data_34379 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34379 _Entry.Title ; Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-15 _Entry.Accession_date 2019-03-15 _Entry.Last_release_date 2019-10-22 _Entry.Original_release_date 2019-10-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34379 stop_ 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 K. Jaudzems K. . . . 34379 2 A. Leonchiks A. . . . 34379 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Covalent complex' . 34379 HYDROLASE . 34379 Inhibitor . 34379 Prodrug . 34379 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34379 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 663 34379 '15N chemical shifts' 149 34379 '1H chemical shifts' 1055 34379 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-01-17 . original BMRB . 34379 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6R1V . 34379 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34379 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Jaudzems K. . . . 34379 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34379 _Assembly.ID 1 _Assembly.Name 'Sortase A (E.C.3.4.22.70)' _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 entity_1 1 $entity_1 A A yes . . . . . . 34379 1 2 entity_2 2 $entity_JPT B A no . . . . . . 34379 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34379 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQAKPQIPKDKSKVAGYIEI PDADIKEPVYPGPATPEQLN RGVSFAEENESLDDQNISIA GHTFIDRPNYQFTNLKAAKK GSMVYFKVGNETRKYKMTSI RDVKPTDVEVLDEQKGKDKQ LTLITCDDYNEKTGVWEKRK IFVATEVK ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.4.22.70 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16825.062 _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 'Surface protein sorting A' na 34379 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34379 1 2 . GLN . 34379 1 3 . ALA . 34379 1 4 . LYS . 34379 1 5 . PRO . 34379 1 6 . GLN . 34379 1 7 . ILE . 34379 1 8 . PRO . 34379 1 9 . LYS . 34379 1 10 . ASP . 34379 1 11 . LYS . 34379 1 12 . SER . 34379 1 13 . LYS . 34379 1 14 . VAL . 34379 1 15 . ALA . 34379 1 16 . GLY . 34379 1 17 . TYR . 34379 1 18 . ILE . 34379 1 19 . GLU . 34379 1 20 . ILE . 34379 1 21 . PRO . 34379 1 22 . ASP . 34379 1 23 . ALA . 34379 1 24 . ASP . 34379 1 25 . ILE . 34379 1 26 . LYS . 34379 1 27 . GLU . 34379 1 28 . PRO . 34379 1 29 . VAL . 34379 1 30 . TYR . 34379 1 31 . PRO . 34379 1 32 . GLY . 34379 1 33 . PRO . 34379 1 34 . ALA . 34379 1 35 . THR . 34379 1 36 . PRO . 34379 1 37 . GLU . 34379 1 38 . GLN . 34379 1 39 . LEU . 34379 1 40 . ASN . 34379 1 41 . ARG . 34379 1 42 . GLY . 34379 1 43 . VAL . 34379 1 44 . SER . 34379 1 45 . PHE . 34379 1 46 . ALA . 34379 1 47 . GLU . 34379 1 48 . GLU . 34379 1 49 . ASN . 34379 1 50 . GLU . 34379 1 51 . SER . 34379 1 52 . LEU . 34379 1 53 . ASP . 34379 1 54 . ASP . 34379 1 55 . GLN . 34379 1 56 . ASN . 34379 1 57 . ILE . 34379 1 58 . SER . 34379 1 59 . ILE . 34379 1 60 . ALA . 34379 1 61 . GLY . 34379 1 62 . HIS . 34379 1 63 . THR . 34379 1 64 . PHE . 34379 1 65 . ILE . 34379 1 66 . ASP . 34379 1 67 . ARG . 34379 1 68 . PRO . 34379 1 69 . ASN . 34379 1 70 . TYR . 34379 1 71 . GLN . 34379 1 72 . PHE . 34379 1 73 . THR . 34379 1 74 . ASN . 34379 1 75 . LEU . 34379 1 76 . LYS . 34379 1 77 . ALA . 34379 1 78 . ALA . 34379 1 79 . LYS . 34379 1 80 . LYS . 34379 1 81 . GLY . 34379 1 82 . SER . 34379 1 83 . MET . 34379 1 84 . VAL . 34379 1 85 . TYR . 34379 1 86 . PHE . 34379 1 87 . LYS . 34379 1 88 . VAL . 34379 1 89 . GLY . 34379 1 90 . ASN . 34379 1 91 . GLU . 34379 1 92 . THR . 34379 1 93 . ARG . 34379 1 94 . LYS . 34379 1 95 . TYR . 34379 1 96 . LYS . 34379 1 97 . MET . 34379 1 98 . THR . 34379 1 99 . SER . 34379 1 100 . ILE . 34379 1 101 . ARG . 34379 1 102 . ASP . 34379 1 103 . VAL . 34379 1 104 . LYS . 34379 1 105 . PRO . 34379 1 106 . THR . 34379 1 107 . ASP . 34379 1 108 . VAL . 34379 1 109 . GLU . 34379 1 110 . VAL . 34379 1 111 . LEU . 34379 1 112 . ASP . 34379 1 113 . GLU . 34379 1 114 . GLN . 34379 1 115 . LYS . 34379 1 116 . GLY . 34379 1 117 . LYS . 34379 1 118 . ASP . 34379 1 119 . LYS . 34379 1 120 . GLN . 34379 1 121 . LEU . 34379 1 122 . THR . 34379 1 123 . LEU . 34379 1 124 . ILE . 34379 1 125 . THR . 34379 1 126 . CYS . 34379 1 127 . ASP . 34379 1 128 . ASP . 34379 1 129 . TYR . 34379 1 130 . ASN . 34379 1 131 . GLU . 34379 1 132 . LYS . 34379 1 133 . THR . 34379 1 134 . GLY . 34379 1 135 . VAL . 34379 1 136 . TRP . 34379 1 137 . GLU . 34379 1 138 . LYS . 34379 1 139 . ARG . 34379 1 140 . LYS . 34379 1 141 . ILE . 34379 1 142 . PHE . 34379 1 143 . VAL . 34379 1 144 . ALA . 34379 1 145 . THR . 34379 1 146 . GLU . 34379 1 147 . VAL . 34379 1 148 . LYS . 34379 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 34379 1 . GLN 2 2 34379 1 . ALA 3 3 34379 1 . LYS 4 4 34379 1 . PRO 5 5 34379 1 . GLN 6 6 34379 1 . ILE 7 7 34379 1 . PRO 8 8 34379 1 . LYS 9 9 34379 1 . ASP 10 10 34379 1 . LYS 11 11 34379 1 . SER 12 12 34379 1 . LYS 13 13 34379 1 . VAL 14 14 34379 1 . ALA 15 15 34379 1 . GLY 16 16 34379 1 . TYR 17 17 34379 1 . ILE 18 18 34379 1 . GLU 19 19 34379 1 . ILE 20 20 34379 1 . PRO 21 21 34379 1 . ASP 22 22 34379 1 . ALA 23 23 34379 1 . ASP 24 24 34379 1 . ILE 25 25 34379 1 . LYS 26 26 34379 1 . GLU 27 27 34379 1 . PRO 28 28 34379 1 . VAL 29 29 34379 1 . TYR 30 30 34379 1 . PRO 31 31 34379 1 . GLY 32 32 34379 1 . PRO 33 33 34379 1 . ALA 34 34 34379 1 . THR 35 35 34379 1 . PRO 36 36 34379 1 . GLU 37 37 34379 1 . GLN 38 38 34379 1 . LEU 39 39 34379 1 . ASN 40 40 34379 1 . ARG 41 41 34379 1 . GLY 42 42 34379 1 . VAL 43 43 34379 1 . SER 44 44 34379 1 . PHE 45 45 34379 1 . ALA 46 46 34379 1 . GLU 47 47 34379 1 . GLU 48 48 34379 1 . ASN 49 49 34379 1 . GLU 50 50 34379 1 . SER 51 51 34379 1 . LEU 52 52 34379 1 . ASP 53 53 34379 1 . ASP 54 54 34379 1 . GLN 55 55 34379 1 . ASN 56 56 34379 1 . ILE 57 57 34379 1 . SER 58 58 34379 1 . ILE 59 59 34379 1 . ALA 60 60 34379 1 . GLY 61 61 34379 1 . HIS 62 62 34379 1 . THR 63 63 34379 1 . PHE 64 64 34379 1 . ILE 65 65 34379 1 . ASP 66 66 34379 1 . ARG 67 67 34379 1 . PRO 68 68 34379 1 . ASN 69 69 34379 1 . TYR 70 70 34379 1 . GLN 71 71 34379 1 . PHE 72 72 34379 1 . THR 73 73 34379 1 . ASN 74 74 34379 1 . LEU 75 75 34379 1 . LYS 76 76 34379 1 . ALA 77 77 34379 1 . ALA 78 78 34379 1 . LYS 79 79 34379 1 . LYS 80 80 34379 1 . GLY 81 81 34379 1 . SER 82 82 34379 1 . MET 83 83 34379 1 . VAL 84 84 34379 1 . TYR 85 85 34379 1 . PHE 86 86 34379 1 . LYS 87 87 34379 1 . VAL 88 88 34379 1 . GLY 89 89 34379 1 . ASN 90 90 34379 1 . GLU 91 91 34379 1 . THR 92 92 34379 1 . ARG 93 93 34379 1 . LYS 94 94 34379 1 . TYR 95 95 34379 1 . LYS 96 96 34379 1 . MET 97 97 34379 1 . THR 98 