data_28052 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28052 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the C. diphtheriae methionine sulfoxide reductase B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-29 _Entry.Accession_date 2019-11-29 _Entry.Last_release_date 2019-12-02 _Entry.Original_release_date 2019-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Maria-Armineh Tossounian . N. . . 28052 2 Joris Messens . . . . 28052 3 Alexander Volkov . N. . . 28052 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28052 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 28052 '15N chemical shifts' 121 28052 '1H chemical shifts' 746 28052 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-03-27 2019-11-29 update BMRB 'update entry citation' 28052 1 . . 2020-01-30 2019-11-29 original author 'original release' 28052 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28052 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31992594 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Methionine sulfoxide reductase B from Corynebacterium diphtheriae catalyzes sulfoxide reduction via an intramolecular disulfide cascade ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 295 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 3664 _Citation.Page_last 3677 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maria-Armineh Tossounian M. A. . . 28052 1 2 Anh-Co 'Khanh Truong' A. C. . . 28052 1 3 Lieven Buts L. . . . 28052 1 4 Khadija Wahni K. . . . 28052 1 5 Alvaro Mourenza A. . . . 28052 1 6 Martine Leermakers M. . . . 28052 1 7 Didier Vertommen D. . . . 28052 1 8 'Luis Mariano' Mateos L. M. . . 28052 1 9 Alexander Volkov A. N. . . 28052 1 10 Joris Messens J. . . . 28052 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28052 _Assembly.ID 1 _Assembly.Name MsrB _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MsrB 1 $MsrB A . yes native no no . . . 28052 1 2 Zinc 2 $entity_ZN A . no native no no . . . 28052 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 48 48 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 28052 1 2 coordination single . 1 . 1 CYS 51 51 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 28052 1 3 coordination single . 1 . 1 CYS 97 97 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 28052 1 4 coordination single . 1 . 1 CYS 100 100 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 28052 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MsrB _Entity.Sf_category entity _Entity.Sf_framecode MsrB _Entity.Entry_ID 28052 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MsrB _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 ; MTNFKLITDTEWRQRLSSEE YRVLREAGTEAPHTGEYTNT TTEGIYSCRACGTELFRSTE KFNSHCGWPSFFSPLAGDKV IERTDTSHGMVRTEVICANC ESHLGHVFAGEGYDTPTDLR YCINSVCLTLIPAEES ; _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 yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'SG atoms of C48, C51, C97, and C100 are bound to a Zn atom' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 28052 1 2 . THR . 28052 1 3 . ASN . 28052 1 4 . PHE . 28052 1 5 . LYS . 28052 1 6 . LEU . 28052 1 7 . ILE . 28052 1 8 . THR . 28052 1 9 . ASP . 28052 1 10 . THR . 28052 1 11 . GLU . 28052 1 12 . TRP . 28052 1 13 . ARG . 28052 1 14 . GLN . 28052 1 15 . ARG . 28052 1 16 . LEU . 28052 1 17 . SER . 28052 1 18 . SER . 28052 1 19 . GLU . 28052 1 20 . GLU . 28052 1 21 . TYR . 28052 1 22 . ARG . 28052 1 23 . VAL . 28052 1 24 . LEU . 28052 1 25 . ARG . 28052 1 26 . GLU . 28052 1 27 . ALA . 28052 1 28 . GLY . 28052 1 29 . THR . 28052 1 30 . GLU . 28052 1 31 . ALA . 28052 1 32 . PRO . 28052 1 33 . HIS . 28052 1 34 . THR . 28052 1 35 . GLY . 28052 1 36 . GLU . 28052 1 37 . TYR . 28052 1 38 . THR . 28052 1 39 . ASN . 28052 1 40 . THR . 28052 1 41 . THR . 28052 1 42 . THR . 28052 1 43 . GLU . 28052 1 44 . GLY . 28052 1 45 . ILE . 28052 1 46 . TYR . 28052 1 47 . SER . 28052 1 48 . CYS . 28052 1 49 . ARG . 28052 1 50 . ALA . 28052 1 51 . CYS . 28052 1 52 . GLY . 28052 1 53 . THR . 28052 1 54 . GLU . 28052 1 55 . LEU . 28052 1 56 . PHE . 28052 1 57 . ARG . 28052 1 58 . SER . 28052 1 59 . THR . 28052 1 60 . GLU . 28052 1 61 . LYS . 28052 1 62 . PHE . 28052 1 63 . ASN . 28052 1 64 . SER . 28052 1 65 . HIS . 28052 1 66 . CYS . 28052 1 67 . GLY . 28052 1 68 . TRP . 28052 1 69 . PRO . 28052 1 70 . SER . 28052 1 71 . PHE . 28052 1 72 . PHE . 28052 1 73 . SER . 28052 1 74 . PRO . 28052 1 75 . LEU . 28052 1 76 . ALA . 28052 1 77 . GLY . 28052 1 78 . ASP . 28052 1 79 . LYS . 28052 1 80 . VAL . 28052 1 81 . ILE . 28052 1 82 . GLU . 28052 1 83 . ARG . 28052 1 84 . THR . 28052 1 85 . ASP . 28052 1 86 . THR . 28052 1 87 . SER . 28052 1 88 . HIS . 28052 1 89 . GLY . 28052 1 90 . MET . 28052 1 91 . VAL . 28052 1 92 . ARG . 28052 1 93 . THR . 28052 1 94 . GLU . 28052 1 95 . VAL . 28052 1 96 . ILE . 28052 1 97 . CYS . 28052 1 98 . ALA . 28052 1 99 . ASN . 28052 1 100 . CYS . 28052 1 101 . GLU . 28052 1 102 . SER . 28052 1 103 . HIS . 28052 1 104 . LEU . 28052 1 105 . GLY . 28052 1 106 . HIS . 28052 1 107 . VAL . 28052 1 108 . PHE . 28052 1 109 . ALA . 28052 1 110 . GLY . 28052 1 111 . GLU . 28052 1 112 . GLY . 28052 1 113 . TYR . 28052 1 114 . ASP . 28052 1 115 . THR . 28052 1 116 . PRO . 28052 1 117 . THR . 28052 1 118 . ASP . 28052 1 119 . LEU . 28052 1 120 . ARG . 28052 1 121 . TYR . 28052 1 122 . CYS . 28052 1 123 . ILE . 28052 1 124 . ASN . 28052 1 125 . SER . 28052 1 126 . VAL . 28052 1 127 . CYS . 28052 1 128 . LEU . 28052 1 129 . THR . 28052 1 130 . LEU . 28052 1 131 . ILE . 28052 1 132 . PRO . 28052 1 133 . ALA . 28052 1 134 . GLU . 28052 1 135 . GLU . 28052 1 136 . SER . 28052 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 28052 1 . THR 2 2 28052 1 . ASN 3 3 28052 1 . PHE 4 4 28052 1 . LYS 5 5 28052 1 . LEU 6 6 28052 1 . ILE 7 7 28052 1 . THR 8 8 28052 1 . ASP 9 9 28052 1 . THR 10 10 28052 1 . GLU 11 11 28052 1 . TRP 12 12 28052 1 . ARG 13 13 28052 1 . GLN 14 14 28052 1 . ARG 15 15 28052 1 . LEU 16 16 28052 1 . SER 17 17 28052 1 . SER 18 18 28052 1 . GLU 19 19 28052 1 . GLU 20 20 28052 1 . TYR 21 21 28052 1 . ARG 22 22 28052 1 . VAL 23 23 28052 1 . LEU 24 24 28052 1 . ARG 25 25 28052 1 . GLU 26 26 28052 1 . ALA 27 27 28052 1 . GLY 28 28 28052 1 . THR 29 29 28052 1 . GLU 30 30 28052 1 . ALA 31 31 28052 1 . PRO 32 32 28052 1 . HIS 33 33 28052 1 . THR 34 34 28052 1 . GLY 35 35 28052 1 . GLU 36 36 28052 1 . TYR 37 37 28052 1 . THR 38 38 28052 1 . ASN 39 39 28052 1 . THR 40 40 28052 1 . THR 41 41 28052 1 . THR 42 42 28052 1 . GLU 43 43 28052 1 . GLY 44 44 28052 1 . ILE 45 45 28052 1 . TYR 46 46 28052 1 . SER 47 47 28052 1 . CYS 48 48 28052 1 . ARG 49 49 28052 1 . ALA 50 50 28052 1 . CYS 51 51 28052 1 . GLY 52 52 28052 1 . THR 53 53 28052 1 . GLU 54 54 28052 1 . LEU 55 55 28052 1 . PHE 56 56 28052 1 . ARG 57 57 28052 1 . SER 58 58 28052 1 . THR 59 59 28052 1 . GLU 60 60 28052 1 . LYS 61 61 28052 1 . PHE 62 62 28052 1 . ASN 63 63 28052 1 . SER 64 64 28052 1 . HIS 65 65 28052 1 . CYS 66 66 28052 1 . GLY 67 67 28052 1 . TRP 68 68 28052 1 . PRO 69 69 28052 1 . SER 70 70 28052 1 . PHE 71 71 28052 1 . PHE 72 72 28052 1 . SER 73 73 28052 1 . PRO 74 74 28052 1 . LEU 75 75 28052 1 . ALA 76 76 28052 1 . GLY 77 77 28052 1 . ASP 78 78 28052 1 . LYS 79 79 28052 1 . VAL 80 80 28052 1 . ILE 81 81 28052 1 . GLU 82 82 28052 1 . ARG 83 83 28052 1 . THR 84 84 28052 1 . ASP 85 85 28052 1 . THR 86 86 28052 1 . SER 87 87 28052 1 . HIS 88 88 28052 1 . GLY 89 89 28052 1 . MET 90 90 28052 1 . VAL 91 91 28052 1 . ARG 92 92 28052 1 . THR 93 93 28052 1 . GLU 94 94 28052 1 . VAL 95 95 28052 1 . ILE 96 96 28052 1 . CYS 97 97 28052 1 . ALA 98 98 28052 1 . ASN 99 99 28052 1 . CYS 100 100 28052 1 . GLU 101 101 28052 1 . SER 102 102 28052 1 . HIS 103 103 28052 1 . LEU 104 104 28052 1 . GLY 105 105 28052 1 . HIS 106 106 28052 1 . VAL 107 107 28052 1 . PHE 108 108 28052 1 . ALA 109 109 28052 1 . GLY 110 110 28052 1 . GLU 111 111 28052 1 . GLY 112 112 28052 1 . TYR 113 113 28052 1 . ASP 114 114 28052 1 . THR 115 115 28052 1 . PRO 116 116 28052 1 . THR 117 117 28052 1 . ASP 118 118 28052 1 . LEU 119 119 28052 1 . ARG 120 120 28052 1 . TYR 121 121 28052 1 . CYS 122 122 28052 1 . ILE 123 123 28052 1 . ASN 124 124 28052 1 . SER 125 125 28052 1 . VAL 126 126 28052 1 . CYS 127 127 28052 1 . LEU 128 128 28052 1 . THR 129 129 28052 1 . LEU 130 130 28052 1 . ILE 131 131 28052 1 . PRO 132 132 28052 1 . ALA 133 133 28052 1 . GLU 134 134 28052 1 . GLU 135 135 28052 1 . SER 136 136 28052 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 28052 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 28052 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 28052 2 ZN 'Three letter code' 28052 2 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 1 ZN $chem_comp_ZN 28052 2 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 28052 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MsrB . 1717 organism . 'Corynebacterium diphtheriae' 'Corynebacterium diphtheriae' . . Bacteria . Corynebacterium diphtheriae . . . . . . . . . . . . . 28052 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 28052 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MsrB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta (DE3)' . . . . . pET28b(+) . . . 28052 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 28052 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 28052 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 28052 ZN [Zn++] SMILES CACTVS 3.341 28052 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 28052 ZN [Zn+2] SMILES ACDLabs 10.04 28052 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 28052 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 28052 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 28052 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 28052 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 28052 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28052 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MsrB '[U-13C; U-15N]' . . 1 $MsrB . . 1 . . mM . . . . 28052 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28052 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 28052 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28052 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 28052 1 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 28052 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 165 . mM 28052 1 pH 7.0 . pH 28052 1 pressure 1 . atm 28052 1 temperature 298 . K 28052 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28052 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28052 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28052 1 . processing 28052 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28052 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28052 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28052 2 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 28052 _Software.ID 3 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28052 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28052 3 . 'data analysis' 28052 3 . 'peak picking' 28052 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28052 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28052 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 28052 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 28052 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 7 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 8 '3D H(C)CH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 14 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 1 15 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28052 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 28052 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28052 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28052 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28052 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 28052 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28052 1 2 '3D HNCACB' . . . 28052 1 3 '3D HN(CO)CACB' . . . 28052 1 4 '3D HNCO' . . . 28052 1 5 '3D HN(CA)CO' . . . 28052 1 6 '3D HBHA(CO)NH' . . . 28052 1 7 '3D (H)CCH-TOCSY' . . . 28052 1 8 '3D H(C)CH-TOCSY' . . . 28052 1 9 '2D 1H-13C HSQC' . . . 28052 1 10 '2D 1H-13C HSQC aromatic' . . . 28052 1 11 '3D 1H-15N NOESY' . . . 28052 1 12 '3D 1H-13C NOESY aliphatic' . . . 28052 1 13 '3D 1H-13C NOESY aromatic' . . . 28052 1 14 '2D (HB)CB(CGCD)HD' . . . 28052 1 15 '2D (HB)CB(CGCDCE)HE' . . . 28052 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ASN HA H 1 4.73952 0.04 . 1 . . . . . 3 ASN HA . 28052 1 2 . 1 . 1 3 3 ASN HB2 H 1 2.62294 0.04 . 2 . . . . . 3 ASN HB2 . 28052 1 3 . 1 . 1 3 3 ASN HB3 H 1 2.83482 0.04 . 2 . . . . . 3 ASN HB3 . 28052 1 4 . 1 . 1 3 3 ASN HD21 H 1 6.93711 0.04 . 2 . . . . . 3 ASN HD21 . 28052 1 5 . 1 . 1 3 3 ASN HD22 H 1 7.59464 0.04 . 2 . . . . . 3 ASN HD22 . 28052 1 6 . 1 . 1 3 3 ASN C C 13 176.70781 0.4 . 1 . . . . . 3 ASN C . 28052 1 7 . 1 . 1 3 3 ASN CA C 13 51.82291 0.4 . 1 . . . . . 3 ASN CA . 28052 1 8 . 1 . 1 3 3 ASN CB C 13 37.45532 0.4 . 1 . . . . . 3 ASN CB . 28052 1 9 . 1 . 1 3 3 ASN ND2 N 15 111.18464 0.2 . 1 . . . . . 3 ASN ND2 . 28052 1 10 . 1 . 1 4 4 PHE H H 1 8.83724 0.04 . 1 . . . . . 4 PHE H . 28052 1 11 . 1 . 1 4 4 PHE HA H 1 3.97031 0.04 . 1 . . . . . 4 PHE HA . 28052 1 12 . 1 . 1 4 4 PHE HB2 H 1 2.85747 0.04 . 2 . . . . . 4 PHE HB2 . 28052 1 13 . 1 . 1 4 4 PHE HB3 H 1 3.16564 0.04 . 2 . . . . . 4 PHE HB3 . 28052 1 14 . 1 . 1 4 4 PHE HD1 H 1 7.29248 0.04 . 3 . . . . . 4 PHE HD* . 28052 1 15 . 1 . 1 4 4 PHE HD2 H 1 7.29248 0.04 . 3 . . . . . 4 PHE HD* . 28052 1 16 . 1 . 1 4 4 PHE C C 13 177.10663 0.4 . 1 . . . . . 4 PHE C . 28052 1 17 . 1 . 1 4 4 PHE CA C 13 61.63534 0.4 . 1 . . . . . 4 PHE CA . 28052 1 18 . 1 . 1 4 4 PHE CB C 13 39.36058 0.4 . 1 . . . . . 4 PHE CB . 28052 1 19 . 1 . 1 4 4 PHE CD1 C 13 130.36076 0.4 . 3 . . . . . 4 PHE CD* . 28052 1 20 . 1 . 1 4 4 PHE CD2 C 13 130.36076 0.4 . 3 . . . . . 4 PHE CD* . 28052 1 21 . 1 . 1 4 4 PHE N N 15 123.53987 0.2 . 1 . . . . . 4 PHE N . 28052 1 22 . 1 . 1 5 5 LYS H H 1 8.21758 0.04 . 1 . . . . . 5 LYS H . 28052 1 23 . 1 . 1 5 5 LYS HA H 1 4.21605 0.04 . 1 . . . . . 5 LYS HA . 28052 1 24 . 1 . 1 5 5 LYS HB2 H 1 1.82943 0.04 . 2 . . . . . 5 LYS HB2 . 28052 1 25 . 1 . 1 5 5 LYS HB3 H 1 1.88733 0.04 . 2 . . . . . 5 LYS HB3 . 28052 1 26 . 1 . 1 5 5 LYS HG2 H 1 1.26385 0.04 . 2 . . . . . 5 LYS HG2 . 28052 1 27 . 1 . 1 5 5 LYS HG3 H 1 1.60857 0.04 . 2 . . . . . 5 LYS HG3 . 28052 1 28 . 1 . 1 5 5 LYS HD2 H 1 1.61332 0.04 . 2 . . . . . 5 LYS HD2 . 28052 1 29 . 1 . 1 5 5 LYS HD3 H 1 1.65882 0.04 . 2 . . . . . 5 LYS HD3 . 28052 1 30 . 1 . 1 5 5 LYS HE2 H 1 2.9554 0.04 . 1 . . . . . 5 LYS HE2 . 28052 1 31 . 1 . 1 5 5 LYS HE3 H 1 2.9554 0.04 . 1 . . . . . 5 LYS HE3 . 28052 1 32 . 1 . 1 5 5 LYS C C 13 176.8324 0.4 . 