . 18488 1 109 . 1 1 14 14 PRO HD3 H 1 3.525 0.020 . 1 . . . . 14 PRO HD3 . 18488 1 110 . 1 1 14 14 PRO C C 13 179.733 0.3 . 1 . . . . 14 PRO C . 18488 1 111 . 1 1 14 14 PRO CA C 13 62.912 0.3 . 1 . . . . 14 PRO CA . 18488 1 112 . 1 1 14 14 PRO CB C 13 32.141 0.3 . 1 . . . . 14 PRO CB . 18488 1 113 . 1 1 14 14 PRO CG C 13 27.346 0.3 . 1 . . . . 14 PRO CG . 18488 1 114 . 1 1 14 14 PRO CD C 13 50.618 0.3 . 1 . . . . 14 PRO CD . 18488 1 115 . 1 1 15 15 LEU H H 1 8.794 0.020 . 1 . . . . 15 LEU H . 18488 1 116 . 1 1 15 15 LEU C C 13 178.901 0.3 . 1 . . . . 15 LEU C . 18488 1 117 . 1 1 15 15 LEU CA C 13 58.055 0.3 . 1 . . . . 15 LEU CA . 18488 1 118 . 1 1 15 15 LEU CB C 13 41.597 0.3 . 1 . . . . 15 LEU CB . 18488 1 119 . 1 1 15 15 LEU N N 15 125.087 0.3 . 1 . . . . 15 LEU N . 18488 1 120 . 1 1 16 16 SER H H 1 7.233 0.020 . 1 . . . . 16 SER H . 18488 1 121 . 1 1 16 16 SER HA H 1 3.980 0.020 . 1 . . . . 16 SER HA . 18488 1 122 . 1 1 16 16 SER HB2 H 1 3.630 0.020 . 1 . . . . 16 SER HB2 . 18488 1 123 . 1 1 16 16 SER HB3 H 1 3.630 0.020 . 1 . . . . 16 SER HB3 . 18488 1 124 . 1 1 16 16 SER C C 13 176.185 0.3 . 1 . . . . 16 SER C . 18488 1 125 . 1 1 16 16 SER CA C 13 59.228 0.3 . 1 . . . . 16 SER CA . 18488 1 126 . 1 1 16 16 SER CB C 13 62.335 0.3 . 1 . . . . 16 SER CB . 18488 1 127 . 1 1 16 16 SER N N 15 108.324 0.3 . 1 . . . . 16 SER N . 18488 1 128 . 1 1 17 17 GLU H H 1 7.846 0.020 . 1 . . . . 17 GLU H . 18488 1 129 . 1 1 17 17 GLU HA H 1 4.256 0.020 . 1 . . . . 17 GLU HA . 18488 1 130 . 1 1 17 17 GLU HB2 H 1 2.273 0.020 . 1 . . . . 17 GLU HB2 . 18488 1 131 . 1 1 17 17 GLU HB3 H 1 2.273 0.020 . 1 . . . . 17 GLU HB3 . 18488 1 132 . 1 1 17 17 GLU HG2 H 1 2.148 0.020 . 1 . . . . 17 GLU HG2 . 18488 1 133 . 1 1 17 17 GLU HG3 H 1 2.148 0.020 . 1 . . . . 17 GLU HG3 . 18488 1 134 . 1 1 17 17 GLU C C 13 176.321 0.3 . 1 . . . . 17 GLU C . 18488 1 135 . 1 1 17 17 GLU CA C 13 56.153 0.3 . 1 . . . . 17 GLU CA . 18488 1 136 . 1 1 17 17 GLU CB C 13 33.849 0.3 . 1 . . . . 17 GLU CB . 18488 1 137 . 1 1 17 17 GLU CG C 13 36.725 0.3 . 1 . . . . 17 GLU CG . 18488 1 138 . 1 1 17 17 GLU N N 15 120.581 0.3 . 1 . . . . 17 GLU N . 18488 1 139 . 1 1 18 18 ILE H H 1 7.408 0.020 . 1 . . . . 18 ILE H . 18488 1 140 . 1 1 18 18 ILE HA H 1 3.769 0.020 . 1 . . . . 18 ILE HA . 18488 1 141 . 1 1 18 18 ILE HB H 1 1.778 0.020 . 1 . . . . 18 ILE HB . 18488 1 142 . 1 1 18 18 ILE HG12 H 1 1.384 0.020 . 2 . . . . 18 ILE HG12 . 18488 1 143 . 1 1 18 18 ILE HG13 H 1 1.022 0.020 . 2 . . . . 18 ILE HG13 . 18488 1 144 . 1 1 18 18 ILE HG21 H 1 0.576 0.020 . 1 . . . . 18 ILE HG2 . 18488 1 145 . 1 1 18 18 ILE HG22 H 1 0.576 0.020 . 1 . . . . 18 ILE HG2 . 18488 1 146 . 1 1 18 18 ILE HG23 H 1 0.576 0.020 . 1 . . . . 18 ILE HG2 . 18488 1 147 . 1 1 18 18 ILE HD11 H 1 0.394 0.020 . 1 . . . . 18 ILE HD1 . 18488 1 148 . 1 1 18 18 ILE HD12 H 1 0.394 0.020 . 1 . . . . 18 ILE HD1 . 18488 1 149 . 1 1 18 18 ILE HD13 H 1 0.394 0.020 . 1 . . . . 18 ILE HD1 . 18488 1 150 . 1 1 18 18 ILE C C 13 176.210 0.3 . 1 . . . . 18 ILE C . 18488 1 151 . 1 1 18 18 ILE CA C 13 62.505 0.3 . 1 . . . . 18 ILE CA . 18488 1 152 . 1 1 18 18 ILE CB C 13 37.636 0.3 . 1 . . . . 18 ILE CB . 18488 1 153 . 1 1 18 18 ILE CG1 C 13 28.244 0.3 . 1 . . . . 18 ILE CG1 . 18488 1 154 . 1 1 18 18 ILE CG2 C 13 18.348 0.3 . 1 . . . . 18 ILE CG2 . 18488 1 155 . 1 1 18 18 ILE CD1 C 13 13.149 0.3 . 1 . . . . 18 ILE CD1 . 18488 1 156 . 1 1 18 18 ILE N N 15 119.839 0.3 . 1 . . . . 18 ILE N . 18488 1 157 . 1 1 19 19 ARG H H 1 8.882 0.020 . 1 . . . . 19 ARG H . 18488 1 158 . 1 1 19 19 ARG C C 13 173.746 0.3 . 1 . . . . 19 ARG C . 18488 1 159 . 1 1 19 19 ARG N N 15 129.697 0.3 . 1 . . . . 19 ARG N . 18488 1 160 . 1 1 21 21 PRO HA H 1 3.892 0.020 . 1 . . . . 21 PRO HA . 18488 1 161 . 1 1 21 21 PRO HB2 H 1 2.197 0.020 . 1 . . . . 21 PRO HB2 . 18488 1 162 . 1 1 21 21 PRO HB3 H 1 2.197 0.020 . 1 . . . . 21 PRO HB3 . 18488 1 163 . 1 1 21 21 PRO HG2 H 1 1.924 0.020 . 1 . . . . 21 PRO HG2 . 18488 1 164 . 1 1 21 21 PRO HG3 H 1 1.924 0.020 . 1 . . . . 21 PRO HG3 . 18488 1 165 . 1 1 21 21 PRO HD2 H 1 3.789 0.020 . 1 . . . . 21 PRO HD2 . 18488 1 166 . 1 1 21 21 PRO HD3 H 1 3.789 0.020 . 1 . . . . 21 PRO HD3 . 18488 1 167 . 1 1 21 21 PRO CA C 13 63.639 0.3 . 1 . . . . 21 PRO CA . 18488 1 168 . 1 1 21 21 PRO CB C 13 32.140 0.3 . 1 . . . . 21 PRO CB . 18488 1 169 . 1 1 21 21 PRO CG C 13 27.365 0.3 . 1 . . . . 21 PRO CG . 18488 1 170 . 1 1 21 21 PRO CD C 13 51.126 0.3 . 1 . . . . 21 PRO CD . 18488 1 171 . 1 1 22 22 LEU H H 1 8.244 0.020 . 1 . . . . 22 LEU H . 18488 1 172 . 1 1 22 22 LEU C C 13 177.287 0.3 . 1 . . . . 22 LEU C . 18488 1 173 . 1 1 22 22 LEU CA C 13 55.718 0.3 . 1 . . . . 22 LEU CA . 18488 1 174 . 1 1 22 22 LEU CB C 13 41.919 0.3 . 1 . . . . 22 LEU CB . 18488 1 175 . 1 1 22 22 LEU CG C 13 26.948 0.3 . 1 . . . . 22 LEU CG . 18488 1 176 . 1 1 22 22 LEU CD1 C 13 25.511 0.3 . 1 . . . . 22 LEU CD1 . 18488 1 177 . 1 1 22 22 LEU CD2 C 13 24.694 0.3 . 1 . . . . 22 LEU CD2 . 18488 1 178 . 1 1 22 22 LEU N N 15 122.604 0.3 . 1 . . . . 22 LEU N . 18488 1 179 . 1 1 23 23 ALA H H 1 8.101 0.020 . 1 . . . . 23 ALA H . 18488 1 180 . 1 1 23 23 ALA HA H 1 4.478 0.020 . 1 . . . . 23 ALA HA . 18488 1 181 . 1 1 23 23 ALA HB1 H 1 1.288 0.020 . 1 . . . . 23 ALA HB . 18488 1 182 . 1 1 23 23 ALA HB2 H 1 1.288 0.020 . 1 . . . . 23 ALA HB . 18488 1 183 . 1 1 23 23 ALA HB3 H 1 1.288 0.020 . 1 . . . . 23 ALA HB . 18488 1 184 . 1 1 23 23 ALA C C 13 175.836 0.3 . 1 . . . . 23 ALA C . 18488 1 185 . 1 1 23 23 ALA CA C 13 50.328 0.3 . 1 . . . . 23 ALA CA . 18488 1 186 . 1 1 23 23 ALA CB C 13 17.934 0.3 . 1 . . . . 23 ALA CB . 18488 1 187 . 1 1 23 23 ALA N N 15 126.014 0.3 . 1 . . . . 23 ALA N . 18488 1 188 . 1 1 24 24 PRO HA H 1 4.305 0.020 . 1 . . . . 24 PRO HA . 18488 1 189 . 1 1 24 24 PRO HB2 H 1 2.196 0.020 . 1 . . . . 24 PRO HB2 . 18488 1 190 . 1 1 24 24 PRO HB3 H 1 2.196 0.020 . 1 . . . . 24 PRO HB3 . 18488 1 191 . 1 1 24 24 PRO HG2 H 1 1.813 0.020 . 1 . . . . 24 PRO HG2 . 18488 1 192 . 1 1 24 24 PRO HG3 H 1 1.813 0.020 . 1 . . . . 24 PRO HG3 . 18488 1 193 . 1 1 24 24 PRO HD2 H 1 3.580 0.020 . 1 . . . . 24 PRO HD2 . 18488 1 194 . 1 1 24 24 PRO HD3 H 1 3.580 0.020 . 1 . . . . 24 PRO HD3 . 18488 1 195 . 1 1 24 24 PRO CA C 13 63.290 0.3 . 1 . . . . 24 PRO CA . 18488 1 196 . 1 1 24 24 PRO CB C 13 32.156 0.3 . 1 . . . . 24 PRO CB . 18488 1 197 . 1 1 24 24 PRO CG C 13 27.421 0.3 . 1 . . . . 24 PRO CG . 18488 1 198 . 1 1 24 24 PRO CD C 13 51.029 0.3 . 1 . . . . 24 PRO CD . 18488 1 199 . 1 1 25 25 VAL H H 1 8.138 0.020 . 1 . . . . 25 VAL H . 18488 1 200 . 1 1 25 25 VAL C C 13 176.599 0.3 . 1 . . . . 25 VAL C . 18488 1 201 . 1 1 25 25 VAL CA C 13 61.963 0.3 . 1 . . . . 25 VAL CA . 18488 1 202 . 1 1 25 25 VAL CB C 13 32.212 0.3 . 1 . . . . 25 VAL CB . 18488 1 203 . 1 1 25 25 VAL CG1 C 13 17.605 0.3 . 1 . . . . 25 VAL CG1 . 18488 1 204 . 1 1 25 25 VAL CG2 C 13 21.061 0.3 . 1 . . . . 25 VAL CG2 . 18488 1 205 . 1 1 25 25 VAL N N 15 120.926 0.3 . 1 . . . . 25 VAL N . 18488 1 206 . 1 1 26 26 LEU H H 1 8.229 0.020 . 1 . . . . 26 LEU H . 18488 1 207 . 1 1 26 26 LEU HA H 1 4.255 0.020 . 1 . . . . 26 LEU HA . 18488 1 208 . 1 1 26 26 LEU HB2 H 1 1.514 0.020 . 1 . . . . 26 LEU HB2 . 18488 1 209 . 1 1 26 26 LEU HB3 H 1 1.514 0.020 . 1 . . . . 26 LEU HB3 . 18488 1 210 . 1 1 26 26 LEU HG H 1 1.590 0.020 . 1 . . . . 26 LEU HG . 18488 1 211 . 1 1 26 26 LEU HD11 H 1 0.810 0.020 . 1 . . . . 26 LEU HD1 . 18488 1 212 . 1 1 26 26 LEU HD12 H 1 0.810 0.020 . 1 . . . . 26 LEU HD1 . 18488 1 213 . 1 1 26 26 LEU HD13 H 1 0.810 0.020 . 1 . . . . 26 LEU HD1 . 18488 1 214 . 1 1 26 26 LEU HD21 H 1 0.754 0.020 . 1 . . . . 26 LEU HD2 . 18488 1 215 . 1 1 26 26 LEU HD22 H 1 0.754 0.020 . 1 . . . . 26 LEU HD2 . 18488 1 216 . 1 1 26 26 LEU HD23 H 1 0.754 0.020 . 1 . . . . 26 LEU HD2 . 18488 1 217 . 1 1 26 26 LEU C C 13 176.537 0.3 . 1 . . . . 26 LEU C . 18488 1 218 . 1 1 26 26 LEU CA C 13 56.062 0.3 . 1 . . . . 26 LEU CA . 18488 1 219 . 1 1 26 26 LEU CB C 13 42.481 0.3 . 1 . . . . 26 LEU CB . 18488 1 220 . 1 1 26 26 LEU CG C 13 27.057 0.3 . 1 . . . . 26 LEU CG . 18488 1 221 . 1 1 26 26 LEU CD1 C 13 24.796 0.3 . 1 . . . . 26 LEU CD1 . 18488 1 222 . 1 1 26 26 LEU CD2 C 13 23.682 0.3 . 1 . . . . 26 LEU CD2 . 18488 1 223 . 1 1 26 26 LEU N N 15 126.696 0.3 . 1 . . . . 26 LEU N . 18488 1 224 . 1 1 27 27 ASP H H 1 8.199 0.020 . 1 . . . . 27 ASP H . 18488 1 225 . 1 1 27 27 ASP C C 13 176.573 0.3 . 1 . . . . 27 ASP C . 18488 1 226 . 1 1 27 27 ASP CA C 13 52.559 0.3 . 1 . . . . 27 ASP CA . 18488 1 227 . 1 1 27 27 ASP CB C 13 40.935 0.3 . 1 . . . . 27 ASP CB . 18488 1 228 . 1 1 27 27 ASP N N 15 122.692 0.3 . 1 . . . . 27 ASP N . 18488 1 229 . 1 1 29 29 GLN C C 13 176.794 0.3 . 1 . . . . 29 GLN C . 18488 1 230 . 1 1 29 29 GLN CA C 13 56.310 0.3 . 1 . . . . 29 GLN CA . 18488 1 231 . 1 1 29 29 GLN CB C 13 29.894 0.3 . 