98 34379 1 . SER 99 99 34379 1 . ILE 100 100 34379 1 . ARG 101 101 34379 1 . ASP 102 102 34379 1 . VAL 103 103 34379 1 . LYS 104 104 34379 1 . PRO 105 105 34379 1 . THR 106 106 34379 1 . ASP 107 107 34379 1 . VAL 108 108 34379 1 . GLU 109 109 34379 1 . VAL 110 110 34379 1 . LEU 111 111 34379 1 . ASP 112 112 34379 1 . GLU 113 113 34379 1 . GLN 114 114 34379 1 . LYS 115 115 34379 1 . GLY 116 116 34379 1 . LYS 117 117 34379 1 . ASP 118 118 34379 1 . LYS 119 119 34379 1 . GLN 120 120 34379 1 . LEU 121 121 34379 1 . THR 122 122 34379 1 . LEU 123 123 34379 1 . ILE 124 124 34379 1 . THR 125 125 34379 1 . CYS 126 126 34379 1 . ASP 127 127 34379 1 . ASP 128 128 34379 1 . TYR 129 129 34379 1 . ASN 130 130 34379 1 . GLU 131 131 34379 1 . LYS 132 132 34379 1 . THR 133 133 34379 1 . GLY 134 134 34379 1 . VAL 135 135 34379 1 . TRP 136 136 34379 1 . GLU 137 137 34379 1 . LYS 138 138 34379 1 . ARG 139 139 34379 1 . LYS 140 140 34379 1 . ILE 141 141 34379 1 . PHE 142 142 34379 1 . VAL 143 143 34379 1 . ALA 144 144 34379 1 . THR 145 145 34379 1 . GLU 146 146 34379 1 . VAL 147 147 34379 1 . LYS 148 148 34379 1 stop_ save_ save_entity_JPT _Entity.Sf_category entity _Entity.Sf_framecode entity_JPT _Entity.Entry_ID 34379 _Entity.ID 2 _Entity.BMRB_code JPT _Entity.Name entity_JPT _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 JPT _Entity.Nonpolymer_comp_label $chem_comp_JPT _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 240.276 _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 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)-2,3-dihydropyran-4-one BMRB 34379 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)-2,3-dihydropyran-4-one BMRB 34379 2 JPT 'Three letter code' 34379 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 JPT $chem_comp_JPT 34379 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 34379 _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 $entity_1 . 93061 organism . 'Staphylococcus aureus subsp. aureus NCTC 8325' 'Staphylococcus aureus subsp. aureus NCTC 8325' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . 'srtA, SAOUHSC_02834' . 34379 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 34379 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34379 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_JPT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_JPT _Chem_comp.Entry_ID 34379 _Chem_comp.ID JPT _Chem_comp.Provenance PDB _Chem_comp.Name 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code JPT _Chem_comp.PDB_code JPT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2019-03-23 _Chem_comp.Modified_date 2019-03-23 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code JPT _Chem_comp.Number_atoms_all 26 _Chem_comp.Number_atoms_nh 16 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C11H10O4S/c12-5-8-4-9(13)11(14)10(15-8)3-7-1-2-16-6-7/h1-2,4,6,12,14H,3,5H2 _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C11 H10 O4 S' _Chem_comp.Formula_weight 238.260 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 6R1V _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/C11H10O4S/c12-5-8-4-9(13)11(14)10(15-8)3-7-1-2-16-6-7/h1-2,4,6,12,14H,3,5H2 InChI InChI 1.03 34379 JPT OCC1=CC(=O)C(=C(Cc2cscc2)O1)O SMILES CACTVS 3.385 34379 JPT OCC1=CC(=O)C(=C(Cc2cscc2)O1)O SMILES_CANONICAL CACTVS 3.385 34379 JPT ULVBQNJLQXBOPK-UHFFFAOYSA-N InChIKey InChI 1.03 34379 JPT c1cscc1CC2=C(C(=O)C=C(O2)CO)O SMILES 'OpenEye OEToolkits' 2.0.7 34379 JPT c1cscc1CC2=C(C(=O)C=C(O2)CO)O SMILES_CANONICAL 'OpenEye OEToolkits' 2.0.7 34379 JPT 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 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 2.0.7 34379 JPT 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 C7 C7 C7 C1 . C . . N 0 . . . 1 no no . . . . -2.722 . 8.070 . 26.540 . -0.770 -0.239 -1.559 1 . 34379 JPT C8 C8 C8 C2 . C . . N 0 . . . 1 yes no . . . . -2.021 . 6.715 . 26.398 . -1.960 0.005 -0.667 2 . 34379 JPT C11 C11 C11 C3 . C . . N 0 . . . 1 yes no . . . . -2.178 . 5.738 . 27.313 . -2.397 1.231 -0.374 3 . 34379 JPT S2 S2 S2 S1 . S . . N 0 . . . 1 yes no . . . . -1.266 . 4.457 . 26.779 . -3.795 1.121 0.687 4 . 34379 JPT C12 C12 C12 C4 . C . . N 0 . . . 1 yes no . . . . -0.675 . 5.156 . 25.387 . -3.705 -0.635 0.672 5 . 34379 JPT C13 C13 C13 C5 . C . . N 0 . . . 1 yes no . . . . -1.190 . 6.414 . 25.320 . -2.686 -1.025 -0.095 6 . 34379 JPT C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -5.421 . 7.332 . 22.749 . 2.888 2.185 0.649 7 . 34379 JPT O3 O3 O3 O1 . O . . N 0 . . . 1 no no . . . . -5.116 . 8.415 . 21.867 . 3.365 2.784 -0.557 8 . 34379 JPT C5 C5 C5 C7 . C . . N 0 . . . 1 no no . . . . -5.144 . 8.263 . 26.696 . 0.958 -1.480 -0.301 9 . 34379 JPT C4 C4 C4 C8 . C . . N 0 . . . 1 no no . . . . -3.988 . 8.001 . 25.972 . 0.483 -0.287 -0.723 10 . 34379 JPT O4 O4 O4 O2 . O . . N 0 . . . 1 no no . . . . -5.072 . 8.329 . 28.053 . 0.314 -2.634 -0.625 11 . 34379 JPT C1 C1 C1 C9 . C . . N 0 . . . 1 no no . . . . -6.344 . 8.502 . 26.090 . 2.145 -1.509 0.482 12 . 34379 JPT O2 O2 O2 O3 . O . . N 0 . . . 1 no no . . . . -7.315 . 8.929 . 26.718 . 2.610 -2.566 0.878 13 . 34379 JPT C2 C2 C2 C10 . C . . N 0 . . . 1 no no . . . . -6.429 . 8.261 . 24.742 . 2.774 -0.276 0.788 14 . 34379 JPT C3 C3 C3 C11 . C . . N 0 . . . 1 no no . . . . -5.319 . 7.757 . 24.069 . 2.228 0.869 0.330 15 . 34379 JPT O1 O1 O1 O4 . O . . N 0 . . . 1 no no . . . . -4.065 . 7.623 . 24.643 . 1.112 0.853 -0.409 16 . 34379 JPT H7 H7 H7 H1 . H . . N 0 . . . 1 no no . . . . -2.132 . 8.843 . 26.026 . -0.896 -1.188 -2.080 17 . 34379 JPT H1 H1 H1 H2 . H . . N 0 . . . 1 no no . . . . -2.812 . 8.326 . 27.606 . -0.690 0.567 -2.288 18 . 34379 JPT H11 H11 H11 H3 . H . . N 0 . . . 1 no no . . . . -2.776 . 5.780 . 28.211 . -1.958 2.151 -0.733 19 . 34379 JPT H12 H12 H12 H4 . H . . N 0 . . . 1 no no . . . . -0.008 . 4.697 . 24.672 . -4.376 -1.298 1.199 20 . 34379 JPT H13 H13 H13 H5 . H . . N 0 . . . 1 no no . . . . -0.978 . 7.105 . 24.518 . -2.440 -2.065 -0.250 21 . 34379 JPT H62 H62 H62 H6 . H . . N 0 . . . 1 no no . . . . -6.446 . 6.981 . 22.556 . 3.724 2.017 1.327 22 . 34379 JPT H61 H61 H61 H7 . H . . N 0 . . . 1 no no . . . . -4.713 . 6.508 . 22.575 . 2.164 2.849 1.123 23 . 34379 JPT H3 H3 H3 H8 . H . . N 0 . . . 1 no no . . . . -5.187 . 8.120 . 20.967 . 3.802 3.636 -0.427 24 . 34379 JPT H4 H4 H4 H11 . H . . N 0 . . . 1 no no . . . . -5.910 . 8.608 . 28.402 . 0.735 -3.431 -0.274 25 . 34379 JPT H2 H2 H2 H12 . H . . N 0 . . . 1 no no . . . . -7.347 . 8.460 . 24.209 . 3.677 -0.254 1.380 26 . 34379 JPT stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O3 C6 no N 1 . 34379 JPT 2 . SING C6 C3 no N 2 . 34379 JPT 3 . SING C3 O1 no N 3 . 