1 . . . . . 5 LYS C . 28052 1 33 . 1 . 1 5 5 LYS CA C 13 58.4782 0.4 . 1 . . . . . 5 LYS CA . 28052 1 34 . 1 . 1 5 5 LYS CB C 13 31.87024 0.4 . 1 . . . . . 5 LYS CB . 28052 1 35 . 1 . 1 5 5 LYS CG C 13 26.14998 0.4 . 1 . . . . . 5 LYS CG . 28052 1 36 . 1 . 1 5 5 LYS CD C 13 28.92252 0.4 . 1 . . . . . 5 LYS CD . 28052 1 37 . 1 . 1 5 5 LYS CE C 13 42.37021 0.4 . 1 . . . . . 5 LYS CE . 28052 1 38 . 1 . 1 5 5 LYS N N 15 117.91127 0.2 . 1 . . . . . 5 LYS N . 28052 1 39 . 1 . 1 6 6 LEU H H 1 7.12559 0.04 . 1 . . . . . 6 LEU H . 28052 1 40 . 1 . 1 6 6 LEU HA H 1 4.31677 0.04 . 1 . . . . . 6 LEU HA . 28052 1 41 . 1 . 1 6 6 LEU HB2 H 1 1.47915 0.04 . 2 . . . . . 6 LEU HB2 . 28052 1 42 . 1 . 1 6 6 LEU HB3 H 1 1.59871 0.04 . 2 . . . . . 6 LEU HB3 . 28052 1 43 . 1 . 1 6 6 LEU HG H 1 1.3796 0.04 . 1 . . . . . 6 LEU HG . 28052 1 44 . 1 . 1 6 6 LEU HD11 H 1 0.72118 0.04 . 2 . . . . . 6 LEU HD1* . 28052 1 45 . 1 . 1 6 6 LEU HD12 H 1 0.72118 0.04 . 2 . . . . . 6 LEU HD1* . 28052 1 46 . 1 . 1 6 6 LEU HD13 H 1 0.72118 0.04 . 2 . . . . . 6 LEU HD1* . 28052 1 47 . 1 . 1 6 6 LEU HD21 H 1 0.83267 0.04 . 2 . . . . . 6 LEU HD2* . 28052 1 48 . 1 . 1 6 6 LEU HD22 H 1 0.83267 0.04 . 2 . . . . . 6 LEU HD2* . 28052 1 49 . 1 . 1 6 6 LEU HD23 H 1 0.83267 0.04 . 2 . . . . . 6 LEU HD2* . 28052 1 50 . 1 . 1 6 6 LEU C C 13 177.46226 0.4 . 1 . . . . . 6 LEU C . 28052 1 51 . 1 . 1 6 6 LEU CA C 13 54.01216 0.4 . 1 . . . . . 6 LEU CA . 28052 1 52 . 1 . 1 6 6 LEU CB C 13 42.21849 0.4 . 1 . . . . . 6 LEU CB . 28052 1 53 . 1 . 1 6 6 LEU CG C 13 26.78915 0.4 . 1 . . . . . 6 LEU CG . 28052 1 54 . 1 . 1 6 6 LEU CD1 C 13 22.15333 0.4 . 2 . . . . . 6 LEU CD1 . 28052 1 55 . 1 . 1 6 6 LEU CD2 C 13 25.35983 0.4 . 2 . . . . . 6 LEU CD2 . 28052 1 56 . 1 . 1 6 6 LEU N N 15 115.92578 0.2 . 1 . . . . . 6 LEU N . 28052 1 57 . 1 . 1 7 7 ILE H H 1 6.79742 0.04 . 1 . . . . . 7 ILE H . 28052 1 58 . 1 . 1 7 7 ILE HA H 1 3.71717 0.04 . 1 . . . . . 7 ILE HA . 28052 1 59 . 1 . 1 7 7 ILE HB H 1 1.3933 0.04 . 1 . . . . . 7 ILE HB . 28052 1 60 . 1 . 1 7 7 ILE HG12 H 1 0.67718 0.04 . 2 . . . . . 7 ILE HG12 . 28052 1 61 . 1 . 1 7 7 ILE HG13 H 1 1.06021 0.04 . 2 . . . . . 7 ILE HG13 . 28052 1 62 . 1 . 1 7 7 ILE HG21 H 1 -0.30249 0.04 . 1 . . . . . 7 ILE HG2* . 28052 1 63 . 1 . 1 7 7 ILE HG22 H 1 -0.30249 0.04 . 1 . . . . . 7 ILE HG2* . 28052 1 64 . 1 . 1 7 7 ILE HG23 H 1 -0.30249 0.04 . 1 . . . . . 7 ILE HG2* . 28052 1 65 . 1 . 1 7 7 ILE HD11 H 1 0.00519 0.04 . 1 . . . . . 7 ILE HD1* . 28052 1 66 . 1 . 1 7 7 ILE HD12 H 1 0.00519 0.04 . 1 . . . . . 7 ILE HD1* . 28052 1 67 . 1 . 1 7 7 ILE HD13 H 1 0.00519 0.04 . 1 . . . . . 7 ILE HD1* . 28052 1 68 . 1 . 1 7 7 ILE C C 13 176.45391 0.4 . 1 . . . . . 7 ILE C . 28052 1 69 . 1 . 1 7 7 ILE CA C 13 61.92987 0.4 . 1 . . . . . 7 ILE CA . 28052 1 70 . 1 . 1 7 7 ILE CB C 13 37.59865 0.4 . 1 . . . . . 7 ILE CB . 28052 1 71 . 1 . 1 7 7 ILE CG1 C 13 27.66645 0.4 . 1 . . . . . 7 ILE CG1 . 28052 1 72 . 1 . 1 7 7 ILE CG2 C 13 15.03411 0.4 . 1 . . . . . 7 ILE CG2 . 28052 1 73 . 1 . 1 7 7 ILE CD1 C 13 12.24885 0.4 . 1 . . . . . 7 ILE CD1 . 28052 1 74 . 1 . 1 7 7 ILE N N 15 121.40697 0.2 . 1 . . . . . 7 ILE N . 28052 1 75 . 1 . 1 8 8 THR H H 1 8.44394 0.04 . 1 . . . . . 8 THR H . 28052 1 76 . 1 . 1 8 8 THR HA H 1 4.40526 0.04 . 1 . . . . . 8 THR HA . 28052 1 77 . 1 . 1 8 8 THR HB H 1 4.67821 0.04 . 1 . . . . . 8 THR HB . 28052 1 78 . 1 . 1 8 8 THR C C 13 175.36678 0.4 . 1 . . . . . 8 THR C . 28052 1 79 . 1 . 1 8 8 THR CA C 13 61.23501 0.4 . 1 . . . . . 8 THR CA . 28052 1 80 . 1 . 1 8 8 THR CB C 13 71.53272 0.4 . 1 . . . . . 8 THR CB . 28052 1 81 . 1 . 1 8 8 THR N N 15 119.07045 0.2 . 1 . . . . . 8 THR N . 28052 1 82 . 1 . 1 9 9 ASP H H 1 9.13068 0.04 . 1 . . . . . 9 ASP H . 28052 1 83 . 1 . 1 9 9 ASP HA H 1 4.86118 0.04 . 1 . . . . . 9 ASP HA . 28052 1 84 . 1 . 1 9 9 ASP HB2 H 1 2.86706 0.04 . 2 . . . . . 9 ASP HB2 . 28052 1 85 . 1 . 1 9 9 ASP HB3 H 1 2.94042 0.04 . 2 . . . . . 9 ASP HB3 . 28052 1 86 . 1 . 1 9 9 ASP C C 13 178.24339 0.4 . 1 . . . . . 9 ASP C . 28052 1 87 . 1 . 1 9 9 ASP CA C 13 58.8746 0.4 . 1 . . . . . 9 ASP CA . 28052 1 88 . 1 . 1 9 9 ASP CB C 13 40.63902 0.4 . 1 . . . . . 9 ASP CB . 28052 1 89 . 1 . 1 9 9 ASP N N 15 121.27308 0.2 . 1 . . . . . 9 ASP N . 28052 1 90 . 1 . 1 10 10 THR H H 1 8.04247 0.04 . 1 . . . . . 10 THR H . 28052 1 91 . 1 . 1 10 10 THR HA H 1 3.76116 0.04 . 1 . . . . . 10 THR HA . 28052 1 92 . 1 . 1 10 10 THR HB H 1 3.97449 0.04 . 1 . . . . . 10 THR HB . 28052 1 93 . 1 . 1 10 10 THR HG21 H 1 1.13854 0.04 . 1 . . . . . 10 THR HG2* . 28052 1 94 . 1 . 1 10 10 THR HG22 H 1 1.13854 0.04 . 1 . . . . . 10 THR HG2* . 28052 1 95 . 1 . 1 10 10 THR HG23 H 1 1.13854 0.04 . 1 . . . . . 10 THR HG2* . 28052 1 96 . 1 . 1 10 10 THR C C 13 176.47646 0.4 . 1 . . . . . 10 THR C . 28052 1 97 . 1 . 1 10 10 THR CA C 13 66.46262 0.4 . 1 . . . . . 10 THR CA . 28052 1 98 . 1 . 1 10 10 THR CB C 13 68.79079 0.4 . 1 . . . . . 10 THR CB . 28052 1 99 . 1 . 1 10 10 THR CG2 C 13 21.38691 0.4 . 1 . . . . . 10 THR CG2 . 28052 1 100 . 1 . 1 10 10 THR N N 15 113.08497 0.2 . 1 . . . . . 10 THR N . 28052 1 101 . 1 . 1 11 11 GLU H H 1 7.42766 0.04 . 1 . . . . . 11 GLU H . 28052 1 102 . 1 . 1 11 11 GLU HA H 1 3.96552 0.04 . 1 . . . . . 11 GLU HA . 28052 1 103 . 1 . 1 11 11 GLU HB2 H 1 1.66405 0.04 . 2 . . . . . 11 GLU HB2 . 28052 1 104 . 1 . 1 11 11 GLU HB3 H 1 2.05502 0.04 . 2 . . . . . 11 GLU HB3 . 28052 1 105 . 1 . 1 11 11 GLU HG2 H 1 1.87821 0.04 . 2 . . . . . 11 GLU HG2 . 28052 1 106 . 1 . 1 11 11 GLU HG3 H 1 2.10635 0.04 . 2 . . . . . 11 GLU HG3 . 28052 1 107 . 1 . 1 11 11 GLU C C 13 180.4304 0.4 . 1 . . . . . 11 GLU C . 28052 1 108 . 1 . 1 11 11 GLU CA C 13 59.24622 0.4 . 1 . . . . . 11 GLU CA . 28052 1 109 . 1 . 1 11 11 GLU CB C 13 29.40348 0.4 . 1 . . . . . 11 GLU CB . 28052 1 110 . 1 . 1 11 11 GLU CG C 13 37.22627 0.4 . 1 . . . . . 11 GLU CG . 28052 1 111 . 1 . 1 11 11 GLU N N 15 122.47258 0.2 . 1 . . . . . 11 GLU N . 28052 1 112 . 1 . 1 12 12 TRP H H 1 8.96984 0.04 . 1 . . . . . 12 TRP H . 28052 1 113 . 1 . 1 12 12 TRP HA H 1 4.64472 0.04 . 1 . . . . . 12 TRP HA . 28052 1 114 . 1 . 1 12 12 TRP HB2 H 1 3.3972 0.04 . 2 . . . . . 12 TRP HB2 . 28052 1 115 . 1 . 1 12 12 TRP HB3 H 1 3.78238 0.04 . 2 . . . . . 12 TRP HB3 . 28052 1 116 . 1 . 1 12 12 TRP HD1 H 1 7.01913 0.04 . 1 . . . . . 12 TRP HD1 . 28052 1 117 . 1 . 1 12 12 TRP HE1 H 1 10.24891 0.04 . 1 . . . . . 12 TRP HE1 . 28052 1 118 . 1 . 1 12 12 TRP HE3 H 1 7.55351 0.04 . 1 . . . . . 12 TRP HE3 . 28052 1 119 . 1 . 1 12 12 TRP HZ2 H 1 7.5968 0.04 . 1 . . . . . 12 TRP HZ2 . 28052 1 120 . 1 . 1 12 12 TRP HZ3 H 1 7.186 0.04 . 1 . . . . . 12 TRP HZ3 . 28052 1 121 . 1 . 1 12 12 TRP HH2 H 1 6.91789 0.04 . 1 . . . . . 12 TRP HH2 . 28052 1 122 . 1 . 1 12 12 TRP C C 13 178.85461 0.4 . 1 . . . . . 12 TRP C . 28052 1 123 . 1 . 1 12 12 TRP CA C 13 61.10654 0.4 . 1 . . . . . 12 TRP CA . 28052 1 124 . 1 . 1 12 12 TRP CB C 13 30.76548 0.4 . 1 . . . . . 12 TRP CB . 28052 1 125 . 1 . 1 12 12 TRP CD1 C 13 128.70479 0.4 . 1 . . . . . 12 TRP CD1 . 28052 1 126 . 1 . 1 12 12 TRP CE3 C 13 119.61117 0.4 . 1 . . . . . 12 TRP CE3 . 28052 1 127 . 1 . 1 12 12 TRP CZ2 C 13 114.53893 0.4 . 1 . . . . . 12 TRP CZ2 . 28052 1 128 . 1 . 1 12 12 TRP CZ3 C 13 121.46158 0.4 . 1 . . . . . 12 TRP CZ3 . 28052 1 129 . 1 . 1 12 12 TRP CH2 C 13 124.22287 0.4 . 1 . . . . . 12 TRP CH2 . 28052 1 130 . 1 . 1 12 12 TRP N N 15 122.00305 0.2 . 1 . . . . . 12 TRP N . 28052 1 131 . 1 . 1 12 12 TRP NE1 N 15 130.56691 0.2 . 1 . . . . . 12 TRP NE1 . 28052 1 132 . 1 . 1 13 13 ARG H H 1 8.20313 0.04 . 1 . . . . . 13 ARG H . 28052 1 133 . 1 . 1 13 13 ARG HA H 1 3.84004 0.04 . 1 . . . . . 13 ARG HA . 28052 1 134 . 1 . 1 13 13 ARG HB2 H 1 1.57466 0.04 . 2 . . . . . 13 ARG HB2 . 28052 1 135 . 1 . 1 13 13 ARG HB3 H 1 1.63985 0.04 . 2 . . . . . 13 ARG HB3 . 28052 1 136 . 1 . 1 13 13 ARG HG2 H 1 0.7102 0.04 . 1 . . . . . 13 ARG HG2 . 28052 1 137 . 1 . 1 13 13 ARG HG3 H 1 1.32493 0.04 . 2 . . . . . 13 ARG HG3 . 28052 1 138 . 1 . 1 13 13 ARG HD2 H 1 2.66373 0.04 . 1 . . . . . 13 ARG HD2 . 28052 1 139 . 1 . 1 13 13 ARG HD3 H 1 2.66373 0.04 . 1 . . . . . 13 ARG HD3 . 28052 1 140 . 1 . 1 13 13 ARG C C 13 177.97942 0.4 . 1 . . . . . 13 ARG C . 28052 1 141 . 1 . 1 13 13 ARG CA C 13 58.36786 0.4 . 1 . . . . . 13 ARG CA . 28052 1 142 . 1 . 1 13 13 ARG CB C 13 30.07361 0.4 . 1 . . . . . 13 ARG CB . 28052 1 143 . 1 . 1 13 13 ARG CG C 13 28.57956 0.4 . 1 . . . . . 13 ARG CG . 28052 1 144 . 1 . 1 13 13 ARG CD C 13 43.21979 0.4 . 1 . . . . . 13 ARG CD . 28052 1 145 . 1 . 1 13 13 ARG N N 15 116.29262 0.2 . 1 . . . . . 13 ARG N . 28052 1 146 . 1 . 1 14 14 GLN H H 1 7.3388 0.04 . 1 . . . . . 14 GLN H . 28052 1 147 . 1 . 1 14 14 GLN HA H 1 4.23136 0.04 . 1 . . . . . 14 GLN HA . 28052 1 148 . 1 . 1 14 14 GLN HB2 H 1 2.13102 0.04 . 1 . . . . . 14 GLN HB2 . 28052 1 149 . 1 . 1 14 14 GLN HB3 H 1 2.13102 0.04 . 1 . . . . . 14 GLN HB3 . 28052 1 150 . 1 . 1 14 14 GLN HG2 H 1 2.34364 0.04 . 2 . . . . . 14 GLN HG2 . 28052 1 151 . 1 . 1 14 14 GLN HG3 H 1 2.47816 0.04 . 2 . . . . . 14 GLN HG3 . 28052 1 152 . 1 . 1 14 14 GLN HE21 H 1 6.69886 0.04 . 2 . . . . . 14 GLN HE21 . 28052 1 153 . 1 . 1 14 14 GLN HE22 H 1 7.29243 0.04 . 2 . . . . . 14 GLN HE22 . 28052 1 154 . 1 . 1 14 14 GLN C C 13 177.52119 0.4 . 1 . . . . . 14 GLN C . 28052 1 155 . 1 . 1 14 14 GLN CA C 13 56.74269 0.4 . 1 . . . . . 14 GLN CA . 28052 1 156 . 1 . 1 14 14 GLN CB C 13 29.08784 0.4 . 1 . . . . . 14 GLN CB . 28052 1 157 . 1 . 1 14 14 GLN CG C 13 33.79571 0.4 . 1 . . . . . 14 GLN CG . 28052 1 158 . 1 . 1 14 14 GLN N N 15 114.92904 0.2 . 1 . . . . . 14 GLN N . 28052 1 159 . 1 . 1 14 14 GLN NE2 N 15 111.4942 0.2 . 1 . . . . . 14 GLN NE2 . 28052 1 160 . 1 . 1 15 15 ARG H H 1 7.84456 0.04 . 1 . . . . . 15 ARG H . 28052 1 161 . 1 . 1 15 15 ARG HA H 1 4.28219 0.04 . 1 . . . . . 15 ARG HA . 28052 1 162 . 1 . 1 15 15 ARG HB2 H 1 2.00351 0.04 . 2 . . . . . 15 ARG HB2 . 28052 1 163 . 1 . 1 15 15 ARG HB3 H 1 2.0974 0.04 . 2 . . . . . 15 ARG HB3 . 28052 1 164 . 1 . 1 15 15 ARG HG2 H 1 1.74454 0.04 . 2 . . . . . 15 ARG HG2 . 28052 1 165 . 1 . 1 15 15 ARG HG3 H 1 1.79843 0.04 . 2 . . . . . 15 ARG HG3 . 28052 1 166 . 1 . 1 15 15 ARG HD2 H 1 2.80271 0.04 . 2 . . . . . 15 ARG HD2 . 28052 1 167 . 1 . 1 15 15 ARG HD3 H 1 2.83777 0.04 . 2 . . . . . 15 ARG HD3 . 28052 1 168 . 1 . 1 15 15 ARG C C 13 175.89536 0.4 . 1 . . . . . 15 ARG C . 28052 1 169 . 1 . 1 15 15 ARG CA C 13 57.69086 0.4 . 1 . . . . . 15 ARG CA . 28052 1 170 . 1 . 1 15 15 ARG CB C 13 32.87354 0.4 . 1 . . . . . 15 ARG CB . 28052 1 171 . 1 . 1 15 15 ARG CG C 13 27.9833 0.4 . 1 . . . . . 15 ARG CG . 28052 1 172 . 1 . 1 15 15 ARG CD C 13 43.57602 0.4 . 1 . . . . . 15 ARG CD . 28052 1 173 . 1 . 1 15 15 ARG N N 15 117.77647 0.2 . 1 . . . . . 15 ARG N . 28052 1 174 . 1 . 1 16 16 LEU H H 1 7.67841 0.04 . 1 . . . . . 16 LEU H . 28052 1 175 . 1 . 1 16 16 LEU HA H 1 4.93853 0.04 . 1 . . . . . 16 LEU HA . 28052 1 176 . 1 . 1 16 16 LEU HB2 H 1 1.89793 0.04 . 2 . . . . . 16 LEU HB2 . 28052 1 177 . 1 . 1 16 16 LEU HB3 H 1 2.01298 0.04 . 2 . . . . . 16 LEU HB3 . 28052 1 178 . 1 . 1 16 16 LEU HD11 H 1 0.82055 0.04 . 2 . . . . . 16 LEU HD1* . 28052 1 179 . 1 . 1 16 16 LEU HD12 H 1 0.82055 0.04 . 2 . . . . . 16 LEU HD1* . 28052 1 180 . 1 . 1 16 16 LEU HD13 H 1 0.82055 0.04 . 2 . . . . . 16 LEU HD1* . 28052 1 181 . 1 . 1 16 16 LEU HD21 H 1 0.93397 0.04 . 2 . . . . . 16 LEU HD2* . 28052 1 182 . 1 . 1 16 16 LEU HD22 H 1 0.93397 0.04 . 2 . . . . . 16 LEU HD2* . 28052 1 183 . 1 . 1 16 16 LEU HD23 H 1 0.93397 0.04 . 2 . . . . . 16 LEU HD2* . 28052 1 184 . 1 . 1 16 16 LEU C C 13 177.16304 0.4 . 1 . . . . . 16 LEU C . 28052 1 185 . 1 . 1 16 16 LEU CA C 13 53.1399 0.4 . 1 . . . . . 16 LEU CA . 28052 1 186 . 1 . 1 16 16 LEU CB C 13 44.64385 0.4 . 1 . . . . . 16 LEU CB . 28052 1 187 . 1 . 1 16 16 LEU CD1 C 13 27.67189 0.4 . 2 . . . . . 16 LEU CD1 . 28052 1 188 . 1 . 1 16 16 LEU CD2 C 13 21.61271 0.4 . 2 . . . . . 16 LEU CD2 . 28052 1 189 . 1 . 1 16 16 LEU N N 15 118.7083 0.2 . 1 . . . . . 16 LEU N . 28052 1 190 . 1 . 1 17 17 SER H H 1 9.58158 0.04 . 1 . . . . . 17 SER H . 28052 1 191 . 1 . 1 17 17 SER HA H 1 4.55605 0.04 . 1 . . . . . 17 SER HA . 28052 1 192 . 1 . 1 17 17 SER HB2 H 1 3.97559 0.04 . 2 . . . . . 17 SER HB2 . 28052 1 193 . 1 . 1 17 17 SER HB3 H 1 4.38701 0.04 . 2 . . . . . 17 SER HB3 . 28052 1 194 . 1 . 1 17 17 SER CA C 13 57.54924 0.4 . 1 . . . . . 17 SER CA . 28052 1 195 . 1 . 1 17 17 SER CB C 13 64.91729 0.4 . 1 . . . . . 17 SER CB . 28052 1 196 . 1 . 1 17 17 SER N N 15 118.7163 0.2 . 1 . . . . . 17 SER N . 28052 1 197 . 1 . 1 18 18 SER HA H 1 3.95928 0.04 . 1 . . . . . 18 SER HA . 28052 1 198 . 1 . 1 18 18 SER C C 13 177.33871 0.4 . 1 . . . . . 18 SER C . 28052 1 199 . 1 . 1 18 18 SER CA C 13 62.35346 0.4 . 1 . . . . . 18 SER CA . 28052 1 200 . 1 . 1 19 19 GLU H H 1 8.47977 0.04 . 1 . . . . . 19 GLU H . 28052 1 201 . 1 . 1 19 19 GLU HA H 1 4.38869 0.04 . 1 . . . . . 19 GLU HA . 28052 1 202 . 1 . 1 19 19 GLU HB2 H 1 1.83265 0.04 . 2 . . . . . 19 GLU HB2 . 28052 1 203 . 1 . 1 19 19 GLU HB3 H 1 2.00365 0.04 . 2 . . . . . 19 GLU HB3 . 28052 1 204 . 1 . 1 19 19 GLU HG2 H 1 2.22838 0.04 . 2 . . . . . 19 GLU HG2 . 28052 1 205 . 1 . 1 19 19 GLU HG3 H 1 2.38183 0.04 . 2 . . . . . 19 GLU HG3 . 28052 1 206 . 1 . 1 19 19 GLU C C 13 178.28591 0.4 . 1 . . . . . 19 GLU C . 28052 1 207 . 1 . 1 19 19 GLU CA C 13 58.69824 0.4 . 1 . . . . . 19 GLU CA . 28052 1 208 . 1 . 1 19 19 GLU CB C 13 29.80435 0.4 . 1 . . . . . 19 GLU CB . 28052 1 209 . 1 . 1 19 19 GLU CG C 13 35.55457 0.4 . 1 . . . . . 19 GLU CG . 28052 1 210 . 1 . 1 19 19 GLU N N 15 122.25298 0.2 . 1 . . . . . 19 GLU N . 28052 1 211 . 1 . 1 20 20 GLU H H 1 7.53258 0.04 . 1 . . . . . 20 GLU H . 28052 1 212 . 1 . 1 20 20 GLU HA H 1 3.71595 0.04 . 1 . . . . . 20 GLU HA . 28052 1 213 . 1 . 1 20 20 GLU HB2 H 1 1.86493 0.04 . 2 . . . . . 20 GLU HB2 . 28052 1 214 . 1 . 1 20 20 GLU HB3 H 1 2.41344 0.04 . 2 . . . . . 20 GLU HB3 . 28052 1 215 . 1 . 1 20 20 GLU C C 13 178.16727 0.4 . 1 . . . . . 20 GLU C . 28052 1 216 . 1 . 1 20 20 GLU CA C 13 58.82143 0.4 . 1 . . . . . 20 GLU CA . 28052 1 217 . 1 . 1 20 20 GLU CB C 13 31.04225 0.4 . 1 . . . . . 20 GLU CB . 28052 1 218 . 1 . 1 20 20 GLU N N 15 117.36856 0.2 . 1 . . . . . 20 GLU N . 28052 1 219 . 1 . 1 21 21 TYR H H 1 9.04476 0.04 . 1 . . . . . 21 TYR H . 28052 1 220 . 1 . 1 21 21 TYR HA H 1 3.52182 0.04 . 1 . . . . . 21 TYR HA . 28052 1 221 . 1 . 1 21 21 TYR HB2 H 1 2.93298 0.04 . 2 . . . . . 21 TYR HB2 . 28052 1 222 . 1 . 1 21 21 TYR HB3 H 1 3.02364 0.04 . 2 . . . . . 21 TYR HB3 . 28052 1 223 . 1 . 1 21 21 TYR HD1 H 1 6.74873 0.04 . 3 . . . . . 21 TYR HD* . 28052 1 224 . 1 . 1 21 21 TYR HD2 H 1 6.74873 0.04 . 3 . . . . . 21 TYR HD* . 28052 1 225 . 1 . 1 21 21 TYR C C 13 177.27942 0.4 . 1 . . . . . 21 TYR C . 28052 1 226 . 1 . 1 21 21 TYR CA C 13 63.25848 0.4 . 1 . . . . . 21 TYR CA . 