1 . . . . 29 GLN CB . 18488 1 232 . 1 1 30 30 LYS H H 1 8.118 0.020 . 1 . . . . 30 LYS H . 18488 1 233 . 1 1 30 30 LYS HA H 1 4.206 0.020 . 1 . . . . 30 LYS HA . 18488 1 234 . 1 1 30 30 LYS HB2 H 1 1.993 0.020 . 1 . . . . 30 LYS HB2 . 18488 1 235 . 1 1 30 30 LYS HB3 H 1 1.993 0.020 . 1 . . . . 30 LYS HB3 . 18488 1 236 . 1 1 30 30 LYS HG2 H 1 1.339 0.020 . 1 . . . . 30 LYS HG2 . 18488 1 237 . 1 1 30 30 LYS HG3 H 1 1.339 0.020 . 1 . . . . 30 LYS HG3 . 18488 1 238 . 1 1 30 30 LYS HD2 H 1 1.910 0.020 . 1 . . . . 30 LYS HD2 . 18488 1 239 . 1 1 30 30 LYS HD3 H 1 1.910 0.020 . 1 . . . . 30 LYS HD3 . 18488 1 240 . 1 1 30 30 LYS HE2 H 1 2.893 0.020 . 1 . . . . 30 LYS HE2 . 18488 1 241 . 1 1 30 30 LYS HE3 H 1 2.893 0.020 . 1 . . . . 30 LYS HE3 . 18488 1 242 . 1 1 30 30 LYS C C 13 177.527 0.3 . 1 . . . . 30 LYS C . 18488 1 243 . 1 1 30 30 LYS CA C 13 56.388 0.3 . 1 . . . . 30 LYS CA . 18488 1 244 . 1 1 30 30 LYS CB C 13 32.884 0.3 . 1 . . . . 30 LYS CB . 18488 1 245 . 1 1 30 30 LYS CG C 13 24.896 0.3 . 1 . . . . 30 LYS CG . 18488 1 246 . 1 1 30 30 LYS CD C 13 29.953 0.3 . 1 . . . . 30 LYS CD . 18488 1 247 . 1 1 30 30 LYS CE C 13 42.260 0.3 . 1 . . . . 30 LYS CE . 18488 1 248 . 1 1 30 30 LYS N N 15 120.551 0.3 . 1 . . . . 30 LYS N . 18488 1 249 . 1 1 31 31 ILE H H 1 7.887 0.020 . 1 . . . . 31 ILE H . 18488 1 250 . 1 1 31 31 ILE HA H 1 3.914 0.020 . 1 . . . . 31 ILE HA . 18488 1 251 . 1 1 31 31 ILE HB H 1 2.202 0.020 . 1 . . . . 31 ILE HB . 18488 1 252 . 1 1 31 31 ILE HG12 H 1 1.915 0.020 . 1 . . . . 31 ILE HG12 . 18488 1 253 . 1 1 31 31 ILE HG13 H 1 1.915 0.020 . 1 . . . . 31 ILE HG13 . 18488 1 254 . 1 1 31 31 ILE HG21 H 1 0.850 0.020 . 1 . . . . 31 ILE HG2 . 18488 1 255 . 1 1 31 31 ILE HG22 H 1 0.850 0.020 . 1 . . . . 31 ILE HG2 . 18488 1 256 . 1 1 31 31 ILE HG23 H 1 0.850 0.020 . 1 . . . . 31 ILE HG2 . 18488 1 257 . 1 1 31 31 ILE C C 13 175.971 0.3 . 1 . . . . 31 ILE C . 18488 1 258 . 1 1 31 31 ILE CA C 13 63.097 0.3 . 1 . . . . 31 ILE CA . 18488 1 259 . 1 1 31 31 ILE CB C 13 32.160 0.3 . 1 . . . . 31 ILE CB . 18488 1 260 . 1 1 31 31 ILE CG1 C 13 27.418 0.3 . 1 . . . . 31 ILE CG1 . 18488 1 261 . 1 1 31 31 ILE CG2 C 13 21.009 0.3 . 1 . . . . 31 ILE CG2 . 18488 1 262 . 1 1 31 31 ILE N N 15 120.235 0.3 . 1 . . . . 31 ILE N . 18488 1 263 . 1 1 32 32 ASP C C 13 176.801 0.3 . 1 . . . . 32 ASP C . 18488 1 264 . 1 1 32 32 ASP CA C 13 54.445 0.3 . 1 . . . . 32 ASP CA . 18488 1 265 . 1 1 32 32 ASP CB C 13 41.036 0.3 . 1 . . . . 32 ASP CB . 18488 1 266 . 1 1 33 33 ALA H H 1 8.054 0.020 . 1 . . . . 33 ALA H . 18488 1 267 . 1 1 33 33 ALA HA H 1 4.131 0.020 . 1 . . . . 33 ALA HA . 18488 1 268 . 1 1 33 33 ALA HB1 H 1 1.329 0.020 . 1 . . . . 33 ALA HB . 18488 1 269 . 1 1 33 33 ALA HB2 H 1 1.329 0.020 . 1 . . . . 33 ALA HB . 18488 1 270 . 1 1 33 33 ALA HB3 H 1 1.329 0.020 . 1 . . . . 33 ALA HB . 18488 1 271 . 1 1 33 33 ALA C C 13 178.720 0.3 . 1 . . . . 33 ALA C . 18488 1 272 . 1 1 33 33 ALA CA C 13 53.024 0.3 . 1 . . . . 33 ALA CA . 18488 1 273 . 1 1 33 33 ALA CB C 13 19.043 0.3 . 1 . . . . 33 ALA CB . 18488 1 274 . 1 1 33 33 ALA N N 15 123.977 0.3 . 1 . . . . 33 ALA N . 18488 1 275 . 1 1 34 34 MET H H 1 8.329 0.020 . 1 . . . . 34 MET H . 18488 1 276 . 1 1 34 34 MET HA H 1 4.347 0.020 . 1 . . . . 34 MET HA . 18488 1 277 . 1 1 34 34 MET HB2 H 1 1.800 0.020 . 1 . . . . 34 MET HB2 . 18488 1 278 . 1 1 34 34 MET HB3 H 1 1.800 0.020 . 1 . . . . 34 MET HB3 . 18488 1 279 . 1 1 34 34 MET HG2 H 1 2.510 0.020 . 1 . . . . 34 MET HG2 . 18488 1 280 . 1 1 34 34 MET HG3 H 1 2.510 0.020 . 1 . . . . 34 MET HG3 . 18488 1 281 . 1 1 34 34 MET C C 13 176.483 0.3 . 1 . . . . 34 MET C . 18488 1 282 . 1 1 34 34 MET CA C 13 55.884 0.3 . 1 . . . . 34 MET CA . 18488 1 283 . 1 1 34 34 MET CB C 13 30.544 0.3 . 1 . . . . 34 MET CB . 18488 1 284 . 1 1 34 34 MET CG C 13 32.024 0.3 . 1 . . . . 34 MET CG . 18488 1 285 . 1 1 34 34 MET N N 15 117.823 0.3 . 1 . . . . 34 MET N . 18488 1 286 . 1 1 35 35 VAL H H 1 7.964 0.020 . 1 . . . . 35 VAL H . 18488 1 287 . 1 1 35 35 VAL HA H 1 3.963 0.020 . 1 . . . . 35 VAL HA . 18488 1 288 . 1 1 35 35 VAL HB H 1 1.950 0.020 . 1 . . . . 35 VAL HB . 18488 1 289 . 1 1 35 35 VAL HG11 H 1 0.836 0.020 . 1 . . . . 35 VAL HG1 . 18488 1 290 . 1 1 35 35 VAL HG12 H 1 0.836 0.020 . 1 . . . . 35 VAL HG1 . 18488 1 291 . 1 1 35 35 VAL HG13 H 1 0.836 0.020 . 1 . . . . 35 VAL HG1 . 18488 1 292 . 1 1 35 35 VAL HG21 H 1 0.836 0.020 . 1 . . . . 35 VAL HG2 . 18488 1 293 . 1 1 35 35 VAL HG22 H 1 0.836 0.020 . 1 . . . . 35 VAL HG2 . 18488 1 294 . 1 1 35 35 VAL HG23 H 1 0.836 0.020 . 1 . . . . 35 VAL HG2 . 18488 1 295 . 1 1 35 35 VAL C C 13 176.808 0.3 . 1 . . . . 35 VAL C . 18488 1 296 . 1 1 35 35 VAL CA C 13 62.599 0.3 . 1 . . . . 35 VAL CA . 18488 1 297 . 1 1 35 35 VAL CB C 13 32.712 0.3 . 1 . . . . 35 VAL CB . 18488 1 298 . 1 1 35 35 VAL CG1 C 13 21.003 0.3 . 1 . . . . 35 VAL CG1 . 18488 1 299 . 1 1 35 35 VAL CG2 C 13 21.003 0.3 . 1 . . . . 35 VAL CG2 . 18488 1 300 . 1 1 35 35 VAL N N 15 120.511 0.3 . 1 . . . . 35 VAL N . 18488 1 301 . 1 1 36 36 ALA H H 1 8.278 0.020 . 1 . . . . 36 ALA H . 18488 1 302 . 1 1 36 36 ALA HA H 1 4.238 0.020 . 1 . . . . 36 ALA HA . 18488 1 303 . 1 1 36 36 ALA HB1 H 1 1.283 0.020 . 1 . . . . 36 ALA HB . 18488 1 304 . 1 1 36 36 ALA HB2 H 1 1.283 0.020 . 1 . . . . 36 ALA HB . 18488 1 305 . 1 1 36 36 ALA HB3 H 1 1.283 0.020 . 1 . . . . 36 ALA HB . 18488 1 306 . 1 1 36 36 ALA C C 13 178.673 0.3 . 1 . . . . 36 ALA C . 18488 1 307 . 1 1 36 36 ALA CA C 13 52.770 0.3 . 1 . . . . 36 ALA CA . 18488 1 308 . 1 1 36 36 ALA CB C 13 19.235 0.3 . 1 . . . . 36 ALA CB . 18488 1 309 . 1 1 36 36 ALA N N 15 126.462 0.3 . 1 . . . . 36 ALA N . 18488 1 310 . 1 1 37 37 THR H H 1 8.094 0.020 . 1 . . . . 37 THR H . 18488 1 311 . 1 1 37 37 THR HA H 1 4.189 0.020 . 1 . . . . 37 THR HA . 18488 1 312 . 1 1 37 37 THR HB H 1 3.768 0.020 . 1 . . . . 37 THR HB . 18488 1 313 . 1 1 37 37 THR HG21 H 1 1.049 0.020 . 1 . . . . 37 THR HG2 . 18488 1 314 . 1 1 37 37 THR HG22 H 1 1.049 0.020 . 1 . . . . 37 THR HG2 . 18488 1 315 . 1 1 37 37 THR HG23 H 1 1.049 0.020 . 1 . . . . 37 THR HG2 . 18488 1 316 . 1 1 37 37 THR C C 13 175.139 0.3 . 1 . . . . 37 THR C . 18488 1 317 . 1 1 37 37 THR CA C 13 58.418 0.3 . 1 . . . . 37 THR CA . 18488 1 318 . 1 1 37 37 THR CB C 13 63.958 0.3 . 1 . . . . 37 THR CB . 18488 1 319 . 1 1 37 37 THR CG2 C 13 27.204 0.3 . 1 . . . . 37 THR CG2 . 18488 1 320 . 1 1 37 37 THR N N 15 114.846 0.3 . 1 . . . . 37 THR N . 18488 1 321 . 1 1 38 38 MET C C 13 175.757 0.3 . 1 . . . . 38 MET C . 18488 1 322 . 1 1 38 38 MET CA C 13 55.514 0.3 . 1 . . . . 38 MET CA . 18488 1 323 . 1 1 38 38 MET CB C 13 26.509 0.3 . 1 . . . . 38 MET CB . 18488 1 324 . 1 1 39 39 LYS H H 1 8.270 0.020 . 1 . . . . 39 LYS H . 18488 1 325 . 1 1 39 39 LYS HA H 1 4.189 0.020 . 1 . . . . 39 LYS HA . 18488 1 326 . 1 1 39 39 LYS HB2 H 1 1.768 0.020 . 2 . . . . 39 LYS HB2 . 18488 1 327 . 1 1 39 39 LYS HB3 H 1 1.680 0.020 . 2 . . . . 39 LYS HB3 . 18488 1 328 . 1 1 39 39 LYS HG2 H 1 1.350 0.020 . 1 . . . . 39 LYS HG2 . 18488 1 329 . 1 1 39 39 LYS HG3 H 1 1.350 0.020 . 1 . . . . 39 LYS HG3 . 18488 1 330 . 1 1 39 39 LYS HD2 H 1 1.583 0.020 . 1 . . . . 39 LYS HD2 . 18488 1 331 . 1 1 39 39 LYS HD3 H 1 1.583 0.020 . 1 . . . . 39 LYS HD3 . 18488 1 332 . 1 1 39 39 LYS HE2 H 1 2.892 0.020 . 1 . . . . 39 LYS HE2 . 18488 1 333 . 1 1 39 39 LYS HE3 H 1 2.892 0.020 . 1 . . . . 39 LYS HE3 . 18488 1 334 . 1 1 39 39 LYS C C 13 177.376 0.3 . 1 . . . . 39 LYS C . 18488 1 335 . 1 1 39 39 LYS CA C 13 56.501 0.3 . 1 . . . . 39 LYS CA . 18488 1 336 . 1 1 39 39 LYS CB C 13 32.764 0.3 . 1 . . . . 39 LYS CB . 18488 1 337 . 1 1 39 39 LYS CG C 13 24.898 0.3 . 1 . . . . 39 LYS CG . 18488 1 338 . 1 1 39 39 LYS CD C 13 29.073 0.3 . 1 . . . . 39 LYS CD . 18488 1 339 . 1 1 39 39 LYS CE C 13 42.218 0.3 . 1 . . . . 39 LYS CE . 18488 1 340 . 1 1 39 39 LYS N N 15 121.719 0.3 . 1 . . . . 39 LYS N . 18488 1 341 . 1 1 40 40 GLY H H 1 8.249 0.020 . 1 . . . . 40 GLY H . 18488 1 342 . 1 1 40 40 GLY HA2 H 1 3.850 0.020 . 1 . . . . 40 GLY HA2 . 18488 1 343 . 1 1 40 40 GLY HA3 H 1 3.850 0.020 . 1 . . . . 40 GLY HA3 . 18488 1 344 . 1 1 40 40 GLY C C 13 174.124 0.3 . 1 . . . . 40 GLY C . 18488 1 345 . 1 1 40 40 GLY CA C 13 45.321 0.3 . 1 . . . . 40 GLY CA . 18488 1 346 . 1 1 40 40 GLY N N 15 109.613 0.3 . 1 . . . . 40 GLY N . 18488 1 347 . 1 1 41 41 ILE H H 1 7.754 0.020 . 1 . . . . 41 ILE H . 18488 1 348 . 1 1 41 41 ILE HA H 1 4.373 0.020 . 1 . . . . 41 ILE HA . 18488 1 349 . 1 1 41 41 ILE HB H 1 1.765 0.020 . 1 . . . . 41 ILE HB . 18488 1 350 . 1 1 41 41 ILE HG12 H 1 1.379 0.020 . 2 . . . . 41 ILE HG12 . 18488 1 351 . 1 1 41 41 ILE HG13 H 1 1.042 0.020 . 2 . . . . 41 ILE HG13 . 18488 1 352 . 1 1 41 41 ILE HG21 H 1 0.833 0.020 . 1 . . . . 41 ILE HG2 . 18488 1 353 . 1 1 41 41 ILE HG22 H 1 0.833 0.020 . 1 . . . . 41 ILE HG2 . 18488 1 354 . 