34379 JPT 4 . DOUB C3 C2 no N 4 . 34379 JPT 5 . SING O1 C4 no N 5 . 34379 JPT 6 . SING C2 C1 no N 6 . 34379 JPT 7 . DOUB C13 C12 yes N 7 . 34379 JPT 8 . SING C13 C8 yes N 8 . 34379 JPT 9 . SING C12 S2 yes N 9 . 34379 JPT 10 . SING C4 C7 no N 10 . 34379 JPT 11 . DOUB C4 C5 no N 11 . 34379 JPT 12 . SING C1 C5 no N 12 . 34379 JPT 13 . DOUB C1 O2 no N 13 . 34379 JPT 14 . SING C8 C7 no N 14 . 34379 JPT 15 . DOUB C8 C11 yes N 15 . 34379 JPT 16 . SING C5 O4 no N 16 . 34379 JPT 17 . SING S2 C11 yes N 17 . 34379 JPT 18 . SING C7 H7 no N 18 . 34379 JPT 19 . SING C7 H1 no N 19 . 34379 JPT 20 . SING C11 H11 no N 20 . 34379 JPT 21 . SING C12 H12 no N 21 . 34379 JPT 22 . SING C13 H13 no N 22 . 34379 JPT 23 . SING C6 H62 no N 23 . 34379 JPT 24 . SING C6 H61 no N 24 . 34379 JPT 25 . SING O3 H3 no N 25 . 34379 JPT 26 . SING O4 H4 no N 26 . 34379 JPT 27 . SING C2 H2 no N 27 . 34379 JPT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34379 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.6 mM [U-13C; U-15N] Sortase A protein, 3.2 mM 3-hydroxy-6-(hydroxymethyl)-2-(thiophen-3-ylmethyl)-4H-pyran-4-one, 20 mM sodium acetate, 50 mM sodium chloride, 10 mM calcium chloride, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sortase A protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.6 . . mM 0.2 . . . 34379 1 2 3-hydroxy-6-(hydroxymethyl)-2-(thiophen-3-ylmethyl)-4H-pyran-4-one 'natural abundance' . . . . . . 3.2 . . mM 0.2 . . . 34379 1 3 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 34379 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34379 1 5 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM 1 . . . 34379 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 34379 _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' 0.1 0.02 M 34379 1 pH 6.0 0.1 pH 34379 1 pressure 1 . atm 34379 1 temperature 298 0.2 K 34379 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34379 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34379 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34379 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34379 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34379 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34379 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34379 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34379 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34379 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34379 _Software.ID 4 _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' . . 34379 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34379 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34379 _Software.ID 5 _Software.Type . _Software.Name VNMR _Software.Version 2.1b _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34379 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34379 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34379 _Software.ID 6 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34379 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34379 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34379 _Software.ID 7 _Software.Type . _Software.Name UNIO _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann, F. Fiorito, J. Volk' . . 34379 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34379 7 . 'peak picking' 34379 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34379 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34379 _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 NMR_spectrometer_1 Varian INOVA . 600 . . . 34379 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 34379 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 4 '3D (F1)-15N,13C-filtered 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 5 '2D (F1,F2)-13C,15N-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 7 '2D (F1,F2)-13C,15N-filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34379 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34379 _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 water protons . . . . ppm 4.77 internal indirect 0.251449530 . . . . . 34379 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 34379 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . 34379 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34379 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 34379 1 2 '3D 1H-13C NOESY aliphatic' . . . 34379 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 34379 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 MET HE1 H 1 2.093 0.020 . 1 . . . . A 1 MET HE1 . 34379 1 2 . 1 1 1 1 MET HE2 H 1 2.093 0.020 . 1 . . . . A 1 MET HE2 . 34379 1 3 . 1 1 1 1 MET HE3 H 1 2.093 0.020 . 1 . . . . A 1 MET HE3 . 34379 1 4 . 1 1 1 1 MET CE C 13 17.020 0.300 . 1 . . . . A 1 MET CE . 34379 1 5 . 1 1 2 2 GLN HA H 1 4.360 0.020 . 1 . . . . A 2 GLN HA . 34379 1 6 . 1 1 2 2 GLN HB2 H 1 2.025 0.020 . 2 . . . . A 2 GLN HB2 . 34379 1 7 . 1 1 2 2 GLN HB3 H 1 2.085 0.020 . 2 . . . . A 2 GLN HB3 . 34379 1 8 . 1 1 2 2 GLN HG2 H 1 2.056 0.020 . 2 . . . . A 2 GLN HG2 . 34379 1 9 . 1 1 2 2 GLN HG3 H 1 2.367 0.020 . 2 . . . . A 2 GLN HG3 . 34379 1 10 . 1 1 2 2 GLN C C 13 175.240 0.300 . 1 . . . . A 2 GLN C . 34379 1 11 . 1 1 2 2 GLN CA C 13 55.820 0.300 . 1 . . . . A 2 GLN CA . 34379 1 12 . 1 1 2 2 GLN CB C 13 29.858 0.300 . 1 . . . . A 2 GLN CB . 34379 1 13 . 1 1 2 2 GLN CG C 13 33.967 0.300 . 1 . . . . A 2 GLN CG . 34379 1 14 . 1 1 3 3 ALA H H 1 8.502 0.020 . 1 . . . . A 3 ALA H . 34379 1 15 . 1 1 3 3 ALA HA H 1 4.298 0.020 . 1 . . . . A 3 ALA HA . 34379 1 16 . 1 1 3 3 ALA HB1 H 1 1.352 0.020 . 1 . . . . A 3 ALA HB1 . 34379 1 17 . 1 1 3 3 ALA HB2 H 1 1.352 0.020 . 1 . . . . A 3 ALA HB2 . 34379 1 18 . 1 1 3 3 ALA HB3 H 1 1.352 0.020 . 1 . . . . A 3 ALA HB3 . 34379 1 19 . 1 1 3 3 ALA C C 13 177.330 0.300 . 1 . . . . A 3 ALA C . 34379 1 20 . 1 1 3 3 ALA CA C 13 52.420 0.300 . 1 . . . . A 3 ALA CA . 34379 1 21 . 1 1 3 3 ALA CB C 13 19.542 0.300 . 1 . . . . A 3 ALA CB . 34379 1 22 . 1 1 3 3 ALA N N 15 126.792 0.300 . 1 . . . . A 3 ALA N . 34379 1 23 . 1 1 4 4 LYS H H 1 8.314 0.020 . 1 . . . . A 4 LYS H . 34379 1 24 . 1 1 4 4 LYS HA H 1 4.545 0.020 . 1 . . . . A 4 LYS HA . 34379 1 25 . 1 1 4 4 LYS HB2 H 1 1.672 0.020 . 2 . . . . A 4 LYS HB2 . 34379 1 26 . 1 1 4 4 LYS HB3 H 1 1.830 0.020 . 2 . . . . A 4 LYS HB3 . 34379 1 27 . 1 1 4 4 LYS HG2 H 1 1.445 0.020 . 2 . . . . A 4 LYS HG2 . 34379 1 28 . 1 1 4 4 LYS HG3 H 1 1.483 0.020 . 2 . . . . A 4 LYS HG3 . 34379 1 29 . 1 1 4 4 LYS CA C 13 54.329 0.300 . 1 . . . . A 4 LYS CA . 34379 1 30 . 1 1 4 4 LYS CB C 13 32.557 0.300 . 1 . . . . A 4 LYS CB . 34379 1 31 . 1 1 4 4 LYS CG C 13 24.787 0.300 . 1 . . . . A 4 LYS CG . 34379 1 32 . 