28052 1 227 . 1 . 1 21 21 TYR CB C 13 38.96748 0.4 . 1 . . . . . 21 TYR CB . 28052 1 228 . 1 . 1 21 21 TYR CD1 C 13 132.26264 0.4 . 3 . . . . . 21 TYR CD* . 28052 1 229 . 1 . 1 21 21 TYR CD2 C 13 132.26264 0.4 . 3 . . . . . 21 TYR CD* . 28052 1 230 . 1 . 1 21 21 TYR N N 15 118.75141 0.2 . 1 . . . . . 21 TYR N . 28052 1 231 . 1 . 1 22 22 ARG H H 1 7.95912 0.04 . 1 . . . . . 22 ARG H . 28052 1 232 . 1 . 1 22 22 ARG HA H 1 4.01351 0.04 . 1 . . . . . 22 ARG HA . 28052 1 233 . 1 . 1 22 22 ARG HB2 H 1 1.95302 0.04 . 1 . . . . . 22 ARG HB2 . 28052 1 234 . 1 . 1 22 22 ARG HB3 H 1 1.95302 0.04 . 1 . . . . . 22 ARG HB3 . 28052 1 235 . 1 . 1 22 22 ARG HG2 H 1 1.37529 0.04 . 2 . . . . . 22 ARG HG2 . 28052 1 236 . 1 . 1 22 22 ARG HG3 H 1 1.67478 0.04 . 2 . . . . . 22 ARG HG3 . 28052 1 237 . 1 . 1 22 22 ARG HD2 H 1 3.05593 0.04 . 2 . . . . . 22 ARG HD2 . 28052 1 238 . 1 . 1 22 22 ARG HD3 H 1 3.37815 0.04 . 2 . . . . . 22 ARG HD3 . 28052 1 239 . 1 . 1 22 22 ARG C C 13 177.51438 0.4 . 1 . . . . . 22 ARG C . 28052 1 240 . 1 . 1 22 22 ARG CA C 13 58.85923 0.4 . 1 . . . . . 22 ARG CA . 28052 1 241 . 1 . 1 22 22 ARG CB C 13 30.88307 0.4 . 1 . . . . . 22 ARG CB . 28052 1 242 . 1 . 1 22 22 ARG CG C 13 27.59367 0.4 . 1 . . . . . 22 ARG CG . 28052 1 243 . 1 . 1 22 22 ARG CD C 13 43.21563 0.4 . 1 . . . . . 22 ARG CD . 28052 1 244 . 1 . 1 22 22 ARG N N 15 119.42395 0.2 . 1 . . . . . 22 ARG N . 28052 1 245 . 1 . 1 23 23 VAL H H 1 7.33784 0.04 . 1 . . . . . 23 VAL H . 28052 1 246 . 1 . 1 23 23 VAL HA H 1 3.31776 0.04 . 1 . . . . . 23 VAL HA . 28052 1 247 . 1 . 1 23 23 VAL HB H 1 1.70333 0.04 . 1 . . . . . 23 VAL HB . 28052 1 248 . 1 . 1 23 23 VAL HG11 H 1 0.61044 0.04 . 2 . . . . . 23 VAL HG1* . 28052 1 249 . 1 . 1 23 23 VAL HG12 H 1 0.61044 0.04 . 2 . . . . . 23 VAL HG1* . 28052 1 250 . 1 . 1 23 23 VAL HG13 H 1 0.61044 0.04 . 2 . . . . . 23 VAL HG1* . 28052 1 251 . 1 . 1 23 23 VAL HG21 H 1 0.74832 0.04 . 2 . . . . . 23 VAL HG2* . 28052 1 252 . 1 . 1 23 23 VAL HG22 H 1 0.74832 0.04 . 2 . . . . . 23 VAL HG2* . 28052 1 253 . 1 . 1 23 23 VAL HG23 H 1 0.74832 0.04 . 2 . . . . . 23 VAL HG2* . 28052 1 254 . 1 . 1 23 23 VAL C C 13 176.29502 0.4 . 1 . . . . . 23 VAL C . 28052 1 255 . 1 . 1 23 23 VAL CA C 13 65.79722 0.4 . 1 . . . . . 23 VAL CA . 28052 1 256 . 1 . 1 23 23 VAL CB C 13 32.32281 0.4 . 1 . . . . . 23 VAL CB . 28052 1 257 . 1 . 1 23 23 VAL CG1 C 13 22.35687 0.4 . 2 . . . . . 23 VAL CG1 . 28052 1 258 . 1 . 1 23 23 VAL CG2 C 13 23.98576 0.4 . 2 . . . . . 23 VAL CG2 . 28052 1 259 . 1 . 1 23 23 VAL N N 15 116.64842 0.2 . 1 . . . . . 23 VAL N . 28052 1 260 . 1 . 1 24 24 LEU H H 1 8.5006 0.04 . 1 . . . . . 24 LEU H . 28052 1 261 . 1 . 1 24 24 LEU HA H 1 4.59385 0.04 . 1 . . . . . 24 LEU HA . 28052 1 262 . 1 . 1 24 24 LEU HB2 H 1 0.95896 0.04 . 2 . . . . . 24 LEU HB2 . 28052 1 263 . 1 . 1 24 24 LEU HB3 H 1 1.65393 0.04 . 2 . . . . . 24 LEU HB3 . 28052 1 264 . 1 . 1 24 24 LEU HG H 1 1.97076 0.04 . 1 . . . . . 24 LEU HG . 28052 1 265 . 1 . 1 24 24 LEU HD11 H 1 0.78314 0.04 . 2 . . . . . 24 LEU HD1* . 28052 1 266 . 1 . 1 24 24 LEU HD12 H 1 0.78314 0.04 . 2 . . . . . 24 LEU HD1* . 28052 1 267 . 1 . 1 24 24 LEU HD13 H 1 0.78314 0.04 . 2 . . . . . 24 LEU HD1* . 28052 1 268 . 1 . 1 24 24 LEU HD21 H 1 1.01409 0.04 . 2 . . . . . 24 LEU HD2* . 28052 1 269 . 1 . 1 24 24 LEU HD22 H 1 1.01409 0.04 . 2 . . . . . 24 LEU HD2* . 28052 1 270 . 1 . 1 24 24 LEU HD23 H 1 1.01409 0.04 . 2 . . . . . 24 LEU HD2* . 28052 1 271 . 1 . 1 24 24 LEU C C 13 179.00893 0.4 . 1 . . . . . 24 LEU C . 28052 1 272 . 1 . 1 24 24 LEU CA C 13 58.05017 0.4 . 1 . . . . . 24 LEU CA . 28052 1 273 . 1 . 1 24 24 LEU CB C 13 42.32506 0.4 . 1 . . . . . 24 LEU CB . 28052 1 274 . 1 . 1 24 24 LEU CG C 13 28.53162 0.4 . 1 . . . . . 24 LEU CG . 28052 1 275 . 1 . 1 24 24 LEU CD1 C 13 26.58347 0.4 . 2 . . . . . 24 LEU CD1 . 28052 1 276 . 1 . 1 24 24 LEU CD2 C 13 25.02695 0.4 . 2 . . . . . 24 LEU CD2 . 28052 1 277 . 1 . 1 24 24 LEU N N 15 115.56836 0.2 . 1 . . . . . 24 LEU N . 28052 1 278 . 1 . 1 25 25 ARG H H 1 7.92792 0.04 . 1 . . . . . 25 ARG H . 28052 1 279 . 1 . 1 25 25 ARG HA H 1 4.36258 0.04 . 1 . . . . . 25 ARG HA . 28052 1 280 . 1 . 1 25 25 ARG HB2 H 1 0.48899 0.04 . 2 . . . . . 25 ARG HB2 . 28052 1 281 . 1 . 1 25 25 ARG HB3 H 1 1.35778 0.04 . 2 . . . . . 25 ARG HB3 . 28052 1 282 . 1 . 1 25 25 ARG C C 13 178.00804 0.4 . 1 . . . . . 25 ARG C . 28052 1 283 . 1 . 1 25 25 ARG CA C 13 52.57104 0.4 . 1 . . . . . 25 ARG CA . 28052 1 284 . 1 . 1 25 25 ARG CB C 13 26.36534 0.4 . 1 . . . . . 25 ARG CB . 28052 1 285 . 1 . 1 25 25 ARG N N 15 110.12969 0.2 . 1 . . . . . 25 ARG N . 28052 1 286 . 1 . 1 26 26 GLU H H 1 6.6334 0.04 . 1 . . . . . 26 GLU H . 28052 1 287 . 1 . 1 26 26 GLU HA H 1 4.35294 0.04 . 1 . . . . . 26 GLU HA . 28052 1 288 . 1 . 1 26 26 GLU HB2 H 1 2.11699 0.04 . 2 . . . . . 26 GLU HB2 . 28052 1 289 . 1 . 1 26 26 GLU HB3 H 1 2.33203 0.04 . 2 . . . . . 26 GLU HB3 . 28052 1 290 . 1 . 1 26 26 GLU HG2 H 1 1.92 0.04 . 2 . . . . . 26 GLU HG2 . 28052 1 291 . 1 . 1 26 26 GLU HG3 H 1 1.9481 0.04 . 2 . . . . . 26 GLU HG3 . 28052 1 292 . 1 . 1 26 26 GLU C C 13 175.93647 0.4 . 1 . . . . . 26 GLU C . 28052 1 293 . 1 . 1 26 26 GLU CA C 13 55.5458 0.4 . 1 . . . . . 26 GLU CA . 28052 1 294 . 1 . 1 26 26 GLU CB C 13 29.45883 0.4 . 1 . . . . . 26 GLU CB . 28052 1 295 . 1 . 1 26 26 GLU CG C 13 37.35253 0.4 . 1 . . . . . 26 GLU CG . 28052 1 296 . 1 . 1 26 26 GLU N N 15 116.12666 0.2 . 1 . . . . . 26 GLU N . 28052 1 297 . 1 . 1 27 27 ALA H H 1 7.0375 0.04 . 1 . . . . . 27 ALA H . 28052 1 298 . 1 . 1 27 27 ALA HA H 1 3.44433 0.04 . 1 . . . . . 27 ALA HA . 28052 1 299 . 1 . 1 27 27 ALA HB1 H 1 0.81202 0.04 . 1 . . . . . 27 ALA HB* . 28052 1 300 . 1 . 1 27 27 ALA HB2 H 1 0.81202 0.04 . 1 . . . . . 27 ALA HB* . 28052 1 301 . 1 . 1 27 27 ALA HB3 H 1 0.81202 0.04 . 1 . . . . . 27 ALA HB* . 28052 1 302 . 1 . 1 27 27 ALA C C 13 176.82584 0.4 . 1 . . . . . 27 ALA C . 28052 1 303 . 1 . 1 27 27 ALA CA C 13 52.9716 0.4 . 1 . . . . . 27 ALA CA . 28052 1 304 . 1 . 1 27 27 ALA CB C 13 15.47889 0.4 . 1 . . . . . 27 ALA CB . 28052 1 305 . 1 . 1 27 27 ALA N N 15 118.30724 0.2 . 1 . . . . . 27 ALA N . 28052 1 306 . 1 . 1 28 28 GLY H H 1 8.29914 0.04 . 1 . . . . . 28 GLY H . 28052 1 307 . 1 . 1 28 28 GLY HA2 H 1 3.2007 0.04 . 2 . . . . . 28 GLY HA2 . 28052 1 308 . 1 . 1 28 28 GLY HA3 H 1 4.05599 0.04 . 2 . . . . . 28 GLY HA3 . 28052 1 309 . 1 . 1 28 28 GLY C C 13 169.64897 0.4 . 1 . . . . . 28 GLY C . 28052 1 310 . 1 . 1 28 28 GLY CA C 13 44.82341 0.4 . 1 . . . . . 28 GLY CA . 28052 1 311 . 1 . 1 28 28 GLY N N 15 105.46355 0.2 . 1 . . . . . 28 GLY N . 28052 1 312 . 1 . 1 29 29 THR H H 1 7.7891 0.04 . 1 . . . . . 29 THR H . 28052 1 313 . 1 . 1 29 29 THR HA H 1 4.56556 0.04 . 1 . . . . . 29 THR HA . 28052 1 314 . 1 . 1 29 29 THR HB H 1 3.74945 0.04 . 1 . . . . . 29 THR HB . 28052 1 315 . 1 . 1 29 29 THR C C 13 175.07007 0.4 . 1 . . . . . 29 THR C . 28052 1 316 . 1 . 1 29 29 THR CA C 13 61.51007 0.4 . 1 . . . . . 29 THR CA . 28052 1 317 . 1 . 1 29 29 THR CB C 13 72.49284 0.4 . 1 . . . . . 29 THR CB . 28052 1 318 . 1 . 1 29 29 THR N N 15 110.33369 0.2 . 1 . . . . . 29 THR N . 28052 1 319 . 1 . 1 30 30 GLU H H 1 8.67431 0.04 . 1 . . . . . 30 GLU H . 28052 1 320 . 1 . 1 30 30 GLU HA H 1 4.25186 0.04 . 1 . . . . . 30 GLU HA . 28052 1 321 . 1 . 1 30 30 GLU HB2 H 1 2.05601 0.04 . 2 . . . . . 30 GLU HB2 . 28052 1 322 . 1 . 1 30 30 GLU HB3 H 1 2.23879 0.04 . 2 . . . . . 30 GLU HB3 . 28052 1 323 . 1 . 1 30 30 GLU HG2 H 1 2.3599 0.04 . 2 . . . . . 30 GLU HG2 . 28052 1 324 . 1 . 1 30 30 GLU HG3 H 1 2.73019 0.04 . 2 . . . . . 30 GLU HG3 . 28052 1 325 . 1 . 1 30 30 GLU C C 13 175.67285 0.4 . 1 . . . . . 30 GLU C . 28052 1 326 . 1 . 1 30 30 GLU CA C 13 55.48179 0.4 . 1 . . . . . 30 GLU CA . 28052 1 327 . 1 . 1 30 30 GLU CB C 13 31.17459 0.4 . 1 . . . . . 30 GLU CB . 28052 1 328 . 1 . 1 30 30 GLU CG C 13 36.26406 0.4 . 1 . . . . . 30 GLU CG . 28052 1 329 . 1 . 1 30 30 GLU N N 15 130.45923 0.2 . 1 . . . . . 30 GLU N . 28052 1 330 . 1 . 1 31 31 ALA H H 1 8.79741 0.04 . 1 . . . . . 31 ALA H . 28052 1 331 . 1 . 1 31 31 ALA HA H 1 4.44794 0.04 . 1 . . . . . 31 ALA HA . 28052 1 332 . 1 . 1 31 31 ALA HB1 H 1 1.33719 0.04 . 1 . . . . . 31 ALA HB* . 28052 1 333 . 1 . 1 31 31 ALA HB2 H 1 1.33719 0.04 . 1 . . . . . 31 ALA HB* . 28052 1 334 . 1 . 1 31 31 ALA HB3 H 1 1.33719 0.04 . 1 . . . . . 31 ALA HB* . 28052 1 335 . 1 . 1 31 31 ALA C C 13 175.85305 0.4 . 1 . . . . . 31 ALA C . 28052 1 336 . 1 . 1 31 31 ALA CA C 13 51.29372 0.4 . 1 . . . . . 31 ALA CA . 28052 1 337 . 1 . 1 31 31 ALA CB C 13 16.76401 0.4 . 1 . . . . . 31 ALA CB . 28052 1 338 . 1 . 1 31 31 ALA N N 15 128.11921 0.2 . 1 . . . . . 31 ALA N . 28052 1 339 . 1 . 1 32 32 PRO HA H 1 2.82272 0.04 . 1 . . . . . 32 PRO HA . 28052 1 340 . 1 . 1 32 32 PRO HB2 H 1 0.74727 0.04 . 2 . . . . . 32 PRO HB2 . 28052 1 341 . 1 . 1 32 32 PRO HB3 H 1 0.98127 0.04 . 2 . . . . . 32 PRO HB3 . 28052 1 342 . 1 . 1 32 32 PRO HG2 H 1 1.81503 0.04 . 2 . . . . . 32 PRO HG2 . 28052 1 343 . 1 . 1 32 32 PRO HG3 H 1 1.89483 0.04 . 2 . . . . . 32 PRO HG3 . 28052 1 344 . 1 . 1 32 32 PRO HD2 H 1 3.52726 0.04 . 2 . . . . . 32 PRO HD2 . 28052 1 345 . 1 . 1 32 32 PRO HD3 H 1 3.67186 0.04 . 2 . . . . . 32 PRO HD3 . 28052 1 346 . 1 . 1 32 32 PRO C C 13 176.44639 0.4 . 1 . . . . . 32 PRO C . 28052 1 347 . 1 . 1 32 32 PRO CA C 13 62.41858 0.4 . 1 . . . . . 32 PRO CA . 28052 1 348 . 1 . 1 32 32 PRO CB C 13 30.68121 0.4 . 1 . . . . . 32 PRO CB . 28052 1 349 . 1 . 1 32 32 PRO CG C 13 26.85766 0.4 . 1 . . . . . 32 PRO CG . 28052 1 350 . 1 . 1 32 32 PRO CD C 13 50.36898 0.4 . 1 . . . . . 32 PRO CD . 28052 1 351 . 1 . 1 33 33 HIS H H 1 8.97537 0.04 . 1 . . . . . 33 HIS H . 28052 1 352 . 1 . 1 33 33 HIS HA H 1 3.71128 0.04 . 1 . . . . . 33 HIS HA . 28052 1 353 . 1 . 1 33 33 HIS HB2 H 1 2.99706 0.04 . 2 . . . . . 33 HIS HB2 . 28052 1 354 . 1 . 1 33 33 HIS HB3 H 1 3.28624 0.04 . 2 . . . . . 33 HIS HB3 . 28052 1 355 . 1 . 1 33 33 HIS HD2 H 1 6.65637 0.04 . 1 . . . . . 33 HIS HD2 . 28052 1 356 . 1 . 1 33 33 HIS C C 13 176.06965 0.4 . 1 . . . . . 33 HIS C . 28052 1 357 . 1 . 1 33 33 HIS CA C 13 58.87891 0.4 . 1 . . . . . 33 HIS CA . 28052 1 358 . 1 . 1 33 33 HIS CB C 13 28.02709 0.4 . 1 . . . . . 33 HIS CB . 28052 1 359 . 1 . 1 33 33 HIS CD2 C 13 118.95739 0.4 . 1 . . . . . 33 HIS CD2 . 28052 1 360 . 1 . 1 33 33 HIS N N 15 112.33969 0.2 . 1 . . . . . 33 HIS N . 28052 1 361 . 1 . 1 34 34 THR H H 1 7.41942 0.04 . 1 . . . . . 34 THR H . 28052 1 362 . 1 . 1 34 34 THR HA H 1 4.40051 0.04 . 1 . . . . . 34 THR HA . 28052 1 363 . 1 . 1 34 34 THR HB H 1 4.18014 0.04 . 1 . . . . . 34 THR HB . 28052 1 364 . 1 . 1 34 34 THR HG21 H 1 1.05276 0.04 . 1 . . . . . 34 THR HG2* . 28052 1 365 . 1 . 1 34 34 THR HG22 H 1 1.05276 0.04 . 1 . . . . . 34 THR HG2* . 28052 1 366 . 1 . 1 34 34 THR HG23 H 1 1.05276 0.04 . 1 . . . . . 34 THR HG2* . 28052 1 367 . 1 . 1 34 34 THR C C 13 175.82465 0.4 . 1 . . . . . 34 THR C . 28052 1 368 . 1 . 1 34 34 THR CA C 13 62.15056 0.4 . 1 . . . . . 34 THR CA . 28052 1 369 . 1 . 1 34 34 THR CB C 13 70.84991 0.4 . 1 . . . . . 34 THR CB . 28052 1 370 . 1 . 1 34 34 THR CG2 C 13 21.46584 0.4 . 1 . . . . . 34 THR CG2 . 28052 1 371 . 1 . 1 34 34 THR N N 15 106.83687 0.2 . 1 . . . . . 34 THR N . 28052 1 372 . 1 . 1 35 35 GLY H H 1 8.45649 0.04 . 1 . . . . . 35 GLY H . 28052 1 373 . 1 . 1 35 35 GLY HA2 H 1 3.76682 0.04 . 2 . . . . . 35 GLY HA2 . 28052 1 374 . 1 . 1 35 35 GLY HA3 H 1 4.07257 0.04 . 2 . . . . . 35 GLY HA3 . 28052 1 375 . 1 . 1 35 35 GLY C C 13 176.1435 0.4 . 1 . . . . . 35 GLY C . 28052 1 376 . 1 . 1 35 35 GLY CA C 13 45.32275 0.4 . 1 . . . . . 35 GLY CA . 28052 1 377 . 1 . 1 35 35 GLY N N 15 111.12251 0.2 . 1 . . . . . 35 GLY N . 28052 1 378 . 1 . 1 36 36 GLU H H 1 8.85347 0.04 . 1 . . . . . 36 GLU H . 28052 1 379 . 1 . 1 36 36 GLU HA H 1 3.92476 0.04 . 1 . . . . . 36 GLU HA . 28052 1 380 . 1 . 1 36 36 GLU HB2 H 1 1.27008 0.04 . 2 . . . . . 36 GLU HB2 . 28052 1 381 . 1 . 1 36 36 GLU HB3 H 1 1.75436 0.04 . 2 . . . . . 36 GLU HB3 . 28052 1 382 . 1 . 1 36 36 GLU HG2 H 1 1.47362 0.04 . 2 . . . . . 36 GLU HG2 . 28052 1 383 . 1 . 1 36 36 GLU HG3 H 1 1.54703 0.04 . 2 . . . . . 36 GLU HG3 . 28052 1 384 . 1 . 1 36 36 GLU C C 13 177.90399 0.4 . 1 . . . . . 36 GLU C . 28052 1 385 . 1 . 1 36 36 GLU CA C 13 59.04598 0.4 . 1 . . . . . 36 GLU CA . 28052 1 386 . 1 . 1 36 36 GLU CB C 13 30.17836 0.4 . 1 . . . . . 36 GLU CB . 28052 1 387 . 1 . 1 36 36 GLU CG C 13 34.85848 0.4 . 1 . . . . . 36 GLU CG . 28052 1 388 . 1 . 1 36 36 GLU N N 15 123.77641 0.2 . 1 . . . . . 36 GLU N . 28052 1 389 . 1 . 1 37 37 TYR H H 1 7.95767 0.04 . 1 . . . . . 37 TYR H . 28052 1 390 . 1 . 1 37 37 TYR HA H 1 6.14902 0.04 . 1 . . . . . 37 TYR HA . 28052 1 391 . 1 . 1 37 37 TYR HB2 H 1 2.49395 0.04 . 2 . . . . . 37 TYR HB2 . 28052 1 392 . 1 . 1 37 37 TYR HB3 H 1 3.58533 0.04 . 2 . . . . . 37 TYR HB3 . 28052 1 393 . 1 . 1 37 37 TYR HD1 H 1 7.36228 0.04 . 3 . . . . . 37 TYR HD* . 28052 1 394 . 1 . 1 37 37 TYR HD2 H 1 7.36228 0.04 . 3 . . . . . 37 TYR HD* . 28052 1 395 . 1 . 1 37 37 TYR C C 13 177.88896 0.4 . 1 . . . . . 37 TYR C . 28052 1 396 . 1 . 1 37 37 TYR CA C 13 55.89235 0.4 . 1 . . . . . 37 TYR CA . 28052 1 397 . 1 . 1 37 37 TYR CB C 13 38.68326 0.4 . 1 . . . . . 37 TYR CB . 28052 1 398 . 1 . 1 37 37 TYR CD1 C 13 132.41965 0.4 . 3 . . . . . 37 TYR CD* . 28052 1 399 . 1 . 1 37 37 TYR CD2 C 13 132.41965 0.4 . 3 . . . . . 37 TYR CD* . 28052 1 400 . 1 . 1 37 37 TYR N N 15 112.32756 0.2 . 1 . . . . . 37 TYR N . 28052 1 401 . 1 . 1 38 38 THR H H 1 7.42458 0.04 . 1 . . . . . 38 THR H . 28052 1 402 . 1 . 1 38 38 THR HA H 1 2.92668 0.04 . 1 . . . . . 38 THR HA . 28052 1 403 . 1 . 1 38 38 THR HB H 1 3.74254 0.04 . 1 . . . . . 38 THR HB . 28052 1 404 . 1 . 1 38 38 THR HG21 H 1 0.65211 0.04 . 1 . . . . . 38 THR HG2* . 28052 1 405 . 1 . 1 38 38 THR HG22 H 1 0.65211 0.04 . 1 . . . . . 38 THR HG2* . 28052 1 406 . 1 . 1 38 38 THR HG23 H 1 0.65211 0.04 . 1 . . . . . 38 THR HG2* . 28052 1 407 . 1 . 1 38 38 THR CA C 13 68.37349 0.4 . 1 . . . . . 38 THR CA . 28052 1 408 . 1 . 1 38 38 THR CB C 13 67.7301 0.4 . 1 . . . . . 38 THR CB . 28052 1 409 . 1 . 1 38 38 THR CG2 C 13 22.36283 0.4 . 1 . . . . . 38 THR CG2 . 28052 1 410 . 1 . 1 38 38 THR N N 15 118.86989 0.2 . 1 . . . . . 38 THR N . 28052 1 411 . 1 . 1 41 41 THR HA H 1 4.62215 0.04 . 1 . . . . . 41 THR HA . 28052 1 412 . 1 . 1 41 41 THR HB H 1 4.47544 0.04 . 1 . . . . . 41 THR HB . 28052 1 413 . 1 . 1 41 41 THR HG21 H 1 1.12698 0.04 . 1 . . . . . 41 THR HG2* . 28052 1 414 . 1 . 1 41 41 THR HG22 H 1 1.12698 0.04 . 1 . . . . . 41 THR HG2* . 28052 1 415 . 1 . 1 41 41 THR HG23 H 1 1.12698 0.04 . 1 . . . . . 41 THR HG2* . 28052 1 416 . 1 . 1 41 41 THR C C 13 174.22631 0.4 . 1 . . . . . 41 THR C . 28052 1 417 . 1 . 1 41 41 THR CA C 13 60.94222 0.4 . 1 . . . . . 41 THR CA . 28052 1 418 . 1 . 1 41 41 THR CB C 13 69.72685 0.4 . 