1 1 41 41 ILE HG23 H 1 0.833 0.020 . 1 . . . . 41 ILE HG2 . 18488 1 355 . 1 1 41 41 ILE HD11 H 1 0.736 0.020 . 1 . . . . 41 ILE HD1 . 18488 1 356 . 1 1 41 41 ILE HD12 H 1 0.736 0.020 . 1 . . . . 41 ILE HD1 . 18488 1 357 . 1 1 41 41 ILE HD13 H 1 0.736 0.020 . 1 . . . . 41 ILE HD1 . 18488 1 358 . 1 1 41 41 ILE C C 13 175.128 0.3 . 1 . . . . 41 ILE C . 18488 1 359 . 1 1 41 41 ILE CA C 13 58.737 0.3 . 1 . . . . 41 ILE CA . 18488 1 360 . 1 1 41 41 ILE CB C 13 38.498 0.3 . 1 . . . . 41 ILE CB . 18488 1 361 . 1 1 41 41 ILE CG1 C 13 26.910 0.3 . 1 . . . . 41 ILE CG1 . 18488 1 362 . 1 1 41 41 ILE CG2 C 13 17.116 0.3 . 1 . . . . 41 ILE CG2 . 18488 1 363 . 1 1 41 41 ILE CD1 C 13 12.855 0.3 . 1 . . . . 41 ILE CD1 . 18488 1 364 . 1 1 41 41 ILE N N 15 120.551 0.3 . 1 . . . . 41 ILE N . 18488 1 365 . 1 1 42 42 PRO HA H 1 4.334 0.020 . 1 . . . . 42 PRO HA . 18488 1 366 . 1 1 42 42 PRO HB2 H 1 2.180 0.020 . 2 . . . . 42 PRO HB2 . 18488 1 367 . 1 1 42 42 PRO HB3 H 1 1.774 0.020 . 2 . . . . 42 PRO HB3 . 18488 1 368 . 1 1 42 42 PRO HG2 H 1 1.840 0.020 . 1 . . . . 42 PRO HG2 . 18488 1 369 . 1 1 42 42 PRO HG3 H 1 1.840 0.020 . 1 . . . . 42 PRO HG3 . 18488 1 370 . 1 1 42 42 PRO HD2 H 1 3.484 0.020 . 1 . . . . 42 PRO HD2 . 18488 1 371 . 1 1 42 42 PRO HD3 H 1 3.484 0.020 . 1 . . . . 42 PRO HD3 . 18488 1 372 . 1 1 42 42 PRO CA C 13 63.257 0.3 . 1 . . . . 42 PRO CA . 18488 1 373 . 1 1 42 42 PRO CB C 13 32.142 0.3 . 1 . . . . 42 PRO CB . 18488 1 374 . 1 1 42 42 PRO CG C 13 27.390 0.3 . 1 . . . . 42 PRO CG . 18488 1 375 . 1 1 42 42 PRO CD C 13 50.486 0.3 . 1 . . . . 42 PRO CD . 18488 1 376 . 1 1 43 43 THR H H 1 8.068 0.020 . 1 . . . . 43 THR H . 18488 1 377 . 1 1 43 43 THR HA H 1 4.189 0.020 . 1 . . . . 43 THR HA . 18488 1 378 . 1 1 43 43 THR HB H 1 4.109 0.020 . 1 . . . . 43 THR HB . 18488 1 379 . 1 1 43 43 THR HG21 H 1 0.817 0.020 . 1 . . . . 43 THR HG2 . 18488 1 380 . 1 1 43 43 THR HG22 H 1 0.817 0.020 . 1 . . . . 43 THR HG2 . 18488 1 381 . 1 1 43 43 THR HG23 H 1 0.817 0.020 . 1 . . . . 43 THR HG2 . 18488 1 382 . 1 1 43 43 THR C C 13 175.032 0.3 . 1 . . . . 43 THR C . 18488 1 383 . 1 1 43 43 THR CA C 13 61.981 0.3 . 1 . . . . 43 THR CA . 18488 1 384 . 1 1 43 43 THR CB C 13 69.177 0.3 . 1 . . . . 43 THR CB . 18488 1 385 . 1 1 43 43 THR CG2 C 13 21.432 0.3 . 1 . . . . 43 THR CG2 . 18488 1 386 . 1 1 43 43 THR N N 15 114.605 0.3 . 1 . . . . 43 THR N . 18488 1 387 . 1 1 44 44 ALA H H 1 8.295 0.020 . 1 . . . . 44 ALA H . 18488 1 388 . 1 1 44 44 ALA HA H 1 4.236 0.020 . 1 . . . . 44 ALA HA . 18488 1 389 . 1 1 44 44 ALA HB1 H 1 1.282 0.020 . 1 . . . . 44 ALA HB . 18488 1 390 . 1 1 44 44 ALA HB2 H 1 1.282 0.020 . 1 . . . . 44 ALA HB . 18488 1 391 . 1 1 44 44 ALA HB3 H 1 1.282 0.020 . 1 . . . . 44 ALA HB . 18488 1 392 . 1 1 44 44 ALA C C 13 178.288 0.3 . 1 . . . . 44 ALA C . 18488 1 393 . 1 1 44 44 ALA CA C 13 52.796 0.3 . 1 . . . . 44 ALA CA . 18488 1 394 . 1 1 44 44 ALA CB C 13 19.268 0.3 . 1 . . . . 44 ALA CB . 18488 1 395 . 1 1 44 44 ALA N N 15 126.091 0.3 . 1 . . . . 44 ALA N . 18488 1 396 . 1 1 45 45 SER H H 1 8.203 0.020 . 1 . . . . 45 SER H . 18488 1 397 . 1 1 45 45 SER HA H 1 4.333 0.020 . 1 . . . . 45 SER HA . 18488 1 398 . 1 1 45 45 SER HB2 H 1 3.762 0.020 . 1 . . . . 45 SER HB2 . 18488 1 399 . 1 1 45 45 SER HB3 H 1 3.762 0.020 . 1 . . . . 45 SER HB3 . 18488 1 400 . 1 1 45 45 SER C C 13 175.291 0.3 . 1 . . . . 45 SER C . 18488 1 401 . 1 1 45 45 SER CA C 13 58.699 0.3 . 1 . . . . 45 SER CA . 18488 1 402 . 1 1 45 45 SER CB C 13 63.807 0.3 . 1 . . . . 45 SER CB . 18488 1 403 . 1 1 45 45 SER N N 15 115.098 0.3 . 1 . . . . 45 SER N . 18488 1 404 . 1 1 46 46 LYS H H 1 8.270 0.020 . 1 . . . . 46 LYS H . 18488 1 405 . 1 1 46 46 LYS HA H 1 4.284 0.020 . 1 . . . . 46 LYS HA . 18488 1 406 . 1 1 46 46 LYS HB2 H 1 1.997 0.020 . 2 . . . . 46 LYS HB2 . 18488 1 407 . 1 1 46 46 LYS HB3 H 1 1.933 0.020 . 2 . . . . 46 LYS HB3 . 18488 1 408 . 1 1 46 46 LYS HG2 H 1 1.330 0.020 . 2 . . . . 46 LYS HG2 . 18488 1 409 . 1 1 46 46 LYS HG3 H 1 1.250 0.020 . 2 . . . . 46 LYS HG3 . 18488 1 410 . 1 1 46 46 LYS HD2 H 1 1.897 0.020 . 1 . . . . 46 LYS HD2 . 18488 1 411 . 1 1 46 46 LYS HD3 H 1 1.897 0.020 . 1 . . . . 46 LYS HD3 . 18488 1 412 . 1 1 46 46 LYS HE2 H 1 2.557 0.020 . 1 . . . . 46 LYS HE2 . 18488 1 413 . 1 1 46 46 LYS HE3 H 1 2.557 0.020 . 1 . . . . 46 LYS HE3 . 18488 1 414 . 1 1 46 46 LYS C C 13 177.387 0.3 . 1 . . . . 46 LYS C . 18488 1 415 . 1 1 46 46 LYS CA C 13 55.790 0.3 . 1 . . . . 46 LYS CA . 18488 1 416 . 1 1 46 46 LYS CB C 13 32.570 0.3 . 1 . . . . 46 LYS CB . 18488 1 417 . 1 1 46 46 LYS CG C 13 25.028 0.3 . 1 . . . . 46 LYS CG . 18488 1 418 . 1 1 46 46 LYS CD C 13 29.636 0.3 . 1 . . . . 46 LYS CD . 18488 1 419 . 1 1 46 46 LYS CE C 13 42.170 0.3 . 1 . . . . 46 LYS CE . 18488 1 420 . 1 1 46 46 LYS N N 15 123.030 0.3 . 1 . . . . 46 LYS N . 18488 1 421 . 1 1 47 47 THR H H 1 7.994 0.020 . 1 . . . . 47 THR H . 18488 1 422 . 1 1 47 47 THR HA H 1 4.255 0.020 . 1 . . . . 47 THR HA . 18488 1 423 . 1 1 47 47 THR HB H 1 4.117 0.020 . 1 . . . . 47 THR HB . 18488 1 424 . 1 1 47 47 THR HG21 H 1 1.127 0.020 . 1 . . . . 47 THR HG2 . 18488 1 425 . 1 1 47 47 THR HG22 H 1 1.127 0.020 . 1 . . . . 47 THR HG2 . 18488 1 426 . 1 1 47 47 THR HG23 H 1 1.127 0.020 . 1 . . . . 47 THR HG2 . 18488 1 427 . 1 1 47 47 THR C C 13 175.128 0.3 . 1 . . . . 47 THR C . 18488 1 428 . 1 1 47 47 THR CA C 13 62.047 0.3 . 1 . . . . 47 THR CA . 18488 1 429 . 1 1 47 47 THR CB C 13 69.885 0.3 . 1 . . . . 47 THR CB . 18488 1 430 . 1 1 47 47 THR CG2 C 13 21.751 0.3 . 1 . . . . 47 THR CG2 . 18488 1 431 . 1 1 47 47 THR N N 15 113.966 0.3 . 1 . . . . 47 THR N . 18488 1 432 . 1 1 48 48 CYS H H 1 8.270 0.020 . 1 . . . . 48 CYS H . 18488 1 433 . 1 1 48 48 CYS HA H 1 4.258 0.020 . 1 . . . . 48 CYS HA . 18488 1 434 . 1 1 48 48 CYS HB2 H 1 2.007 0.020 . 2 . . . . 48 CYS HB2 . 18488 1 435 . 1 1 48 48 CYS HB3 H 1 1.903 0.020 . 2 . . . . 48 CYS HB3 . 18488 1 436 . 1 1 48 48 CYS C C 13 176.429 0.3 . 1 . . . . 48 CYS C . 18488 1 437 . 1 1 48 48 CYS CA C 13 56.046 0.3 . 1 . . . . 48 CYS CA . 18488 1 438 . 1 1 48 48 CYS CB C 13 29.519 0.3 . 1 . . . . 48 CYS CB . 18488 1 439 . 1 1 48 48 CYS N N 15 123.829 0.3 . 1 . . . . 48 CYS N . 18488 1 440 . 1 1 49 49 SER H H 1 8.238 0.020 . 1 . . . . 49 SER H . 18488 1 441 . 1 1 49 49 SER HA H 1 4.307 0.020 . 1 . . . . 49 SER HA . 18488 1 442 . 1 1 49 49 SER HB2 H 1 3.778 0.020 . 1 . . . . 49 SER HB2 . 18488 1 443 . 1 1 49 49 SER HB3 H 1 3.778 0.020 . 1 . . . . 49 SER HB3 . 18488 1 444 . 1 1 49 49 SER C C 13 175.243 0.3 . 1 . . . . 49 SER C . 18488 1 445 . 1 1 49 49 SER CA C 13 58.366 0.3 . 1 . . . . 49 SER CA . 18488 1 446 . 1 1 49 49 SER CB C 13 63.830 0.3 . 1 . . . . 49 SER CB . 18488 1 447 . 1 1 49 49 SER N N 15 115.479 0.3 . 1 . . . . 49 SER N . 18488 1 448 . 1 1 50 50 LEU H H 1 8.319 0.020 . 1 . . . . 50 LEU H . 18488 1 449 . 1 1 50 50 LEU HA H 1 4.206 0.020 . 1 . . . . 50 LEU HA . 18488 1 450 . 1 1 50 50 LEU HB2 H 1 1.614 0.020 . 1 . . . . 50 LEU HB2 . 18488 1 451 . 1 1 50 50 LEU HB3 H 1 1.614 0.020 . 1 . . . . 50 LEU HB3 . 18488 1 452 . 1 1 50 50 LEU HG H 1 1.539 0.020 . 1 . . . . 50 LEU HG . 18488 1 453 . 1 1 50 50 LEU HD11 H 1 0.637 0.020 . 1 . . . . 50 LEU HD1 . 18488 1 454 . 1 1 50 50 LEU HD12 H 1 0.637 0.020 . 1 . . . . 50 LEU HD1 . 18488 1 455 . 1 1 50 50 LEU HD13 H 1 0.637 0.020 . 1 . . . . 50 LEU HD1 . 18488 1 456 . 1 1 50 50 LEU HD21 H 1 0.797 0.020 . 1 . . . . 50 LEU HD2 . 18488 1 457 . 1 1 50 50 LEU HD22 H 1 0.797 0.020 . 1 . . . . 50 LEU HD2 . 18488 1 458 . 1 1 50 50 LEU HD23 H 1 0.797 0.020 . 1 . . . . 50 LEU HD2 . 18488 1 459 . 1 1 50 50 LEU C C 13 178.162 0.3 . 1 . . . . 50 LEU C . 18488 1 460 . 1 1 50 50 LEU CA C 13 55.626 0.3 . 1 . . . . 50 LEU CA . 18488 1 461 . 1 1 50 50 LEU CB C 13 42.470 0.3 . 1 . . . . 50 LEU CB . 18488 1 462 . 1 1 50 50 LEU CG C 13 26.948 0.3 . 1 . . . . 50 LEU CG . 18488 1 463 . 1 1 50 50 LEU CD1 C 13 23.102 0.3 . 1 . . . . 50 LEU CD1 . 18488 1 464 . 1 1 50 50 LEU CD2 C 13 25.028 0.3 . 1 . . . . 50 LEU CD2 . 18488 1 465 . 1 1 50 50 LEU N N 15 124.370 0.3 . 1 . . . . 50 LEU N . 18488 1 466 . 1 1 51 51 GLU H H 1 8.356 0.020 . 1 . . . . 51 GLU H . 18488 1 467 . 1 1 51 51 GLU HA H 1 4.107 0.020 . 1 . . . . 51 GLU HA . 18488 1 468 . 1 1 51 51 GLU HB2 H 1 1.847 0.020 . 1 . . . . 51 GLU HB2 . 18488 1 469 . 1 1 51 51 GLU HB3 H 1 1.847 0.020 . 1 . . . . 51 GLU HB3 . 18488 1 470 . 1 1 51 51 GLU HG2 H 1 2.158 0.020 . 1 . . . . 51 GLU HG2 . 18488 1 471 . 1 1 51 51 GLU HG3 H 1 2.158 0.020 . 1 . . . . 51 GLU HG3 . 18488 1 472 . 1 1 51 51 GLU C C 13 177.377 0.3 . 1 . . . . 51 GLU C . 18488 1 473 . 1 1 51 51 GLU CA C 13 56.966 0.3 . 1 . . . . 51 GLU CA . 18488 1 474 . 1 1 51 51 GLU CB C 13 30.085 0.3 . 1 . . . . 51 GLU CB . 18488 1 475 . 1 1 51 51 GLU CG C 13 36.315 0.3 . 1 . . . . 51 GLU CG . 18488 1 476 . 1 1 51 51 GLU N N 15 121.442 0.3 . 1 . . . . 