1 1 4 4 LYS CD C 13 29.410 0.300 . 1 . . . . A 4 LYS CD . 34379 1 33 . 1 1 4 4 LYS CE C 13 41.960 0.300 . 1 . . . . A 4 LYS CE . 34379 1 34 . 1 1 4 4 LYS N N 15 122.354 0.300 . 1 . . . . A 4 LYS N . 34379 1 35 . 1 1 5 5 PRO HA H 1 4.428 0.020 . 1 . . . . A 5 PRO HA . 34379 1 36 . 1 1 5 5 PRO HB2 H 1 1.709 0.020 . 2 . . . . A 5 PRO HB2 . 34379 1 37 . 1 1 5 5 PRO HB3 H 1 2.113 0.020 . 2 . . . . A 5 PRO HB3 . 34379 1 38 . 1 1 5 5 PRO HG2 H 1 1.878 0.020 . 2 . . . . A 5 PRO HG2 . 34379 1 39 . 1 1 5 5 PRO HG3 H 1 1.953 0.020 . 2 . . . . A 5 PRO HG3 . 34379 1 40 . 1 1 5 5 PRO HD2 H 1 3.613 0.020 . 2 . . . . A 5 PRO HD2 . 34379 1 41 . 1 1 5 5 PRO HD3 H 1 3.813 0.020 . 2 . . . . A 5 PRO HD3 . 34379 1 42 . 1 1 5 5 PRO C C 13 175.750 0.300 . 1 . . . . A 5 PRO C . 34379 1 43 . 1 1 5 5 PRO CA C 13 63.158 0.300 . 1 . . . . A 5 PRO CA . 34379 1 44 . 1 1 5 5 PRO CB C 13 32.234 0.300 . 1 . . . . A 5 PRO CB . 34379 1 45 . 1 1 5 5 PRO CG C 13 27.611 0.300 . 1 . . . . A 5 PRO CG . 34379 1 46 . 1 1 5 5 PRO CD C 13 50.749 0.300 . 1 . . . . A 5 PRO CD . 34379 1 47 . 1 1 6 6 GLN H H 1 8.279 0.020 . 1 . . . . A 6 GLN H . 34379 1 48 . 1 1 6 6 GLN HA H 1 4.558 0.020 . 1 . . . . A 6 GLN HA . 34379 1 49 . 1 1 6 6 GLN HB2 H 1 2.021 0.020 . 2 . . . . A 6 GLN HB2 . 34379 1 50 . 1 1 6 6 GLN HB3 H 1 1.788 0.020 . 2 . . . . A 6 GLN HB3 . 34379 1 51 . 1 1 6 6 GLN HG2 H 1 2.285 0.020 . 2 . . . . A 6 GLN HG2 . 34379 1 52 . 1 1 6 6 GLN HG3 H 1 2.338 0.020 . 2 . . . . A 6 GLN HG3 . 34379 1 53 . 1 1 6 6 GLN HE21 H 1 6.895 0.020 . 1 . . . . A 6 GLN HE21 . 34379 1 54 . 1 1 6 6 GLN HE22 H 1 7.442 0.020 . 1 . . . . A 6 GLN HE22 . 34379 1 55 . 1 1 6 6 GLN C C 13 175.530 0.300 . 1 . . . . A 6 GLN C . 34379 1 56 . 1 1 6 6 GLN CA C 13 54.210 0.300 . 1 . . . . A 6 GLN CA . 34379 1 57 . 1 1 6 6 GLN CB C 13 32.355 0.300 . 1 . . . . A 6 GLN CB . 34379 1 58 . 1 1 6 6 GLN CG C 13 33.522 0.300 . 1 . . . . A 6 GLN CG . 34379 1 59 . 1 1 6 6 GLN N N 15 118.403 0.300 . 1 . . . . A 6 GLN N . 34379 1 60 . 1 1 6 6 GLN NE2 N 15 112.662 0.300 . 1 . . . . A 6 GLN NE2 . 34379 1 61 . 1 1 7 7 ILE H H 1 8.584 0.020 . 1 . . . . A 7 ILE H . 34379 1 62 . 1 1 7 7 ILE HA H 1 4.235 0.020 . 1 . . . . A 7 ILE HA . 34379 1 63 . 1 1 7 7 ILE HB H 1 1.703 0.020 . 1 . . . . A 7 ILE HB . 34379 1 64 . 1 1 7 7 ILE HG12 H 1 0.645 0.020 . 2 . . . . A 7 ILE HG12 . 34379 1 65 . 1 1 7 7 ILE HG13 H 1 1.599 0.020 . 2 . . . . A 7 ILE HG13 . 34379 1 66 . 1 1 7 7 ILE HG21 H 1 1.059 0.020 . 1 . . . . A 7 ILE HG21 . 34379 1 67 . 1 1 7 7 ILE HG22 H 1 1.059 0.020 . 1 . . . . A 7 ILE HG22 . 34379 1 68 . 1 1 7 7 ILE HG23 H 1 1.059 0.020 . 1 . . . . A 7 ILE HG23 . 34379 1 69 . 1 1 7 7 ILE HD11 H 1 0.101 0.020 . 1 . . . . A 7 ILE HD11 . 34379 1 70 . 1 1 7 7 ILE HD12 H 1 0.101 0.020 . 1 . . . . A 7 ILE HD12 . 34379 1 71 . 1 1 7 7 ILE HD13 H 1 0.101 0.020 . 1 . . . . A 7 ILE HD13 . 34379 1 72 . 1 1 7 7 ILE CA C 13 60.266 0.300 . 1 . . . . A 7 ILE CA . 34379 1 73 . 1 1 7 7 ILE CB C 13 39.160 0.300 . 1 . . . . A 7 ILE CB . 34379 1 74 . 1 1 7 7 ILE CG1 C 13 29.073 0.300 . 1 . . . . A 7 ILE CG1 . 34379 1 75 . 1 1 7 7 ILE CG2 C 13 16.931 0.300 . 1 . . . . A 7 ILE CG2 . 34379 1 76 . 1 1 7 7 ILE CD1 C 13 12.297 0.300 . 1 . . . . A 7 ILE CD1 . 34379 1 77 . 1 1 7 7 ILE N N 15 125.054 0.300 . 1 . . . . A 7 ILE N . 34379 1 78 . 1 1 8 8 PRO HA H 1 4.370 0.020 . 1 . . . . A 8 PRO HA . 34379 1 79 . 1 1 8 8 PRO HB2 H 1 2.119 0.020 . 2 . . . . A 8 PRO HB2 . 34379 1 80 . 1 1 8 8 PRO HB3 H 1 2.449 0.020 . 2 . . . . A 8 PRO HB3 . 34379 1 81 . 1 1 8 8 PRO HG2 H 1 2.115 0.020 . 2 . . . . A 8 PRO HG2 . 34379 1 82 . 1 1 8 8 PRO HG3 H 1 1.975 0.020 . 2 . . . . A 8 PRO HG3 . 34379 1 83 . 1 1 8 8 PRO HD2 H 1 4.173 0.020 . 2 . . . . A 8 PRO HD2 . 34379 1 84 . 1 1 8 8 PRO HD3 H 1 3.574 0.020 . 2 . . . . A 8 PRO HD3 . 34379 1 85 . 1 1 8 8 PRO C C 13 176.970 0.300 . 1 . . . . A 8 PRO C . 34379 1 86 . 1 1 8 8 PRO CA C 13 63.499 0.300 . 1 . . . . A 8 PRO CA . 34379 1 87 . 1 1 8 8 PRO CB C 13 32.820 0.300 . 1 . . . . A 8 PRO CB . 34379 1 88 . 1 1 8 8 PRO CG C 13 27.340 0.300 . 1 . . . . A 8 PRO CG . 34379 1 89 . 1 1 8 8 PRO CD C 13 51.676 0.300 . 1 . . . . A 8 PRO CD . 34379 1 90 . 1 1 9 9 LYS H H 1 8.206 0.020 . 1 . . . . A 9 LYS H . 34379 1 91 . 1 1 9 9 LYS HA H 1 4.256 0.020 . 1 . . . . A 9 LYS HA . 34379 1 92 . 1 1 9 9 LYS HB2 H 1 1.756 0.020 . 2 . . . . A 9 LYS HB2 . 34379 1 93 . 1 1 9 9 LYS HB3 H 1 1.883 0.020 . 2 . . . . A 9 LYS HB3 . 34379 1 94 . 1 1 9 9 LYS HG2 H 1 1.502 0.020 . 2 . . . . A 9 LYS HG2 . 34379 1 95 . 1 1 9 9 LYS HG3 H 1 1.565 0.020 . 2 . . . . A 9 LYS HG3 . 34379 1 96 . 1 1 9 9 LYS HD2 H 1 1.697 0.020 . 1 . . . . A 9 LYS HD2 . 34379 1 97 . 1 1 9 9 LYS HD3 H 1 1.697 0.020 . 1 . . . . A 9 LYS HD3 . 34379 1 98 . 1 1 9 9 LYS HE2 H 1 3.022 0.020 . 1 . . . . A 9 LYS HE2 . 34379 1 99 . 1 1 9 9 LYS HE3 H 1 3.022 0.020 . 1 . . . . A 9 LYS HE3 . 34379 1 100 . 1 1 9 9 LYS C C 13 177.250 0.300 . 1 . . . . A 9 LYS C . 34379 1 101 . 1 1 9 9 LYS CA C 13 56.551 0.300 . 1 . . . . A 9 LYS CA . 34379 1 102 . 1 1 9 9 LYS CB C 13 32.727 0.300 . 1 . . . . A 9 LYS CB . 34379 1 103 . 1 1 9 9 LYS CG C 13 25.195 0.300 . 1 . . . . A 9 LYS CG . 34379 1 104 . 1 1 9 9 LYS CD C 13 28.796 0.300 . 1 . . . . A 9 LYS CD . 34379 1 105 . 1 1 9 9 LYS CE C 13 42.435 0.300 . 1 . . . . A 9 LYS CE . 34379 1 106 . 1 1 9 9 LYS N N 15 119.528 0.300 . 1 . . . . A 9 LYS N . 34379 1 107 . 1 1 10 10 ASP H H 1 7.384 0.020 . 1 . . . . A 10 ASP H . 34379 1 108 . 1 1 10 10 ASP HA H 1 4.581 0.020 . 1 . . . . A 10 ASP HA . 34379 1 109 . 1 1 10 10 ASP HB2 H 1 2.796 0.020 . 2 . . . . A 10 ASP HB2 . 34379 1 110 . 1 1 10 10 ASP HB3 H 1 2.615 0.020 . 2 . . . . A 10 ASP HB3 . 34379 1 111 . 1 1 10 10 ASP C C 13 176.650 0.300 . 1 . . . . A 10 ASP C . 34379 1 112 . 1 1 10 10 ASP CA C 13 53.346 0.300 . 1 . . . . A 10 ASP CA . 34379 1 113 . 1 1 10 10 ASP CB C 13 41.479 0.300 . 1 . . . . A 10 ASP CB . 34379 1 114 . 1 1 10 10 ASP N N 15 118.802 0.300 . 1 . . . . A 10 ASP N . 34379 1 115 . 1 1 11 11 LYS H H 1 8.475 0.020 . 1 . . . . A 11 LYS H . 34379 1 116 . 1 1 11 11 LYS HA H 1 3.879 0.020 . 1 . . . . A 11 LYS HA . 34379 1 117 . 1 1 11 11 LYS HB2 H 1 1.760 0.020 . 2 . . . . A 11 LYS HB2 . 34379 1 118 . 1 1 11 11 LYS HB3 H 1 2.080 0.020 . 2 . . . . A 11 LYS HB3 . 34379 1 119 . 1 1 11 11 LYS HG2 H 1 1.493 0.020 . 2 . . . . A 11 LYS HG2 . 34379 1 120 . 1 1 11 11 LYS HG3 H 1 1.640 0.020 . 2 . . . . A 11 LYS HG3 . 34379 1 121 . 1 1 11 11 LYS HD2 H 1 1.587 0.020 . 2 . . . . A 11 LYS HD2 . 34379 1 122 . 1 1 11 11 LYS HD3 H 1 1.635 0.020 . 2 . . . . A 11 LYS HD3 . 34379 1 123 . 1 1 11 11 LYS HE2 H 1 3.129 0.020 . 1 . . . . A 11 LYS HE2 . 34379 1 124 . 1 1 11 11 LYS HE3 H 1 3.129 0.020 . 1 . . . . A 11 LYS HE3 . 