1 . . . . . 41 THR CB . 28052 1 419 . 1 . 1 41 41 THR CG2 C 13 21.2686 0.4 . 1 . . . . . 41 THR CG2 . 28052 1 420 . 1 . 1 42 42 THR H H 1 7.15874 0.04 . 1 . . . . . 42 THR H . 28052 1 421 . 1 . 1 42 42 THR HA H 1 3.81812 0.04 . 1 . . . . . 42 THR HA . 28052 1 422 . 1 . 1 42 42 THR HB H 1 3.5508 0.04 . 1 . . . . . 42 THR HB . 28052 1 423 . 1 . 1 42 42 THR HG21 H 1 1.23218 0.04 . 1 . . . . . 42 THR HG2* . 28052 1 424 . 1 . 1 42 42 THR HG22 H 1 1.23218 0.04 . 1 . . . . . 42 THR HG2* . 28052 1 425 . 1 . 1 42 42 THR HG23 H 1 1.23218 0.04 . 1 . . . . . 42 THR HG2* . 28052 1 426 . 1 . 1 42 42 THR C C 13 172.79649 0.4 . 1 . . . . . 42 THR C . 28052 1 427 . 1 . 1 42 42 THR CA C 13 63.46922 0.4 . 1 . . . . . 42 THR CA . 28052 1 428 . 1 . 1 42 42 THR CB C 13 70.31949 0.4 . 1 . . . . . 42 THR CB . 28052 1 429 . 1 . 1 42 42 THR CG2 C 13 21.38999 0.4 . 1 . . . . . 42 THR CG2 . 28052 1 430 . 1 . 1 42 42 THR N N 15 120.38449 0.2 . 1 . . . . . 42 THR N . 28052 1 431 . 1 . 1 43 43 GLU H H 1 8.74951 0.04 . 1 . . . . . 43 GLU H . 28052 1 432 . 1 . 1 43 43 GLU HA H 1 4.25656 0.04 . 1 . . . . . 43 GLU HA . 28052 1 433 . 1 . 1 43 43 GLU C C 13 177.05535 0.4 . 1 . . . . . 43 GLU C . 28052 1 434 . 1 . 1 43 43 GLU CA C 13 56.16165 0.4 . 1 . . . . . 43 GLU CA . 28052 1 435 . 1 . 1 43 43 GLU N N 15 126.73429 0.2 . 1 . . . . . 43 GLU N . 28052 1 436 . 1 . 1 44 44 GLY H H 1 8.55472 0.04 . 1 . . . . . 44 GLY H . 28052 1 437 . 1 . 1 44 44 GLY HA2 H 1 3.84873 0.04 . 2 . . . . . 44 GLY HA2 . 28052 1 438 . 1 . 1 44 44 GLY HA3 H 1 4.32719 0.04 . 2 . . . . . 44 GLY HA3 . 28052 1 439 . 1 . 1 44 44 GLY C C 13 170.43546 0.4 . 1 . . . . . 44 GLY C . 28052 1 440 . 1 . 1 44 44 GLY CA C 13 45.74127 0.4 . 1 . . . . . 44 GLY CA . 28052 1 441 . 1 . 1 44 44 GLY N N 15 109.6707 0.2 . 1 . . . . . 44 GLY N . 28052 1 442 . 1 . 1 45 45 ILE H H 1 7.81147 0.04 . 1 . . . . . 45 ILE H . 28052 1 443 . 1 . 1 45 45 ILE HA H 1 4.49755 0.04 . 1 . . . . . 45 ILE HA . 28052 1 444 . 1 . 1 45 45 ILE HB H 1 1.63584 0.04 . 1 . . . . . 45 ILE HB . 28052 1 445 . 1 . 1 45 45 ILE HG12 H 1 1.04549 0.04 . 2 . . . . . 45 ILE HG12 . 28052 1 446 . 1 . 1 45 45 ILE HG13 H 1 1.46684 0.04 . 2 . . . . . 45 ILE HG13 . 28052 1 447 . 1 . 1 45 45 ILE HG21 H 1 0.7374 0.04 . 1 . . . . . 45 ILE HG2* . 28052 1 448 . 1 . 1 45 45 ILE HG22 H 1 0.7374 0.04 . 1 . . . . . 45 ILE HG2* . 28052 1 449 . 1 . 1 45 45 ILE HG23 H 1 0.7374 0.04 . 1 . . . . . 45 ILE HG2* . 28052 1 450 . 1 . 1 45 45 ILE HD11 H 1 0.74211 0.04 . 1 . . . . . 45 ILE HD1* . 28052 1 451 . 1 . 1 45 45 ILE HD12 H 1 0.74211 0.04 . 1 . . . . . 45 ILE HD1* . 28052 1 452 . 1 . 1 45 45 ILE HD13 H 1 0.74211 0.04 . 1 . . . . . 45 ILE HD1* . 28052 1 453 . 1 . 1 45 45 ILE C C 13 173.6664 0.4 . 1 . . . . . 45 ILE C . 28052 1 454 . 1 . 1 45 45 ILE CA C 13 58.96406 0.4 . 1 . . . . . 45 ILE CA . 28052 1 455 . 1 . 1 45 45 ILE CB C 13 41.31428 0.4 . 1 . . . . . 45 ILE CB . 28052 1 456 . 1 . 1 45 45 ILE CG1 C 13 28.08789 0.4 . 1 . . . . . 45 ILE CG1 . 28052 1 457 . 1 . 1 45 45 ILE CG2 C 13 17.22453 0.4 . 1 . . . . . 45 ILE CG2 . 28052 1 458 . 1 . 1 45 45 ILE CD1 C 13 12.37047 0.4 . 1 . . . . . 45 ILE CD1 . 28052 1 459 . 1 . 1 45 45 ILE N N 15 120.44877 0.2 . 1 . . . . . 45 ILE N . 28052 1 460 . 1 . 1 46 46 TYR H H 1 9.42795 0.04 . 1 . . . . . 46 TYR H . 28052 1 461 . 1 . 1 46 46 TYR HA H 1 4.84216 0.04 . 1 . . . . . 46 TYR HA . 28052 1 462 . 1 . 1 46 46 TYR HB2 H 1 2.57417 0.04 . 2 . . . . . 46 TYR HB2 . 28052 1 463 . 1 . 1 46 46 TYR HB3 H 1 2.65492 0.04 . 2 . . . . . 46 TYR HB3 . 28052 1 464 . 1 . 1 46 46 TYR HD1 H 1 6.41986 0.04 . 3 . . . . . 46 TYR HD* . 28052 1 465 . 1 . 1 46 46 TYR HD2 H 1 6.41986 0.04 . 3 . . . . . 46 TYR HD* . 28052 1 466 . 1 . 1 46 46 TYR C C 13 175.0504 0.4 . 1 . . . . . 46 TYR C . 28052 1 467 . 1 . 1 46 46 TYR CA C 13 57.09048 0.4 . 1 . . . . . 46 TYR CA . 28052 1 468 . 1 . 1 46 46 TYR CB C 13 39.65789 0.4 . 1 . . . . . 46 TYR CB . 28052 1 469 . 1 . 1 46 46 TYR CD1 C 13 132.9379 0.4 . 3 . . . . . 46 TYR CD* . 28052 1 470 . 1 . 1 46 46 TYR CD2 C 13 132.9379 0.4 . 3 . . . . . 46 TYR CD* . 28052 1 471 . 1 . 1 46 46 TYR N N 15 124.49934 0.2 . 1 . . . . . 46 TYR N . 28052 1 472 . 1 . 1 47 47 SER H H 1 9.30705 0.04 . 1 . . . . . 47 SER H . 28052 1 473 . 1 . 1 47 47 SER HA H 1 5.04352 0.04 . 1 . . . . . 47 SER HA . 28052 1 474 . 1 . 1 47 47 SER HB2 H 1 3.3904 0.04 . 2 . . . . . 47 SER HB2 . 28052 1 475 . 1 . 1 47 47 SER HB3 H 1 3.29279 0.04 . 2 . . . . . 47 SER HB3 . 28052 1 476 . 1 . 1 47 47 SER C C 13 172.34587 0.4 . 1 . . . . . 47 SER C . 28052 1 477 . 1 . 1 47 47 SER CA C 13 55.95865 0.4 . 1 . . . . . 47 SER CA . 28052 1 478 . 1 . 1 47 47 SER CB C 13 66.6003 0.4 . 1 . . . . . 47 SER CB . 28052 1 479 . 1 . 1 47 47 SER N N 15 122.17921 0.2 . 1 . . . . . 47 SER N . 28052 1 480 . 1 . 1 48 48 CYS H H 1 8.92919 0.04 . 1 . . . . . 48 CYS H . 28052 1 481 . 1 . 1 48 48 CYS HA H 1 4.1778 0.04 . 1 . . . . . 48 CYS HA . 28052 1 482 . 1 . 1 48 48 CYS HB2 H 1 2.85176 0.04 . 2 . . . . . 48 CYS HB2 . 28052 1 483 . 1 . 1 48 48 CYS HB3 H 1 3.0552 0.04 . 2 . . . . . 48 CYS HB3 . 28052 1 484 . 1 . 1 48 48 CYS C C 13 178.80012 0.4 . 1 . . . . . 48 CYS C . 28052 1 485 . 1 . 1 48 48 CYS CA C 13 60.03701 0.4 . 1 . . . . . 48 CYS CA . 28052 1 486 . 1 . 1 48 48 CYS CB C 13 31.7116 0.4 . 1 . . . . . 48 CYS CB . 28052 1 487 . 1 . 1 48 48 CYS N N 15 123.37284 0.2 . 1 . . . . . 48 CYS N . 28052 1 488 . 1 . 1 49 49 ARG H H 1 9.25929 0.04 . 1 . . . . . 49 ARG H . 28052 1 489 . 1 . 1 49 49 ARG HA H 1 3.86961 0.04 . 1 . . . . . 49 ARG HA . 28052 1 490 . 1 . 1 49 49 ARG HB2 H 1 1.53126 0.04 . 1 . . . . . 49 ARG HB2 . 28052 1 491 . 1 . 1 49 49 ARG HB3 H 1 1.53126 0.04 . 1 . . . . . 49 ARG HB3 . 28052 1 492 . 1 . 1 49 49 ARG C C 13 175.99874 0.4 . 1 . . . . . 49 ARG C . 28052 1 493 . 1 . 1 49 49 ARG CA C 13 57.16891 0.4 . 1 . . . . . 49 ARG CA . 28052 1 494 . 1 . 1 49 49 ARG CB C 13 30.05596 0.4 . 1 . . . . . 49 ARG CB . 28052 1 495 . 1 . 1 49 49 ARG N N 15 133.41699 0.2 . 1 . . . . . 49 ARG N . 28052 1 496 . 1 . 1 50 50 ALA H H 1 8.61793 0.04 . 1 . . . . . 50 ALA H . 28052 1 497 . 1 . 1 50 50 ALA HA H 1 4.18763 0.04 . 1 . . . . . 50 ALA HA . 28052 1 498 . 1 . 1 50 50 ALA HB1 H 1 1.37963 0.04 . 1 . . . . . 50 ALA HB* . 28052 1 499 . 1 . 1 50 50 ALA HB2 H 1 1.37963 0.04 . 1 . . . . . 50 ALA HB* . 28052 1 500 . 1 . 1 50 50 ALA HB3 H 1 1.37963 0.04 . 1 . . . . . 50 ALA HB* . 28052 1 501 . 1 . 1 50 50 ALA C C 13 178.55774 0.4 . 1 . . . . . 50 ALA C . 28052 1 502 . 1 . 1 50 50 ALA CA C 13 54.9886 0.4 . 1 . . . . . 50 ALA CA . 28052 1 503 . 1 . 1 50 50 ALA CB C 13 20.69016 0.4 . 1 . . . . . 50 ALA CB . 28052 1 504 . 1 . 1 50 50 ALA N N 15 121.18407 0.2 . 1 . . . . . 50 ALA N . 28052 1 505 . 1 . 1 51 51 CYS H H 1 8.3588 0.04 . 1 . . . . . 51 CYS H . 28052 1 506 . 1 . 1 51 51 CYS HA H 1 4.57199 0.04 . 1 . . . . . 51 CYS HA . 28052 1 507 . 1 . 1 51 51 CYS HB2 H 1 1.83022 0.04 . 2 . . . . . 51 CYS HB2 . 28052 1 508 . 1 . 1 51 51 CYS HB3 H 1 1.75326 0.04 . 2 . . . . . 51 CYS HB3 . 28052 1 509 . 1 . 1 51 51 CYS C C 13 176.79471 0.4 . 1 . . . . . 51 CYS C . 28052 1 510 . 1 . 1 51 51 CYS CA C 13 58.16543 0.4 . 1 . . . . . 51 CYS CA . 28052 1 511 . 1 . 1 51 51 CYS CB C 13 32.47501 0.4 . 1 . . . . . 51 CYS CB . 28052 1 512 . 1 . 1 51 51 CYS N N 15 114.939 0.2 . 1 . . . . . 51 CYS N . 28052 1 513 . 1 . 1 52 52 GLY H H 1 8.35755 0.04 . 1 . . . . . 52 GLY H . 28052 1 514 . 1 . 1 52 52 GLY HA2 H 1 3.67336 0.04 . 2 . . . . . 52 GLY HA2 . 28052 1 515 . 1 . 1 52 52 GLY HA3 H 1 4.09028 0.04 . 2 . . . . . 52 GLY HA3 . 28052 1 516 . 1 . 1 52 52 GLY C C 13 174.12181 0.4 . 1 . . . . . 52 GLY C . 28052 1 517 . 1 . 1 52 52 GLY CA C 13 45.90963 0.4 . 1 . . . . . 52 GLY CA . 28052 1 518 . 1 . 1 52 52 GLY N N 15 113.65075 0.2 . 1 . . . . . 52 GLY N . 28052 1 519 . 1 . 1 53 53 THR H H 1 8.12054 0.04 . 1 . . . . . 53 THR H . 28052 1 520 . 1 . 1 53 53 THR HA H 1 3.94931 0.04 . 1 . . . . . 53 THR HA . 28052 1 521 . 1 . 1 53 53 THR HB H 1 3.76349 0.04 . 1 . . . . . 53 THR HB . 28052 1 522 . 1 . 1 53 53 THR HG21 H 1 1.09984 0.04 . 1 . . . . . 53 THR HG2* . 28052 1 523 . 1 . 1 53 53 THR HG22 H 1 1.09984 0.04 . 1 . . . . . 53 THR HG2* . 28052 1 524 . 1 . 1 53 53 THR HG23 H 1 1.09984 0.04 . 1 . . . . . 53 THR HG2* . 28052 1 525 . 1 . 1 53 53 THR C C 13 173.66014 0.4 . 1 . . . . . 53 THR C . 28052 1 526 . 1 . 1 53 53 THR CA C 13 64.45337 0.4 . 1 . . . . . 53 THR CA . 28052 1 527 . 1 . 1 53 53 THR CB C 13 69.11404 0.4 . 1 . . . . . 53 THR CB . 28052 1 528 . 1 . 1 53 53 THR CG2 C 13 21.38116 0.4 . 1 . . . . . 53 THR CG2 . 28052 1 529 . 1 . 1 53 53 THR N N 15 120.34202 0.2 . 1 . . . . . 53 THR N . 28052 1 530 . 1 . 1 54 54 GLU H H 1 8.80519 0.04 . 1 . . . . . 54 GLU H . 28052 1 531 . 1 . 1 54 54 GLU HA H 1 3.7297 0.04 . 1 . . . . . 54 GLU HA . 28052 1 532 . 1 . 1 54 54 GLU HB2 H 1 1.54018 0.04 . 2 . . . . . 54 GLU HB2 . 28052 1 533 . 1 . 1 54 54 GLU HB3 H 1 1.72785 0.04 . 2 . . . . . 54 GLU HB3 . 28052 1 534 . 1 . 1 54 54 GLU HG2 H 1 2.05112 0.04 . 2 . . . . . 54 GLU HG2 . 28052 1 535 . 1 . 1 54 54 GLU HG3 H 1 2.27103 0.04 . 2 . . . . . 54 GLU HG3 . 28052 1 536 . 1 . 1 54 54 GLU C C 13 175.35409 0.4 . 1 . . . . . 54 GLU C . 28052 1 537 . 1 . 1 54 54 GLU CA C 13 58.42597 0.4 . 1 . . . . . 54 GLU CA . 28052 1 538 . 1 . 1 54 54 GLU CB C 13 29.83342 0.4 . 1 . . . . . 54 GLU CB . 28052 1 539 . 1 . 1 54 54 GLU CG C 13 36.05616 0.4 . 1 . . . . . 54 GLU CG . 28052 1 540 . 1 . 1 54 54 GLU N N 15 127.27447 0.2 . 1 . . . . . 54 GLU N . 28052 1 541 . 1 . 1 55 55 LEU H H 1 8.23333 0.04 . 1 . . . . . 55 LEU H . 28052 1 542 . 1 . 1 55 55 LEU HA H 1 4.14837 0.04 . 1 . . . . . 55 LEU HA . 28052 1 543 . 1 . 1 55 55 LEU HB2 H 1 0.46058 0.04 . 1 . . . . . 55 LEU HB2 . 28052 1 544 . 1 . 1 55 55 LEU HB3 H 1 1.38442 0.04 . 1 . . . . . 55 LEU HB3 . 28052 1 545 . 1 . 1 55 55 LEU HD11 H 1 0.61606 0.04 . 2 . . . . . 55 LEU HD1* . 28052 1 546 . 1 . 1 55 55 LEU HD12 H 1 0.61606 0.04 . 2 . . . . . 55 LEU HD1* . 28052 1 547 . 1 . 1 55 55 LEU HD13 H 1 0.61606 0.04 . 2 . . . . . 55 LEU HD1* . 28052 1 548 . 1 . 1 55 55 LEU HD21 H 1 0.62715 0.04 . 2 . . . . . 55 LEU HD2* . 28052 1 549 . 1 . 1 55 55 LEU HD22 H 1 0.62715 0.04 . 2 . . . . . 55 LEU HD2* . 28052 1 550 . 1 . 1 55 55 LEU HD23 H 1 0.62715 0.04 . 2 . . . . . 55 LEU HD2* . 28052 1 551 . 1 . 1 55 55 LEU C C 13 174.98564 0.4 . 1 . . . . . 55 LEU C . 28052 1 552 . 1 . 1 55 55 LEU CA C 13 56.56234 0.4 . 1 . . . . . 55 LEU CA . 28052 1 553 . 1 . 1 55 55 LEU CB C 13 49.14404 0.4 . 1 . . . . . 55 LEU CB . 28052 1 554 . 1 . 1 55 55 LEU CD1 C 13 27.74779 0.4 . 2 . . . . . 55 LEU CD1 . 28052 1 555 . 1 . 1 55 55 LEU CD2 C 13 23.77137 0.4 . 2 . . . . . 55 LEU CD2 . 28052 1 556 . 1 . 1 55 55 LEU N N 15 120.13279 0.2 . 1 . . . . . 55 LEU N . 28052 1 557 . 1 . 1 56 56 PHE H H 1 7.8646 0.04 . 1 . . . . . 56 PHE H . 28052 1 558 . 1 . 1 56 56 PHE HA H 1 4.68767 0.04 . 1 . . . . . 56 PHE HA . 28052 1 559 . 1 . 1 56 56 PHE HB2 H 1 1.46105 0.04 . 2 . . . . . 56 PHE HB2 . 28052 1 560 . 1 . 1 56 56 PHE HB3 H 1 2.04132 0.04 . 2 . . . . . 56 PHE HB3 . 28052 1 561 . 1 . 1 56 56 PHE C C 13 174.2039 0.4 . 1 . . . . . 56 PHE C . 28052 1 562 . 1 . 1 56 56 PHE CA C 13 55.75635 0.4 . 1 . . . . . 56 PHE CA . 28052 1 563 . 1 . 1 56 56 PHE CB C 13 45.32526 0.4 . 1 . . . . . 56 PHE CB . 28052 1 564 . 1 . 1 56 56 PHE N N 15 112.56981 0.2 . 1 . . . . . 56 PHE N . 28052 1 565 . 1 . 1 57 57 ARG H H 1 9.58098 0.04 . 1 . . . . . 57 ARG H . 28052 1 566 . 1 . 1 57 57 ARG HA H 1 5.03853 0.04 . 1 . . . . . 57 ARG HA . 28052 1 567 . 1 . 1 57 57 ARG HB2 H 1 2.13419 0.04 . 1 . . . . . 57 ARG HB2 . 28052 1 568 . 1 . 1 57 57 ARG HB3 H 1 2.13419 0.04 . 1 . . . . . 57 ARG HB3 . 28052 1 569 . 1 . 1 57 57 ARG HG2 H 1 1.60939 0.04 . 1 . . . . . 57 ARG HG2 . 28052 1 570 . 1 . 1 57 57 ARG HG3 H 1 1.60939 0.04 . 1 . . . . . 57 ARG HG3 . 28052 1 571 . 1 . 1 57 57 ARG HD2 H 1 2.98175 0.04 . 1 . . . . . 57 ARG HD2 . 28052 1 572 . 1 . 1 57 57 ARG HD3 H 1 2.98175 0.04 . 1 . . . . . 57 ARG HD3 . 28052 1 573 . 1 . 1 57 57 ARG C C 13 177.72728 0.4 . 1 . . . . . 57 ARG C . 28052 1 574 . 1 . 1 57 57 ARG CA C 13 55.10644 0.4 . 1 . . . . . 57 ARG CA . 28052 1 575 . 1 . 1 57 57 ARG CB C 13 33.23469 0.4 . 1 . . . . . 57 ARG CB . 28052 1 576 . 1 . 1 57 57 ARG CG C 13 28.12806 0.4 . 1 . . . . . 57 ARG CG . 28052 1 577 . 1 . 1 57 57 ARG CD C 13 41.82447 0.4 . 1 . . . . . 57 ARG CD . 28052 1 578 . 1 . 1 57 57 ARG N N 15 120.15929 0.2 . 1 . . . . . 57 ARG N . 28052 1 579 . 1 . 1 58 58 SER H H 1 8.9137 0.04 . 1 . . . . . 58 SER H . 28052 1 580 . 1 . 1 58 58 SER C C 13 176.95498 0.4 . 1 . . . . . 58 SER C . 28052 1 581 . 1 . 1 58 58 SER N N 15 117.12743 0.2 . 1 . . . . . 58 SER N . 28052 1 582 . 1 . 1 59 59 THR H H 1 7.16615 0.04 . 1 . . . . . 59 THR H . 28052 1 583 . 1 . 1 59 59 THR HA H 1 4.21877 0.04 . 1 . . . . . 59 THR HA . 28052 1 584 . 1 . 1 59 59 THR HB H 1 4.34031 0.04 . 1 . . . . . 59 THR HB . 28052 1 585 . 1 . 1 59 59 THR HG21 H 1 1.30564 0.04 . 1 . . . . . 59 THR HG2* . 28052 1 586 . 1 . 1 59 59 THR HG22 H 1 1.30564 0.04 . 1 . . . . . 59 THR HG2* . 28052 1 587 . 1 . 1 59 59 THR HG23 H 1 1.30564 0.04 . 1 . . . . . 59 THR HG2* . 28052 1 588 . 1 . 1 59 59 THR C C 13 175.69137 0.4 . 1 . . . . . 59 THR C . 28052 1 589 . 1 . 1 59 59 THR CA C 13 64.13425 0.4 . 1 . . . . . 59 THR CA . 28052 1 590 . 1 . 1 59 59 THR CB C 13 68.41206 0.4 . 1 . . . . . 59 THR CB . 28052 1 591 . 1 . 1 59 59 THR CG2 C 13 23.13521 0.4 . 1 . . . . . 59 THR CG2 . 28052 1 592 . 1 . 1 59 59 THR N N 15 112.12101 0.2 . 1 . . . . . 59 THR N . 28052 1 593 . 1 . 1 60 60 GLU H H 1 7.27501 0.04 . 1 . . . . . 60 GLU H . 28052 1 594 . 1 . 1 60 60 GLU HA H 1 4.26788 0.04 . 1 . . . . . 60 GLU HA . 28052 1 595 . 1 . 1 60 60 GLU HB2 H 1 1.49035 0.04 . 2 . . . . . 60 GLU HB2 . 28052 1 596 . 1 . 1 60 60 GLU HB3 H 1 2.08704 0.04 . 2 . . . . . 60 GLU HB3 . 28052 1 597 . 1 . 1 60 60 GLU HG2 H 1 1.6725 0.04 . 2 . . . . . 60 GLU HG2 . 28052 1 598 . 1 . 1 60 60 GLU HG3 H 1 2.05007 0.04 . 2 . . . . . 60 GLU HG3 . 28052 1 599 . 1 . 1 60 60 GLU C C 13 173.69887 0.4 . 1 . . . . . 60 GLU C . 28052 1 600 . 1 . 1 60 60 GLU CA C 13 56.42811 0.4 . 1 . . . . . 60 GLU CA . 28052 1 601 . 1 . 1 60 60 GLU CB C 13 29.47451 0.4 . 1 . . . . . 60 GLU CB . 28052 1 602 . 1 . 1 60 60 GLU CG C 13 39.1033 0.4 . 1 . . . . . 60 GLU CG . 28052 1 603 . 1 . 1 60 60 GLU N N 15 118.84477 0.2 . 1 . . . . . 60 GLU N . 28052 1 604 . 1 . 1 61 61 LYS H H 1 7.42521 0.04 . 1 . . . . . 61 LYS H . 28052 1 605 . 1 . 1 61 61 LYS HA H 1 4.45143 0.04 . 1 . . . . . 61 LYS HA . 28052 1 606 . 1 . 1 61 61 LYS HB2 H 1 1.29478 0.04 . 2 . . . . . 61 LYS HB2 . 28052 1 607 . 1 . 1 61 61 LYS HB3 H 1 2.03036 0.04 . 2 . . . . . 61 LYS HB3 . 28052 1 608 . 1 . 1 61 61 LYS C C 13 175.69688 0.4 . 1 . . . . . 61 LYS C . 28052 1 609 . 1 . 1 61 61 LYS CA C 13 55.54139 0.4 . 1 . . . . . 61 LYS CA . 28052 1 610 . 1 . 1 61 61 LYS CB C 13 35.52502 0.4 . 1 . . . . . 