51 GLU N . 18488 1 477 . 1 1 52 52 GLN H H 1 8.220 0.020 . 1 . . . . 52 GLN H . 18488 1 478 . 1 1 52 52 GLN HA H 1 4.151 0.020 . 1 . . . . 52 GLN HA . 18488 1 479 . 1 1 52 52 GLN HB2 H 1 2.006 0.020 . 1 . . . . 52 GLN HB2 . 18488 1 480 . 1 1 52 52 GLN HB3 H 1 2.006 0.020 . 1 . . . . 52 GLN HB3 . 18488 1 481 . 1 1 52 52 GLN HG2 H 1 2.279 0.020 . 1 . . . . 52 GLN HG2 . 18488 1 482 . 1 1 52 52 GLN HG3 H 1 2.279 0.020 . 1 . . . . 52 GLN HG3 . 18488 1 483 . 1 1 52 52 GLN C C 13 176.158 0.3 . 1 . . . . 52 GLN C . 18488 1 484 . 1 1 52 52 GLN CA C 13 56.317 0.3 . 1 . . . . 52 GLN CA . 18488 1 485 . 1 1 52 52 GLN CB C 13 29.359 0.3 . 1 . . . . 52 GLN CB . 18488 1 486 . 1 1 52 52 GLN CG C 13 33.947 0.3 . 1 . . . . 52 GLN CG . 18488 1 487 . 1 1 52 52 GLN N N 15 121.063 0.3 . 1 . . . . 52 GLN N . 18488 1 488 . 1 1 53 53 ALA H H 1 8.203 0.020 . 1 . . . . 53 ALA H . 18488 1 489 . 1 1 53 53 ALA HA H 1 4.126 0.020 . 1 . . . . 53 ALA HA . 18488 1 490 . 1 1 53 53 ALA HB1 H 1 1.334 0.020 . 1 . . . . 53 ALA HB . 18488 1 491 . 1 1 53 53 ALA HB2 H 1 1.334 0.020 . 1 . . . . 53 ALA HB . 18488 1 492 . 1 1 53 53 ALA HB3 H 1 1.334 0.020 . 1 . . . . 53 ALA HB . 18488 1 493 . 1 1 53 53 ALA C C 13 178.697 0.3 . 1 . . . . 53 ALA C . 18488 1 494 . 1 1 53 53 ALA CA C 13 52.951 0.3 . 1 . . . . 53 ALA CA . 18488 1 495 . 1 1 53 53 ALA CB C 13 18.976 0.3 . 1 . . . . 53 ALA CB . 18488 1 496 . 1 1 53 53 ALA N N 15 124.842 0.3 . 1 . . . . 53 ALA N . 18488 1 497 . 1 1 54 54 GLU H H 1 8.256 0.020 . 1 . . . . 54 GLU H . 18488 1 498 . 1 1 54 54 GLU HA H 1 4.101 0.020 . 1 . . . . 54 GLU HA . 18488 1 499 . 1 1 54 54 GLU HB2 H 1 1.925 0.020 . 1 . . . . 54 GLU HB2 . 18488 1 500 . 1 1 54 54 GLU HB3 H 1 1.925 0.020 . 1 . . . . 54 GLU HB3 . 18488 1 501 . 1 1 54 54 GLU HG2 H 1 2.158 0.020 . 1 . . . . 54 GLU HG2 . 18488 1 502 . 1 1 54 54 GLU HG3 H 1 2.158 0.020 . 1 . . . . 54 GLU HG3 . 18488 1 503 . 1 1 54 54 GLU C C 13 177.323 0.3 . 1 . . . . 54 GLU C . 18488 1 504 . 1 1 54 54 GLU CA C 13 56.934 0.3 . 1 . . . . 54 GLU CA . 18488 1 505 . 1 1 54 54 GLU CB C 13 30.075 0.3 . 1 . . . . 54 GLU CB . 18488 1 506 . 1 1 54 54 GLU CG C 13 36.262 0.3 . 1 . . . . 54 GLU CG . 18488 1 507 . 1 1 54 54 GLU N N 15 119.775 0.3 . 1 . . . . 54 GLU N . 18488 1 508 . 1 1 55 55 ALA H H 1 8.106 0.020 . 1 . . . . 55 ALA H . 18488 1 509 . 1 1 55 55 ALA HA H 1 4.125 0.020 . 1 . . . . 55 ALA HA . 18488 1 510 . 1 1 55 55 ALA HB1 H 1 1.316 0.020 . 1 . . . . 55 ALA HB . 18488 1 511 . 1 1 55 55 ALA HB2 H 1 1.316 0.020 . 1 . . . . 55 ALA HB . 18488 1 512 . 1 1 55 55 ALA HB3 H 1 1.316 0.020 . 1 . . . . 55 ALA HB . 18488 1 513 . 1 1 55 55 ALA C C 13 178.515 0.3 . 1 . . . . 55 ALA C . 18488 1 514 . 1 1 55 55 ALA CA C 13 52.993 0.3 . 1 . . . . 55 ALA CA . 18488 1 515 . 1 1 55 55 ALA CB C 13 19.057 0.3 . 1 . . . . 55 ALA CB . 18488 1 516 . 1 1 55 55 ALA N N 15 124.537 0.3 . 1 . . . . 55 ALA N . 18488 1 517 . 1 1 56 56 ALA H H 1 8.041 0.020 . 1 . . . . 56 ALA H . 18488 1 518 . 1 1 56 56 ALA HA H 1 4.128 0.020 . 1 . . . . 56 ALA HA . 18488 1 519 . 1 1 56 56 ALA HB1 H 1 1.352 0.020 . 1 . . . . 56 ALA HB . 18488 1 520 . 1 1 56 56 ALA HB2 H 1 1.352 0.020 . 1 . . . . 56 ALA HB . 18488 1 521 . 1 1 56 56 ALA HB3 H 1 1.352 0.020 . 1 . . . . 56 ALA HB . 18488 1 522 . 1 1 56 56 ALA C C 13 178.326 0.3 . 1 . . . . 56 ALA C . 18488 1 523 . 1 1 56 56 ALA CA C 13 53.016 0.3 . 1 . . . . 56 ALA CA . 18488 1 524 . 1 1 56 56 ALA CB C 13 19.049 0.3 . 1 . . . . 56 ALA CB . 18488 1 525 . 1 1 56 56 ALA N N 15 122.552 0.3 . 1 . . . . 56 ALA N . 18488 1 526 . 1 1 57 57 ALA C C 13 178.982 0.3 . 1 . . . . 57 ALA C . 18488 1 527 . 1 1 57 57 ALA CA C 13 53.051 0.3 . 1 . . . . 57 ALA CA . 18488 1 528 . 1 1 57 57 ALA CB C 13 18.827 0.3 . 1 . . . . 57 ALA CB . 18488 1 529 . 1 1 58 58 SER H H 1 8.028 0.020 . 1 . . . . 58 SER H . 18488 1 530 . 1 1 58 58 SER HA H 1 4.269 0.020 . 1 . . . . 58 SER HA . 18488 1 531 . 1 1 58 58 SER HB2 H 1 3.772 0.020 . 1 . . . . 58 SER HB2 . 18488 1 532 . 1 1 58 58 SER HB3 H 1 3.772 0.020 . 1 . . . . 58 SER HB3 . 18488 1 533 . 1 1 58 58 SER C C 13 175.047 0.3 . 1 . . . . 58 SER C . 18488 1 534 . 1 1 58 58 SER CA C 13 58.607 0.3 . 1 . . . . 58 SER CA . 18488 1 535 . 1 1 58 58 SER CB C 13 63.845 0.3 . 1 . . . . 58 SER CB . 18488 1 536 . 1 1 58 58 SER N N 15 114.288 0.3 . 1 . . . . 58 SER N . 18488 1 537 . 1 1 59 59 ALA H H 1 8.142 0.020 . 1 . . . . 59 ALA H . 18488 1 538 . 1 1 59 59 ALA HA H 1 4.203 0.020 . 1 . . . . 59 ALA HA . 18488 1 539 . 1 1 59 59 ALA HB1 H 1 1.279 0.020 . 1 . . . . 59 ALA HB . 18488 1 540 . 1 1 59 59 ALA HB2 H 1 1.279 0.020 . 1 . . . . 59 ALA HB . 18488 1 541 . 1 1 59 59 ALA HB3 H 1 1.279 0.020 . 1 . . . . 59 ALA HB . 18488 1 542 . 1 1 59 59 ALA C C 13 178.402 0.3 . 1 . . . . 59 ALA C . 18488 1 543 . 1 1 59 59 ALA CA C 13 52.758 0.3 . 1 . . . . 59 ALA CA . 18488 1 544 . 1 1 59 59 ALA CB C 13 19.176 0.3 . 1 . . . . 59 ALA CB . 18488 1 545 . 1 1 59 59 ALA N N 15 125.393 0.3 . 1 . . . . 59 ALA N . 18488 1 546 . 1 1 60 60 GLY H H 1 8.174 0.020 . 1 . . . . 60 GLY H . 18488 1 547 . 1 1 60 60 GLY HA2 H 1 3.836 0.020 . 1 . . . . 60 GLY HA2 . 18488 1 548 . 1 1 60 60 GLY HA3 H 1 3.836 0.020 . 1 . . . . 60 GLY HA3 . 18488 1 549 . 1 1 60 60 GLY C C 13 174.387 0.3 . 1 . . . . 60 GLY C . 18488 1 550 . 1 1 60 60 GLY CA C 13 45.299 0.3 . 1 . . . . 60 GLY CA . 18488 1 551 . 1 1 60 60 GLY N N 15 107.973 0.3 . 1 . . . . 60 GLY N . 18488 1 552 . 1 1 61 61 GLU H H 1 8.022 0.020 . 1 . . . . 61 GLU H . 18488 1 553 . 1 1 61 61 GLU HA H 1 4.195 0.020 . 1 . . . . 61 GLU HA . 18488 1 554 . 1 1 61 61 GLU HB2 H 1 1.808 0.020 . 1 . . . . 61 GLU HB2 . 18488 1 555 . 1 1 61 61 GLU HB3 H 1 1.808 0.020 . 1 . . . . 61 GLU HB3 . 18488 1 556 . 1 1 61 61 GLU HG2 H 1 2.140 0.020 . 1 . . . . 61 GLU HG2 . 18488 1 557 . 1 1 61 61 GLU HG3 H 1 2.140 0.020 . 1 . . . . 61 GLU HG3 . 18488 1 558 . 1 1 61 61 GLU C C 13 176.835 0.3 . 1 . . . . 61 GLU C . 18488 1 559 . 1 1 61 61 GLU CA C 13 56.276 0.3 . 1 . . . . 61 GLU CA . 18488 1 560 . 1 1 61 61 GLU CB C 13 30.520 0.3 . 1 . . . . 61 GLU CB . 18488 1 561 . 1 1 61 61 GLU CG C 13 36.208 0.3 . 1 . . . . 61 GLU CG . 18488 1 562 . 1 1 61 61 GLU N N 15 120.672 0.3 . 1 . . . . 61 GLU N . 18488 1 563 . 1 1 62 62 LEU H H 1 8.416 0.020 . 1 . . . . 62 LEU H . 18488 1 564 . 1 1 62 62 LEU HA H 1 4.409 0.020 . 1 . . . . 62 LEU HA . 18488 1 565 . 1 1 62 62 LEU HB2 H 1 1.489 0.020 . 1 . . . . 62 LEU HB2 . 18488 1 566 . 1 1 62 62 LEU HB3 H 1 1.489 0.020 . 1 . . . . 62 LEU HB3 . 18488 1 567 . 1 1 62 62 LEU HG H 1 1.419 0.020 . 1 . . . . 62 LEU HG . 18488 1 568 . 1 1 62 62 LEU HD11 H 1 0.309 0.020 . 1 . . . . 62 LEU HD1 . 18488 1 569 . 1 1 62 62 LEU HD12 H 1 0.309 0.020 . 1 . . . . 62 LEU HD1 . 18488 1 570 . 1 1 62 62 LEU HD13 H 1 0.309 0.020 . 1 . . . . 62 LEU HD1 . 18488 1 571 . 1 1 62 62 LEU HD21 H 1 0.447 0.020 . 1 . . . . 62 LEU HD2 . 18488 1 572 . 1 1 62 62 LEU HD22 H 1 0.447 0.020 . 1 . . . . 62 LEU HD2 . 18488 1 573 . 1 1 62 62 LEU HD23 H 1 0.447 0.020 . 1 . . . . 62 LEU HD2 . 18488 1 574 . 1 1 62 62 LEU C C 13 175.116 0.3 . 1 . . . . 62 LEU C . 18488 1 575 . 1 1 62 62 LEU CA C 13 52.737 0.3 . 1 . . . . 62 LEU CA . 18488 1 576 . 1 1 62 62 LEU CB C 13 41.761 0.3 . 1 . . . . 62 LEU CB . 18488 1 577 . 1 1 62 62 LEU CG C 13 26.631 0.3 . 1 . . . . 62 LEU CG . 18488 1 578 . 1 1 62 62 LEU CD1 C 13 24.660 0.3 . 1 . . . . 62 LEU CD1 . 18488 1 579 . 1 1 62 62 LEU CD2 C 13 23.221 0.3 . 1 . . . . 62 LEU CD2 . 18488 1 580 . 1 1 62 62 LEU N N 15 125.830 0.3 . 1 . . . . 62 LEU N . 18488 1 581 . 1 1 64 64 PRO C C 13 176.494 0.3 . 1 . . . . 64 PRO C . 18488 1 582 . 1 1 64 64 PRO CA C 13 61.843 0.3 . 1 . . . . 64 PRO CA . 18488 1 583 . 1 1 64 64 PRO CB C 13 31.734 0.3 . 1 . . . . 64 PRO CB . 18488 1 584 . 1 1 65 65 VAL H H 1 8.659 0.020 . 1 . . . . 65 VAL H . 18488 1 585 . 1 1 65 65 VAL HA H 1 3.939 0.020 . 1 . . . . 65 VAL HA . 18488 1 586 . 1 1 65 65 VAL HB H 1 1.631 0.020 . 1 . . . . 65 VAL HB . 18488 1 587 . 1 1 65 65 VAL HG11 H 1 0.705 0.020 . 1 . . . . 65 VAL HG1 . 18488 1 588 . 1 1 65 65 VAL HG12 H 1 0.705 0.020 . 1 . . . . 65 VAL HG1 . 18488 1 589 . 1 1 65 65 VAL HG13 H 1 0.705 0.020 . 1 . . . . 65 VAL HG1 . 18488 1 590 . 1 1 65 65 VAL HG21 H 1 0.705 0.020 . 1 . . . . 65 VAL HG2 . 18488 1 591 . 1 1 65 65 VAL HG22 H 1 0.705 0.020 . 1 . . . . 65 VAL HG2 . 18488 1 592 . 1 1 65 65 VAL HG23 H 1 0.705 0.020 . 1 . . . . 65 VAL HG2 . 18488 1 593 . 1 1 65 65 VAL C C 13 176.021 0.3 . 1 . . . . 65 VAL C . 18488 1 594 . 1 1 65 65 VAL CA C 13 61.594 0.3 . 1 . . . . 65 VAL CA . 18488 1 595 . 1 1 65 65 VAL CB C 13 33.884 0.3 . 1 . . . . 65 VAL CB . 18488 1 596 . 1 1 65 65 VAL CG1 C 13 22.741 0.3 . 1 . . . . 65 VAL CG1 . 18488 1 597 . 1 1 65 65 VAL CG2 C 13 22.741 0.3 . 1 . . . . 65 VAL CG2 . 18488 1 598 . 1 1 65 65 VAL N N 15 122.936 0.3 . 1 . . . . 65 VAL N . 18488 1 599 . 1 1 66 66 ASP H H 1 8.452 0.020 . 1 . . . . 66 ASP H . 