34379 1 125 . 1 1 11 11 LYS C C 13 175.770 0.300 . 1 . . . . A 11 LYS C . 34379 1 126 . 1 1 11 11 LYS CA C 13 58.283 0.300 . 1 . . . . A 11 LYS CA . 34379 1 127 . 1 1 11 11 LYS CB C 13 31.860 0.300 . 1 . . . . A 11 LYS CB . 34379 1 128 . 1 1 11 11 LYS CG C 13 25.886 0.300 . 1 . . . . A 11 LYS CG . 34379 1 129 . 1 1 11 11 LYS CD C 13 29.226 0.300 . 1 . . . . A 11 LYS CD . 34379 1 130 . 1 1 11 11 LYS CE C 13 42.642 0.300 . 1 . . . . A 11 LYS CE . 34379 1 131 . 1 1 11 11 LYS N N 15 124.236 0.300 . 1 . . . . A 11 LYS N . 34379 1 132 . 1 1 12 12 SER H H 1 8.666 0.020 . 1 . . . . A 12 SER H . 34379 1 133 . 1 1 12 12 SER HA H 1 4.286 0.020 . 1 . . . . A 12 SER HA . 34379 1 134 . 1 1 12 12 SER HB2 H 1 3.768 0.020 . 2 . . . . A 12 SER HB2 . 34379 1 135 . 1 1 12 12 SER HB3 H 1 4.066 0.020 . 2 . . . . A 12 SER HB3 . 34379 1 136 . 1 1 12 12 SER C C 13 174.080 0.300 . 1 . . . . A 12 SER C . 34379 1 137 . 1 1 12 12 SER CA C 13 58.645 0.300 . 1 . . . . A 12 SER CA . 34379 1 138 . 1 1 12 12 SER CB C 13 64.989 0.300 . 1 . . . . A 12 SER CB . 34379 1 139 . 1 1 12 12 SER N N 15 111.319 0.300 . 1 . . . . A 12 SER N . 34379 1 140 . 1 1 13 13 LYS H H 1 7.615 0.020 . 1 . . . . A 13 LYS H . 34379 1 141 . 1 1 13 13 LYS HA H 1 4.496 0.020 . 1 . . . . A 13 LYS HA . 34379 1 142 . 1 1 13 13 LYS HB2 H 1 1.815 0.020 . 2 . . . . A 13 LYS HB2 . 34379 1 143 . 1 1 13 13 LYS HB3 H 1 1.711 0.020 . 2 . . . . A 13 LYS HB3 . 34379 1 144 . 1 1 13 13 LYS HG2 H 1 1.319 0.020 . 2 . . . . A 13 LYS HG2 . 34379 1 145 . 1 1 13 13 LYS HG3 H 1 1.459 0.020 . 2 . . . . A 13 LYS HG3 . 34379 1 146 . 1 1 13 13 LYS HD2 H 1 1.696 0.020 . 1 . . . . A 13 LYS HD2 . 34379 1 147 . 1 1 13 13 LYS HD3 H 1 1.696 0.020 . 1 . . . . A 13 LYS HD3 . 34379 1 148 . 1 1 13 13 LYS HE2 H 1 2.984 0.020 . 1 . . . . A 13 LYS HE2 . 34379 1 149 . 1 1 13 13 LYS HE3 H 1 2.984 0.020 . 1 . . . . A 13 LYS HE3 . 34379 1 150 . 1 1 13 13 LYS C C 13 174.050 0.300 . 1 . . . . A 13 LYS C . 34379 1 151 . 1 1 13 13 LYS CA C 13 54.799 0.300 . 1 . . . . A 13 LYS CA . 34379 1 152 . 1 1 13 13 LYS CB C 13 33.967 0.300 . 1 . . . . A 13 LYS CB . 34379 1 153 . 1 1 13 13 LYS CG C 13 25.318 0.300 . 1 . . . . A 13 LYS CG . 34379 1 154 . 1 1 13 13 LYS CD C 13 29.090 0.300 . 1 . . . . A 13 LYS CD . 34379 1 155 . 1 1 13 13 LYS CE C 13 42.355 0.300 . 1 . . . . A 13 LYS CE . 34379 1 156 . 1 1 13 13 LYS N N 15 124.435 0.300 . 1 . . . . A 13 LYS N . 34379 1 157 . 1 1 14 14 VAL H H 1 7.801 0.020 . 1 . . . . A 14 VAL H . 34379 1 158 . 1 1 14 14 VAL HA H 1 2.869 0.020 . 1 . . . . A 14 VAL HA . 34379 1 159 . 1 1 14 14 VAL HB H 1 1.699 0.020 . 1 . . . . A 14 VAL HB . 34379 1 160 . 1 1 14 14 VAL HG11 H 1 0.662 0.020 . 2 . . . . A 14 VAL HG11 . 34379 1 161 . 1 1 14 14 VAL HG12 H 1 0.662 0.020 . 2 . . . . A 14 VAL HG12 . 34379 1 162 . 1 1 14 14 VAL HG13 H 1 0.662 0.020 . 2 . . . . A 14 VAL HG13 . 34379 1 163 . 1 1 14 14 VAL HG21 H 1 0.493 0.020 . 2 . . . . A 14 VAL HG21 . 34379 1 164 . 1 1 14 14 VAL HG22 H 1 0.493 0.020 . 2 . . . . A 14 VAL HG22 . 34379 1 165 . 1 1 14 14 VAL HG23 H 1 0.493 0.020 . 2 . . . . A 14 VAL HG23 . 34379 1 166 . 1 1 14 14 VAL C C 13 176.720 0.300 . 1 . . . . A 14 VAL C . 34379 1 167 . 1 1 14 14 VAL CA C 13 64.105 0.300 . 1 . . . . A 14 VAL CA . 34379 1 168 . 1 1 14 14 VAL CB C 13 32.844 0.300 . 1 . . . . A 14 VAL CB . 34379 1 169 . 1 1 14 14 VAL CG1 C 13 23.273 0.300 . 1 . . . . A 14 VAL CG1 . 34379 1 170 . 1 1 14 14 VAL CG2 C 13 22.388 0.300 . 1 . . . . A 14 VAL CG2 . 34379 1 171 . 1 1 14 14 VAL N N 15 119.731 0.300 . 1 . . . . A 14 VAL N . 34379 1 172 . 1 1 15 15 ALA H H 1 9.298 0.020 . 1 . . . . A 15 ALA H . 34379 1 173 . 1 1 15 15 ALA HA H 1 4.389 0.020 . 1 . . . . A 15 ALA HA . 34379 1 174 . 1 1 15 15 ALA HB1 H 1 1.444 0.020 . 1 . . . . A 15 ALA HB1 . 34379 1 175 . 1 1 15 15 ALA HB2 H 1 1.444 0.020 . 1 . . . . A 15 ALA HB2 . 34379 1 176 . 1 1 15 15 ALA HB3 H 1 1.444 0.020 . 1 . . . . A 15 ALA HB3 . 34379 1 177 . 1 1 15 15 ALA C C 13 176.960 0.300 . 1 . . . . A 15 ALA C . 34379 1 178 . 1 1 15 15 ALA CA C 13 52.473 0.300 . 1 . . . . A 15 ALA CA . 34379 1 179 . 1 1 15 15 ALA CB C 13 22.118 0.300 . 1 . . . . A 15 ALA CB . 34379 1 180 . 1 1 15 15 ALA N N 15 128.296 0.300 . 1 . . . . A 15 ALA N . 34379 1 181 . 1 1 16 16 GLY H H 1 7.406 0.020 . 1 . . . . A 16 GLY H . 34379 1 182 . 1 1 16 16 GLY HA2 H 1 4.009 0.020 . 2 . . . . A 16 GLY HA2 . 34379 1 183 . 1 1 16 16 GLY HA3 H 1 4.146 0.020 . 2 . . . . A 16 GLY HA3 . 34379 1 184 . 1 1 16 16 GLY C C 13 170.170 0.300 . 1 . . . . A 16 GLY C . 34379 1 185 . 1 1 16 16 GLY CA C 13 45.668 0.300 . 1 . . . . A 16 GLY CA . 34379 1 186 . 1 1 16 16 GLY N N 15 104.439 0.300 . 1 . . . . A 16 GLY N . 34379 1 187 . 1 1 17 17 TYR H H 1 8.911 0.020 . 1 . . . . A 17 TYR H . 34379 1 188 . 1 1 17 17 TYR HA H 1 5.262 0.020 . 1 . . . . A 17 TYR HA . 34379 1 189 . 1 1 17 17 TYR HB2 H 1 2.693 0.020 . 2 . . . . A 17 TYR HB2 . 34379 1 190 . 1 1 17 17 TYR HB3 H 1 2.813 0.020 . 2 . . . . A 17 TYR HB3 . 34379 1 191 . 1 1 17 17 TYR HD1 H 1 6.847 0.020 . 1 . . . . A 17 TYR HD1 . 34379 1 192 . 1 1 17 17 TYR HD2 H 1 6.847 0.020 . 1 . . . . A 17 TYR HD2 . 34379 1 193 . 1 1 17 17 TYR HE1 H 1 6.701 0.020 . 1 . . . . A 17 TYR HE1 . 34379 1 194 . 1 1 17 17 TYR HE2 H 1 6.701 0.020 . 1 . . . . A 17 TYR HE2 . 34379 1 195 . 1 1 17 17 TYR C C 13 174.370 0.300 . 1 . . . . A 17 TYR C . 34379 1 196 . 1 1 17 17 TYR CA C 13 57.535 0.300 . 1 . . . . A 17 TYR CA . 34379 1 197 . 1 1 17 17 TYR CB C 13 43.085 0.300 . 1 . . . . A 17 TYR CB . 34379 1 198 . 1 1 17 17 TYR CD1 C 13 133.297 0.300 . 1 . . . . A 17 TYR CD1 . 34379 1 199 . 1 1 17 17 TYR CD2 C 13 133.296 0.300 . 1 . . . . A 17 TYR CD2 . 34379 1 200 . 1 1 17 17 TYR CE1 C 13 118.120 0.300 . 1 . . . . A 17 TYR CE1 . 34379 1 201 . 1 1 17 17 TYR CE2 C 13 118.120 0.300 . 1 . . . . A 17 TYR CE2 . 34379 1 202 . 1 1 17 17 TYR N N 15 117.664 0.300 . 1 . . . . A 17 TYR N . 34379 1 203 . 1 1 18 18 ILE H H 1 9.481 0.020 . 1 . . . . A 18 ILE H . 34379 1 204 . 1 1 18 18 ILE HA H 1 5.593 0.020 . 1 . . . . A 18 ILE HA . 34379 1 205 . 1 1 18 18 ILE HB H 1 1.391 0.020 . 1 . . . . A 18 ILE HB . 34379 1 206 . 1 1 18 18 ILE HG12 H 1 0.896 0.020 . 2 . . . . A 18 ILE HG12 . 34379 1 207 . 1 1 18 18 ILE HG13 H 1 1.428 0.020 . 2 . . . . A 18 ILE HG13 . 34379 1 208 . 1 1 18 18 ILE HG21 H 1 0.860 0.020 . 1 . . . . A 18 ILE HG21 . 34379 1 209 . 1 1 18 18 ILE HG22 H 1 0.860 0.020 . 1 . . . . A 18 ILE HG22 . 34379 1 210 . 1 1 18 18 ILE HG23 H 1 0.860 0.020 . 1 . . . . A 18 ILE HG23 . 34379 1 211 . 1 1 18 18 ILE HD11 H 1 0.540 0.020 . 1 . . . . A 18 ILE HD11 . 34379 1 212 . 1 1 18 18 ILE HD12 H 1 0.540 0.020 . 1 . . . . A 18 ILE HD12 . 34379 1 213 . 1 1 18 18 ILE HD13 H 1 0.540 0.020 . 1 . . . . A 18 ILE HD13 . 