61 LYS CB . 28052 1 611 . 1 . 1 61 61 LYS N N 15 124.02507 0.2 . 1 . . . . . 61 LYS N . 28052 1 612 . 1 . 1 62 62 PHE H H 1 8.45997 0.04 . 1 . . . . . 62 PHE H . 28052 1 613 . 1 . 1 62 62 PHE HD1 H 1 6.96042 0.04 . 3 . . . . . 62 PHE HD* . 28052 1 614 . 1 . 1 62 62 PHE HD2 H 1 6.96042 0.04 . 3 . . . . . 62 PHE HD* . 28052 1 615 . 1 . 1 62 62 PHE HE1 H 1 6.48691 0.04 . 3 . . . . . 62 PHE HE* . 28052 1 616 . 1 . 1 62 62 PHE HE2 H 1 6.48691 0.04 . 3 . . . . . 62 PHE HE* . 28052 1 617 . 1 . 1 62 62 PHE CD1 C 13 132.58497 0.4 . 3 . . . . . 62 PHE CD* . 28052 1 618 . 1 . 1 62 62 PHE CD2 C 13 132.58497 0.4 . 3 . . . . . 62 PHE CD* . 28052 1 619 . 1 . 1 62 62 PHE CE1 C 13 130.12536 0.4 . 3 . . . . . 62 PHE CE* . 28052 1 620 . 1 . 1 62 62 PHE CE2 C 13 130.12536 0.4 . 3 . . . . . 62 PHE CE* . 28052 1 621 . 1 . 1 62 62 PHE N N 15 123.57683 0.2 . 1 . . . . . 62 PHE N . 28052 1 622 . 1 . 1 67 67 GLY HA2 H 1 2.30913 0.04 . 2 . . . . . 67 GLY HA2 . 28052 1 623 . 1 . 1 67 67 GLY HA3 H 1 2.68658 0.04 . 2 . . . . . 67 GLY HA3 . 28052 1 624 . 1 . 1 67 67 GLY C C 13 172.63765 0.4 . 1 . . . . . 67 GLY C . 28052 1 625 . 1 . 1 67 67 GLY CA C 13 43.73757 0.4 . 1 . . . . . 67 GLY CA . 28052 1 626 . 1 . 1 68 68 TRP H H 1 7.3722 0.04 . 1 . . . . . 68 TRP H . 28052 1 627 . 1 . 1 68 68 TRP HA H 1 4.72221 0.04 . 1 . . . . . 68 TRP HA . 28052 1 628 . 1 . 1 68 68 TRP HB2 H 1 2.72516 0.04 . 2 . . . . . 68 TRP HB2 . 28052 1 629 . 1 . 1 68 68 TRP HB3 H 1 3.2239 0.04 . 2 . . . . . 68 TRP HB3 . 28052 1 630 . 1 . 1 68 68 TRP HD1 H 1 7.66767 0.04 . 1 . . . . . 68 TRP HD1 . 28052 1 631 . 1 . 1 68 68 TRP HE1 H 1 10.15163 0.04 . 1 . . . . . 68 TRP HE1 . 28052 1 632 . 1 . 1 68 68 TRP CA C 13 58.04769 0.4 . 1 . . . . . 68 TRP CA . 28052 1 633 . 1 . 1 68 68 TRP CB C 13 31.31904 0.4 . 1 . . . . . 68 TRP CB . 28052 1 634 . 1 . 1 68 68 TRP CD1 C 13 127.01411 0.4 . 1 . . . . . 68 TRP CD1 . 28052 1 635 . 1 . 1 68 68 TRP N N 15 120.25356 0.2 . 1 . . . . . 68 TRP N . 28052 1 636 . 1 . 1 68 68 TRP NE1 N 15 130.98084 0.2 . 1 . . . . . 68 TRP NE1 . 28052 1 637 . 1 . 1 69 69 PRO HA H 1 3.93578 0.04 . 1 . . . . . 69 PRO HA . 28052 1 638 . 1 . 1 69 69 PRO HB2 H 1 1.42358 0.04 . 2 . . . . . 69 PRO HB2 . 28052 1 639 . 1 . 1 69 69 PRO HB3 H 1 1.99107 0.04 . 2 . . . . . 69 PRO HB3 . 28052 1 640 . 1 . 1 69 69 PRO C C 13 173.2326 0.4 . 1 . . . . . 69 PRO C . 28052 1 641 . 1 . 1 69 69 PRO CA C 13 63.77537 0.4 . 1 . . . . . 69 PRO CA . 28052 1 642 . 1 . 1 69 69 PRO CB C 13 31.96184 0.4 . 1 . . . . . 69 PRO CB . 28052 1 643 . 1 . 1 70 70 SER H H 1 7.97158 0.04 . 1 . . . . . 70 SER H . 28052 1 644 . 1 . 1 70 70 SER HA H 1 5.45655 0.04 . 1 . . . . . 70 SER HA . 28052 1 645 . 1 . 1 70 70 SER HB2 H 1 2.73406 0.04 . 2 . . . . . 70 SER HB2 . 28052 1 646 . 1 . 1 70 70 SER HB3 H 1 2.9164 0.04 . 2 . . . . . 70 SER HB3 . 28052 1 647 . 1 . 1 70 70 SER CA C 13 55.20528 0.4 . 1 . . . . . 70 SER CA . 28052 1 648 . 1 . 1 70 70 SER CB C 13 65.85607 0.4 . 1 . . . . . 70 SER CB . 28052 1 649 . 1 . 1 70 70 SER N N 15 115.58543 0.2 . 1 . . . . . 70 SER N . 28052 1 650 . 1 . 1 71 71 PHE H H 1 8.41563 0.04 . 1 . . . . . 71 PHE H . 28052 1 651 . 1 . 1 71 71 PHE HA H 1 5.73399 0.04 . 1 . . . . . 71 PHE HA . 28052 1 652 . 1 . 1 71 71 PHE HB2 H 1 2.10172 0.04 . 2 . . . . . 71 PHE HB2 . 28052 1 653 . 1 . 1 71 71 PHE HB3 H 1 2.75251 0.04 . 2 . . . . . 71 PHE HB3 . 28052 1 654 . 1 . 1 71 71 PHE C C 13 177.121 0.4 . 1 . . . . . 71 PHE C . 28052 1 655 . 1 . 1 71 71 PHE CA C 13 54.67944 0.4 . 1 . . . . . 71 PHE CA . 28052 1 656 . 1 . 1 71 71 PHE CB C 13 44.04936 0.4 . 1 . . . . . 71 PHE CB . 28052 1 657 . 1 . 1 71 71 PHE N N 15 118.45489 0.2 . 1 . . . . . 71 PHE N . 28052 1 658 . 1 . 1 72 72 PHE H H 1 9.54482 0.04 . 1 . . . . . 72 PHE H . 28052 1 659 . 1 . 1 72 72 PHE HA H 1 5.99386 0.04 . 1 . . . . . 72 PHE HA . 28052 1 660 . 1 . 1 72 72 PHE HB2 H 1 2.7928 0.04 . 2 . . . . . 72 PHE HB2 . 28052 1 661 . 1 . 1 72 72 PHE HB3 H 1 4.0408 0.04 . 2 . . . . . 72 PHE HB3 . 28052 1 662 . 1 . 1 72 72 PHE C C 13 175.80268 0.4 . 1 . . . . . 72 PHE C . 28052 1 663 . 1 . 1 72 72 PHE CA C 13 56.84948 0.4 . 1 . . . . . 72 PHE CA . 28052 1 664 . 1 . 1 72 72 PHE CB C 13 37.77383 0.4 . 1 . . . . . 72 PHE CB . 28052 1 665 . 1 . 1 72 72 PHE N N 15 118.49076 0.2 . 1 . . . . . 72 PHE N . 28052 1 666 . 1 . 1 73 73 SER H H 1 7.01959 0.04 . 1 . . . . . 73 SER H . 28052 1 667 . 1 . 1 73 73 SER HA H 1 4.82543 0.04 . 1 . . . . . 73 SER HA . 28052 1 668 . 1 . 1 73 73 SER HB2 H 1 3.68341 0.04 . 2 . . . . . 73 SER HB2 . 28052 1 669 . 1 . 1 73 73 SER HB3 H 1 4.03559 0.04 . 2 . . . . . 73 SER HB3 . 28052 1 670 . 1 . 1 73 73 SER CA C 13 57.37949 0.4 . 1 . . . . . 73 SER CA . 28052 1 671 . 1 . 1 73 73 SER CB C 13 66.00209 0.4 . 1 . . . . . 73 SER CB . 28052 1 672 . 1 . 1 73 73 SER N N 15 114.25259 0.2 . 1 . . . . . 73 SER N . 28052 1 673 . 1 . 1 74 74 PRO HA H 1 4.34736 0.04 . 1 . . . . . 74 PRO HA . 28052 1 674 . 1 . 1 74 74 PRO HB2 H 1 1.12244 0.04 . 2 . . . . . 74 PRO HB2 . 28052 1 675 . 1 . 1 74 74 PRO HB3 H 1 1.51654 0.04 . 2 . . . . . 74 PRO HB3 . 28052 1 676 . 1 . 1 74 74 PRO HG2 H 1 1.25175 0.04 . 2 . . . . . 74 PRO HG2 . 28052 1 677 . 1 . 1 74 74 PRO HG3 H 1 1.47894 0.04 . 2 . . . . . 74 PRO HG3 . 28052 1 678 . 1 . 1 74 74 PRO HD2 H 1 2.92329 0.04 . 2 . . . . . 74 PRO HD2 . 28052 1 679 . 1 . 1 74 74 PRO HD3 H 1 3.46497 0.04 . 2 . . . . . 74 PRO HD3 . 28052 1 680 . 1 . 1 74 74 PRO C C 13 176.49014 0.4 . 1 . . . . . 74 PRO C . 28052 1 681 . 1 . 1 74 74 PRO CA C 13 61.79296 0.4 . 1 . . . . . 74 PRO CA . 28052 1 682 . 1 . 1 74 74 PRO CB C 13 31.79274 0.4 . 1 . . . . . 74 PRO CB . 28052 1 683 . 1 . 1 74 74 PRO CG C 13 26.10724 0.4 . 1 . . . . . 74 PRO CG . 28052 1 684 . 1 . 1 74 74 PRO CD C 13 50.12551 0.4 . 1 . . . . . 74 PRO CD . 28052 1 685 . 1 . 1 75 75 LEU H H 1 8.14086 0.04 . 1 . . . . . 75 LEU H . 28052 1 686 . 1 . 1 75 75 LEU HA H 1 3.69379 0.04 . 1 . . . . . 75 LEU HA . 28052 1 687 . 1 . 1 75 75 LEU HB2 H 1 1.08314 0.04 . 1 . . . . . 75 LEU HB2 . 28052 1 688 . 1 . 1 75 75 LEU HG H 1 1.2457 0.04 . 1 . . . . . 75 LEU HG . 28052 1 689 . 1 . 1 75 75 LEU HD11 H 1 0.56658 0.04 . 2 . . . . . 75 LEU HD1* . 28052 1 690 . 1 . 1 75 75 LEU HD12 H 1 0.56658 0.04 . 2 . . . . . 75 LEU HD1* . 28052 1 691 . 1 . 1 75 75 LEU HD13 H 1 0.56658 0.04 . 2 . . . . . 75 LEU HD1* . 28052 1 692 . 1 . 1 75 75 LEU HD21 H 1 0.59809 0.04 . 2 . . . . . 75 LEU HD2* . 28052 1 693 . 1 . 1 75 75 LEU HD22 H 1 0.59809 0.04 . 2 . . . . . 75 LEU HD2* . 28052 1 694 . 1 . 1 75 75 LEU HD23 H 1 0.59809 0.04 . 2 . . . . . 75 LEU HD2* . 28052 1 695 . 1 . 1 75 75 LEU C C 13 175.98352 0.4 . 1 . . . . . 75 LEU C . 28052 1 696 . 1 . 1 75 75 LEU CA C 13 58.39608 0.4 . 1 . . . . . 75 LEU CA . 28052 1 697 . 1 . 1 75 75 LEU CB C 13 43.36097 0.4 . 1 . . . . . 75 LEU CB . 28052 1 698 . 1 . 1 75 75 LEU CG C 13 27.29178 0.4 . 1 . . . . . 75 LEU CG . 28052 1 699 . 1 . 1 75 75 LEU CD1 C 13 25.95196 0.4 . 2 . . . . . 75 LEU CD1 . 28052 1 700 . 1 . 1 75 75 LEU CD2 C 13 25.48419 0.4 . 2 . . . . . 75 LEU CD2 . 28052 1 701 . 1 . 1 75 75 LEU N N 15 121.48306 0.2 . 1 . . . . . 75 LEU N . 28052 1 702 . 1 . 1 76 76 ALA H H 1 6.95375 0.04 . 1 . . . . . 76 ALA H . 28052 1 703 . 1 . 1 76 76 ALA HA H 1 4.27254 0.04 . 1 . . . . . 76 ALA HA . 28052 1 704 . 1 . 1 76 76 ALA HB1 H 1 1.30606 0.04 . 1 . . . . . 76 ALA HB* . 28052 1 705 . 1 . 1 76 76 ALA HB2 H 1 1.30606 0.04 . 1 . . . . . 76 ALA HB* . 28052 1 706 . 1 . 1 76 76 ALA HB3 H 1 1.30606 0.04 . 1 . . . . . 76 ALA HB* . 28052 1 707 . 1 . 1 76 76 ALA C C 13 178.00277 0.4 . 1 . . . . . 76 ALA C . 28052 1 708 . 1 . 1 76 76 ALA CA C 13 51.22174 0.4 . 1 . . . . . 76 ALA CA . 28052 1 709 . 1 . 1 76 76 ALA CB C 13 21.75548 0.4 . 1 . . . . . 76 ALA CB . 28052 1 710 . 1 . 1 76 76 ALA N N 15 114.41612 0.2 . 1 . . . . . 76 ALA N . 28052 1 711 . 1 . 1 77 77 GLY HA2 H 1 3.69856 0.04 . 2 . . . . . 77 GLY HA2 . 28052 1 712 . 1 . 1 77 77 GLY HA3 H 1 3.8097 0.04 . 2 . . . . . 77 GLY HA3 . 28052 1 713 . 1 . 1 77 77 GLY C C 13 173.75313 0.4 . 1 . . . . . 77 GLY C . 28052 1 714 . 1 . 1 77 77 GLY CA C 13 46.68555 0.4 . 1 . . . . . 77 GLY CA . 28052 1 715 . 1 . 1 78 78 ASP H H 1 8.09964 0.04 . 1 . . . . . 78 ASP H . 28052 1 716 . 1 . 1 78 78 ASP HA H 1 4.51196 0.04 . 1 . . . . . 78 ASP HA . 28052 1 717 . 1 . 1 78 78 ASP HB2 H 1 2.45709 0.04 . 2 . . . . . 78 ASP HB2 . 28052 1 718 . 1 . 1 78 78 ASP HB3 H 1 2.74658 0.04 . 2 . . . . . 78 ASP HB3 . 28052 1 719 . 1 . 1 78 78 ASP C C 13 176.59392 0.4 . 1 . . . . . 78 ASP C . 28052 1 720 . 1 . 1 78 78 ASP CA C 13 53.35237 0.4 . 1 . . . . . 78 ASP CA . 28052 1 721 . 1 . 1 78 78 ASP CB C 13 39.46491 0.4 . 1 . . . . . 78 ASP CB . 28052 1 722 . 1 . 1 78 78 ASP N N 15 115.18496 0.2 . 1 . . . . . 78 ASP N . 28052 1 723 . 1 . 1 79 79 LYS H H 1 7.42185 0.04 . 1 . . . . . 79 LYS H . 28052 1 724 . 1 . 1 79 79 LYS HA H 1 4.04188 0.04 . 1 . . . . . 79 LYS HA . 28052 1 725 . 1 . 1 79 79 LYS HB2 H 1 1.64414 0.04 . 2 . . . . . 79 LYS HB2 . 28052 1 726 . 1 . 1 79 79 LYS HB3 H 1 1.84683 0.04 . 2 . . . . . 79 LYS HB3 . 28052 1 727 . 1 . 1 79 79 LYS HG2 H 1 1.28668 0.04 . 1 . . . . . 79 LYS HG2 . 28052 1 728 . 1 . 1 79 79 LYS HG3 H 1 1.28668 0.04 . 1 . . . . . 79 LYS HG3 . 28052 1 729 . 1 . 1 79 79 LYS HD2 H 1 1.48729 0.04 . 2 . . . . . 79 LYS HD2 . 28052 1 730 . 1 . 1 79 79 LYS HD3 H 1 1.55663 0.04 . 2 . . . . . 79 LYS HD3 . 28052 1 731 . 1 . 1 79 79 LYS HE2 H 1 2.72099 0.04 . 2 . . . . . 79 LYS HE2 . 28052 1 732 . 1 . 1 79 79 LYS HE3 H 1 2.81847 0.04 . 2 . . . . . 79 LYS HE3 . 28052 1 733 . 1 . 1 79 79 LYS C C 13 177.01144 0.4 . 1 . . . . . 79 LYS C . 28052 1 734 . 1 . 1 79 79 LYS CA C 13 56.02645 0.4 . 1 . . . . . 79 LYS CA . 28052 1 735 . 1 . 1 79 79 LYS CB C 13 33.3368 0.4 . 1 . . . . . 79 LYS CB . 28052 1 736 . 1 . 1 79 79 LYS CG C 13 25.20727 0.4 . 1 . . . . . 79 LYS CG . 28052 1 737 . 1 . 1 79 79 LYS CD C 13 27.58912 0.4 . 1 . . . . . 79 LYS CD . 28052 1 738 . 1 . 1 79 79 LYS CE C 13 42.49293 0.4 . 1 . . . . . 79 LYS CE . 28052 1 739 . 1 . 1 79 79 LYS N N 15 115.66277 0.2 . 1 . . . . . 79 LYS N . 28052 1 740 . 1 . 1 80 80 VAL H H 1 7.57874 0.04 . 1 . . . . . 80 VAL H . 28052 1 741 . 1 . 1 80 80 VAL HA H 1 5.04952 0.04 . 1 . . . . . 80 VAL HA . 28052 1 742 . 1 . 1 80 80 VAL HB H 1 1.97845 0.04 . 1 . . . . . 80 VAL HB . 28052 1 743 . 1 . 1 80 80 VAL HG11 H 1 0.36949 0.04 . 2 . . . . . 80 VAL HG1* . 28052 1 744 . 1 . 1 80 80 VAL HG12 H 1 0.36949 0.04 . 2 . . . . . 80 VAL HG1* . 28052 1 745 . 1 . 1 80 80 VAL HG13 H 1 0.36949 0.04 . 2 . . . . . 80 VAL HG1* . 28052 1 746 . 1 . 1 80 80 VAL HG21 H 1 0.60324 0.04 . 2 . . . . . 80 VAL HG2* . 28052 1 747 . 1 . 1 80 80 VAL HG22 H 1 0.60324 0.04 . 2 . . . . . 80 VAL HG2* . 28052 1 748 . 1 . 1 80 80 VAL HG23 H 1 0.60324 0.04 . 2 . . . . . 80 VAL HG2* . 28052 1 749 . 1 . 1 80 80 VAL C C 13 174.10882 0.4 . 1 . . . . . 80 VAL C . 28052 1 750 . 1 . 1 80 80 VAL CA C 13 57.85747 0.4 . 1 . . . . . 80 VAL CA . 28052 1 751 . 1 . 1 80 80 VAL CB C 13 34.88931 0.4 . 1 . . . . . 80 VAL CB . 28052 1 752 . 1 . 1 80 80 VAL CG1 C 13 21.79589 0.4 . 2 . . . . . 80 VAL CG1 . 28052 1 753 . 1 . 1 80 80 VAL CG2 C 13 18.44929 0.4 . 2 . . . . . 80 VAL CG2 . 28052 1 754 . 1 . 1 80 80 VAL N N 15 108.96603 0.2 . 1 . . . . . 80 VAL N . 28052 1 755 . 1 . 1 81 81 ILE H H 1 8.64444 0.04 . 1 . . . . . 81 ILE H . 28052 1 756 . 1 . 1 81 81 ILE HA H 1 4.19105 0.04 . 1 . . . . . 81 ILE HA . 28052 1 757 . 1 . 1 81 81 ILE HB H 1 1.3519 0.04 . 1 . . . . . 81 ILE HB . 28052 1 758 . 1 . 1 81 81 ILE HG12 H 1 0.93367 0.04 . 2 . . . . . 81 ILE HG12 . 28052 1 759 . 1 . 1 81 81 ILE HG13 H 1 1.22172 0.04 . 2 . . . . . 81 ILE HG13 . 28052 1 760 . 1 . 1 81 81 ILE HG21 H 1 0.72327 0.04 . 1 . . . . . 81 ILE HG2* . 28052 1 761 . 1 . 1 81 81 ILE HG22 H 1 0.72327 0.04 . 1 . . . . . 81 ILE HG2* . 28052 1 762 . 1 . 1 81 81 ILE HG23 H 1 0.72327 0.04 . 1 . . . . . 81 ILE HG2* . 28052 1 763 . 1 . 1 81 81 ILE HD11 H 1 0.78522 0.04 . 1 . . . . . 81 ILE HD1* . 28052 1 764 . 1 . 1 81 81 ILE HD12 H 1 0.78522 0.04 . 1 . . . . . 81 ILE HD1* . 28052 1 765 . 1 . 1 81 81 ILE HD13 H 1 0.78522 0.04 . 1 . . . . . 81 ILE HD1* . 28052 1 766 . 1 . 1 81 81 ILE C C 13 174.30657 0.4 . 1 . . . . . 81 ILE C . 28052 1 767 . 1 . 1 81 81 ILE CA C 13 59.75156 0.4 . 1 . . . . . 81 ILE CA . 28052 1 768 . 1 . 1 81 81 ILE CB C 13 40.5982 0.4 . 1 . . . . . 81 ILE CB . 28052 1 769 . 1 . 1 81 81 ILE CG1 C 13 27.52904 0.4 . 1 . . . . . 81 ILE CG1 . 28052 1 770 . 1 . 1 81 81 ILE CG2 C 13 16.88411 0.4 . 1 . . . . . 81 ILE CG2 . 28052 1 771 . 1 . 1 81 81 ILE CD1 C 13 13.56376 0.4 . 1 . . . . . 81 ILE CD1 . 28052 1 772 . 1 . 1 81 81 ILE N N 15 122.39695 0.2 . 1 . . . . . 81 ILE N . 28052 1 773 . 1 . 1 82 82 GLU H H 1 8.28609 0.04 . 1 . . . . . 82 GLU H . 28052 1 774 . 1 . 1 82 82 GLU HA H 1 5.25316 0.04 . 1 . . . . . 82 GLU HA . 28052 1 775 . 1 . 1 82 82 GLU HB2 H 1 1.59591 0.04 . 2 . . . . . 82 GLU HB2 . 28052 1 776 . 1 . 1 82 82 GLU HB3 H 1 1.70862 0.04 . 2 . . . . . 82 GLU HB3 . 28052 1 777 . 1 . 1 82 82 GLU HG2 H 1 1.90173 0.04 . 2 . . . . . 82 GLU HG2 . 28052 1 778 . 1 . 1 82 82 GLU HG3 H 1 2.18126 0.04 . 2 . . . . . 82 GLU HG3 . 28052 1 779 . 1 . 1 82 82 GLU C C 13 176.44002 0.4 . 1 . . . . . 82 GLU C . 28052 1 780 . 1 . 1 82 82 GLU CA C 13 54.04144 0.4 . 1 . . . . . 82 GLU CA . 28052 1 781 . 1 . 1 82 82 GLU CB C 13 30.63284 0.4 . 1 . . . . . 82 GLU CB . 28052 1 782 . 1 . 1 82 82 GLU CG C 13 36.4291 0.4 . 1 . . . . . 82 GLU CG . 28052 1 783 . 1 . 1 82 82 GLU N N 15 125.34837 0.2 . 1 . . . . . 82 GLU N . 28052 1 784 . 1 . 1 83 83 ARG H H 1 8.88685 0.04 . 1 . . . . . 83 ARG H . 28052 1 785 . 1 . 1 83 83 ARG HA H 1 4.78013 0.04 . 1 . . . . . 83 ARG HA . 28052 1 786 . 1 . 1 83 83 ARG HB2 H 1 1.67943 0.04 . 2 . . . . . 83 ARG HB2 . 28052 1 787 . 1 . 1 83 83 ARG HB3 H 1 1.71304 0.04 . 2 . . . . . 83 ARG HB3 . 28052 1 788 . 1 . 1 83 83 ARG HG2 H 1 1.44147 0.04 . 1 . . . . . 83 ARG HG2 . 28052 1 789 . 1 . 1 83 83 ARG HG3 H 1 1.44147 0.04 . 1 . . . . . 83 ARG HG3 . 28052 1 790 . 1 . 1 83 83 ARG HD2 H 1 2.91193 0.04 . 2 . . . . . 83 ARG HD2 . 28052 1 791 . 1 . 1 83 83 ARG HD3 H 1 3.02289 0.04 . 2 . . . . . 83 ARG HD3 . 28052 1 792 . 1 . 1 83 83 ARG C C 13 174.42421 0.4 . 1 . . . . . 83 ARG C . 28052 1 793 . 1 . 1 83 83 ARG CA C 13 54.29761 0.4 . 1 . . . . . 83 ARG CA . 28052 1 794 . 1 . 1 83 83 ARG CB C 13 34.05159 0.4 . 1 . . . . . 83 ARG CB . 28052 1 795 . 1 . 1 83 83 ARG CG C 13 25.90671 0.4 . 1 . . . . . 83 ARG CG . 28052 1 796 . 1 . 1 83 83 ARG CD C 13 44.05228 0.4 . 1 . . . . . 83 ARG CD . 28052 1 797 . 1 . 1 83 83 ARG N N 15 121.72082 0.2 . 1 . . . . . 83 ARG N . 28052 1 798 . 1 . 1 84 84 THR H H 1 8.79299 0.04 . 1 . . . . . 84 THR H . 28052 1 799 . 1 . 1 84 84 THR HA H 1 4.30792 0.04 . 1 . . . . . 84 THR HA . 28052 1 800 . 1 . 1 84 84 THR HB H 1 3.95854 0.04 . 1 . . . . . 84 THR HB . 28052 1 801 . 1 . 1 84 84 THR HG21 H 1 1.15906 0.04 . 1 . . . . . 84 THR HG2* . 28052 1 802 . 1 . 