18488 1 600 . 1 1 66 66 ASP HA H 1 5.122 0.020 . 1 . . . . 66 ASP HA . 18488 1 601 . 1 1 66 66 ASP HB2 H 1 2.598 0.020 . 2 . . . . 66 ASP HB2 . 18488 1 602 . 1 1 66 66 ASP HB3 H 1 2.539 0.020 . 2 . . . . 66 ASP HB3 . 18488 1 603 . 1 1 66 66 ASP C C 13 176.028 0.3 . 1 . . . . 66 ASP C . 18488 1 604 . 1 1 66 66 ASP CA C 13 54.956 0.3 . 1 . . . . 66 ASP CA . 18488 1 605 . 1 1 66 66 ASP CB C 13 41.132 0.3 . 1 . . . . 66 ASP CB . 18488 1 606 . 1 1 66 66 ASP N N 15 128.099 0.3 . 1 . . . . 66 ASP N . 18488 1 607 . 1 1 67 67 VAL CA C 13 58.162 0.3 . 1 . . . . 67 VAL CA . 18488 1 608 . 1 1 67 67 VAL CB C 13 35.544 0.3 . 1 . . . . 67 VAL CB . 18488 1 609 . 1 1 67 67 VAL CG1 C 13 21.573 0.3 . 1 . . . . 67 VAL CG1 . 18488 1 610 . 1 1 67 67 VAL CG2 C 13 21.573 0.3 . 1 . . . . 67 VAL CG2 . 18488 1 611 . 1 1 68 68 LEU H H 1 9.287 0.020 . 1 . . . . 68 LEU H . 18488 1 612 . 1 1 68 68 LEU HA H 1 5.179 0.020 . 1 . . . . 68 LEU HA . 18488 1 613 . 1 1 68 68 LEU HB2 H 1 1.159 0.020 . 1 . . . . 68 LEU HB2 . 18488 1 614 . 1 1 68 68 LEU HB3 H 1 1.159 0.020 . 1 . . . . 68 LEU HB3 . 18488 1 615 . 1 1 68 68 LEU HG H 1 1.264 0.020 . 1 . . . . 68 LEU HG . 18488 1 616 . 1 1 68 68 LEU C C 13 177.590 0.3 . 1 . . . . 68 LEU C . 18488 1 617 . 1 1 68 68 LEU CA C 13 53.286 0.3 . 1 . . . . 68 LEU CA . 18488 1 618 . 1 1 68 68 LEU CB C 13 43.571 0.3 . 1 . . . . 68 LEU CB . 18488 1 619 . 1 1 68 68 LEU CG C 13 25.729 0.3 . 1 . . . . 68 LEU CG . 18488 1 620 . 1 1 68 68 LEU N N 15 122.393 0.3 . 1 . . . . 68 LEU N . 18488 1 621 . 1 1 69 69 GLY H H 1 8.824 0.020 . 1 . . . . 69 GLY H . 18488 1 622 . 1 1 69 69 GLY HA2 H 1 4.870 0.020 . 1 . . . . 69 GLY HA2 . 18488 1 623 . 1 1 69 69 GLY HA3 H 1 4.870 0.020 . 1 . . . . 69 GLY HA3 . 18488 1 624 . 1 1 69 69 GLY C C 13 173.286 0.3 . 1 . . . . 69 GLY C . 18488 1 625 . 1 1 69 69 GLY CA C 13 45.059 0.3 . 1 . . . . 69 GLY CA . 18488 1 626 . 1 1 69 69 GLY N N 15 110.858 0.3 . 1 . . . . 69 GLY N . 18488 1 627 . 1 1 70 70 VAL H H 1 9.091 0.020 . 1 . . . . 70 VAL H . 18488 1 628 . 1 1 70 70 VAL HA H 1 4.386 0.020 . 1 . . . . 70 VAL HA . 18488 1 629 . 1 1 70 70 VAL HB H 1 1.856 0.020 . 1 . . . . 70 VAL HB . 18488 1 630 . 1 1 70 70 VAL HG11 H 1 0.827 0.020 . 1 . . . . 70 VAL HG1 . 18488 1 631 . 1 1 70 70 VAL HG12 H 1 0.827 0.020 . 1 . . . . 70 VAL HG1 . 18488 1 632 . 1 1 70 70 VAL HG13 H 1 0.827 0.020 . 1 . . . . 70 VAL HG1 . 18488 1 633 . 1 1 70 70 VAL HG21 H 1 0.827 0.020 . 1 . . . . 70 VAL HG2 . 18488 1 634 . 1 1 70 70 VAL HG22 H 1 0.827 0.020 . 1 . . . . 70 VAL HG2 . 18488 1 635 . 1 1 70 70 VAL HG23 H 1 0.827 0.020 . 1 . . . . 70 VAL HG2 . 18488 1 636 . 1 1 70 70 VAL C C 13 173.990 0.3 . 1 . . . . 70 VAL C . 18488 1 637 . 1 1 70 70 VAL CA C 13 60.150 0.3 . 1 . . . . 70 VAL CA . 18488 1 638 . 1 1 70 70 VAL CB C 13 34.465 0.3 . 1 . . . . 70 VAL CB . 18488 1 639 . 1 1 70 70 VAL CG1 C 13 20.860 0.3 . 1 . . . . 70 VAL CG1 . 18488 1 640 . 1 1 70 70 VAL CG2 C 13 20.860 0.3 . 1 . . . . 70 VAL CG2 . 18488 1 641 . 1 1 70 70 VAL N N 15 126.657 0.3 . 1 . . . . 70 VAL N . 18488 1 642 . 1 1 71 71 ARG H H 1 8.561 0.020 . 1 . . . . 71 ARG H . 18488 1 643 . 1 1 71 71 ARG HA H 1 4.828 0.020 . 1 . . . . 71 ARG HA . 18488 1 644 . 1 1 71 71 ARG HB2 H 1 1.844 0.020 . 2 . . . . 71 ARG HB2 . 18488 1 645 . 1 1 71 71 ARG HB3 H 1 1.758 0.020 . 2 . . . . 71 ARG HB3 . 18488 1 646 . 1 1 71 71 ARG HG2 H 1 1.380 0.020 . 1 . . . . 71 ARG HG2 . 18488 1 647 . 1 1 71 71 ARG HG3 H 1 1.380 0.020 . 1 . . . . 71 ARG HG3 . 18488 1 648 . 1 1 71 71 ARG HD2 H 1 3.083 0.020 . 1 . . . . 71 ARG HD2 . 18488 1 649 . 1 1 71 71 ARG HD3 H 1 3.083 0.020 . 1 . . . . 71 ARG HD3 . 18488 1 650 . 1 1 71 71 ARG C C 13 176.275 0.3 . 1 . . . . 71 ARG C . 18488 1 651 . 1 1 71 71 ARG CA C 13 55.301 0.3 . 1 . . . . 71 ARG CA . 18488 1 652 . 1 1 71 71 ARG CB C 13 30.220 0.3 . 1 . . . . 71 ARG CB . 18488 1 653 . 1 1 71 71 ARG CG C 13 26.871 0.3 . 1 . . . . 71 ARG CG . 18488 1 654 . 1 1 71 71 ARG CD C 13 43.206 0.3 . 1 . . . . 71 ARG CD . 18488 1 655 . 1 1 71 71 ARG N N 15 128.743 0.3 . 1 . . . . 71 ARG N . 18488 1 656 . 1 1 72 72 VAL H H 1 8.679 0.020 . 1 . . . . 72 VAL H . 18488 1 657 . 1 1 72 72 VAL HA H 1 4.166 0.020 . 1 . . . . 72 VAL HA . 18488 1 658 . 1 1 72 72 VAL HB H 1 1.865 0.020 . 1 . . . . 72 VAL HB . 18488 1 659 . 1 1 72 72 VAL HG21 H 1 0.823 0.020 . 1 . . . . 72 VAL HG2 . 18488 1 660 . 1 1 72 72 VAL HG22 H 1 0.823 0.020 . 1 . . . . 72 VAL HG2 . 18488 1 661 . 1 1 72 72 VAL HG23 H 1 0.823 0.020 . 1 . . . . 72 VAL HG2 . 18488 1 662 . 1 1 72 72 VAL C C 13 175.873 0.3 . 1 . . . . 72 VAL C . 18488 1 663 . 1 1 72 72 VAL CA C 13 61.876 0.3 . 1 . . . . 72 VAL CA . 18488 1 664 . 1 1 72 72 VAL CB C 13 34.464 0.3 . 1 . . . . 72 VAL CB . 18488 1 665 . 1 1 72 72 VAL CG2 C 13 21.147 0.3 . 1 . . . . 72 VAL CG2 . 18488 1 666 . 1 1 72 72 VAL N N 15 125.889 0.3 . 1 . . . . 72 VAL N . 18488 1 667 . 1 1 73 73 LYS H H 1 9.240 0.020 . 1 . . . . 73 LYS H . 18488 1 668 . 1 1 73 73 LYS HA H 1 3.754 0.020 . 1 . . . . 73 LYS HA . 18488 1 669 . 1 1 73 73 LYS C C 13 177.294 0.3 . 1 . . . . 73 LYS C . 18488 1 670 . 1 1 73 73 LYS CA C 13 56.914 0.3 . 1 . . . . 73 LYS CA . 18488 1 671 . 1 1 73 73 LYS CB C 13 29.873 0.3 . 1 . . . . 73 LYS CB . 18488 1 672 . 1 1 73 73 LYS CG C 13 26.199 0.3 . 1 . . . . 73 LYS CG . 18488 1 673 . 1 1 73 73 LYS N N 15 126.365 0.3 . 1 . . . . 73 LYS N . 18488 1 674 . 1 1 74 74 GLY H H 1 8.497 0.020 . 1 . . . . 74 GLY H . 18488 1 675 . 1 1 74 74 GLY HA2 H 1 3.954 0.020 . 2 . . . . 74 GLY HA2 . 18488 1 676 . 1 1 74 74 GLY HA3 H 1 3.551 0.020 . 2 . . . . 74 GLY HA3 . 18488 1 677 . 1 1 74 74 GLY C C 13 174.072 0.3 . 1 . . . . 74 GLY C . 18488 1 678 . 1 1 74 74 GLY CA C 13 45.755 0.3 . 1 . . . . 74 GLY CA . 18488 1 679 . 1 1 74 74 GLY N N 15 106.087 0.3 . 1 . . . . 74 GLY N . 18488 1 680 . 1 1 75 75 GLN H H 1 7.791 0.020 . 1 . . . . 75 GLN H . 18488 1 681 . 1 1 75 75 GLN HA H 1 4.527 0.020 . 1 . . . . 75 GLN HA . 18488 1 682 . 1 1 75 75 GLN HB2 H 1 1.592 0.020 . 1 . . . . 75 GLN HB2 . 18488 1 683 . 1 1 75 75 GLN HB3 H 1 1.592 0.020 . 1 . . . . 75 GLN HB3 . 18488 1 684 . 1 1 75 75 GLN HG2 H 1 1.708 0.020 . 2 . . . . 75 GLN HG2 . 18488 1 685 . 1 1 75 75 GLN HG3 H 1 1.631 0.020 . 2 . . . . 75 GLN HG3 . 18488 1 686 . 1 1 75 75 GLN C C 13 174.831 0.3 . 1 . . . . 75 GLN C . 18488 1 687 . 1 1 75 75 GLN CA C 13 54.152 0.3 . 1 . . . . 75 GLN CA . 18488 1 688 . 1 1 75 75 GLN CB C 13 29.539 0.3 . 1 . . . . 75 GLN CB . 18488 1 689 . 1 1 75 75 GLN CG C 13 32.670 0.3 . 1 . . . . 75 GLN CG . 18488 1 690 . 1 1 75 75 GLN N N 15 119.601 0.3 . 1 . . . . 75 GLN N . 18488 1 691 . 1 1 76 76 THR H H 1 8.430 0.020 . 1 . . . . 76 THR H . 18488 1 692 . 1 1 76 76 THR HA H 1 4.467 0.020 . 1 . . . . 76 THR HA . 18488 1 693 . 1 1 76 76 THR HB H 1 3.639 0.020 . 1 . . . . 76 THR HB . 18488 1 694 . 1 1 76 76 THR HG21 H 1 0.405 0.020 . 1 . . . . 76 THR HG2 . 18488 1 695 . 1 1 76 76 THR HG22 H 1 0.405 0.020 . 1 . . . . 76 THR HG2 . 18488 1 696 . 1 1 76 76 THR HG23 H 1 0.405 0.020 . 1 . . . . 76 THR HG2 . 18488 1 697 . 1 1 76 76 THR C C 13 173.015 0.3 . 1 . . . . 76 THR C . 18488 1 698 . 1 1 76 76 THR CA C 13 63.068 0.3 . 1 . . . . 76 THR CA . 18488 1 699 . 1 1 76 76 THR CB C 13 68.475 0.3 . 1 . . . . 76 THR CB . 18488 1 700 . 1 1 76 76 THR CG2 C 13 21.587 0.3 . 1 . . . . 76 THR CG2 . 18488 1 701 . 1 1 76 76 THR N N 15 119.644 0.3 . 1 . . . . 76 THR N . 18488 1 702 . 1 1 77 77 LEU H H 1 8.935 0.020 . 1 . . . . 77 LEU H . 18488 1 703 . 1 1 77 77 LEU HA H 1 4.310 0.020 . 1 . . . . 77 LEU HA . 18488 1 704 . 1 1 77 77 LEU HB2 H 1 1.163 0.020 . 1 . . . . 77 LEU HB2 . 18488 1 705 . 1 1 77 77 LEU HB3 H 1 1.163 0.020 . 1 . . . . 77 LEU HB3 . 18488 1 706 . 1 1 77 77 LEU HG H 1 1.483 0.020 . 1 . . . . 77 LEU HG . 18488 1 707 . 1 1 77 77 LEU HD11 H 1 0.825 0.020 . 1 . . . . 77 LEU HD1 . 18488 1 708 . 1 1 77 77 LEU HD12 H 1 0.825 0.020 . 1 . . . . 77 LEU HD1 . 18488 1 709 . 1 1 77 77 LEU HD13 H 1 0.825 0.020 . 1 . . . . 77 LEU HD1 . 18488 1 710 . 1 1 77 77 LEU HD21 H 1 0.644 0.020 . 1 . . . . 77 LEU HD2 . 18488 1 711 . 1 1 77 77 LEU HD22 H 1 0.644 0.020 . 1 . . . . 77 LEU HD2 . 18488 1 712 . 1 1 77 77 LEU HD23 H 1 0.644 0.020 . 1 . . . . 77 LEU HD2 . 18488 1 713 . 1 1 77 77 LEU C C 13 175.393 0.3 . 1 . . . . 77 LEU C . 18488 1 714 . 1 1 77 77 LEU CA C 13 52.869 0.3 . 1 . . . . 77 LEU CA . 18488 1 715 . 1 1 77 77 LEU CB C 13 43.843 0.3 . 1 . . . . 77 LEU CB . 18488 1 716 . 1 1 77 77 LEU CG C 13 27.076 0.3 . 1 . . . . 77 LEU CG . 18488 1 717 . 1 1 77 77 LEU CD1 C 13 25.412 0.3 . 1 . . . . 77 LEU CD1 . 18488 1 718 . 1 1 77 77 LEU CD2 C 13 23.109 0.3 . 1 . . . . 77 LEU CD2 . 18488 1 719 . 1 1 77 77 LEU N N 15 128.661 0.3 . 1 . . . . 77 LEU N . 18488 1 720 . 1 1 78 78 TYR H H 1 8.443 0.020 . 1 . . . . 78 TYR H . 18488 1 721 . 1 1 78 78 TYR HA H 1 5.499 0.020 . 1 . . . . 78 TYR HA . 18488 1 722 . 1 1 78 78 TYR HB2 H 1 2.691 0.020 . 