34379 1 214 . 1 1 18 18 ILE C C 13 172.860 0.300 . 1 . . . . A 18 ILE C . 34379 1 215 . 1 1 18 18 ILE CA C 13 57.660 0.300 . 1 . . . . A 18 ILE CA . 34379 1 216 . 1 1 18 18 ILE CB C 13 42.941 0.300 . 1 . . . . A 18 ILE CB . 34379 1 217 . 1 1 18 18 ILE CG1 C 13 29.619 0.300 . 1 . . . . A 18 ILE CG1 . 34379 1 218 . 1 1 18 18 ILE CG2 C 13 16.928 0.300 . 1 . . . . A 18 ILE CG2 . 34379 1 219 . 1 1 18 18 ILE CD1 C 13 15.349 0.300 . 1 . . . . A 18 ILE CD1 . 34379 1 220 . 1 1 18 18 ILE N N 15 123.261 0.300 . 1 . . . . A 18 ILE N . 34379 1 221 . 1 1 19 19 GLU H H 1 9.313 0.020 . 1 . . . . A 19 GLU H . 34379 1 222 . 1 1 19 19 GLU HA H 1 5.463 0.020 . 1 . . . . A 19 GLU HA . 34379 1 223 . 1 1 19 19 GLU HB2 H 1 2.136 0.020 . 2 . . . . A 19 GLU HB2 . 34379 1 224 . 1 1 19 19 GLU HB3 H 1 2.112 0.020 . 2 . . . . A 19 GLU HB3 . 34379 1 225 . 1 1 19 19 GLU HG2 H 1 2.115 0.020 . 2 . . . . A 19 GLU HG2 . 34379 1 226 . 1 1 19 19 GLU HG3 H 1 2.320 0.020 . 2 . . . . A 19 GLU HG3 . 34379 1 227 . 1 1 19 19 GLU C C 13 175.910 0.300 . 1 . . . . A 19 GLU C . 34379 1 228 . 1 1 19 19 GLU CA C 13 54.468 0.300 . 1 . . . . A 19 GLU CA . 34379 1 229 . 1 1 19 19 GLU CB C 13 34.088 0.300 . 1 . . . . A 19 GLU CB . 34379 1 230 . 1 1 19 19 GLU CG C 13 36.568 0.300 . 1 . . . . A 19 GLU CG . 34379 1 231 . 1 1 19 19 GLU N N 15 126.314 0.300 . 1 . . . . A 19 GLU N . 34379 1 232 . 1 1 20 20 ILE H H 1 8.809 0.020 . 1 . . . . A 20 ILE H . 34379 1 233 . 1 1 20 20 ILE HA H 1 4.969 0.020 . 1 . . . . A 20 ILE HA . 34379 1 234 . 1 1 20 20 ILE HB H 1 1.868 0.020 . 1 . . . . A 20 ILE HB . 34379 1 235 . 1 1 20 20 ILE HG12 H 1 0.962 0.020 . 2 . . . . A 20 ILE HG12 . 34379 1 236 . 1 1 20 20 ILE HG13 H 1 1.426 0.020 . 2 . . . . A 20 ILE HG13 . 34379 1 237 . 1 1 20 20 ILE HG21 H 1 0.719 0.020 . 1 . . . . A 20 ILE HG21 . 34379 1 238 . 1 1 20 20 ILE HG22 H 1 0.719 0.020 . 1 . . . . A 20 ILE HG22 . 34379 1 239 . 1 1 20 20 ILE HG23 H 1 0.719 0.020 . 1 . . . . A 20 ILE HG23 . 34379 1 240 . 1 1 20 20 ILE HD11 H 1 0.415 0.020 . 1 . . . . A 20 ILE HD11 . 34379 1 241 . 1 1 20 20 ILE HD12 H 1 0.415 0.020 . 1 . . . . A 20 ILE HD12 . 34379 1 242 . 1 1 20 20 ILE HD13 H 1 0.415 0.020 . 1 . . . . A 20 ILE HD13 . 34379 1 243 . 1 1 20 20 ILE CA C 13 58.565 0.300 . 1 . . . . A 20 ILE CA . 34379 1 244 . 1 1 20 20 ILE CB C 13 39.818 0.300 . 1 . . . . A 20 ILE CB . 34379 1 245 . 1 1 20 20 ILE CG1 C 13 28.137 0.300 . 1 . . . . A 20 ILE CG1 . 34379 1 246 . 1 1 20 20 ILE CG2 C 13 18.385 0.300 . 1 . . . . A 20 ILE CG2 . 34379 1 247 . 1 1 20 20 ILE CD1 C 13 15.317 0.300 . 1 . . . . A 20 ILE CD1 . 34379 1 248 . 1 1 20 20 ILE N N 15 121.557 0.300 . 1 . . . . A 20 ILE N . 34379 1 249 . 1 1 21 21 PRO HA H 1 4.578 0.020 . 1 . . . . A 21 PRO HA . 34379 1 250 . 1 1 21 21 PRO HB2 H 1 2.185 0.020 . 2 . . . . A 21 PRO HB2 . 34379 1 251 . 1 1 21 21 PRO HB3 H 1 2.501 0.020 . 2 . . . . A 21 PRO HB3 . 34379 1 252 . 1 1 21 21 PRO HG2 H 1 2.201 0.020 . 2 . . . . A 21 PRO HG2 . 34379 1 253 . 1 1 21 21 PRO HG3 H 1 2.320 0.020 . 2 . . . . A 21 PRO HG3 . 34379 1 254 . 1 1 21 21 PRO HD2 H 1 3.589 0.020 . 2 . . . . A 21 PRO HD2 . 34379 1 255 . 1 1 21 21 PRO HD3 H 1 4.210 0.020 . 2 . . . . A 21 PRO HD3 . 34379 1 256 . 1 1 21 21 PRO C C 13 180.260 0.300 . 1 . . . . A 21 PRO C . 34379 1 257 . 1 1 21 21 PRO CA C 13 66.193 0.300 . 1 . . . . A 21 PRO CA . 34379 1 258 . 1 1 21 21 PRO CB C 13 32.248 0.300 . 1 . . . . A 21 PRO CB . 34379 1 259 . 1 1 21 21 PRO CG C 13 27.618 0.300 . 1 . . . . A 21 PRO CG . 34379 1 260 . 1 1 21 21 PRO CD C 13 50.776 0.300 . 1 . . . . A 21 PRO CD . 34379 1 261 . 1 1 22 22 ASP H H 1 9.836 0.020 . 1 . . . . A 22 ASP H . 34379 1 262 . 1 1 22 22 ASP HA H 1 4.418 0.020 . 1 . . . . A 22 ASP HA . 34379 1 263 . 1 1 22 22 ASP HB2 H 1 2.420 0.020 . 2 . . . . A 22 ASP HB2 . 34379 1 264 . 1 1 22 22 ASP HB3 H 1 2.731 0.020 . 2 . . . . A 22 ASP HB3 . 34379 1 265 . 1 1 22 22 ASP C C 13 175.920 0.300 . 1 . . . . A 22 ASP C . 34379 1 266 . 1 1 22 22 ASP CA C 13 56.965 0.300 . 1 . . . . A 22 ASP CA . 34379 1 267 . 1 1 22 22 ASP CB C 13 40.269 0.300 . 1 . . . . A 22 ASP CB . 34379 1 268 . 1 1 22 22 ASP N N 15 118.245 0.300 . 1 . . . . A 22 ASP N . 34379 1 269 . 1 1 23 23 ALA H H 1 7.486 0.020 . 1 . . . . A 23 ALA H . 34379 1 270 . 1 1 23 23 ALA HA H 1 4.503 0.020 . 1 . . . . A 23 ALA HA . 34379 1 271 . 1 1 23 23 ALA HB1 H 1 1.129 0.020 . 1 . . . . A 23 ALA HB1 . 34379 1 272 . 1 1 23 23 ALA HB2 H 1 1.129 0.020 . 1 . . . . A 23 ALA HB2 . 34379 1 273 . 1 1 23 23 ALA HB3 H 1 1.129 0.020 . 1 . . . . A 23 ALA HB3 . 34379 1 274 . 1 1 23 23 ALA C C 13 175.850 0.300 . 1 . . . . A 23 ALA C . 34379 1 275 . 1 1 23 23 ALA CA C 13 50.179 0.300 . 1 . . . . A 23 ALA CA . 34379 1 276 . 1 1 23 23 ALA CB C 13 22.036 0.300 . 1 . . . . A 23 ALA CB . 34379 1 277 . 1 1 23 23 ALA N N 15 117.376 0.300 . 1 . . . . A 23 ALA N . 34379 1 278 . 1 1 24 24 ASP H H 1 8.112 0.020 . 1 . . . . A 24 ASP H . 34379 1 279 . 1 1 24 24 ASP HA H 1 4.310 0.020 . 1 . . . . A 24 ASP HA . 34379 1 280 . 1 1 24 24 ASP HB2 H 1 3.062 0.020 . 2 . . . . A 24 ASP HB2 . 34379 1 281 . 1 1 24 24 ASP HB3 H 1 2.531 0.020 . 2 . . . . A 24 ASP HB3 . 34379 1 282 . 1 1 24 24 ASP C C 13 174.610 0.300 . 1 . . . . A 24 ASP C . 34379 1 283 . 1 1 24 24 ASP CA C 13 55.714 0.300 . 1 . . . . A 24 ASP CA . 34379 1 284 . 1 1 24 24 ASP CB C 13 40.048 0.300 . 1 . . . . A 24 ASP CB . 34379 1 285 . 1 1 24 24 ASP N N 15 119.455 0.300 . 1 . . . . A 24 ASP N . 34379 1 286 . 1 1 25 25 ILE H H 1 7.067 0.020 . 1 . . . . A 25 ILE H . 34379 1 287 . 1 1 25 25 ILE HA H 1 4.412 0.020 . 1 . . . . A 25 ILE HA . 34379 1 288 . 1 1 25 25 ILE HB H 1 1.420 0.020 . 1 . . . . A 25 ILE HB . 34379 1 289 . 1 1 25 25 ILE HG12 H 1 1.280 0.020 . 2 . . . . A 25 ILE HG12 . 34379 1 290 . 1 1 25 25 ILE HG13 H 1 1.704 0.020 . 2 . . . . A 25 ILE HG13 . 34379 1 291 . 1 1 25 25 ILE HG21 H 1 0.904 0.020 . 1 . . . . A 25 ILE HG21 . 34379 1 292 . 1 1 25 25 ILE HG22 H 1 0.904 0.020 . 1 . . . . A 25 ILE HG22 . 34379 1 293 . 1 1 25 25 ILE HG23 H 1 0.904 0.020 . 1 . . . . A 25 ILE HG23 . 34379 1 294 . 1 1 25 25 ILE HD11 H 1 0.652 0.020 . 1 . . . . A 25 ILE HD11 . 34379 1 295 . 1 1 25 25 ILE HD12 H 1 0.652 0.020 . 1 . . . . A 25 ILE HD12 . 34379 1 296 . 1 1 25 25 ILE HD13 H 1 0.652 0.020 . 1 . . . . A 25 ILE HD13 . 34379 1 297 . 1 1 25 25 ILE C C 13 176.540 0.300 . 1 . . . . A 25 ILE C . 34379 1 298 . 1 1 25 25 ILE CA C 13 61.020 0.300 . 1 . . . . A 25 ILE CA . 34379 1 299 . 1 1 25 25 ILE CB C 13 40.910 0.300 . 1 . . . . A 25 ILE CB . 34379 1 300 . 1 1 25 25 ILE CG1 C 13 28.198 0.300 . 1 . . . . A 25 ILE CG1 . 34379 1 301 . 1 1 25 25 ILE CG2 C 13 16.515 0.300 . 1 . . . . A 25 ILE CG2 . 34379 1 302 . 1 1 25 25 ILE CD1 C 13 15.429 0.300 . 