1 84 84 THR HG22 H 1 1.15906 0.04 . 1 . . . . . 84 THR HG2* . 28052 1 803 . 1 . 1 84 84 THR HG23 H 1 1.15906 0.04 . 1 . . . . . 84 THR HG2* . 28052 1 804 . 1 . 1 84 84 THR C C 13 173.22502 0.4 . 1 . . . . . 84 THR C . 28052 1 805 . 1 . 1 84 84 THR CA C 13 64.89181 0.4 . 1 . . . . . 84 THR CA . 28052 1 806 . 1 . 1 84 84 THR CB C 13 68.87605 0.4 . 1 . . . . . 84 THR CB . 28052 1 807 . 1 . 1 84 84 THR CG2 C 13 22.30744 0.4 . 1 . . . . . 84 THR CG2 . 28052 1 808 . 1 . 1 84 84 THR N N 15 120.83535 0.2 . 1 . . . . . 84 THR N . 28052 1 809 . 1 . 1 85 85 ASP H H 1 9.18356 0.04 . 1 . . . . . 85 ASP H . 28052 1 810 . 1 . 1 85 85 ASP HA H 1 5.02419 0.04 . 1 . . . . . 85 ASP HA . 28052 1 811 . 1 . 1 85 85 ASP HB2 H 1 2.70363 0.04 . 1 . . . . . 85 ASP HB2 . 28052 1 812 . 1 . 1 85 85 ASP HB3 H 1 2.70363 0.04 . 1 . . . . . 85 ASP HB3 . 28052 1 813 . 1 . 1 85 85 ASP C C 13 177.13196 0.4 . 1 . . . . . 85 ASP C . 28052 1 814 . 1 . 1 85 85 ASP CA C 13 52.58547 0.4 . 1 . . . . . 85 ASP CA . 28052 1 815 . 1 . 1 85 85 ASP CB C 13 43.67236 0.4 . 1 . . . . . 85 ASP CB . 28052 1 816 . 1 . 1 85 85 ASP N N 15 127.7947 0.2 . 1 . . . . . 85 ASP N . 28052 1 817 . 1 . 1 86 86 THR H H 1 8.90094 0.04 . 1 . . . . . 86 THR H . 28052 1 818 . 1 . 1 86 86 THR HA H 1 5.30478 0.04 . 1 . . . . . 86 THR HA . 28052 1 819 . 1 . 1 86 86 THR HB H 1 4.62193 0.04 . 1 . . . . . 86 THR HB . 28052 1 820 . 1 . 1 86 86 THR HG21 H 1 1.12381 0.04 . 1 . . . . . 86 THR HG2* . 28052 1 821 . 1 . 1 86 86 THR HG22 H 1 1.12381 0.04 . 1 . . . . . 86 THR HG2* . 28052 1 822 . 1 . 1 86 86 THR HG23 H 1 1.12381 0.04 . 1 . . . . . 86 THR HG2* . 28052 1 823 . 1 . 1 86 86 THR C C 13 175.06494 0.4 . 1 . . . . . 86 THR C . 28052 1 824 . 1 . 1 86 86 THR CA C 13 60.82887 0.4 . 1 . . . . . 86 THR CA . 28052 1 825 . 1 . 1 86 86 THR CB C 13 67.96621 0.4 . 1 . . . . . 86 THR CB . 28052 1 826 . 1 . 1 86 86 THR CG2 C 13 21.45801 0.4 . 1 . . . . . 86 THR CG2 . 28052 1 827 . 1 . 1 86 86 THR N N 15 119.13443 0.2 . 1 . . . . . 86 THR N . 28052 1 828 . 1 . 1 87 87 SER H H 1 8.35222 0.04 . 1 . . . . . 87 SER H . 28052 1 829 . 1 . 1 87 87 SER N N 15 118.59751 0.2 . 1 . . . . . 87 SER N . 28052 1 830 . 1 . 1 88 88 HIS HA H 1 4.14241 0.04 . 1 . . . . . 88 HIS HA . 28052 1 831 . 1 . 1 88 88 HIS HB2 H 1 3.00027 0.04 . 2 . . . . . 88 HIS HB2 . 28052 1 832 . 1 . 1 88 88 HIS HB3 H 1 3.26415 0.04 . 2 . . . . . 88 HIS HB3 . 28052 1 833 . 1 . 1 88 88 HIS C C 13 175.03289 0.4 . 1 . . . . . 88 HIS C . 28052 1 834 . 1 . 1 88 88 HIS CA C 13 56.98849 0.4 . 1 . . . . . 88 HIS CA . 28052 1 835 . 1 . 1 88 88 HIS CB C 13 27.31818 0.4 . 1 . . . . . 88 HIS CB . 28052 1 836 . 1 . 1 89 89 GLY H H 1 8.54017 0.04 . 1 . . . . . 89 GLY H . 28052 1 837 . 1 . 1 89 89 GLY HA2 H 1 3.68665 0.04 . 2 . . . . . 89 GLY HA2 . 28052 1 838 . 1 . 1 89 89 GLY HA3 H 1 3.90865 0.04 . 2 . . . . . 89 GLY HA3 . 28052 1 839 . 1 . 1 89 89 GLY C C 13 173.95154 0.4 . 1 . . . . . 89 GLY C . 28052 1 840 . 1 . 1 89 89 GLY CA C 13 46.22394 0.4 . 1 . . . . . 89 GLY CA . 28052 1 841 . 1 . 1 89 89 GLY N N 15 105.42335 0.2 . 1 . . . . . 89 GLY N . 28052 1 842 . 1 . 1 90 90 MET H H 1 7.33336 0.04 . 1 . . . . . 90 MET H . 28052 1 843 . 1 . 1 90 90 MET HA H 1 4.60869 0.04 . 1 . . . . . 90 MET HA . 28052 1 844 . 1 . 1 90 90 MET HB2 H 1 1.90792 0.04 . 1 . . . . . 90 MET HB2 . 28052 1 845 . 1 . 1 90 90 MET HB3 H 1 1.90792 0.04 . 1 . . . . . 90 MET HB3 . 28052 1 846 . 1 . 1 90 90 MET HG2 H 1 2.38631 0.04 . 1 . . . . . 90 MET HG2 . 28052 1 847 . 1 . 1 90 90 MET HG3 H 1 2.38631 0.04 . 1 . . . . . 90 MET HG3 . 28052 1 848 . 1 . 1 90 90 MET C C 13 173.78002 0.4 . 1 . . . . . 90 MET C . 28052 1 849 . 1 . 1 90 90 MET CA C 13 54.12431 0.4 . 1 . . . . . 90 MET CA . 28052 1 850 . 1 . 1 90 90 MET CB C 13 36.73283 0.4 . 1 . . . . . 90 MET CB . 28052 1 851 . 1 . 1 90 90 MET CG C 13 31.4858 0.4 . 1 . . . . . 90 MET CG . 28052 1 852 . 1 . 1 90 90 MET N N 15 118.48619 0.2 . 1 . . . . . 90 MET N . 28052 1 853 . 1 . 1 91 91 VAL H H 1 8.11284 0.04 . 1 . . . . . 91 VAL H . 28052 1 854 . 1 . 1 91 91 VAL HA H 1 4.37652 0.04 . 1 . . . . . 91 VAL HA . 28052 1 855 . 1 . 1 91 91 VAL HB H 1 1.86164 0.04 . 1 . . . . . 91 VAL HB . 28052 1 856 . 1 . 1 91 91 VAL HG11 H 1 0.76435 0.04 . 2 . . . . . 91 VAL HG1* . 28052 1 857 . 1 . 1 91 91 VAL HG12 H 1 0.76435 0.04 . 2 . . . . . 91 VAL HG1* . 28052 1 858 . 1 . 1 91 91 VAL HG13 H 1 0.76435 0.04 . 2 . . . . . 91 VAL HG1* . 28052 1 859 . 1 . 1 91 91 VAL HG21 H 1 0.81641 0.04 . 2 . . . . . 91 VAL HG2* . 28052 1 860 . 1 . 1 91 91 VAL HG22 H 1 0.81641 0.04 . 2 . . . . . 91 VAL HG2* . 28052 1 861 . 1 . 1 91 91 VAL HG23 H 1 0.81641 0.04 . 2 . . . . . 91 VAL HG2* . 28052 1 862 . 1 . 1 91 91 VAL C C 13 175.65966 0.4 . 1 . . . . . 91 VAL C . 28052 1 863 . 1 . 1 91 91 VAL CA C 13 63.11833 0.4 . 1 . . . . . 91 VAL CA . 28052 1 864 . 1 . 1 91 91 VAL CB C 13 32.4955 0.4 . 1 . . . . . 91 VAL CB . 28052 1 865 . 1 . 1 91 91 VAL CG1 C 13 21.23252 0.4 . 2 . . . . . 91 VAL CG1 . 28052 1 866 . 1 . 1 91 91 VAL CG2 C 13 21.12206 0.4 . 2 . . . . . 91 VAL CG2 . 28052 1 867 . 1 . 1 91 91 VAL N N 15 119.57301 0.2 . 1 . . . . . 91 VAL N . 28052 1 868 . 1 . 1 92 92 ARG H H 1 8.68279 0.04 . 1 . . . . . 92 ARG H . 28052 1 869 . 1 . 1 92 92 ARG HA H 1 4.68242 0.04 . 1 . . . . . 92 ARG HA . 28052 1 870 . 1 . 1 92 92 ARG HB2 H 1 1.49741 0.04 . 2 . . . . . 92 ARG HB2 . 28052 1 871 . 1 . 1 92 92 ARG HB3 H 1 1.70162 0.04 . 2 . . . . . 92 ARG HB3 . 28052 1 872 . 1 . 1 92 92 ARG C C 13 174.77359 0.4 . 1 . . . . . 92 ARG C . 28052 1 873 . 1 . 1 92 92 ARG CA C 13 53.97452 0.4 . 1 . . . . . 92 ARG CA . 28052 1 874 . 1 . 1 92 92 ARG CB C 13 37.13073 0.4 . 1 . . . . . 92 ARG CB . 28052 1 875 . 1 . 1 92 92 ARG N N 15 125.76015 0.2 . 1 . . . . . 92 ARG N . 28052 1 876 . 1 . 1 93 93 THR H H 1 9.37339 0.04 . 1 . . . . . 93 THR H . 28052 1 877 . 1 . 1 93 93 THR HA H 1 4.61366 0.04 . 1 . . . . . 93 THR HA . 28052 1 878 . 1 . 1 93 93 THR HB H 1 4.01122 0.04 . 1 . . . . . 93 THR HB . 28052 1 879 . 1 . 1 93 93 THR HG21 H 1 0.93115 0.04 . 1 . . . . . 93 THR HG2* . 28052 1 880 . 1 . 1 93 93 THR HG22 H 1 0.93115 0.04 . 1 . . . . . 93 THR HG2* . 28052 1 881 . 1 . 1 93 93 THR HG23 H 1 0.93115 0.04 . 1 . . . . . 93 THR HG2* . 28052 1 882 . 1 . 1 93 93 THR C C 13 173.96059 0.4 . 1 . . . . . 93 THR C . 28052 1 883 . 1 . 1 93 93 THR CA C 13 62.04421 0.4 . 1 . . . . . 93 THR CA . 28052 1 884 . 1 . 1 93 93 THR CB C 13 68.65128 0.4 . 1 . . . . . 93 THR CB . 28052 1 885 . 1 . 1 93 93 THR CG2 C 13 22.71602 0.4 . 1 . . . . . 93 THR CG2 . 28052 1 886 . 1 . 1 93 93 THR N N 15 120.04894 0.2 . 1 . . . . . 93 THR N . 28052 1 887 . 1 . 1 94 94 GLU H H 1 9.31101 0.04 . 1 . . . . . 94 GLU H . 28052 1 888 . 1 . 1 94 94 GLU C C 13 174.0574 0.4 . 1 . . . . . 94 GLU C . 28052 1 889 . 1 . 1 94 94 GLU N N 15 129.61746 0.2 . 1 . . . . . 94 GLU N . 28052 1 890 . 1 . 1 95 95 VAL H H 1 8.03599 0.04 . 1 . . . . . 95 VAL H . 28052 1 891 . 1 . 1 95 95 VAL HA H 1 4.76621 0.04 . 1 . . . . . 95 VAL HA . 28052 1 892 . 1 . 1 95 95 VAL HB H 1 1.3061 0.04 . 1 . . . . . 95 VAL HB . 28052 1 893 . 1 . 1 95 95 VAL HG11 H 1 0.64722 0.04 . 2 . . . . . 95 VAL HG1* . 28052 1 894 . 1 . 1 95 95 VAL HG12 H 1 0.64722 0.04 . 2 . . . . . 95 VAL HG1* . 28052 1 895 . 1 . 1 95 95 VAL HG13 H 1 0.64722 0.04 . 2 . . . . . 95 VAL HG1* . 28052 1 896 . 1 . 1 95 95 VAL HG21 H 1 0.78325 0.04 . 2 . . . . . 95 VAL HG2* . 28052 1 897 . 1 . 1 95 95 VAL HG22 H 1 0.78325 0.04 . 2 . . . . . 95 VAL HG2* . 28052 1 898 . 1 . 1 95 95 VAL HG23 H 1 0.78325 0.04 . 2 . . . . . 95 VAL HG2* . 28052 1 899 . 1 . 1 95 95 VAL C C 13 174.67338 0.4 . 1 . . . . . 95 VAL C . 28052 1 900 . 1 . 1 95 95 VAL CA C 13 60.17807 0.4 . 1 . . . . . 95 VAL CA . 28052 1 901 . 1 . 1 95 95 VAL CB C 13 33.62337 0.4 . 1 . . . . . 95 VAL CB . 28052 1 902 . 1 . 1 95 95 VAL CG1 C 13 21.34005 0.4 . 2 . . . . . 95 VAL CG1 . 28052 1 903 . 1 . 1 95 95 VAL CG2 C 13 22.29926 0.4 . 2 . . . . . 95 VAL CG2 . 28052 1 904 . 1 . 1 95 95 VAL N N 15 122.70664 0.2 . 1 . . . . . 95 VAL N . 28052 1 905 . 1 . 1 96 96 ILE H H 1 8.75214 0.04 . 1 . . . . . 96 ILE H . 28052 1 906 . 1 . 1 96 96 ILE HA H 1 4.85944 0.04 . 1 . . . . . 96 ILE HA . 28052 1 907 . 1 . 1 96 96 ILE HB H 1 1.40524 0.04 . 1 . . . . . 96 ILE HB . 28052 1 908 . 1 . 1 96 96 ILE HG12 H 1 0.77729 0.04 . 2 . . . . . 96 ILE HG12 . 28052 1 909 . 1 . 1 96 96 ILE HG13 H 1 0.92935 0.04 . 2 . . . . . 96 ILE HG13 . 28052 1 910 . 1 . 1 96 96 ILE HG21 H 1 0.52321 0.04 . 1 . . . . . 96 ILE HG2* . 28052 1 911 . 1 . 1 96 96 ILE HG22 H 1 0.52321 0.04 . 1 . . . . . 96 ILE HG2* . 28052 1 912 . 1 . 1 96 96 ILE HG23 H 1 0.52321 0.04 . 1 . . . . . 96 ILE HG2* . 28052 1 913 . 1 . 1 96 96 ILE HD11 H 1 0.4883 0.04 . 1 . . . . . 96 ILE HD1* . 28052 1 914 . 1 . 1 96 96 ILE HD12 H 1 0.4883 0.04 . 1 . . . . . 96 ILE HD1* . 28052 1 915 . 1 . 1 96 96 ILE HD13 H 1 0.4883 0.04 . 1 . . . . . 96 ILE HD1* . 28052 1 916 . 1 . 1 96 96 ILE C C 13 174.62873 0.4 . 1 . . . . . 96 ILE C . 28052 1 917 . 1 . 1 96 96 ILE CA C 13 58.30371 0.4 . 1 . . . . . 96 ILE CA . 28052 1 918 . 1 . 1 96 96 ILE CB C 13 41.15187 0.4 . 1 . . . . . 96 ILE CB . 28052 1 919 . 1 . 1 96 96 ILE CG1 C 13 26.92189 0.4 . 1 . . . . . 96 ILE CG1 . 28052 1 920 . 1 . 1 96 96 ILE CG2 C 13 17.04016 0.4 . 1 . . . . . 96 ILE CG2 . 28052 1 921 . 1 . 1 96 96 ILE CD1 C 13 12.84314 0.4 . 1 . . . . . 96 ILE CD1 . 28052 1 922 . 1 . 1 96 96 ILE N N 15 121.98412 0.2 . 1 . . . . . 96 ILE N . 28052 1 923 . 1 . 1 97 97 CYS H H 1 8.452 0.04 . 1 . . . . . 97 CYS H . 28052 1 924 . 1 . 1 97 97 CYS HA H 1 4.02112 0.04 . 1 . . . . . 97 CYS HA . 28052 1 925 . 1 . 1 97 97 CYS HB2 H 1 2.82327 0.04 . 2 . . . . . 97 CYS HB2 . 28052 1 926 . 1 . 1 97 97 CYS HB3 H 1 3.09575 0.04 . 2 . . . . . 97 CYS HB3 . 28052 1 927 . 1 . 1 97 97 CYS C C 13 177.27162 0.4 . 1 . . . . . 97 CYS C . 28052 1 928 . 1 . 1 97 97 CYS CA C 13 60.05647 0.4 . 1 . . . . . 97 CYS CA . 28052 1 929 . 1 . 1 97 97 CYS CB C 13 31.60654 0.4 . 1 . . . . . 97 CYS CB . 28052 1 930 . 1 . 1 97 97 CYS N N 15 125.38381 0.2 . 1 . . . . . 97 CYS N . 28052 1 931 . 1 . 1 98 98 ALA H H 1 8.11176 0.04 . 1 . . . . . 98 ALA H . 28052 1 932 . 1 . 1 98 98 ALA HA H 1 3.87012 0.04 . 1 . . . . . 98 ALA HA . 28052 1 933 . 1 . 1 98 98 ALA HB1 H 1 1.08911 0.04 . 1 . . . . . 98 ALA HB* . 28052 1 934 . 1 . 1 98 98 ALA HB2 H 1 1.08911 0.04 . 1 . . . . . 98 ALA HB* . 28052 1 935 . 1 . 1 98 98 ALA HB3 H 1 1.08911 0.04 . 1 . . . . . 98 ALA HB* . 28052 1 936 . 1 . 1 98 98 ALA C C 13 177.10781 0.4 . 1 . . . . . 98 ALA C . 28052 1 937 . 1 . 1 98 98 ALA CA C 13 54.67501 0.4 . 1 . . . . . 98 ALA CA . 28052 1 938 . 1 . 1 98 98 ALA CB C 13 18.83592 0.4 . 1 . . . . . 98 ALA CB . 28052 1 939 . 1 . 1 98 98 ALA N N 15 130.60208 0.2 . 1 . . . . . 98 ALA N . 28052 1 940 . 1 . 1 99 99 ASN H H 1 8.8694 0.04 . 1 . . . . . 99 ASN H . 28052 1 941 . 1 . 1 99 99 ASN HA H 1 4.68957 0.04 . 1 . . . . . 99 ASN HA . 28052 1 942 . 1 . 1 99 99 ASN HB2 H 1 2.55011 0.04 . 2 . . . . . 99 ASN HB2 . 28052 1 943 . 1 . 1 99 99 ASN HB3 H 1 3.22245 0.04 . 2 . . . . . 99 ASN HB3 . 28052 1 944 . 1 . 1 99 99 ASN HD21 H 1 6.94048 0.04 . 2 . . . . . 99 ASN HD21 . 28052 1 945 . 1 . 1 99 99 ASN HD22 H 1 8.00187 0.04 . 2 . . . . . 99 ASN HD22 . 28052 1 946 . 1 . 1 99 99 ASN C C 13 175.60703 0.4 . 1 . . . . . 99 ASN C . 28052 1 947 . 1 . 1 99 99 ASN CA C 13 55.6013 0.4 . 1 . . . . . 99 ASN CA . 28052 1 948 . 1 . 1 99 99 ASN CB C 13 39.89961 0.4 . 1 . . . . . 99 ASN CB . 28052 1 949 . 1 . 1 99 99 ASN N N 15 118.05864 0.2 . 1 . . . . . 99 ASN N . 28052 1 950 . 1 . 1 99 99 ASN ND2 N 15 116.76432 0.2 . 1 . . . . . 99 ASN ND2 . 28052 1 951 . 1 . 1 100 100 CYS H H 1 8.18175 0.04 . 1 . . . . . 100 CYS H . 28052 1 952 . 1 . 1 100 100 CYS HA H 1 4.75475 0.04 . 1 . . . . . 100 CYS HA . 28052 1 953 . 1 . 1 100 100 CYS HB2 H 1 2.33715 0.04 . 2 . . . . . 100 CYS HB2 . 28052 1 954 . 1 . 1 100 100 CYS HB3 H 1 3.46794 0.04 . 2 . . . . . 100 CYS HB3 . 28052 1 955 . 1 . 1 100 100 CYS C C 13 175.21912 0.4 . 1 . . . . . 100 CYS C . 28052 1 956 . 1 . 1 100 100 CYS CA C 13 58.05023 0.4 . 1 . . . . . 100 CYS CA . 28052 1 957 . 1 . 1 100 100 CYS CB C 13 32.79839 0.4 . 1 . . . . . 100 CYS CB . 28052 1 958 . 1 . 1 100 100 CYS N N 15 115.34068 0.2 . 1 . . . . . 100 CYS N . 28052 1 959 . 1 . 1 101 101 GLU H H 1 8.05025 0.04 . 1 . . . . . 101 GLU H . 28052 1 960 . 1 . 1 101 101 GLU HA H 1 3.99354 0.04 . 1 . . . . . 101 GLU HA . 28052 1 961 . 1 . 1 101 101 GLU HB2 H 1 2.17658 0.04 . 2 . . . . . 101 GLU HB2 . 28052 1 962 . 1 . 1 101 101 GLU HB3 H 1 2.22687 0.04 . 2 . . . . . 101 GLU HB3 . 28052 1 963 . 1 . 1 101 101 GLU HG2 H 1 1.8914 0.04 . 2 . . . . . 101 GLU HG2 . 28052 1 964 . 1 . 1 101 101 GLU HG3 H 1 1.93305 0.04 . 2 . . . . . 101 GLU HG3 . 28052 1 965 . 1 . 1 101 101 GLU C C 13 174.96474 0.4 . 1 . . . . . 101 GLU C . 28052 1 966 . 1 . 1 101 101 GLU CA C 13 58.13239 0.4 . 1 . . . . . 101 GLU CA . 28052 1 967 . 1 . 1 101 101 GLU CB C 13 26.28967 0.4 . 1 . . . . . 101 GLU CB . 28052 1 968 . 1 . 1 101 101 GLU CG C 13 37.3521 0.4 . 1 . . . . . 101 GLU CG . 28052 1 969 . 1 . 1 101 101 GLU N N 15 118.42193 0.2 . 1 . . . . . 101 GLU N . 28052 1 970 . 1 . 1 102 102 SER H H 1 8.33033 0.04 . 1 . . . . . 102 SER H . 28052 1 971 . 1 . 1 102 102 SER HA H 1 4.1791 0.04 . 1 . . . . . 102 SER HA . 28052 1 972 . 1 . 1 102 102 SER HB2 H 1 3.19027 0.04 . 2 . . . . . 102 SER HB2 . 28052 1 973 . 1 . 1 102 102 SER HB3 H 1 3.63625 0.04 . 2 . . . . . 102 SER HB3 . 28052 1 974 . 1 . 1 102 102 SER C C 13 173.34075 0.4 . 1 . . . . . 102 SER C . 28052 1 975 . 1 . 1 102 102 SER CA C 13 60.15336 0.4 . 1 . . . . . 102 SER CA . 28052 1 976 . 1 . 1 102 102 SER CB C 13 63.02209 0.4 . 1 . . . . . 102 SER CB . 28052 1 977 . 1 . 1 102 102 SER N N 15 116.1839 0.2 . 1 . . . . . 102 SER N . 28052 1 978 . 1 . 1 103 103 HIS H H 1 9.42337 0.04 . 1 . . . . . 103 HIS H . 28052 1 979 . 1 . 1 103 103 HIS HA H 1 3.98477 0.04 . 1 . . . . . 103 HIS HA . 28052 1 980 . 1 . 1 103 103 HIS HB2 H 1 2.92512 0.04 . 2 . . . . . 103 HIS HB2 . 28052 1 981 . 1 . 1 103 103 HIS HB3 H 1 3.68005 0.04 . 2 . . . . . 103 HIS HB3 . 28052 1 982 . 1 . 1 103 103 HIS HD2 H 1 6.90835 0.04 . 1 . . . . . 103 HIS HD2 . 28052 1 983 . 1 . 1 103 103 HIS C C 13 172.97353 0.4 . 1 . . . . . 103 HIS C . 28052 1 984 . 1 . 1 103 103 HIS CA C 13 58.10426 0.4 . 1 . . . . . 103 HIS CA . 28052 1 985 . 1 . 1 103 103 HIS CB C 13 28.05618 0.4 . 1 . . . . . 103 HIS CB . 28052 1 986 . 1 . 1 103 103 HIS CD2 C 13 121.58662 0.4 . 1 . . . . . 103 HIS CD2 . 28052 1 987 . 1 . 1 103 103 HIS N N 15 123.04744 0.2 . 1 . . . . . 103 HIS N . 28052 1 988 . 1 . 1 104 104 LEU H H 1 7.83322 0.04 . 1 . . . . . 104 LEU H . 28052 1 989 . 1 . 1 104 104 LEU HA H 1 4.69536 0.04 . 1 . . . . . 104 LEU HA . 28052 1 990 . 1 . 1 104 104 LEU HB2 H 1 1.1524 0.04 . 1 . . . . . 104 LEU HB2 . 28052 1 991 . 1 . 1 104 104 LEU HB3 H 1 1.25042 0.04 . 1 . . . . . 104 LEU HB3 . 28052 1 992 . 1 . 1 104 104 LEU HG H 1 1.59293 0.04 . 