1 . . . . 78 TYR HB2 . 18488 1 723 . 1 1 78 78 TYR HB3 H 1 2.691 0.020 . 1 . . . . 78 TYR HB3 . 18488 1 724 . 1 1 78 78 TYR C C 13 175.349 0.3 . 1 . . . . 78 TYR C . 18488 1 725 . 1 1 78 78 TYR CA C 13 56.753 0.3 . 1 . . . . 78 TYR CA . 18488 1 726 . 1 1 78 78 TYR CB C 13 40.735 0.3 . 1 . . . . 78 TYR CB . 18488 1 727 . 1 1 78 78 TYR N N 15 118.520 0.3 . 1 . . . . 78 TYR N . 18488 1 728 . 1 1 79 79 TYR H H 1 9.102 0.020 . 1 . . . . 79 TYR H . 18488 1 729 . 1 1 79 79 TYR HA H 1 4.183 0.020 . 1 . . . . 79 TYR HA . 18488 1 730 . 1 1 79 79 TYR HB2 H 1 2.574 0.020 . 1 . . . . 79 TYR HB2 . 18488 1 731 . 1 1 79 79 TYR HB3 H 1 2.574 0.020 . 1 . . . . 79 TYR HB3 . 18488 1 732 . 1 1 79 79 TYR C C 13 176.131 0.3 . 1 . . . . 79 TYR C . 18488 1 733 . 1 1 79 79 TYR CA C 13 56.178 0.3 . 1 . . . . 79 TYR CA . 18488 1 734 . 1 1 79 79 TYR CB C 13 40.899 0.3 . 1 . . . . 79 TYR CB . 18488 1 735 . 1 1 79 79 TYR N N 15 120.910 0.3 . 1 . . . . 79 TYR N . 18488 1 736 . 1 1 80 80 ALA H H 1 7.956 0.020 . 1 . . . . 80 ALA H . 18488 1 737 . 1 1 80 80 ALA HA H 1 4.150 0.020 . 1 . . . . 80 ALA HA . 18488 1 738 . 1 1 80 80 ALA HB1 H 1 1.296 0.020 . 1 . . . . 80 ALA HB . 18488 1 739 . 1 1 80 80 ALA HB2 H 1 1.296 0.020 . 1 . . . . 80 ALA HB . 18488 1 740 . 1 1 80 80 ALA HB3 H 1 1.296 0.020 . 1 . . . . 80 ALA HB . 18488 1 741 . 1 1 80 80 ALA C C 13 179.025 0.3 . 1 . . . . 80 ALA C . 18488 1 742 . 1 1 80 80 ALA CA C 13 53.218 0.3 . 1 . . . . 80 ALA CA . 18488 1 743 . 1 1 80 80 ALA CB C 13 18.711 0.3 . 1 . . . . 80 ALA CB . 18488 1 744 . 1 1 80 80 ALA N N 15 123.182 0.3 . 1 . . . . 80 ALA N . 18488 1 745 . 1 1 81 81 PHE H H 1 8.099 0.020 . 1 . . . . 81 PHE H . 18488 1 746 . 1 1 81 81 PHE HA H 1 4.268 0.020 . 1 . . . . 81 PHE HA . 18488 1 747 . 1 1 81 81 PHE HB2 H 1 2.527 0.020 . 2 . . . . 81 PHE HB2 . 18488 1 748 . 1 1 81 81 PHE HB3 H 1 2.423 0.020 . 2 . . . . 81 PHE HB3 . 18488 1 749 . 1 1 81 81 PHE C C 13 177.621 0.3 . 1 . . . . 81 PHE C . 18488 1 750 . 1 1 81 81 PHE CA C 13 56.442 0.3 . 1 . . . . 81 PHE CA . 18488 1 751 . 1 1 81 81 PHE CB C 13 32.261 0.3 . 1 . . . . 81 PHE CB . 18488 1 752 . 1 1 81 81 PHE N N 15 118.287 0.3 . 1 . . . . 81 PHE N . 18488 1 753 . 1 1 82 82 GLY H H 1 8.205 0.020 . 1 . . . . 82 GLY H . 18488 1 754 . 1 1 82 82 GLY HA2 H 1 3.849 0.020 . 1 . . . . 82 GLY HA2 . 18488 1 755 . 1 1 82 82 GLY HA3 H 1 3.849 0.020 . 1 . . . . 82 GLY HA3 . 18488 1 756 . 1 1 82 82 GLY C C 13 174.158 0.3 . 1 . . . . 82 GLY C . 18488 1 757 . 1 1 82 82 GLY CA C 13 45.508 0.3 . 1 . . . . 82 GLY CA . 18488 1 758 . 1 1 82 82 GLY N N 15 109.230 0.3 . 1 . . . . 82 GLY N . 18488 1 759 . 1 1 83 83 GLY H H 1 8.472 0.020 . 1 . . . . 83 GLY H . 18488 1 760 . 1 1 83 83 GLY C C 13 177.408 0.3 . 1 . . . . 83 GLY C . 18488 1 761 . 1 1 83 83 GLY N N 15 109.230 0.3 . 1 . . . . 83 GLY N . 18488 1 762 . 1 1 87 87 LEU C C 13 175.379 0.3 . 1 . . . . 87 LEU C . 18488 1 763 . 1 1 87 87 LEU CA C 13 52.653 0.3 . 1 . . . . 87 LEU CA . 18488 1 764 . 1 1 87 87 LEU CB C 13 43.730 0.3 . 1 . . . . 87 LEU CB . 18488 1 765 . 1 1 88 88 GLN H H 1 7.915 0.020 . 1 . . . . 88 GLN H . 18488 1 766 . 1 1 88 88 GLN C C 13 179.043 0.3 . 1 . . . . 88 GLN C . 18488 1 767 . 1 1 88 88 GLN CA C 13 58.863 0.3 . 1 . . . . 88 GLN CA . 18488 1 768 . 1 1 88 88 GLN CB C 13 27.506 0.3 . 1 . . . . 88 GLN CB . 18488 1 769 . 1 1 88 88 GLN CG C 13 29.967 0.3 . 1 . . . . 88 GLN CG . 18488 1 770 . 1 1 88 88 GLN N N 15 118.236 0.3 . 1 . . . . 88 GLN N . 18488 1 771 . 1 1 89 89 ALA H H 1 7.801 0.020 . 1 . . . . 89 ALA H . 18488 1 772 . 1 1 89 89 ALA HA H 1 3.973 0.020 . 1 . . . . 89 ALA HA . 18488 1 773 . 1 1 89 89 ALA HB1 H 1 1.258 0.020 . 1 . . . . 89 ALA HB . 18488 1 774 . 1 1 89 89 ALA HB2 H 1 1.258 0.020 . 1 . . . . 89 ALA HB . 18488 1 775 . 1 1 89 89 ALA HB3 H 1 1.258 0.020 . 1 . . . . 89 ALA HB . 18488 1 776 . 1 1 89 89 ALA C C 13 181.144 0.3 . 1 . . . . 89 ALA C . 18488 1 777 . 1 1 89 89 ALA CA C 13 55.186 0.3 . 1 . . . . 89 ALA CA . 18488 1 778 . 1 1 89 89 ALA CB C 13 18.428 0.3 . 1 . . . . 89 ALA CB . 18488 1 779 . 1 1 89 89 ALA N N 15 121.848 0.3 . 1 . . . . 89 ALA N . 18488 1 780 . 1 1 90 90 TYR H H 1 7.374 0.020 . 1 . . . . 90 TYR H . 18488 1 781 . 1 1 90 90 TYR HA H 1 3.718 0.020 . 1 . . . . 90 TYR HA . 18488 1 782 . 1 1 90 90 TYR HB2 H 1 2.999 0.020 . 2 . . . . 90 TYR HB2 . 18488 1 783 . 1 1 90 90 TYR HB3 H 1 2.777 0.020 . 2 . . . . 90 TYR HB3 . 18488 1 784 . 1 1 90 90 TYR C C 13 177.784 0.3 . 1 . . . . 90 TYR C . 18488 1 785 . 1 1 90 90 TYR CA C 13 62.162 0.3 . 1 . . . . 90 TYR CA . 18488 1 786 . 1 1 90 90 TYR CB C 13 38.316 0.3 . 1 . . . . 90 TYR CB . 18488 1 787 . 1 1 90 90 TYR N N 15 117.710 0.3 . 1 . . . . 90 TYR N . 18488 1 788 . 1 1 91 91 ASP H H 1 8.487 0.020 . 1 . . . . 91 ASP H . 18488 1 789 . 1 1 91 91 ASP C C 13 179.870 0.3 . 1 . . . . 91 ASP C . 18488 1 790 . 1 1 91 91 ASP CA C 13 57.744 0.3 . 1 . . . . 91 ASP CA . 18488 1 791 . 1 1 91 91 ASP CB C 13 40.108 0.3 . 1 . . . . 91 ASP CB . 18488 1 792 . 1 1 91 91 ASP N N 15 120.759 0.3 . 1 . . . . 91 ASP N . 18488 1 793 . 1 1 92 92 ARG H H 1 7.658 0.020 . 1 . . . . 92 ARG H . 18488 1 794 . 1 1 92 92 ARG HA H 1 3.843 0.020 . 1 . . . . 92 ARG HA . 18488 1 795 . 1 1 92 92 ARG HB2 H 1 1.756 0.020 . 1 . . . . 92 ARG HB2 . 18488 1 796 . 1 1 92 92 ARG HB3 H 1 1.756 0.020 . 1 . . . . 92 ARG HB3 . 18488 1 797 . 1 1 92 92 ARG HG2 H 1 1.587 0.020 . 1 . . . . 92 ARG HG2 . 18488 1 798 . 1 1 92 92 ARG HG3 H 1 1.587 0.020 . 1 . . . . 92 ARG HG3 . 18488 1 799 . 1 1 92 92 ARG HD2 H 1 3.073 0.020 . 1 . . . . 92 ARG HD2 . 18488 1 800 . 1 1 92 92 ARG HD3 H 1 3.073 0.020 . 1 . . . . 92 ARG HD3 . 18488 1 801 . 1 1 92 92 ARG C C 13 178.922 0.3 . 1 . . . . 92 ARG C . 18488 1 802 . 1 1 92 92 ARG CA C 13 59.582 0.3 . 1 . . . . 92 ARG CA . 18488 1 803 . 1 1 92 92 ARG CB C 13 29.892 0.3 . 1 . . . . 92 ARG CB . 18488 1 804 . 1 1 92 92 ARG CG C 13 27.375 0.3 . 1 . . . . 92 ARG CG . 18488 1 805 . 1 1 92 92 ARG CD C 13 43.420 0.3 . 1 . . . . 92 ARG CD . 18488 1 806 . 1 1 92 92 ARG N N 15 119.032 0.3 . 1 . . . . 92 ARG N . 18488 1 807 . 1 1 93 93 ARG C C 13 180.060 0.3 . 1 . . . . 93 ARG C . 18488 1 808 . 1 1 93 93 ARG CA C 13 57.813 0.3 . 1 . . . . 93 ARG CA . 18488 1 809 . 1 1 93 93 ARG CB C 13 27.660 0.3 . 1 . . . . 93 ARG CB . 18488 1 810 . 1 1 93 93 ARG CG C 13 26.180 0.3 . 1 . . . . 93 ARG CG . 18488 1 811 . 1 1 93 93 ARG CD C 13 41.957 0.3 . 1 . . . . 93 ARG CD . 18488 1 812 . 1 1 93 93 ARG N N 15 119.167 0.3 . 1 . . . . 93 ARG N . 18488 1 813 . 1 1 94 94 ALA H H 1 8.495 0.020 . 1 . . . . 94 ALA H . 18488 1 814 . 1 1 94 94 ALA HA H 1 3.815 0.020 . 1 . . . . 94 ALA HA . 18488 1 815 . 1 1 94 94 ALA HB1 H 1 1.352 0.020 . 1 . . . . 94 ALA HB . 18488 1 816 . 1 1 94 94 ALA HB2 H 1 1.352 0.020 . 1 . . . . 94 ALA HB . 18488 1 817 . 1 1 94 94 ALA HB3 H 1 1.352 0.020 . 1 . . . . 94 ALA HB . 18488 1 818 . 1 1 94 94 ALA C C 13 180.765 0.3 . 1 . . . . 94 ALA C . 18488 1 819 . 1 1 94 94 ALA CA C 13 55.318 0.3 . 1 . . . . 94 ALA CA . 18488 1 820 . 1 1 94 94 ALA CB C 13 19.380 0.3 . 1 . . . . 94 ALA CB . 18488 1 821 . 1 1 94 94 ALA N N 15 124.222 0.3 . 1 . . . . 94 ALA N . 18488 1 822 . 1 1 95 95 ARG C C 13 180.575 0.3 . 1 . . . . 95 ARG C . 18488 1 823 . 1 1 95 95 ARG CA C 13 58.919 0.3 . 1 . . . . 95 ARG CA . 18488 1 824 . 1 1 95 95 ARG CB C 13 29.112 0.3 . 1 . . . . 95 ARG CB . 18488 1 825 . 1 1 95 95 ARG CG C 13 27.332 0.3 . 1 . . . . 95 ARG CG . 18488 1 826 . 1 1 95 95 ARG CD C 13 43.458 0.3 . 1 . . . . 95 ARG CD . 18488 1 827 . 1 1 95 95 ARG N N 15 118.560 0.3 . 1 . . . . 95 ARG N . 18488 1 828 . 1 1 96 96 GLU H H 1 8.331 0.020 . 1 . . . . 96 GLU H . 18488 1 829 . 1 1 96 96 GLU HA H 1 3.935 0.020 . 1 . . . . 96 GLU HA . 18488 1 830 . 1 1 96 96 GLU HB2 H 1 1.746 0.020 . 1 . . . . 96 GLU HB2 . 18488 1 831 . 1 1 96 96 GLU HB3 H 1 1.746 0.020 . 1 . . . . 96 GLU HB3 . 18488 1 832 . 1 1 96 96 GLU HG2 H 1 2.387 0.020 . 2 . . . . 96 GLU HG2 . 18488 1 833 . 1 1 96 96 GLU HG3 H 1 2.209 0.020 . 2 . . . . 96 GLU HG3 . 18488 1 834 . 1 1 96 96 GLU C C 13 179.166 0.3 . 1 . . . . 96 GLU C . 18488 1 835 . 1 1 96 96 GLU CA C 13 59.357 0.3 . 1 . . . . 96 GLU CA . 18488 1 836 . 1 1 96 96 GLU CB C 13 29.903 0.3 . 1 . . . . 96 GLU CB . 18488 1 837 . 1 1 96 96 GLU CG C 13 36.434 0.3 . 1 . . . . 96 GLU CG . 18488 1 838 . 1 1 96 96 GLU N N 15 119.800 0.3 . 1 . . . . 96 GLU N . 18488 1 839 . 1 1 97 97 THR H H 1 7.742 0.020 . 1 . . . . 97 THR H . 18488 1 840 . 1 1 97 97 THR HA H 1 4.309 0.020 . 1 . . . . 97 THR HA . 18488 1 841 . 1 1 97 97 THR HB H 1 4.117 0.020 . 1 . . . . 97 THR HB . 18488 1 842 . 1 1 97 97 THR HG21 H 1 0.989 0.020 . 1 . . . . 97 THR HG2 . 18488 1 843 . 1 1 97 97 THR HG22 H 1 0.989 0.020 . 1 . . . . 97 THR HG2 . 18488 1 844 . 1 1 97 97 THR HG23 H 1 0.989 0.020 . 1 . . . . 97 THR HG2 . 18488 1 845 . 1 1 97 97 THR C C 13 174.556 0.3 . 1 . . . . 97 THR C . 18488 1 846 . 