1 . . . . A 25 ILE CD1 . 34379 1 303 . 1 1 25 25 ILE N N 15 116.349 0.300 . 1 . . . . A 25 ILE N . 34379 1 304 . 1 1 26 26 LYS H H 1 9.454 0.020 . 1 . . . . A 26 LYS H . 34379 1 305 . 1 1 26 26 LYS HA H 1 5.057 0.020 . 1 . . . . A 26 LYS HA . 34379 1 306 . 1 1 26 26 LYS HB2 H 1 1.877 0.020 . 2 . . . . A 26 LYS HB2 . 34379 1 307 . 1 1 26 26 LYS HB3 H 1 1.756 0.020 . 2 . . . . A 26 LYS HB3 . 34379 1 308 . 1 1 26 26 LYS HG2 H 1 1.285 0.020 . 1 . . . . A 26 LYS HG2 . 34379 1 309 . 1 1 26 26 LYS HG3 H 1 1.285 0.020 . 1 . . . . A 26 LYS HG3 . 34379 1 310 . 1 1 26 26 LYS HD2 H 1 1.599 0.020 . 1 . . . . A 26 LYS HD2 . 34379 1 311 . 1 1 26 26 LYS HD3 H 1 1.599 0.020 . 1 . . . . A 26 LYS HD3 . 34379 1 312 . 1 1 26 26 LYS HE2 H 1 2.829 0.020 . 1 . . . . A 26 LYS HE2 . 34379 1 313 . 1 1 26 26 LYS HE3 H 1 2.829 0.020 . 1 . . . . A 26 LYS HE3 . 34379 1 314 . 1 1 26 26 LYS C C 13 175.010 0.300 . 1 . . . . A 26 LYS C . 34379 1 315 . 1 1 26 26 LYS CA C 13 57.115 0.300 . 1 . . . . A 26 LYS CA . 34379 1 316 . 1 1 26 26 LYS CB C 13 33.877 0.300 . 1 . . . . A 26 LYS CB . 34379 1 317 . 1 1 26 26 LYS CG C 13 25.445 0.300 . 1 . . . . A 26 LYS CG . 34379 1 318 . 1 1 26 26 LYS CD C 13 29.953 0.300 . 1 . . . . A 26 LYS CD . 34379 1 319 . 1 1 26 26 LYS CE C 13 42.179 0.300 . 1 . . . . A 26 LYS CE . 34379 1 320 . 1 1 26 26 LYS N N 15 133.919 0.300 . 1 . . . . A 26 LYS N . 34379 1 321 . 1 1 27 27 GLU H H 1 8.921 0.020 . 1 . . . . A 27 GLU H . 34379 1 322 . 1 1 27 27 GLU HA H 1 5.228 0.020 . 1 . . . . A 27 GLU HA . 34379 1 323 . 1 1 27 27 GLU HB2 H 1 1.384 0.020 . 2 . . . . A 27 GLU HB2 . 34379 1 324 . 1 1 27 27 GLU HB3 H 1 2.079 0.020 . 2 . . . . A 27 GLU HB3 . 34379 1 325 . 1 1 27 27 GLU HG2 H 1 1.913 0.020 . 2 . . . . A 27 GLU HG2 . 34379 1 326 . 1 1 27 27 GLU HG3 H 1 2.280 0.020 . 2 . . . . A 27 GLU HG3 . 34379 1 327 . 1 1 27 27 GLU CA C 13 52.513 0.300 . 1 . . . . A 27 GLU CA . 34379 1 328 . 1 1 27 27 GLU CB C 13 34.471 0.300 . 1 . . . . A 27 GLU CB . 34379 1 329 . 1 1 27 27 GLU CG C 13 35.852 0.300 . 1 . . . . A 27 GLU CG . 34379 1 330 . 1 1 27 27 GLU N N 15 123.596 0.300 . 1 . . . . A 27 GLU N . 34379 1 331 . 1 1 28 28 PRO HA H 1 4.280 0.020 . 1 . . . . A 28 PRO HA . 34379 1 332 . 1 1 28 28 PRO HB2 H 1 1.506 0.020 . 2 . . . . A 28 PRO HB2 . 34379 1 333 . 1 1 28 28 PRO HB3 H 1 1.942 0.020 . 2 . . . . A 28 PRO HB3 . 34379 1 334 . 1 1 28 28 PRO HG2 H 1 2.220 0.020 . 2 . . . . A 28 PRO HG2 . 34379 1 335 . 1 1 28 28 PRO HG3 H 1 2.364 0.020 . 2 . . . . A 28 PRO HG3 . 34379 1 336 . 1 1 28 28 PRO HD2 H 1 3.888 0.020 . 2 . . . . A 28 PRO HD2 . 34379 1 337 . 1 1 28 28 PRO HD3 H 1 4.142 0.020 . 2 . . . . A 28 PRO HD3 . 34379 1 338 . 1 1 28 28 PRO C C 13 174.590 0.300 . 1 . . . . A 28 PRO C . 34379 1 339 . 1 1 28 28 PRO CA C 13 61.799 0.300 . 1 . . . . A 28 PRO CA . 34379 1 340 . 1 1 28 28 PRO CB C 13 32.854 0.300 . 1 . . . . A 28 PRO CB . 34379 1 341 . 1 1 28 28 PRO CG C 13 27.198 0.300 . 1 . . . . A 28 PRO CG . 34379 1 342 . 1 1 28 28 PRO CD C 13 50.991 0.300 . 1 . . . . A 28 PRO CD . 34379 1 343 . 1 1 29 29 VAL H H 1 8.248 0.020 . 1 . . . . A 29 VAL H . 34379 1 344 . 1 1 29 29 VAL HA H 1 4.226 0.020 . 1 . . . . A 29 VAL HA . 34379 1 345 . 1 1 29 29 VAL HB H 1 1.149 0.020 . 1 . . . . A 29 VAL HB . 34379 1 346 . 1 1 29 29 VAL HG11 H 1 0.519 0.020 . 2 . . . . A 29 VAL HG11 . 34379 1 347 . 1 1 29 29 VAL HG12 H 1 0.519 0.020 . 2 . . . . A 29 VAL HG12 . 34379 1 348 . 1 1 29 29 VAL HG13 H 1 0.519 0.020 . 2 . . . . A 29 VAL HG13 . 34379 1 349 . 1 1 29 29 VAL HG21 H 1 -0.083 0.020 . 2 . . . . A 29 VAL HG21 . 34379 1 350 . 1 1 29 29 VAL HG22 H 1 -0.083 0.020 . 2 . . . . A 29 VAL HG22 . 34379 1 351 . 1 1 29 29 VAL HG23 H 1 -0.083 0.020 . 2 . . . . A 29 VAL HG23 . 34379 1 352 . 1 1 29 29 VAL C C 13 174.930 0.300 . 1 . . . . A 29 VAL C . 34379 1 353 . 1 1 29 29 VAL CA C 13 60.217 0.300 . 1 . . . . A 29 VAL CA . 34379 1 354 . 1 1 29 29 VAL CB C 13 33.695 0.300 . 1 . . . . A 29 VAL CB . 34379 1 355 . 1 1 29 29 VAL CG1 C 13 21.390 0.300 . 1 . . . . A 29 VAL CG1 . 34379 1 356 . 1 1 29 29 VAL CG2 C 13 21.381 0.300 . 1 . . . . A 29 VAL CG2 . 34379 1 357 . 1 1 29 29 VAL N N 15 120.342 0.300 . 1 . . . . A 29 VAL N . 34379 1 358 . 1 1 30 30 TYR H H 1 9.308 0.020 . 1 . . . . A 30 TYR H . 34379 1 359 . 1 1 30 30 TYR HA H 1 4.627 0.020 . 1 . . . . A 30 TYR HA . 34379 1 360 . 1 1 30 30 TYR HB2 H 1 2.786 0.020 . 2 . . . . A 30 TYR HB2 . 34379 1 361 . 1 1 30 30 TYR HB3 H 1 2.898 0.020 . 2 . . . . A 30 TYR HB3 . 34379 1 362 . 1 1 30 30 TYR HD1 H 1 6.898 0.020 . 1 . . . . A 30 TYR HD1 . 34379 1 363 . 1 1 30 30 TYR HD2 H 1 6.898 0.020 . 1 . . . . A 30 TYR HD2 . 34379 1 364 . 1 1 30 30 TYR HE1 H 1 6.564 0.020 . 1 . . . . A 30 TYR HE1 . 34379 1 365 . 1 1 30 30 TYR HE2 H 1 6.564 0.020 . 1 . . . . A 30 TYR HE2 . 34379 1 366 . 1 1 30 30 TYR CA C 13 57.775 0.300 . 1 . . . . A 30 TYR CA . 34379 1 367 . 1 1 30 30 TYR CB C 13 38.721 0.300 . 1 . . . . A 30 TYR CB . 34379 1 368 . 1 1 30 30 TYR CD1 C 13 133.351 0.300 . 1 . . . . A 30 TYR CD1 . 34379 1 369 . 1 1 30 30 TYR CD2 C 13 133.350 0.300 . 1 . . . . A 30 TYR CD2 . 34379 1 370 . 1 1 30 30 TYR CE1 C 13 117.888 0.300 . 1 . . . . A 30 TYR CE1 . 34379 1 371 . 1 1 30 30 TYR CE2 C 13 117.888 0.300 . 1 . . . . A 30 TYR CE2 . 34379 1 372 . 1 1 30 30 TYR N N 15 127.534 0.300 . 1 . . . . A 30 TYR N . 34379 1 373 . 1 1 31 31 PRO HA H 1 4.495 0.020 . 1 . . . . A 31 PRO HA . 34379 1 374 . 1 1 31 31 PRO HB2 H 1 1.782 0.020 . 2 . . . . A 31 PRO HB2 . 34379 1 375 . 1 1 31 31 PRO HB3 H 1 2.629 0.020 . 2 . . . . A 31 PRO HB3 . 34379 1 376 . 1 1 31 31 PRO HG2 H 1 2.531 0.020 . 2 . . . . A 31 PRO HG2 . 34379 1 377 . 1 1 31 31 PRO HG3 H 1 1.806 0.020 . 2 . . . . A 31 PRO HG3 . 34379 1 378 . 1 1 31 31 PRO HD2 H 1 3.713 0.020 . 2 . . . . A 31 PRO HD2 . 34379 1 379 . 1 1 31 31 PRO HD3 H 1 4.545 0.020 . 2 . . . . A 31 PRO HD3 . 34379 1 380 . 1 1 31 31 PRO C C 13 174.470 0.300 . 1 . . . . A 31 PRO C . 34379 1 381 . 1 1 31 31 PRO CA C 13 64.098 0.300 . 1 . . . . A 31 PRO CA . 34379 1 382 . 1 1 31 31 PRO CB C 13 33.788 0.300 . 1 . . . . A 31 PRO CB . 34379 1 383 . 1 1 31 31 PRO CG C 13 30.214 0.300 . 1 . . . . A 31 PRO CG . 34379 1 384 . 1 1 31 31 PRO CD C 13 51.892 0.300 . 1 . . . . A 31 PRO CD . 34379 1 385 . 1 1 32 32 GLY H H 1 8.741 0.020 . 1 . . . . A 32 GLY H . 34379 1 386 . 1 1 32 32 GLY HA2 H 1 3.389 0.020 . 2 . . . . A 32 GLY HA2 . 34379 1 387 . 1 1 32 32 GLY HA3 H 1 4.247 0.020 . 2 . . . . A 32 GLY HA3 . 34379 1 388 . 1 1 32 32 GLY C C 13 172.720 0.300 . 1 . . . . A 32 GLY C . 34379 1 389 . 1 1 32 32 GLY CA C 13 44.801 0.300 . 1 . . . . A 32 GLY CA . 34379 1 390 . 1 1 32 32 GLY N N 15 107.034 0.300 . 1 . . . . A 32 GLY N . 34379 1 391 . 1 1 33 33 PRO HA H 1 4.016 0.020 . 