1 . . . . . 104 LEU HG . 28052 1 993 . 1 . 1 104 104 LEU HD11 H 1 0.5515 0.04 . 2 . . . . . 104 LEU HD1* . 28052 1 994 . 1 . 1 104 104 LEU HD12 H 1 0.5515 0.04 . 2 . . . . . 104 LEU HD1* . 28052 1 995 . 1 . 1 104 104 LEU HD13 H 1 0.5515 0.04 . 2 . . . . . 104 LEU HD1* . 28052 1 996 . 1 . 1 104 104 LEU HD21 H 1 0.71112 0.04 . 2 . . . . . 104 LEU HD2* . 28052 1 997 . 1 . 1 104 104 LEU HD22 H 1 0.71112 0.04 . 2 . . . . . 104 LEU HD2* . 28052 1 998 . 1 . 1 104 104 LEU HD23 H 1 0.71112 0.04 . 2 . . . . . 104 LEU HD2* . 28052 1 999 . 1 . 1 104 104 LEU C C 13 176.80946 0.4 . 1 . . . . . 104 LEU C . 28052 1 1000 . 1 . 1 104 104 LEU CA C 13 54.45874 0.4 . 1 . . . . . 104 LEU CA . 28052 1 1001 . 1 . 1 104 104 LEU CB C 13 44.1225 0.4 . 1 . . . . . 104 LEU CB . 28052 1 1002 . 1 . 1 104 104 LEU CG C 13 26.62808 0.4 . 1 . . . . . 104 LEU CG . 28052 1 1003 . 1 . 1 104 104 LEU CD1 C 13 27.92702 0.4 . 2 . . . . . 104 LEU CD1 . 28052 1 1004 . 1 . 1 104 104 LEU CD2 C 13 22.45077 0.4 . 2 . . . . . 104 LEU CD2 . 28052 1 1005 . 1 . 1 104 104 LEU N N 15 120.77696 0.2 . 1 . . . . . 104 LEU N . 28052 1 1006 . 1 . 1 105 105 GLY H H 1 6.4533 0.04 . 1 . . . . . 105 GLY H . 28052 1 1007 . 1 . 1 105 105 GLY HA2 H 1 3.07686 0.04 . 2 . . . . . 105 GLY HA2 . 28052 1 1008 . 1 . 1 105 105 GLY HA3 H 1 4.79799 0.04 . 2 . . . . . 105 GLY HA3 . 28052 1 1009 . 1 . 1 105 105 GLY C C 13 171.32547 0.4 . 1 . . . . . 105 GLY C . 28052 1 1010 . 1 . 1 105 105 GLY CA C 13 45.66309 0.4 . 1 . . . . . 105 GLY CA . 28052 1 1011 . 1 . 1 105 105 GLY N N 15 102.73366 0.2 . 1 . . . . . 105 GLY N . 28052 1 1012 . 1 . 1 106 106 HIS H H 1 8.36161 0.04 . 1 . . . . . 106 HIS H . 28052 1 1013 . 1 . 1 106 106 HIS HA H 1 5.18674 0.04 . 1 . . . . . 106 HIS HA . 28052 1 1014 . 1 . 1 106 106 HIS HB2 H 1 2.25686 0.04 . 2 . . . . . 106 HIS HB2 . 28052 1 1015 . 1 . 1 106 106 HIS HB3 H 1 2.54578 0.04 . 2 . . . . . 106 HIS HB3 . 28052 1 1016 . 1 . 1 106 106 HIS HD2 H 1 6.28803 0.04 . 1 . . . . . 106 HIS HD2 . 28052 1 1017 . 1 . 1 106 106 HIS C C 13 172.46698 0.4 . 1 . . . . . 106 HIS C . 28052 1 1018 . 1 . 1 106 106 HIS CA C 13 56.79063 0.4 . 1 . . . . . 106 HIS CA . 28052 1 1019 . 1 . 1 106 106 HIS CB C 13 36.48608 0.4 . 1 . . . . . 106 HIS CB . 28052 1 1020 . 1 . 1 106 106 HIS CD2 C 13 116.71019 0.4 . 1 . . . . . 106 HIS CD2 . 28052 1 1021 . 1 . 1 106 106 HIS N N 15 121.54448 0.2 . 1 . . . . . 106 HIS N . 28052 1 1022 . 1 . 1 107 107 VAL H H 1 8.26154 0.04 . 1 . . . . . 107 VAL H . 28052 1 1023 . 1 . 1 107 107 VAL HA H 1 5.1414 0.04 . 1 . . . . . 107 VAL HA . 28052 1 1024 . 1 . 1 107 107 VAL HB H 1 0.98567 0.04 . 1 . . . . . 107 VAL HB . 28052 1 1025 . 1 . 1 107 107 VAL HG11 H 1 -0.16496 0.04 . 2 . . . . . 107 VAL HG1* . 28052 1 1026 . 1 . 1 107 107 VAL HG12 H 1 -0.16496 0.04 . 2 . . . . . 107 VAL HG1* . 28052 1 1027 . 1 . 1 107 107 VAL HG13 H 1 -0.16496 0.04 . 2 . . . . . 107 VAL HG1* . 28052 1 1028 . 1 . 1 107 107 VAL HG21 H 1 0.41277 0.04 . 2 . . . . . 107 VAL HG2* . 28052 1 1029 . 1 . 1 107 107 VAL HG22 H 1 0.41277 0.04 . 2 . . . . . 107 VAL HG2* . 28052 1 1030 . 1 . 1 107 107 VAL HG23 H 1 0.41277 0.04 . 2 . . . . . 107 VAL HG2* . 28052 1 1031 . 1 . 1 107 107 VAL C C 13 172.97325 0.4 . 1 . . . . . 107 VAL C . 28052 1 1032 . 1 . 1 107 107 VAL CA C 13 57.72666 0.4 . 1 . . . . . 107 VAL CA . 28052 1 1033 . 1 . 1 107 107 VAL CB C 13 34.5855 0.4 . 1 . . . . . 107 VAL CB . 28052 1 1034 . 1 . 1 107 107 VAL CG1 C 13 20.40745 0.4 . 2 . . . . . 107 VAL CG1 . 28052 1 1035 . 1 . 1 107 107 VAL CG2 C 13 18.31096 0.4 . 2 . . . . . 107 VAL CG2 . 28052 1 1036 . 1 . 1 107 107 VAL N N 15 117.60727 0.2 . 1 . . . . . 107 VAL N . 28052 1 1037 . 1 . 1 108 108 PHE H H 1 8.51107 0.04 . 1 . . . . . 108 PHE H . 28052 1 1038 . 1 . 1 108 108 PHE HB2 H 1 2.95005 0.04 . 1 . . . . . 108 PHE HB2 . 28052 1 1039 . 1 . 1 108 108 PHE HB3 H 1 2.95005 0.04 . 1 . . . . . 108 PHE HB3 . 28052 1 1040 . 1 . 1 108 108 PHE HD1 H 1 7.16291 0.04 . 3 . . . . . 108 PHE HD* . 28052 1 1041 . 1 . 1 108 108 PHE HD2 H 1 7.16291 0.04 . 3 . . . . . 108 PHE HD* . 28052 1 1042 . 1 . 1 108 108 PHE HE1 H 1 7.06242 0.04 . 3 . . . . . 108 PHE HE* . 28052 1 1043 . 1 . 1 108 108 PHE HE2 H 1 7.06242 0.04 . 3 . . . . . 108 PHE HE* . 28052 1 1044 . 1 . 1 108 108 PHE C C 13 174.8657 0.4 . 1 . . . . . 108 PHE C . 28052 1 1045 . 1 . 1 108 108 PHE CB C 13 42.31581 0.4 . 1 . . . . . 108 PHE CB . 28052 1 1046 . 1 . 1 108 108 PHE CD1 C 13 132.44127 0.4 . 3 . . . . . 108 PHE CD* . 28052 1 1047 . 1 . 1 108 108 PHE CD2 C 13 132.44127 0.4 . 3 . . . . . 108 PHE CD* . 28052 1 1048 . 1 . 1 108 108 PHE CE1 C 13 130.72183 0.4 . 3 . . . . . 108 PHE CE* . 28052 1 1049 . 1 . 1 108 108 PHE CE2 C 13 130.72183 0.4 . 3 . . . . . 108 PHE CE* . 28052 1 1050 . 1 . 1 108 108 PHE N N 15 127.29308 0.2 . 1 . . . . . 108 PHE N . 28052 1 1051 . 1 . 1 109 109 ALA H H 1 9.31106 0.04 . 1 . . . . . 109 ALA H . 28052 1 1052 . 1 . 1 109 109 ALA HA H 1 5.31372 0.04 . 1 . . . . . 109 ALA HA . 28052 1 1053 . 1 . 1 109 109 ALA HB1 H 1 1.36172 0.04 . 1 . . . . . 109 ALA HB* . 28052 1 1054 . 1 . 1 109 109 ALA HB2 H 1 1.36172 0.04 . 1 . . . . . 109 ALA HB* . 28052 1 1055 . 1 . 1 109 109 ALA HB3 H 1 1.36172 0.04 . 1 . . . . . 109 ALA HB* . 28052 1 1056 . 1 . 1 109 109 ALA C C 13 179.00171 0.4 . 1 . . . . . 109 ALA C . 28052 1 1057 . 1 . 1 109 109 ALA CA C 13 51.01462 0.4 . 1 . . . . . 109 ALA CA . 28052 1 1058 . 1 . 1 109 109 ALA CB C 13 22.22985 0.4 . 1 . . . . . 109 ALA CB . 28052 1 1059 . 1 . 1 109 109 ALA N N 15 129.66986 0.2 . 1 . . . . . 109 ALA N . 28052 1 1060 . 1 . 1 110 110 GLY H H 1 8.46755 0.04 . 1 . . . . . 110 GLY H . 28052 1 1061 . 1 . 1 110 110 GLY HA2 H 1 3.89114 0.04 . 2 . . . . . 110 GLY HA2 . 28052 1 1062 . 1 . 1 110 110 GLY HA3 H 1 4.33605 0.04 . 2 . . . . . 110 GLY HA3 . 28052 1 1063 . 1 . 1 110 110 GLY C C 13 176.64153 0.4 . 1 . . . . . 110 GLY C . 28052 1 1064 . 1 . 1 110 110 GLY CA C 13 47.09943 0.4 . 1 . . . . . 110 GLY CA . 28052 1 1065 . 1 . 1 110 110 GLY N N 15 106.73272 0.2 . 1 . . . . . 110 GLY N . 28052 1 1066 . 1 . 1 111 111 GLU H H 1 7.96013 0.04 . 1 . . . . . 111 GLU H . 28052 1 1067 . 1 . 1 111 111 GLU HA H 1 4.03774 0.04 . 1 . . . . . 111 GLU HA . 28052 1 1068 . 1 . 1 111 111 GLU HB2 H 1 2.02811 0.04 . 1 . . . . . 111 GLU HB2 . 28052 1 1069 . 1 . 1 111 111 GLU HB3 H 1 2.02811 0.04 . 1 . . . . . 111 GLU HB3 . 28052 1 1070 . 1 . 1 111 111 GLU HG2 H 1 2.13174 0.04 . 1 . . . . . 111 GLU HG2 . 28052 1 1071 . 1 . 1 111 111 GLU HG3 H 1 2.13174 0.04 . 1 . . . . . 111 GLU HG3 . 28052 1 1072 . 1 . 1 111 111 GLU C C 13 177.21589 0.4 . 1 . . . . . 111 GLU C . 28052 1 1073 . 1 . 1 111 111 GLU CA C 13 56.95964 0.4 . 1 . . . . . 111 GLU CA . 28052 1 1074 . 1 . 1 111 111 GLU CB C 13 31.54336 0.4 . 1 . . . . . 111 GLU CB . 28052 1 1075 . 1 . 1 111 111 GLU CG C 13 37.39874 0.4 . 1 . . . . . 111 GLU CG . 28052 1 1076 . 1 . 1 111 111 GLU N N 15 115.65558 0.2 . 1 . . . . . 111 GLU N . 28052 1 1077 . 1 . 1 112 112 GLY H H 1 9.21961 0.04 . 1 . . . . . 112 GLY H . 28052 1 1078 . 1 . 1 112 112 GLY HA2 H 1 3.6354 0.04 . 2 . . . . . 112 GLY HA2 . 28052 1 1079 . 1 . 1 112 112 GLY HA3 H 1 3.82503 0.04 . 2 . . . . . 112 GLY HA3 . 28052 1 1080 . 1 . 1 112 112 GLY C C 13 176.17084 0.4 . 1 . . . . . 112 GLY C . 28052 1 1081 . 1 . 1 112 112 GLY CA C 13 46.03516 0.4 . 1 . . . . . 112 GLY CA . 28052 1 1082 . 1 . 1 112 112 GLY N N 15 108.66721 0.2 . 1 . . . . . 112 GLY N . 28052 1 1083 . 1 . 1 113 113 TYR H H 1 7.5254 0.04 . 1 . . . . . 113 TYR H . 28052 1 1084 . 1 . 1 113 113 TYR HA H 1 4.19897 0.04 . 1 . . . . . 113 TYR HA . 28052 1 1085 . 1 . 1 113 113 TYR HB2 H 1 2.67046 0.04 . 2 . . . . . 113 TYR HB2 . 28052 1 1086 . 1 . 1 113 113 TYR HB3 H 1 2.87281 0.04 . 2 . . . . . 113 TYR HB3 . 28052 1 1087 . 1 . 1 113 113 TYR C C 13 175.72272 0.4 . 1 . . . . . 113 TYR C . 28052 1 1088 . 1 . 1 113 113 TYR CA C 13 59.95433 0.4 . 1 . . . . . 113 TYR CA . 28052 1 1089 . 1 . 1 113 113 TYR CB C 13 37.85538 0.4 . 1 . . . . . 113 TYR CB . 28052 1 1090 . 1 . 1 113 113 TYR N N 15 118.17281 0.2 . 1 . . . . . 113 TYR N . 28052 1 1091 . 1 . 1 114 114 ASP H H 1 8.75669 0.04 . 1 . . . . . 114 ASP H . 28052 1 1092 . 1 . 1 114 114 ASP HA H 1 4.56376 0.04 . 1 . . . . . 114 ASP HA . 28052 1 1093 . 1 . 1 114 114 ASP HB2 H 1 2.47408 0.04 . 2 . . . . . 114 ASP HB2 . 28052 1 1094 . 1 . 1 114 114 ASP HB3 H 1 2.75729 0.04 . 2 . . . . . 114 ASP HB3 . 28052 1 1095 . 1 . 1 114 114 ASP C C 13 174.72629 0.4 . 1 . . . . . 114 ASP C . 28052 1 1096 . 1 . 1 114 114 ASP CA C 13 53.38047 0.4 . 1 . . . . . 114 ASP CA . 28052 1 1097 . 1 . 1 114 114 ASP CB C 13 38.73824 0.4 . 1 . . . . . 114 ASP CB . 28052 1 1098 . 1 . 1 114 114 ASP N N 15 121.30166 0.2 . 1 . . . . . 114 ASP N . 28052 1 1099 . 1 . 1 115 115 THR H H 1 7.75668 0.04 . 1 . . . . . 115 THR H . 28052 1 1100 . 1 . 1 115 115 THR HA H 1 4.26893 0.04 . 1 . . . . . 115 THR HA . 28052 1 1101 . 1 . 1 115 115 THR HB H 1 3.32175 0.04 . 1 . . . . . 115 THR HB . 28052 1 1102 . 1 . 1 115 115 THR HG21 H 1 0.11432 0.04 . 1 . . . . . 115 THR HG2* . 28052 1 1103 . 1 . 1 115 115 THR HG22 H 1 0.11432 0.04 . 1 . . . . . 115 THR HG2* . 28052 1 1104 . 1 . 1 115 115 THR HG23 H 1 0.11432 0.04 . 1 . . . . . 115 THR HG2* . 28052 1 1105 . 1 . 1 115 115 THR C C 13 174.39621 0.4 . 1 . . . . . 115 THR C . 28052 1 1106 . 1 . 1 115 115 THR CA C 13 58.18181 0.4 . 1 . . . . . 115 THR CA . 28052 1 1107 . 1 . 1 115 115 THR CB C 13 69.40281 0.4 . 1 . . . . . 115 THR CB . 28052 1 1108 . 1 . 1 115 115 THR CG2 C 13 19.33221 0.4 . 1 . . . . . 115 THR CG2 . 28052 1 1109 . 1 . 1 115 115 THR N N 15 114.13479 0.2 . 1 . . . . . 115 THR N . 28052 1 1110 . 1 . 1 116 116 PRO HA H 1 4.2394 0.04 . 1 . . . . . 116 PRO HA . 28052 1 1111 . 1 . 1 116 116 PRO HB2 H 1 1.66171 0.04 . 2 . . . . . 116 PRO HB2 . 28052 1 1112 . 1 . 1 116 116 PRO HB3 H 1 2.27183 0.04 . 2 . . . . . 116 PRO HB3 . 28052 1 1113 . 1 . 1 116 116 PRO HG2 H 1 1.70174 0.04 . 1 . . . . . 116 PRO HG2 . 28052 1 1114 . 1 . 1 116 116 PRO HG3 H 1 1.70174 0.04 . 1 . . . . . 116 PRO HG3 . 28052 1 1115 . 1 . 1 116 116 PRO HD2 H 1 1.48802 0.04 . 2 . . . . . 116 PRO HD2 . 28052 1 1116 . 1 . 1 116 116 PRO HD3 H 1 3.08125 0.04 . 2 . . . . . 116 PRO HD3 . 28052 1 1117 . 1 . 1 116 116 PRO C C 13 177.69393 0.4 . 1 . . . . . 116 PRO C . 28052 1 1118 . 1 . 1 116 116 PRO CA C 13 64.10287 0.4 . 1 . . . . . 116 PRO CA . 28052 1 1119 . 1 . 1 116 116 PRO CB C 13 32.51164 0.4 . 1 . . . . . 116 PRO CB . 28052 1 1120 . 1 . 1 116 116 PRO CG C 13 27.9932 0.4 . 1 . . . . . 116 PRO CG . 28052 1 1121 . 1 . 1 116 116 PRO CD C 13 49.70308 0.4 . 1 . . . . . 116 PRO CD . 28052 1 1122 . 1 . 1 117 117 THR H H 1 6.55442 0.04 . 1 . . . . . 117 THR H . 28052 1 1123 . 1 . 1 117 117 THR HA H 1 4.38933 0.04 . 1 . . . . . 117 THR HA . 28052 1 1124 . 1 . 1 117 117 THR HB H 1 4.45273 0.04 . 1 . . . . . 117 THR HB . 28052 1 1125 . 1 . 1 117 117 THR HG21 H 1 1.39485 0.04 . 1 . . . . . 117 THR HG2* . 28052 1 1126 . 1 . 1 117 117 THR HG22 H 1 1.39485 0.04 . 1 . . . . . 117 THR HG2* . 28052 1 1127 . 1 . 1 117 117 THR HG23 H 1 1.39485 0.04 . 1 . . . . . 117 THR HG2* . 28052 1 1128 . 1 . 1 117 117 THR C C 13 175.29938 0.4 . 1 . . . . . 117 THR C . 28052 1 1129 . 1 . 1 117 117 THR CA C 13 60.39551 0.4 . 1 . . . . . 117 THR CA . 28052 1 1130 . 1 . 1 117 117 THR CB C 13 70.99656 0.4 . 1 . . . . . 117 THR CB . 28052 1 1131 . 1 . 1 117 117 THR CG2 C 13 22.47307 0.4 . 1 . . . . . 117 THR CG2 . 28052 1 1132 . 1 . 1 117 117 THR N N 15 99.87075 0.2 . 1 . . . . . 117 THR N . 28052 1 1133 . 1 . 1 118 118 ASP H H 1 7.72223 0.04 . 1 . . . . . 118 ASP H . 28052 1 1134 . 1 . 1 118 118 ASP HA H 1 4.20723 0.04 . 1 . . . . . 118 ASP HA . 28052 1 1135 . 1 . 1 118 118 ASP HB2 H 1 2.41856 0.04 . 2 . . . . . 118 ASP HB2 . 28052 1 1136 . 1 . 1 118 118 ASP HB3 H 1 3.27269 0.04 . 2 . . . . . 118 ASP HB3 . 28052 1 1137 . 1 . 1 118 118 ASP C C 13 174.20854 0.4 . 1 . . . . . 118 ASP C . 28052 1 1138 . 1 . 1 118 118 ASP CA C 13 55.33277 0.4 . 1 . . . . . 118 ASP CA . 28052 1 1139 . 1 . 1 118 118 ASP CB C 13 41.05916 0.4 . 1 . . . . . 118 ASP CB . 28052 1 1140 . 1 . 1 118 118 ASP N N 15 120.18874 0.2 . 1 . . . . . 118 ASP N . 28052 1 1141 . 1 . 1 119 119 LEU H H 1 7.56489 0.04 . 1 . . . . . 119 LEU H . 28052 1 1142 . 1 . 1 119 119 LEU HA H 1 5.04573 0.04 . 1 . . . . . 119 LEU HA . 28052 1 1143 . 1 . 1 119 119 LEU HB2 H 1 0.94411 0.04 . 1 . . . . . 119 LEU HB2 . 28052 1 1144 . 1 . 1 119 119 LEU HB3 H 1 2.09957 0.04 . 1 . . . . . 119 LEU HB3 . 28052 1 1145 . 1 . 1 119 119 LEU HG H 1 1.66719 0.04 . 1 . . . . . 119 LEU HG . 28052 1 1146 . 1 . 1 119 119 LEU HD11 H 1 0.79991 0.04 . 2 . . . . . 119 LEU HD1* . 28052 1 1147 . 1 . 1 119 119 LEU HD12 H 1 0.79991 0.04 . 2 . . . . . 119 LEU HD1* . 28052 1 1148 . 1 . 1 119 119 LEU HD13 H 1 0.79991 0.04 . 2 . . . . . 119 LEU HD1* . 28052 1 1149 . 1 . 1 119 119 LEU HD21 H 1 1.07425 0.04 . 2 . . . . . 119 LEU HD2* . 28052 1 1150 . 1 . 1 119 119 LEU HD22 H 1 1.07425 0.04 . 2 . . . . . 119 LEU HD2* . 28052 1 1151 . 1 . 1 119 119 LEU HD23 H 1 1.07425 0.04 . 2 . . . . . 119 LEU HD2* . 28052 1 1152 . 1 . 1 119 119 LEU C C 13 176.73469 0.4 . 1 . . . . . 119 LEU C . 28052 1 1153 . 1 . 1 119 119 LEU CA C 13 53.73055 0.4 . 1 . . . . . 119 LEU CA . 28052 1 1154 . 1 . 1 119 119 LEU CB C 13 46.05955 0.4 . 1 . . . . . 119 LEU CB . 28052 1 1155 . 1 . 1 119 119 LEU CG C 13 25.68276 0.4 . 1 . . . . . 119 LEU CG . 28052 1 1156 . 1 . 1 119 119 LEU CD1 C 13 23.25156 0.4 . 2 . . . . . 119 LEU CD1 . 28052 1 1157 . 1 . 1 119 119 LEU CD2 C 13 26.30905 0.4 . 2 . . . . . 119 LEU CD2 . 28052 1 1158 . 1 . 1 119 119 LEU N N 15 114.78366 0.2 . 1 . . . . . 119 LEU N . 28052 1 1159 . 1 . 1 120 120 ARG H H 1 9.13421 0.04 . 1 . . . . . 120 ARG H . 28052 1 1160 . 1 . 1 120 120 ARG HA H 1 4.89495 0.04 . 1 . . . . . 120 ARG HA . 28052 1 1161 . 1 . 1 120 120 ARG HB2 H 1 1.52653 0.04 . 1 . . . . . 120 ARG HB2 . 28052 1 1162 . 1 . 1 120 120 ARG HB3 H 1 1.52653 0.04 . 1 . . . . . 120 ARG HB3 . 28052 1 1163 . 1 . 1 120 120 ARG C C 13 174.51976 0.4 . 1 . . . . . 120 ARG C . 28052 1 1164 . 1 . 1 120 120 ARG CA C 13 55.30109 0.4 . 1 . . . . . 120 ARG CA . 28052 1 1165 . 1 . 1 120 120 ARG CB C 13 34.46674 0.4 . 1 . . . . . 120 ARG CB . 28052 1 1166 . 1 . 1 120 120 ARG N N 15 122.79835 0.2 . 1 . . . . . 120 ARG N . 28052 1 1167 . 1 . 1 121 121 TYR H H 1 9.93309 0.04 . 1 . . . . . 121 TYR H . 28052 1 1168 . 1 . 1 121 121 TYR HA H 1 4.21434 0.04 . 1 . . . . . 121 TYR HA . 28052 1 1169 . 1 . 1 121 121 TYR HB2 H 1 2.27718 0.04 . 2 . . . . . 121 TYR HB2 . 28052 1 1170 . 1 . 1 121 121 TYR HB3 H 1 3.14327 0.04 . 2 . . . . . 121 TYR HB3 . 28052 1 1171 . 1 . 1 121 121 TYR HD1 H 1 6.93646 0.04 . 3 . . . . . 121 TYR HD* . 28052 1 1172 . 1 . 1 121 121 TYR HD2 H 1 6.93646 0.04 . 3 . . . . . 121 TYR HD* . 28052 1 1173 . 1 . 1 121 121 TYR HE1 H 1 6.76871 0.04 . 3 . . . . . 121 TYR HE* . 28052 1 1174 . 1 . 1 121 121 TYR HE2 H 1 6.76871 0.04 . 