1 1 97 97 THR CA C 13 61.726 0.3 . 1 . . . . 97 THR CA . 18488 1 847 . 1 1 97 97 THR CB C 13 70.159 0.3 . 1 . . . . 97 THR CB . 18488 1 848 . 1 1 97 97 THR CG2 C 13 21.478 0.3 . 1 . . . . 97 THR CG2 . 18488 1 849 . 1 1 97 97 THR N N 15 105.760 0.3 . 1 . . . . 97 THR N . 18488 1 850 . 1 1 98 98 GLN H H 1 7.518 0.020 . 1 . . . . 98 GLN H . 18488 1 851 . 1 1 98 98 GLN HA H 1 3.757 0.020 . 1 . . . . 98 GLN HA . 18488 1 852 . 1 1 98 98 GLN HB2 H 1 1.348 0.020 . 1 . . . . 98 GLN HB2 . 18488 1 853 . 1 1 98 98 GLN HB3 H 1 1.348 0.020 . 1 . . . . 98 GLN HB3 . 18488 1 854 . 1 1 98 98 GLN HG2 H 1 1.890 0.020 . 1 . . . . 98 GLN HG2 . 18488 1 855 . 1 1 98 98 GLN HG3 H 1 1.890 0.020 . 1 . . . . 98 GLN HG3 . 18488 1 856 . 1 1 98 98 GLN C C 13 174.803 0.3 . 1 . . . . 98 GLN C . 18488 1 857 . 1 1 98 98 GLN CA C 13 57.569 0.3 . 1 . . . . 98 GLN CA . 18488 1 858 . 1 1 98 98 GLN CB C 13 25.506 0.3 . 1 . . . . 98 GLN CB . 18488 1 859 . 1 1 98 98 GLN CG C 13 30.460 0.3 . 1 . . . . 98 GLN CG . 18488 1 860 . 1 1 98 98 GLN N N 15 118.495 0.3 . 1 . . . . 98 GLN N . 18488 1 861 . 1 1 99 99 ASN H H 1 8.191 0.020 . 1 . . . . 99 ASN H . 18488 1 862 . 1 1 99 99 ASN HA H 1 4.957 0.020 . 1 . . . . 99 ASN HA . 18488 1 863 . 1 1 99 99 ASN HB2 H 1 3.161 0.020 . 2 . . . . 99 ASN HB2 . 18488 1 864 . 1 1 99 99 ASN HB3 H 1 2.712 0.020 . 2 . . . . 99 ASN HB3 . 18488 1 865 . 1 1 99 99 ASN C C 13 174.803 0.3 . 1 . . . . 99 ASN C . 18488 1 866 . 1 1 99 99 ASN CA C 13 51.018 0.3 . 1 . . . . 99 ASN CA . 18488 1 867 . 1 1 99 99 ASN CB C 13 38.993 0.3 . 1 . . . . 99 ASN CB . 18488 1 868 . 1 1 99 99 ASN N N 15 115.960 0.3 . 1 . . . . 99 ASN N . 18488 1 869 . 1 1 100 100 ALA H H 1 8.754 0.020 . 1 . . . . 100 ALA H . 18488 1 870 . 1 1 100 100 ALA HA H 1 4.035 0.020 . 1 . . . . 100 ALA HA . 18488 1 871 . 1 1 100 100 ALA HB1 H 1 1.336 0.020 . 1 . . . . 100 ALA HB . 18488 1 872 . 1 1 100 100 ALA HB2 H 1 1.336 0.020 . 1 . . . . 100 ALA HB . 18488 1 873 . 1 1 100 100 ALA HB3 H 1 1.336 0.020 . 1 . . . . 100 ALA HB . 18488 1 874 . 1 1 100 100 ALA C C 13 177.571 0.3 . 1 . . . . 100 ALA C . 18488 1 875 . 1 1 100 100 ALA CA C 13 53.992 0.3 . 1 . . . . 100 ALA CA . 18488 1 876 . 1 1 100 100 ALA CB C 13 18.387 0.3 . 1 . . . . 100 ALA CB . 18488 1 877 . 1 1 100 100 ALA N N 15 126.757 0.3 . 1 . . . . 100 ALA N . 18488 1 878 . 1 1 101 101 ALA H H 1 7.571 0.020 . 1 . . . . 101 ALA H . 18488 1 879 . 1 1 101 101 ALA HA H 1 4.410 0.020 . 1 . . . . 101 ALA HA . 18488 1 880 . 1 1 101 101 ALA HB1 H 1 1.289 0.020 . 1 . . . . 101 ALA HB . 18488 1 881 . 1 1 101 101 ALA HB2 H 1 1.289 0.020 . 1 . . . . 101 ALA HB . 18488 1 882 . 1 1 101 101 ALA HB3 H 1 1.289 0.020 . 1 . . . . 101 ALA HB . 18488 1 883 . 1 1 101 101 ALA C C 13 175.535 0.3 . 1 . . . . 101 ALA C . 18488 1 884 . 1 1 101 101 ALA CA C 13 50.312 0.3 . 1 . . . . 101 ALA CA . 18488 1 885 . 1 1 101 101 ALA CB C 13 17.727 0.3 . 1 . . . . 101 ALA CB . 18488 1 886 . 1 1 101 101 ALA N N 15 118.519 0.3 . 1 . . . . 101 ALA N . 18488 1 887 . 1 1 102 102 PHE H H 1 6.887 0.020 . 1 . . . . 102 PHE H . 18488 1 888 . 1 1 102 102 PHE C C 13 173.232 0.3 . 1 . . . . 102 PHE C . 18488 1 889 . 1 1 102 102 PHE CA C 13 57.403 0.3 . 1 . . . . 102 PHE CA . 18488 1 890 . 1 1 102 102 PHE CB C 13 40.247 0.3 . 1 . . . . 102 PHE CB . 18488 1 891 . 1 1 102 102 PHE N N 15 122.559 0.3 . 1 . . . . 102 PHE N . 18488 1 892 . 1 1 103 103 PRO HA H 1 4.309 0.020 . 1 . . . . 103 PRO HA . 18488 1 893 . 1 1 103 103 PRO HB2 H 1 2.159 0.020 . 1 . . . . 103 PRO HB2 . 18488 1 894 . 1 1 103 103 PRO HB3 H 1 2.159 0.020 . 1 . . . . 103 PRO HB3 . 18488 1 895 . 1 1 103 103 PRO HG2 H 1 1.914 0.020 . 1 . . . . 103 PRO HG2 . 18488 1 896 . 1 1 103 103 PRO HG3 H 1 1.914 0.020 . 1 . . . . 103 PRO HG3 . 18488 1 897 . 1 1 103 103 PRO HD2 H 1 3.150 0.020 . 1 . . . . 103 PRO HD2 . 18488 1 898 . 1 1 103 103 PRO HD3 H 1 3.150 0.020 . 1 . . . . 103 PRO HD3 . 18488 1 899 . 1 1 103 103 PRO CA C 13 63.127 0.3 . 1 . . . . 103 PRO CA . 18488 1 900 . 1 1 103 103 PRO CB C 13 32.061 0.3 . 1 . . . . 103 PRO CB . 18488 1 901 . 1 1 103 103 PRO CG C 13 27.445 0.3 . 1 . . . . 103 PRO CG . 18488 1 902 . 1 1 103 103 PRO CD C 13 50.763 0.3 . 1 . . . . 103 PRO CD . 18488 1 903 . 1 1 104 104 VAL H H 1 8.665 0.020 . 1 . . . . 104 VAL H . 18488 1 904 . 1 1 104 104 VAL HA H 1 3.820 0.020 . 1 . . . . 104 VAL HA . 18488 1 905 . 1 1 104 104 VAL C C 13 176.944 0.3 . 1 . . . . 104 VAL C . 18488 1 906 . 1 1 104 104 VAL CA C 13 60.062 0.3 . 1 . . . . 104 VAL CA . 18488 1 907 . 1 1 104 104 VAL CB C 13 32.788 0.3 . 1 . . . . 104 VAL CB . 18488 1 908 . 1 1 104 104 VAL CG1 C 13 22.034 0.3 . 1 . . . . 104 VAL CG1 . 18488 1 909 . 1 1 104 104 VAL CG2 C 13 20.306 0.3 . 1 . . . . 104 VAL CG2 . 18488 1 910 . 1 1 104 104 VAL N N 15 125.452 0.3 . 1 . . . . 104 VAL N . 18488 1 911 . 1 1 105 105 ARG H H 1 6.578 0.020 . 1 . . . . 105 ARG H . 18488 1 912 . 1 1 105 105 ARG HA H 1 3.784 0.020 . 1 . . . . 105 ARG HA . 18488 1 913 . 1 1 105 105 ARG C C 13 175.946 0.3 . 1 . . . . 105 ARG C . 18488 1 914 . 1 1 105 105 ARG CA C 13 56.153 0.3 . 1 . . . . 105 ARG CA . 18488 1 915 . 1 1 105 105 ARG CB C 13 29.251 0.3 . 1 . . . . 105 ARG CB . 18488 1 916 . 1 1 105 105 ARG N N 15 125.451 0.3 . 1 . . . . 105 ARG N . 18488 1 917 . 1 1 107 107 ARG C C 13 178.037 0.3 . 1 . . . . 107 ARG C . 18488 1 918 . 1 1 107 107 ARG CA C 13 56.865 0.3 . 1 . . . . 107 ARG CA . 18488 1 919 . 1 1 107 107 ARG CB C 13 32.309 0.3 . 1 . . . . 107 ARG CB . 18488 1 920 . 1 1 108 108 VAL H H 1 7.702 0.020 . 1 . . . . 108 VAL H . 18488 1 921 . 1 1 108 108 VAL CA C 13 62.574 0.3 . 1 . . . . 108 VAL CA . 18488 1 922 . 1 1 108 108 VAL CB C 13 37.745 0.3 . 1 . . . . 108 VAL CB . 18488 1 923 . 1 1 108 108 VAL N N 15 120.866 0.3 . 1 . . . . 108 VAL N . 18488 1 924 . 1 1 109 109 LEU H H 1 8.161 0.020 . 1 . . . . 109 LEU H . 18488 1 925 . 1 1 109 109 LEU CA C 13 55.756 0.3 . 1 . . . . 109 LEU CA . 18488 1 926 . 1 1 109 109 LEU CB C 13 40.375 0.3 . 1 . . . . 109 LEU CB . 18488 1 927 . 1 1 109 109 LEU N N 15 122.139 0.3 . 1 . . . . 109 LEU N . 18488 1 928 . 1 1 110 110 PRO C C 13 176.915 0.3 . 1 . . . . 110 PRO C . 18488 1 929 . 1 1 110 110 PRO CA C 13 62.585 0.3 . 1 . . . . 110 PRO CA . 18488 1 930 . 1 1 110 110 PRO CB C 13 31.473 0.3 . 1 . . . . 110 PRO CB . 18488 1 931 . 1 1 111 111 ALA H H 1 8.171 0.020 . 1 . . . . 111 ALA H . 18488 1 932 . 1 1 111 111 ALA C C 13 177.276 0.3 . 1 . . . . 111 ALA C . 18488 1 933 . 1 1 111 111 ALA CA C 13 50.798 0.3 . 1 . . . . 111 ALA CA . 18488 1 934 . 1 1 111 111 ALA CB C 13 22.254 0.3 . 1 . . . . 111 ALA CB . 18488 1 935 . 1 1 111 111 ALA N N 15 124.054 0.3 . 1 . . . . 111 ALA N . 18488 1 936 . 1 1 112 112 THR H H 1 8.383 0.020 . 1 . . . . 112 THR H . 18488 1 937 . 1 1 112 112 THR HA H 1 4.713 0.020 . 1 . . . . 112 THR HA . 18488 1 938 . 1 1 112 112 THR HB H 1 3.772 0.020 . 1 . . . . 112 THR HB . 18488 1 939 . 1 1 112 112 THR HG21 H 1 1.126 0.020 . 1 . . . . 112 THR HG2 . 18488 1 940 . 1 1 112 112 THR HG22 H 1 1.126 0.020 . 1 . . . . 112 THR HG2 . 18488 1 941 . 1 1 112 112 THR HG23 H 1 1.126 0.020 . 1 . . . . 112 THR HG2 . 18488 1 942 . 1 1 112 112 THR CA C 13 59.060 0.3 . 1 . . . . 112 THR CA . 18488 1 943 . 1 1 112 112 THR CB C 13 64.368 0.3 . 1 . . . . 112 THR CB . 18488 1 944 . 1 1 112 112 THR CG2 C 13 21.751 0.3 . 1 . . . . 112 THR CG2 . 18488 1 945 . 1 1 112 112 THR N N 15 112.265 0.3 . 1 . . . . 112 THR N . 18488 1 946 . 1 1 113 113 PRO C C 13 179.130 0.3 . 1 . . . . 113 PRO C . 18488 1 947 . 1 1 113 113 PRO CA C 13 58.935 0.3 . 1 . . . . 113 PRO CA . 18488 1 948 . 1 1 113 113 PRO CB C 13 29.668 0.3 . 1 . . . . 113 PRO CB . 18488 1 949 . 1 1 114 114 ARG H H 1 7.976 0.020 . 1 . . . . 114 ARG H . 18488 1 950 . 1 1 114 114 ARG HA H 1 3.875 0.020 . 1 . . . . 114 ARG HA . 18488 1 951 . 1 1 114 114 ARG HB2 H 1 1.738 0.020 . 1 . . . . 114 ARG HB2 . 18488 1 952 . 1 1 114 114 ARG HB3 H 1 1.738 0.020 . 1 . . . . 114 ARG HB3 . 18488 1 953 . 1 1 114 114 ARG HG2 H 1 1.485 0.020 . 1 . . . . 114 ARG HG2 . 18488 1 954 . 1 1 114 114 ARG HG3 H 1 1.485 0.020 . 1 . . . . 114 ARG HG3 . 18488 1 955 . 1 1 114 114 ARG HD2 H 1 3.080 0.020 . 1 . . . . 114 ARG HD2 . 18488 1 956 . 1 1 114 114 ARG HD3 H 1 3.080 0.020 . 1 . . . . 114 ARG HD3 . 18488 1 957 . 1 1 114 114 ARG C C 13 179.151 0.3 . 1 . . . . 114 ARG C . 18488 1 958 . 1 1 114 114 ARG CA C 13 59.127 0.3 . 1 . . . . 114 ARG CA . 18488 1 959 . 1 1 114 114 ARG CB C 13 29.458 0.3 . 1 . . . . 114 ARG CB . 18488 1 960 . 1 1 114 114 ARG CG C 13 27.446 0.3 . 1 . . . . 114 ARG CG . 18488 1 961 . 1 1 114 114 ARG CD C 13 43.458 0.3 . 1 . . . . 114 ARG CD . 18488 1 962 . 1 1 114 114 ARG N N 15 116.497 0.3 . 1 . . . . 114 ARG N . 18488 1 963 . 1 1 115 115 GLN H H 1 7.592 0.020 . 1 . . . . 115 GLN H . 18488 1 964 . 1 1 115 115 GLN HA H 1 3.077 0.020 . 1 . . . . 115 GLN HA . 18488 1 965 . 1 1 115 115 GLN HB2 H 1 1.395 0.020 . 1 . . . . 