3 . . . . . 121 TYR HE* . 28052 1 1175 . 1 . 1 121 121 TYR C C 13 173.34681 0.4 . 1 . . . . . 121 TYR C . 28052 1 1176 . 1 . 1 121 121 TYR CA C 13 58.94694 0.4 . 1 . . . . . 121 TYR CA . 28052 1 1177 . 1 . 1 121 121 TYR CB C 13 37.12201 0.4 . 1 . . . . . 121 TYR CB . 28052 1 1178 . 1 . 1 121 121 TYR CD1 C 13 132.38426 0.4 . 3 . . . . . 121 TYR CD* . 28052 1 1179 . 1 . 1 121 121 TYR CD2 C 13 132.38426 0.4 . 3 . . . . . 121 TYR CD* . 28052 1 1180 . 1 . 1 121 121 TYR CE1 C 13 118.12677 0.4 . 3 . . . . . 121 TYR CE* . 28052 1 1181 . 1 . 1 121 121 TYR CE2 C 13 118.12677 0.4 . 3 . . . . . 121 TYR CE* . 28052 1 1182 . 1 . 1 121 121 TYR N N 15 128.21577 0.2 . 1 . . . . . 121 TYR N . 28052 1 1183 . 1 . 1 122 122 CYS H H 1 9.41794 0.04 . 1 . . . . . 122 CYS H . 28052 1 1184 . 1 . 1 122 122 CYS HA H 1 4.69001 0.04 . 1 . . . . . 122 CYS HA . 28052 1 1185 . 1 . 1 122 122 CYS HB2 H 1 2.40705 0.04 . 2 . . . . . 122 CYS HB2 . 28052 1 1186 . 1 . 1 122 122 CYS HB3 H 1 3.20421 0.04 . 2 . . . . . 122 CYS HB3 . 28052 1 1187 . 1 . 1 122 122 CYS C C 13 172.17472 0.4 . 1 . . . . . 122 CYS C . 28052 1 1188 . 1 . 1 122 122 CYS CA C 13 57.79831 0.4 . 1 . . . . . 122 CYS CA . 28052 1 1189 . 1 . 1 122 122 CYS CB C 13 27.09405 0.4 . 1 . . . . . 122 CYS CB . 28052 1 1190 . 1 . 1 122 122 CYS N N 15 129.80856 0.2 . 1 . . . . . 122 CYS N . 28052 1 1191 . 1 . 1 123 123 ILE H H 1 7.98069 0.04 . 1 . . . . . 123 ILE H . 28052 1 1192 . 1 . 1 123 123 ILE HA H 1 4.35803 0.04 . 1 . . . . . 123 ILE HA . 28052 1 1193 . 1 . 1 123 123 ILE HB H 1 1.50567 0.04 . 1 . . . . . 123 ILE HB . 28052 1 1194 . 1 . 1 123 123 ILE HG12 H 1 0.50222 0.04 . 2 . . . . . 123 ILE HG12 . 28052 1 1195 . 1 . 1 123 123 ILE HG13 H 1 1.24299 0.04 . 2 . . . . . 123 ILE HG13 . 28052 1 1196 . 1 . 1 123 123 ILE HG21 H 1 0.78649 0.04 . 1 . . . . . 123 ILE HG2* . 28052 1 1197 . 1 . 1 123 123 ILE HG22 H 1 0.78649 0.04 . 1 . . . . . 123 ILE HG2* . 28052 1 1198 . 1 . 1 123 123 ILE HG23 H 1 0.78649 0.04 . 1 . . . . . 123 ILE HG2* . 28052 1 1199 . 1 . 1 123 123 ILE HD11 H 1 0.34701 0.04 . 1 . . . . . 123 ILE HD1* . 28052 1 1200 . 1 . 1 123 123 ILE HD12 H 1 0.34701 0.04 . 1 . . . . . 123 ILE HD1* . 28052 1 1201 . 1 . 1 123 123 ILE HD13 H 1 0.34701 0.04 . 1 . . . . . 123 ILE HD1* . 28052 1 1202 . 1 . 1 123 123 ILE C C 13 174.39176 0.4 . 1 . . . . . 123 ILE C . 28052 1 1203 . 1 . 1 123 123 ILE CA C 13 56.10624 0.4 . 1 . . . . . 123 ILE CA . 28052 1 1204 . 1 . 1 123 123 ILE CB C 13 38.8175 0.4 . 1 . . . . . 123 ILE CB . 28052 1 1205 . 1 . 1 123 123 ILE CG1 C 13 25.74674 0.4 . 1 . . . . . 123 ILE CG1 . 28052 1 1206 . 1 . 1 123 123 ILE CG2 C 13 17.72776 0.4 . 1 . . . . . 123 ILE CG2 . 28052 1 1207 . 1 . 1 123 123 ILE CD1 C 13 8.91429 0.4 . 1 . . . . . 123 ILE CD1 . 28052 1 1208 . 1 . 1 123 123 ILE N N 15 128.35531 0.2 . 1 . . . . . 123 ILE N . 28052 1 1209 . 1 . 1 124 124 ASN H H 1 7.55315 0.04 . 1 . . . . . 124 ASN H . 28052 1 1210 . 1 . 1 124 124 ASN HA H 1 4.5484 0.04 . 1 . . . . . 124 ASN HA . 28052 1 1211 . 1 . 1 124 124 ASN HB2 H 1 2.59662 0.04 . 2 . . . . . 124 ASN HB2 . 28052 1 1212 . 1 . 1 124 124 ASN HB3 H 1 3.50526 0.04 . 2 . . . . . 124 ASN HB3 . 28052 1 1213 . 1 . 1 124 124 ASN C C 13 175.95635 0.4 . 1 . . . . . 124 ASN C . 28052 1 1214 . 1 . 1 124 124 ASN CA C 13 55.20662 0.4 . 1 . . . . . 124 ASN CA . 28052 1 1215 . 1 . 1 124 124 ASN CB C 13 41.23457 0.4 . 1 . . . . . 124 ASN CB . 28052 1 1216 . 1 . 1 124 124 ASN N N 15 119.80171 0.2 . 1 . . . . . 124 ASN N . 28052 1 1217 . 1 . 1 126 126 VAL H H 1 8.63992 0.04 . 1 . . . . . 126 VAL H . 28052 1 1218 . 1 . 1 126 126 VAL HA H 1 4.17234 0.04 . 1 . . . . . 126 VAL HA . 28052 1 1219 . 1 . 1 126 126 VAL HB H 1 2.25968 0.04 . 1 . . . . . 126 VAL HB . 28052 1 1220 . 1 . 1 126 126 VAL HG11 H 1 0.92813 0.04 . 2 . . . . . 126 VAL HG1* . 28052 1 1221 . 1 . 1 126 126 VAL HG12 H 1 0.92813 0.04 . 2 . . . . . 126 VAL HG1* . 28052 1 1222 . 1 . 1 126 126 VAL HG13 H 1 0.92813 0.04 . 2 . . . . . 126 VAL HG1* . 28052 1 1223 . 1 . 1 126 126 VAL HG21 H 1 1.06649 0.04 . 2 . . . . . 126 VAL HG2* . 28052 1 1224 . 1 . 1 126 126 VAL HG22 H 1 1.06649 0.04 . 2 . . . . . 126 VAL HG2* . 28052 1 1225 . 1 . 1 126 126 VAL HG23 H 1 1.06649 0.04 . 2 . . . . . 126 VAL HG2* . 28052 1 1226 . 1 . 1 126 126 VAL C C 13 173.19258 0.4 . 1 . . . . . 126 VAL C . 28052 1 1227 . 1 . 1 126 126 VAL CA C 13 62.89464 0.4 . 1 . . . . . 126 VAL CA . 28052 1 1228 . 1 . 1 126 126 VAL CB C 13 31.75987 0.4 . 1 . . . . . 126 VAL CB . 28052 1 1229 . 1 . 1 126 126 VAL CG1 C 13 20.81871 0.4 . 2 . . . . . 126 VAL CG1 . 28052 1 1230 . 1 . 1 126 126 VAL CG2 C 13 22.68302 0.4 . 2 . . . . . 126 VAL CG2 . 28052 1 1231 . 1 . 1 126 126 VAL N N 15 115.76068 0.2 . 1 . . . . . 126 VAL N . 28052 1 1232 . 1 . 1 127 127 CYS H H 1 7.16369 0.04 . 1 . . . . . 127 CYS H . 28052 1 1233 . 1 . 1 127 127 CYS HA H 1 4.23381 0.04 . 1 . . . . . 127 CYS HA . 28052 1 1234 . 1 . 1 127 127 CYS HB2 H 1 2.98745 0.04 . 2 . . . . . 127 CYS HB2 . 28052 1 1235 . 1 . 1 127 127 CYS HB3 H 1 3.35053 0.04 . 2 . . . . . 127 CYS HB3 . 28052 1 1236 . 1 . 1 127 127 CYS C C 13 174.23734 0.4 . 1 . . . . . 127 CYS C . 28052 1 1237 . 1 . 1 127 127 CYS CA C 13 59.50662 0.4 . 1 . . . . . 127 CYS CA . 28052 1 1238 . 1 . 1 127 127 CYS CB C 13 26.83848 0.4 . 1 . . . . . 127 CYS CB . 28052 1 1239 . 1 . 1 127 127 CYS N N 15 112.17153 0.2 . 1 . . . . . 127 CYS N . 28052 1 1240 . 1 . 1 128 128 LEU H H 1 8.25337 0.04 . 1 . . . . . 128 LEU H . 28052 1 1241 . 1 . 1 128 128 LEU HA H 1 5.71191 0.04 . 1 . . . . . 128 LEU HA . 28052 1 1242 . 1 . 1 128 128 LEU HB2 H 1 1.44232 0.04 . 2 . . . . . 128 LEU HB2 . 28052 1 1243 . 1 . 1 128 128 LEU HB3 H 1 2.19395 0.04 . 2 . . . . . 128 LEU HB3 . 28052 1 1244 . 1 . 1 128 128 LEU HG H 1 1.69485 0.04 . 1 . . . . . 128 LEU HG . 28052 1 1245 . 1 . 1 128 128 LEU HD11 H 1 0.49692 0.04 . 2 . . . . . 128 LEU HD1* . 28052 1 1246 . 1 . 1 128 128 LEU HD12 H 1 0.49692 0.04 . 2 . . . . . 128 LEU HD1* . 28052 1 1247 . 1 . 1 128 128 LEU HD13 H 1 0.49692 0.04 . 2 . . . . . 128 LEU HD1* . 28052 1 1248 . 1 . 1 128 128 LEU HD21 H 1 0.70973 0.04 . 2 . . . . . 128 LEU HD2* . 28052 1 1249 . 1 . 1 128 128 LEU HD22 H 1 0.70973 0.04 . 2 . . . . . 128 LEU HD2* . 28052 1 1250 . 1 . 1 128 128 LEU HD23 H 1 0.70973 0.04 . 2 . . . . . 128 LEU HD2* . 28052 1 1251 . 1 . 1 128 128 LEU C C 13 176.77289 0.4 . 1 . . . . . 128 LEU C . 28052 1 1252 . 1 . 1 128 128 LEU CA C 13 52.67445 0.4 . 1 . . . . . 128 LEU CA . 28052 1 1253 . 1 . 1 128 128 LEU CB C 13 47.76183 0.4 . 1 . . . . . 128 LEU CB . 28052 1 1254 . 1 . 1 128 128 LEU CG C 13 26.17804 0.4 . 1 . . . . . 128 LEU CG . 28052 1 1255 . 1 . 1 128 128 LEU CD1 C 13 24.79842 0.4 . 2 . . . . . 128 LEU CD1 . 28052 1 1256 . 1 . 1 128 128 LEU CD2 C 13 22.64777 0.4 . 2 . . . . . 128 LEU CD2 . 28052 1 1257 . 1 . 1 128 128 LEU N N 15 118.69319 0.2 . 1 . . . . . 128 LEU N . 28052 1 1258 . 1 . 1 129 129 THR H H 1 9.13344 0.04 . 1 . . . . . 129 THR H . 28052 1 1259 . 1 . 1 129 129 THR HA H 1 4.58987 0.04 . 1 . . . . . 129 THR HA . 28052 1 1260 . 1 . 1 129 129 THR HB H 1 3.72031 0.04 . 1 . . . . . 129 THR HB . 28052 1 1261 . 1 . 1 129 129 THR HG21 H 1 1.04817 0.04 . 1 . . . . . 129 THR HG2* . 28052 1 1262 . 1 . 1 129 129 THR HG22 H 1 1.04817 0.04 . 1 . . . . . 129 THR HG2* . 28052 1 1263 . 1 . 1 129 129 THR HG23 H 1 1.04817 0.04 . 1 . . . . . 129 THR HG2* . 28052 1 1264 . 1 . 1 129 129 THR C C 13 173.57555 0.4 . 1 . . . . . 129 THR C . 28052 1 1265 . 1 . 1 129 129 THR CA C 13 61.99497 0.4 . 1 . . . . . 129 THR CA . 28052 1 1266 . 1 . 1 129 129 THR CB C 13 71.7517 0.4 . 1 . . . . . 129 THR CB . 28052 1 1267 . 1 . 1 129 129 THR CG2 C 13 22.21219 0.4 . 1 . . . . . 129 THR CG2 . 28052 1 1268 . 1 . 1 129 129 THR N N 15 117.43245 0.2 . 1 . . . . . 129 THR N . 28052 1 1269 . 1 . 1 130 130 LEU H H 1 7.77671 0.04 . 1 . . . . . 130 LEU H . 28052 1 1270 . 1 . 1 130 130 LEU HA H 1 3.92997 0.04 . 1 . . . . . 130 LEU HA . 28052 1 1271 . 1 . 1 130 130 LEU HB2 H 1 0.43217 0.04 . 2 . . . . . 130 LEU HB2 . 28052 1 1272 . 1 . 1 130 130 LEU HB3 H 1 1.47766 0.04 . 2 . . . . . 130 LEU HB3 . 28052 1 1273 . 1 . 1 130 130 LEU HG H 1 0.67245 0.04 . 1 . . . . . 130 LEU HG . 28052 1 1274 . 1 . 1 130 130 LEU HD11 H 1 -0.4329 0.04 . 2 . . . . . 130 LEU HD1* . 28052 1 1275 . 1 . 1 130 130 LEU HD12 H 1 -0.4329 0.04 . 2 . . . . . 130 LEU HD1* . 28052 1 1276 . 1 . 1 130 130 LEU HD13 H 1 -0.4329 0.04 . 2 . . . . . 130 LEU HD1* . 28052 1 1277 . 1 . 1 130 130 LEU HD21 H 1 0.56935 0.04 . 2 . . . . . 130 LEU HD2* . 28052 1 1278 . 1 . 1 130 130 LEU HD22 H 1 0.56935 0.04 . 2 . . . . . 130 LEU HD2* . 28052 1 1279 . 1 . 1 130 130 LEU HD23 H 1 0.56935 0.04 . 2 . . . . . 130 LEU HD2* . 28052 1 1280 . 1 . 1 130 130 LEU C C 13 175.11983 0.4 . 1 . . . . . 130 LEU C . 28052 1 1281 . 1 . 1 130 130 LEU CA C 13 54.33387 0.4 . 1 . . . . . 130 LEU CA . 28052 1 1282 . 1 . 1 130 130 LEU CB C 13 41.82844 0.4 . 1 . . . . . 130 LEU CB . 28052 1 1283 . 1 . 1 130 130 LEU CG C 13 27.10726 0.4 . 1 . . . . . 130 LEU CG . 28052 1 1284 . 1 . 1 130 130 LEU CD1 C 13 19.81109 0.4 . 2 . . . . . 130 LEU CD1 . 28052 1 1285 . 1 . 1 130 130 LEU CD2 C 13 26.07571 0.4 . 2 . . . . . 130 LEU CD2 . 28052 1 1286 . 1 . 1 130 130 LEU N N 15 127.06136 0.2 . 1 . . . . . 130 LEU N . 28052 1 1287 . 1 . 1 131 131 ILE H H 1 9.2214 0.04 . 1 . . . . . 131 ILE H . 28052 1 1288 . 1 . 1 131 131 ILE HA H 1 4.44778 0.04 . 1 . . . . . 131 ILE HA . 28052 1 1289 . 1 . 1 131 131 ILE HB H 1 1.85825 0.04 . 1 . . . . . 131 ILE HB . 28052 1 1290 . 1 . 1 131 131 ILE HG12 H 1 1.06262 0.04 . 2 . . . . . 131 ILE HG12 . 28052 1 1291 . 1 . 1 131 131 ILE HG13 H 1 1.34001 0.04 . 2 . . . . . 131 ILE HG13 . 28052 1 1292 . 1 . 1 131 131 ILE HG21 H 1 0.76095 0.04 . 1 . . . . . 131 ILE HG2* . 28052 1 1293 . 1 . 1 131 131 ILE HG22 H 1 0.76095 0.04 . 1 . . . . . 131 ILE HG2* . 28052 1 1294 . 1 . 1 131 131 ILE HG23 H 1 0.76095 0.04 . 1 . . . . . 131 ILE HG2* . 28052 1 1295 . 1 . 1 131 131 ILE HD11 H 1 0.70172 0.04 . 1 . . . . . 131 ILE HD1* . 28052 1 1296 . 1 . 1 131 131 ILE HD12 H 1 0.70172 0.04 . 1 . . . . . 131 ILE HD1* . 28052 1 1297 . 1 . 1 131 131 ILE HD13 H 1 0.70172 0.04 . 1 . . . . . 131 ILE HD1* . 28052 1 1298 . 1 . 1 131 131 ILE C C 13 174.35608 0.4 . 1 . . . . . 131 ILE C . 28052 1 1299 . 1 . 1 131 131 ILE CA C 13 57.8758 0.4 . 1 . . . . . 131 ILE CA . 28052 1 1300 . 1 . 1 131 131 ILE CB C 13 37.3603 0.4 . 1 . . . . . 131 ILE CB . 28052 1 1301 . 1 . 1 131 131 ILE CG1 C 13 26.65747 0.4 . 1 . . . . . 131 ILE CG1 . 28052 1 1302 . 1 . 1 131 131 ILE CG2 C 13 17.35815 0.4 . 1 . . . . . 131 ILE CG2 . 28052 1 1303 . 1 . 1 131 131 ILE CD1 C 13 12.48516 0.4 . 1 . . . . . 131 ILE CD1 . 28052 1 1304 . 1 . 1 131 131 ILE N N 15 130.78887 0.2 . 1 . . . . . 131 ILE N . 28052 1 1305 . 1 . 1 132 132 PRO HA H 1 4.3916 0.04 . 1 . . . . . 132 PRO HA . 28052 1 1306 . 1 . 1 132 132 PRO HB2 H 1 1.88451 0.04 . 2 . . . . . 132 PRO HB2 . 28052 1 1307 . 1 . 1 132 132 PRO HB3 H 1 2.12903 0.04 . 2 . . . . . 132 PRO HB3 . 28052 1 1308 . 1 . 1 132 132 PRO HG2 H 1 1.72148 0.04 . 2 . . . . . 132 PRO HG2 . 28052 1 1309 . 1 . 1 132 132 PRO HG3 H 1 2.01755 0.04 . 2 . . . . . 132 PRO HG3 . 28052 1 1310 . 1 . 1 132 132 PRO HD2 H 1 3.66343 0.04 . 2 . . . . . 132 PRO HD2 . 28052 1 1311 . 1 . 1 132 132 PRO HD3 H 1 3.80028 0.04 . 2 . . . . . 132 PRO HD3 . 28052 1 1312 . 1 . 1 132 132 PRO C C 13 176.12271 0.4 . 1 . . . . . 132 PRO C . 28052 1 1313 . 1 . 1 132 132 PRO CA C 13 62.6762 0.4 . 1 . . . . . 132 PRO CA . 28052 1 1314 . 1 . 1 132 132 PRO CB C 13 32.40512 0.4 . 1 . . . . . 132 PRO CB . 28052 1 1315 . 1 . 1 132 132 PRO CG C 13 27.31669 0.4 . 1 . . . . . 132 PRO CG . 28052 1 1316 . 1 . 1 132 132 PRO CD C 13 51.46243 0.4 . 1 . . . . . 132 PRO CD . 28052 1 1317 . 1 . 1 133 133 ALA H H 1 8.32506 0.04 . 1 . . . . . 133 ALA H . 28052 1 1318 . 1 . 1 133 133 ALA HA H 1 4.17346 0.04 . 1 . . . . . 133 ALA HA . 28052 1 1319 . 1 . 1 133 133 ALA HB1 H 1 1.20465 0.04 . 1 . . . . . 133 ALA HB* . 28052 1 1320 . 1 . 1 133 133 ALA HB2 H 1 1.20465 0.04 . 1 . . . . . 133 ALA HB* . 28052 1 1321 . 1 . 1 133 133 ALA HB3 H 1 1.20465 0.04 . 1 . . . . . 133 ALA HB* . 28052 1 1322 . 1 . 1 133 133 ALA C C 13 177.7718 0.4 . 1 . . . . . 133 ALA C . 28052 1 1323 . 1 . 1 133 133 ALA CA C 13 52.53527 0.4 . 1 . . . . . 133 ALA CA . 28052 1 1324 . 1 . 1 133 133 ALA CB C 13 19.2352 0.4 . 1 . . . . . 133 ALA CB . 28052 1 1325 . 1 . 1 133 133 ALA N N 15 125.235 0.2 . 1 . . . . . 133 ALA N . 28052 1 1326 . 1 . 1 134 134 GLU H H 1 8.30995 0.04 . 1 . . . . . 134 GLU H . 28052 1 1327 . 1 . 1 134 134 GLU HA H 1 4.24307 0.04 . 1 . . . . . 134 GLU HA . 28052 1 1328 . 1 . 1 134 134 GLU HB2 H 1 1.82627 0.04 . 2 . . . . . 134 GLU HB2 . 28052 1 1329 . 1 . 1 134 134 GLU HB3 H 1 1.96332 0.04 . 2 . . . . . 134 GLU HB3 . 28052 1 1330 . 1 . 1 134 134 GLU HG2 H 1 2.16155 0.04 . 2 . . . . . 134 GLU HG2 . 28052 1 1331 . 1 . 1 134 134 GLU HG3 H 1 2.20875 0.04 . 2 . . . . . 134 GLU HG3 . 28052 1 1332 . 1 . 1 134 134 GLU C C 13 176.0961 0.4 . 1 . . . . . 134 GLU C . 28052 1 1333 . 1 . 1 134 134 GLU CA C 13 56.1054 0.4 . 1 . . . . . 134 GLU CA . 28052 1 1334 . 1 . 1 134 134 GLU CB C 13 30.85777 0.4 . 1 . . . . . 134 GLU CB . 28052 1 1335 . 1 . 1 134 134 GLU CG C 13 36.06992 0.4 . 1 . . . . . 134 GLU CG . 28052 1 1336 . 1 . 1 134 134 GLU N N 15 119.87694 0.2 . 1 . . . . . 134 GLU N . 28052 1 1337 . 1 . 1 135 135 GLU H H 1 8.40831 0.04 . 1 . . . . . 135 GLU H . 28052 1 1338 . 1 . 1 135 135 GLU HA H 1 4.25534 0.04 . 1 . . . . . 135 GLU HA . 28052 1 1339 . 1 . 1 135 135 GLU HB2 H 1 1.85311 0.04 . 2 . . . . . 135 GLU HB2 . 28052 1 1340 . 1 . 1 135 135 GLU HB3 H 1 2.02531 0.04 . 2 . . . . . 135 GLU HB3 . 28052 1 1341 . 1 . 1 135 135 GLU HG2 H 1 2.17519 0.04 . 2 . . . . . 135 GLU HG2 . 28052 1 1342 . 1 . 1 135 135 GLU HG3 H 1 2.22031 0.04 . 2 . . . . . 135 GLU HG3 . 28052 1 1343 . 1 . 1 135 135 GLU C C 13 175.64399 0.4 . 1 . . . . . 135 GLU C . 28052 1 1344 . 1 . 1 135 135 GLU CA C 13 56.53705 0.4 . 1 . . . . . 135 GLU CA . 28052 1 1345 . 1 . 1 135 135 GLU CB C 13 30.47611 0.4 . 1 . . . . . 135 GLU CB . 28052 1 1346 . 1 . 1 135 135 GLU CG C 13 36.2206 0.4 . 1 . . . . . 135 GLU CG . 28052 1 1347 . 1 . 1 135 135 GLU N N 15 122.8467 0.2 . 1 . . . . . 135 GLU N . 28052 1 1348 . 1 . 1 136 136 SER H H 1 7.95771 0.04 . 1 . . . . . 136 SER H . 28052 1 1349 . 1 . 1 136 136 SER HA H 1 4.18966 0.04 . 1 . . . . . 136 SER HA . 28052 1 1350 . 1 . 1 136 136 SER HB2 H 1 3.76829 0.04 . 1 . . . . . 136 SER HB2 . 28052 1 1351 . 1 . 1 136 136 SER HB3 H 1 3.76829 0.04 . 1 . . . . . 136 SER HB3 . 28052 1 1352 . 1 . 1 136 136 SER C C 13 178.68202 0.4 . 1 . . . . . 136 SER C . 28052 1 1353 . 1 . 1 136 136 SER CA C 13 59.94808 0.4 . 1 . . . . . 136 SER CA . 28052 1 1354 . 1 . 1 136 136 SER CB C 13 64.91073 0.4 . 1 . . . . . 136 SER CB . 28052 1 1355 . 1 . 1 136 136 SER N N 15 122.85604 0.2 . 1 . . . . . 136 SER N . 28052 1 stop_ save_