115 GLN HB2 . 18488 1 966 . 1 1 115 115 GLN HB3 H 1 1.395 0.020 . 1 . . . . 115 GLN HB3 . 18488 1 967 . 1 1 115 115 GLN HG2 H 1 1.687 0.020 . 1 . . . . 115 GLN HG2 . 18488 1 968 . 1 1 115 115 GLN HG3 H 1 1.687 0.020 . 1 . . . . 115 GLN HG3 . 18488 1 969 . 1 1 115 115 GLN C C 13 178.489 0.3 . 1 . . . . 115 GLN C . 18488 1 970 . 1 1 115 115 GLN CA C 13 43.453 0.3 . 1 . . . . 115 GLN CA . 18488 1 971 . 1 1 115 115 GLN CB C 13 27.275 0.3 . 1 . . . . 115 GLN CB . 18488 1 972 . 1 1 115 115 GLN CG C 13 30.422 0.3 . 1 . . . . 115 GLN CG . 18488 1 973 . 1 1 115 115 GLN N N 15 118.981 0.3 . 1 . . . . 115 GLN N . 18488 1 974 . 1 1 116 116 ILE CA C 13 64.027 0.3 . 1 . . . . 116 ILE CA . 18488 1 975 . 1 1 116 116 ILE CB C 13 36.567 0.3 . 1 . . . . 116 ILE CB . 18488 1 976 . 1 1 116 116 ILE CG1 C 13 28.405 0.3 . 1 . . . . 116 ILE CG1 . 18488 1 977 . 1 1 116 116 ILE CG2 C 13 17.733 0.3 . 1 . . . . 116 ILE CG2 . 18488 1 978 . 1 1 116 116 ILE CD1 C 13 12.230 0.3 . 1 . . . . 116 ILE CD1 . 18488 1 979 . 1 1 118 118 MET C C 13 178.423 0.3 . 1 . . . . 118 MET C . 18488 1 980 . 1 1 118 118 MET CA C 13 58.078 0.3 . 1 . . . . 118 MET CA . 18488 1 981 . 1 1 118 118 MET CB C 13 31.073 0.3 . 1 . . . . 118 MET CB . 18488 1 982 . 1 1 119 119 TYR H H 1 7.878 0.020 . 1 . . . . 119 TYR H . 18488 1 983 . 1 1 119 119 TYR HA H 1 4.399 0.020 . 1 . . . . 119 TYR HA . 18488 1 984 . 1 1 119 119 TYR C C 13 177.747 0.3 . 1 . . . . 119 TYR C . 18488 1 985 . 1 1 119 119 TYR CB C 13 38.619 0.3 . 1 . . . . 119 TYR CB . 18488 1 986 . 1 1 119 119 TYR N N 15 117.305 0.3 . 1 . . . . 119 TYR N . 18488 1 987 . 1 1 120 120 LEU H H 1 8.163 0.020 . 1 . . . . 120 LEU H . 18488 1 988 . 1 1 120 120 LEU HA H 1 4.375 0.020 . 1 . . . . 120 LEU HA . 18488 1 989 . 1 1 120 120 LEU HB2 H 1 2.575 0.020 . 1 . . . . 120 LEU HB2 . 18488 1 990 . 1 1 120 120 LEU HB3 H 1 2.575 0.020 . 1 . . . . 120 LEU HB3 . 18488 1 991 . 1 1 120 120 LEU HG H 1 1.528 0.020 . 1 . . . . 120 LEU HG . 18488 1 992 . 1 1 120 120 LEU HD11 H 1 0.738 0.020 . 1 . . . . 120 LEU HD1 . 18488 1 993 . 1 1 120 120 LEU HD12 H 1 0.738 0.020 . 1 . . . . 120 LEU HD1 . 18488 1 994 . 1 1 120 120 LEU HD13 H 1 0.738 0.020 . 1 . . . . 120 LEU HD1 . 18488 1 995 . 1 1 120 120 LEU HD21 H 1 0.738 0.020 . 1 . . . . 120 LEU HD2 . 18488 1 996 . 1 1 120 120 LEU HD22 H 1 0.738 0.020 . 1 . . . . 120 LEU HD2 . 18488 1 997 . 1 1 120 120 LEU HD23 H 1 0.738 0.020 . 1 . . . . 120 LEU HD2 . 18488 1 998 . 1 1 120 120 LEU C C 13 178.865 0.3 . 1 . . . . 120 LEU C . 18488 1 999 . 1 1 120 120 LEU CA C 13 55.518 0.3 . 1 . . . . 120 LEU CA . 18488 1 1000 . 1 1 120 120 LEU CB C 13 40.834 0.3 . 1 . . . . 120 LEU CB . 18488 1 1001 . 1 1 120 120 LEU CG C 13 27.066 0.3 . 1 . . . . 120 LEU CG . 18488 1 1002 . 1 1 120 120 LEU CD1 C 13 24.516 0.3 . 1 . . . . 120 LEU CD1 . 18488 1 1003 . 1 1 120 120 LEU CD2 C 13 24.516 0.3 . 1 . . . . 120 LEU CD2 . 18488 1 1004 . 1 1 120 120 LEU N N 15 116.369 0.3 . 1 . . . . 120 LEU N . 18488 1 1005 . 1 1 121 121 GLY H H 1 7.818 0.020 . 1 . . . . 121 GLY H . 18488 1 1006 . 1 1 121 121 GLY HA2 H 1 3.993 0.020 . 2 . . . . 121 GLY HA2 . 18488 1 1007 . 1 1 121 121 GLY HA3 H 1 3.783 0.020 . 2 . . . . 121 GLY HA3 . 18488 1 1008 . 1 1 121 121 GLY C C 13 174.846 0.3 . 1 . . . . 121 GLY C . 18488 1 1009 . 1 1 121 121 GLY CA C 13 45.935 0.3 . 1 . . . . 121 GLY CA . 18488 1 1010 . 1 1 121 121 GLY N N 15 108.231 0.3 . 1 . . . . 121 GLY N . 18488 1 1011 . 1 1 122 122 SER H H 1 8.009 0.020 . 1 . . . . 122 SER H . 18488 1 1012 . 1 1 122 122 SER HA H 1 4.333 0.020 . 1 . . . . 122 SER HA . 18488 1 1013 . 1 1 122 122 SER HB2 H 1 3.777 0.020 . 1 . . . . 122 SER HB2 . 18488 1 1014 . 1 1 122 122 SER HB3 H 1 3.777 0.020 . 1 . . . . 122 SER HB3 . 18488 1 1015 . 1 1 122 122 SER C C 13 175.074 0.3 . 1 . . . . 122 SER C . 18488 1 1016 . 1 1 122 122 SER CA C 13 58.667 0.3 . 1 . . . . 122 SER CA . 18488 1 1017 . 1 1 122 122 SER CB C 13 63.845 0.3 . 1 . . . . 122 SER CB . 18488 1 1018 . 1 1 122 122 SER N N 15 114.996 0.3 . 1 . . . . 122 SER N . 18488 1 1019 . 1 1 123 123 SER H H 1 8.220 0.020 . 1 . . . . 123 SER H . 18488 1 1020 . 1 1 123 123 SER HA H 1 4.313 0.020 . 1 . . . . 123 SER HA . 18488 1 1021 . 1 1 123 123 SER HB2 H 1 3.767 0.020 . 1 . . . . 123 SER HB2 . 18488 1 1022 . 1 1 123 123 SER HB3 H 1 3.767 0.020 . 1 . . . . 123 SER HB3 . 18488 1 1023 . 1 1 123 123 SER C C 13 174.749 0.3 . 1 . . . . 123 SER C . 18488 1 1024 . 1 1 123 123 SER CA C 13 58.674 0.3 . 1 . . . . 123 SER CA . 18488 1 1025 . 1 1 123 123 SER CB C 13 63.801 0.3 . 1 . . . . 123 SER CB . 18488 1 1026 . 1 1 123 123 SER N N 15 116.840 0.3 . 1 . . . . 123 SER N . 18488 1 1027 . 1 1 124 124 LEU H H 1 7.869 0.020 . 1 . . . . 124 LEU H . 18488 1 1028 . 1 1 124 124 LEU HA H 1 4.195 0.020 . 1 . . . . 124 LEU HA . 18488 1 1029 . 1 1 124 124 LEU HB2 H 1 1.630 0.020 . 1 . . . . 124 LEU HB2 . 18488 1 1030 . 1 1 124 124 LEU HB3 H 1 1.630 0.020 . 1 . . . . 124 LEU HB3 . 18488 1 1031 . 1 1 124 124 LEU HG H 1 1.589 0.020 . 1 . . . . 124 LEU HG . 18488 1 1032 . 1 1 124 124 LEU HD11 H 1 0.822 0.020 . 1 . . . . 124 LEU HD1 . 18488 1 1033 . 1 1 124 124 LEU HD12 H 1 0.822 0.020 . 1 . . . . 124 LEU HD1 . 18488 1 1034 . 1 1 124 124 LEU HD13 H 1 0.822 0.020 . 1 . . . . 124 LEU HD1 . 18488 1 1035 . 1 1 124 124 LEU HD21 H 1 0.694 0.020 . 1 . . . . 124 LEU HD2 . 18488 1 1036 . 1 1 124 124 LEU HD22 H 1 0.694 0.020 . 1 . . . . 124 LEU HD2 . 18488 1 1037 . 1 1 124 124 LEU HD23 H 1 0.694 0.020 . 1 . . . . 124 LEU HD2 . 18488 1 1038 . 1 1 124 124 LEU C C 13 176.998 0.3 . 1 . . . . 124 LEU C . 18488 1 1039 . 1 1 124 124 LEU CA C 13 55.305 0.3 . 1 . . . . 124 LEU CA . 18488 1 1040 . 1 1 124 124 LEU CB C 13 42.468 0.3 . 1 . . . . 124 LEU CB . 18488 1 1041 . 1 1 124 124 LEU CG C 13 26.926 0.3 . 1 . . . . 124 LEU CG . 18488 1 1042 . 1 1 124 124 LEU CD1 C 13 24.858 0.3 . 1 . . . . 124 LEU CD1 . 18488 1 1043 . 1 1 124 124 LEU CD2 C 13 23.795 0.3 . 1 . . . . 124 LEU CD2 . 18488 1 1044 . 1 1 124 124 LEU N N 15 122.621 0.3 . 1 . . . . 124 LEU N . 18488 1 1045 . 1 1 125 125 ASP H H 1 8.214 0.020 . 1 . . . . 125 ASP H . 18488 1 1046 . 1 1 125 125 ASP HA H 1 4.523 0.020 . 1 . . . . 125 ASP HA . 18488 1 1047 . 1 1 125 125 ASP HB2 H 1 2.600 0.020 . 2 . . . . 125 ASP HB2 . 18488 1 1048 . 1 1 125 125 ASP HB3 H 1 2.482 0.020 . 2 . . . . 125 ASP HB3 . 18488 1 1049 . 1 1 125 125 ASP C C 13 176.158 0.3 . 1 . . . . 125 ASP C . 18488 1 1050 . 1 1 125 125 ASP CA C 13 54.389 0.3 . 1 . . . . 125 ASP CA . 18488 1 1051 . 1 1 125 125 ASP CB C 13 40.992 0.3 . 1 . . . . 125 ASP CB . 18488 1 1052 . 1 1 125 125 ASP N N 15 121.207 0.3 . 1 . . . . 125 ASP N . 18488 1 1053 . 1 1 126 126 ILE H H 1 7.782 0.020 . 1 . . . . 126 ILE H . 18488 1 1054 . 1 1 126 126 ILE HA H 1 4.106 0.020 . 1 . . . . 126 ILE HA . 18488 1 1055 . 1 1 126 126 ILE HB H 1 1.775 0.020 . 1 . . . . 126 ILE HB . 18488 1 1056 . 1 1 126 126 ILE HG12 H 1 1.310 0.020 . 2 . . . . 126 ILE HG12 . 18488 1 1057 . 1 1 126 126 ILE HG13 H 1 0.992 0.020 . 2 . . . . 126 ILE HG13 . 18488 1 1058 . 1 1 126 126 ILE HG21 H 1 0.777 0.020 . 1 . . . . 126 ILE HG2 . 18488 1 1059 . 1 1 126 126 ILE HG22 H 1 0.777 0.020 . 1 . . . . 126 ILE HG2 . 18488 1 1060 . 1 1 126 126 ILE HG23 H 1 0.777 0.020 . 1 . . . . 126 ILE HG2 . 18488 1 1061 . 1 1 126 126 ILE HD11 H 1 0.707 0.020 . 1 . . . . 126 ILE HD1 . 18488 1 1062 . 1 1 126 126 ILE HD12 H 1 0.707 0.020 . 1 . . . . 126 ILE HD1 . 18488 1 1063 . 1 1 126 126 ILE HD13 H 1 0.707 0.020 . 1 . . . . 126 ILE HD1 . 18488 1 1064 . 1 1 126 126 ILE C C 13 175.530 0.3 . 1 . . . . 126 ILE C . 18488 1 1065 . 1 1 126 126 ILE CA C 13 61.207 0.3 . 1 . . . . 126 ILE CA . 18488 1 1066 . 1 1 126 126 ILE CB C 13 39.097 0.3 . 1 . . . . 126 ILE CB . 18488 1 1067 . 1 1 126 126 ILE CG1 C 13 26.958 0.3 . 1 . . . . 126 ILE CG1 . 18488 1 1068 . 1 1 126 126 ILE CG2 C 13 17.782 0.3 . 1 . . . . 126 ILE CG2 . 18488 1 1069 . 1 1 126 126 ILE CD1 C 13 13.507 0.3 . 1 . . . . 126 ILE CD1 . 18488 1 1070 . 1 1 126 126 ILE N N 15 119.550 0.3 . 1 . . . . 126 ILE N . 18488 1 1071 . 1 1 127 127 GLU H H 1 7.826 0.020 . 1 . . . . 127 GLU H . 18488 1 1072 . 1 1 127 127 GLU HA H 1 4.007 0.020 . 1 . . . . 127 GLU HA . 18488 1 1073 . 1 1 127 127 GLU HB2 H 1 1.913 0.020 . 1 . . . . 127 GLU HB2 . 18488 1 1074 . 1 1 127 127 GLU HB3 H 1 1.913 0.020 . 1 . . . . 127 GLU HB3 . 18488 1 1075 . 1 1 127 127 GLU HG2 H 1 2.091 0.020 . 1 . . . . 127 GLU HG2 . 18488 1 1076 . 1 1 127 127 GLU HG3 H 1 2.091 0.020 . 1 . . . . 127 GLU HG3 . 18488 1 1077 . 1 1 127 127 GLU C C 13 181.379 0.3 . 1 . . . . 127 GLU C . 18488 1 1078 . 1 1 127 127 GLU CA C 13 58.077 0.3 . 1 . . . . 127 GLU CA . 18488 1 1079 . 1 1 127 127 GLU CB C 13 31.287 0.3 . 1 . . . . 127 GLU CB . 18488 1 1080 . 1 1 127 127 GLU CG C 13 36.598 0.3 . 1 . . . . 127 GLU CG . 18488 1 1081 . 1 1 127 127 GLU N N 15 128.911 0.3 . 1 . . . . 127 GLU N . 18488 1 stop_ save_