1 . . . . A 33 PRO HA . 34379 1 392 . 1 1 33 33 PRO HB2 H 1 2.145 0.020 . 2 . . . . A 33 PRO HB2 . 34379 1 393 . 1 1 33 33 PRO HB3 H 1 2.439 0.020 . 2 . . . . A 33 PRO HB3 . 34379 1 394 . 1 1 33 33 PRO HG2 H 1 1.912 0.020 . 2 . . . . A 33 PRO HG2 . 34379 1 395 . 1 1 33 33 PRO HG3 H 1 2.022 0.020 . 2 . . . . A 33 PRO HG3 . 34379 1 396 . 1 1 33 33 PRO HD2 H 1 3.450 0.020 . 2 . . . . A 33 PRO HD2 . 34379 1 397 . 1 1 33 33 PRO HD3 H 1 3.606 0.020 . 2 . . . . A 33 PRO HD3 . 34379 1 398 . 1 1 33 33 PRO C C 13 176.030 0.300 . 1 . . . . A 33 PRO C . 34379 1 399 . 1 1 33 33 PRO CA C 13 61.738 0.300 . 1 . . . . A 33 PRO CA . 34379 1 400 . 1 1 33 33 PRO CB C 13 35.152 0.300 . 1 . . . . A 33 PRO CB . 34379 1 401 . 1 1 33 33 PRO CG C 13 24.168 0.300 . 1 . . . . A 33 PRO CG . 34379 1 402 . 1 1 33 33 PRO CD C 13 50.180 0.300 . 1 . . . . A 33 PRO CD . 34379 1 403 . 1 1 34 34 ALA H H 1 7.303 0.020 . 1 . . . . A 34 ALA H . 34379 1 404 . 1 1 34 34 ALA HA H 1 4.267 0.020 . 1 . . . . A 34 ALA HA . 34379 1 405 . 1 1 34 34 ALA HB1 H 1 1.089 0.020 . 1 . . . . A 34 ALA HB1 . 34379 1 406 . 1 1 34 34 ALA HB2 H 1 1.089 0.020 . 1 . . . . A 34 ALA HB2 . 34379 1 407 . 1 1 34 34 ALA HB3 H 1 1.089 0.020 . 1 . . . . A 34 ALA HB3 . 34379 1 408 . 1 1 34 34 ALA C C 13 176.520 0.300 . 1 . . . . A 34 ALA C . 34379 1 409 . 1 1 34 34 ALA CA C 13 51.557 0.300 . 1 . . . . A 34 ALA CA . 34379 1 410 . 1 1 34 34 ALA CB C 13 17.798 0.300 . 1 . . . . A 34 ALA CB . 34379 1 411 . 1 1 34 34 ALA N N 15 123.284 0.300 . 1 . . . . A 34 ALA N . 34379 1 412 . 1 1 35 35 THR H H 1 7.884 0.020 . 1 . . . . A 35 THR H . 34379 1 413 . 1 1 35 35 THR HA H 1 4.473 0.020 . 1 . . . . A 35 THR HA . 34379 1 414 . 1 1 35 35 THR HB H 1 4.564 0.020 . 1 . . . . A 35 THR HB . 34379 1 415 . 1 1 35 35 THR HG21 H 1 1.219 0.020 . 1 . . . . A 35 THR HG21 . 34379 1 416 . 1 1 35 35 THR HG22 H 1 1.219 0.020 . 1 . . . . A 35 THR HG22 . 34379 1 417 . 1 1 35 35 THR HG23 H 1 1.219 0.020 . 1 . . . . A 35 THR HG23 . 34379 1 418 . 1 1 35 35 THR CA C 13 59.524 0.300 . 1 . . . . A 35 THR CA . 34379 1 419 . 1 1 35 35 THR CB C 13 68.817 0.300 . 1 . . . . A 35 THR CB . 34379 1 420 . 1 1 35 35 THR CG2 C 13 22.792 0.300 . 1 . . . . A 35 THR CG2 . 34379 1 421 . 1 1 35 35 THR N N 15 113.991 0.300 . 1 . . . . A 35 THR N . 34379 1 422 . 1 1 36 36 PRO HA H 1 4.009 0.020 . 1 . . . . A 36 PRO HA . 34379 1 423 . 1 1 36 36 PRO HB2 H 1 1.911 0.020 . 2 . . . . A 36 PRO HB2 . 34379 1 424 . 1 1 36 36 PRO HB3 H 1 2.413 0.020 . 2 . . . . A 36 PRO HB3 . 34379 1 425 . 1 1 36 36 PRO HG2 H 1 2.238 0.020 . 2 . . . . A 36 PRO HG2 . 34379 1 426 . 1 1 36 36 PRO HG3 H 1 1.893 0.020 . 2 . . . . A 36 PRO HG3 . 34379 1 427 . 1 1 36 36 PRO HD2 H 1 3.885 0.020 . 2 . . . . A 36 PRO HD2 . 34379 1 428 . 1 1 36 36 PRO HD3 H 1 3.970 0.020 . 2 . . . . A 36 PRO HD3 . 34379 1 429 . 1 1 36 36 PRO C C 13 178.690 0.300 . 1 . . . . A 36 PRO C . 34379 1 430 . 1 1 36 36 PRO CA C 13 66.159 0.300 . 1 . . . . A 36 PRO CA . 34379 1 431 . 1 1 36 36 PRO CB C 13 31.863 0.300 . 1 . . . . A 36 PRO CB . 34379 1 432 . 1 1 36 36 PRO CG C 13 28.558 0.300 . 1 . . . . A 36 PRO CG . 34379 1 433 . 1 1 36 36 PRO CD C 13 50.865 0.300 . 1 . . . . A 36 PRO CD . 34379 1 434 . 1 1 37 37 GLU H H 1 8.293 0.020 . 1 . . . . A 37 GLU H . 34379 1 435 . 1 1 37 37 GLU HA H 1 3.961 0.020 . 1 . . . . A 37 GLU HA . 34379 1 436 . 1 1 37 37 GLU HB2 H 1 1.867 0.020 . 2 . . . . A 37 GLU HB2 . 34379 1 437 . 1 1 37 37 GLU HB3 H 1 1.998 0.020 . 2 . . . . A 37 GLU HB3 . 34379 1 438 . 1 1 37 37 GLU HG2 H 1 2.203 0.020 . 2 . . . . A 37 GLU HG2 . 34379 1 439 . 1 1 37 37 GLU HG3 H 1 2.294 0.020 . 2 . . . . A 37 GLU HG3 . 34379 1 440 . 1 1 37 37 GLU C C 13 178.900 0.300 . 1 . . . . A 37 GLU C . 34379 1 441 . 1 1 37 37 GLU CA C 13 59.903 0.300 . 1 . . . . A 37 GLU CA . 34379 1 442 . 1 1 37 37 GLU CB C 13 29.454 0.300 . 1 . . . . A 37 GLU CB . 34379 1 443 . 1 1 37 37 GLU CG C 13 37.037 0.300 . 1 . . . . A 37 GLU CG . 34379 1 444 . 1 1 37 37 GLU N N 15 114.736 0.300 . 1 . . . . A 37 GLU N . 34379 1 445 . 1 1 38 38 GLN H H 1 7.603 0.020 . 1 . . . . A 38 GLN H . 34379 1 446 . 1 1 38 38 GLN HA H 1 4.297 0.020 . 1 . . . . A 38 GLN HA . 34379 1 447 . 1 1 38 38 GLN HB2 H 1 2.117 0.020 . 2 . . . . A 38 GLN HB2 . 34379 1 448 . 1 1 38 38 GLN HB3 H 1 2.201 0.020 . 2 . . . . A 38 GLN HB3 . 34379 1 449 . 1 1 38 38 GLN HG2 H 1 2.361 0.020 . 2 . . . . A 38 GLN HG2 . 34379 1 450 . 1 1 38 38 GLN HG3 H 1 2.876 0.020 . 2 . . . . A 38 GLN HG3 . 34379 1 451 . 1 1 38 38 GLN HE21 H 1 7.657 0.020 . 1 . . . . A 38 GLN HE21 . 34379 1 452 . 1 1 38 38 GLN HE22 H 1 8.247 0.020 . 1 . . . . A 38 GLN HE22 . 34379 1 453 . 1 1 38 38 GLN C C 13 178.920 0.300 . 1 . . . . A 38 GLN C . 34379 1 454 . 1 1 38 38 GLN CA C 13 57.939 0.300 . 1 . . . . A 38 GLN CA . 34379 1 455 . 1 1 38 38 GLN CB C 13 29.338 0.300 . 1 . . . . A 38 GLN CB . 34379 1 456 . 1 1 38 38 GLN CG C 13 33.087 0.300 . 1 . . . . A 38 GLN CG . 34379 1 457 . 1 1 38 38 GLN N N 15 121.870 0.300 . 1 . . . . A 38 GLN N . 34379 1 458 . 1 1 38 38 GLN NE2 N 15 113.127 0.300 . 1 . . . . A 38 GLN NE2 . 34379 1 459 . 1 1 39 39 LEU H H 1 8.304 0.020 . 1 . . . . A 39 LEU H . 34379 1 460 . 1 1 39 39 LEU HA H 1 4.550 0.020 . 1 . . . . A 39 LEU HA . 34379 1 461 . 1 1 39 39 LEU HB2 H 1 0.667 0.020 . 2 . . . . A 39 LEU HB2 . 34379 1 462 . 1 1 39 39 LEU HB3 H 1 1.288 0.020 . 2 . . . . A 39 LEU HB3 . 34379 1 463 . 1 1 39 39 LEU HG H 1 1.087 0.020 . 1 . . . . A 39 LEU HG . 34379 1 464 . 1 1 39 39 LEU HD11 H 1 0.004 0.020 . 2 . . . . A 39 LEU HD11 . 34379 1 465 . 1 1 39 39 LEU HD12 H 1 0.004 0.020 . 2 . . . . A 39 LEU HD12 . 34379 1 466 . 1 1 39 39 LEU HD13 H 1 0.004 0.020 . 2 . . . . A 39 LEU HD13 . 34379 1 467 . 1 1 39 39 LEU HD21 H 1 0.443 0.020 . 2 . . . . A 39 LEU HD21 . 34379 1 468 . 1 1 39 39 LEU HD22 H 1 0.443 0.020 . 2 . . . . A 39 LEU HD22 . 34379 1 469 . 1 1 39 39 LEU HD23 H 1 0.443 0.020 . 2 . . . . A 39 LEU HD23 . 34379 1 470 . 1 1 39 39 LEU C C 13 178.720 0.300 . 1 . . . . A 39 LEU C . 34379 1 471 . 1 1 39 39 LEU CA C 13 56.001 0.300 . 1 . . . . A 39 LEU CA . 34379 1 472 . 1 1 39 39 LEU CB C 13 41.204 0.300 . 1 . . . . A 39 LEU CB . 34379 1 473 . 1 1 39 39 LEU CG C 13 27.240 0.300 . 1 . . . . A 39 LEU CG . 34379 1 474 . 1 1 39 39 LEU CD1 C 13 26.185 0.300 . 1 . . . . A 39 LEU CD1 . 34379 1 475 . 1 1 39 39 LEU CD2 C 13 23.159 0.300 . 1 . . . . A 39 LEU CD2 . 34379 1 476 . 1 1 39 39 LEU N N 15 118.230 0.300 . 1 . . . . A 39 LEU N . 34379 1 477 . 1 1 40 40 ASN H H 1 7.478 0.020 . 1 . . . . A 40 ASN H . 34379 1 478 . 1 1 40 40 ASN HA H 1 4.559 0.020 . 1 . . . . A 40 ASN HA . 34379 1 479 . 1 1 40 40 ASN HB2 H 1 2.868 0.020 . 2 . . . . A 40 ASN HB2 . 34379 1 480 . 1 1 40 40 ASN HB3 H 1 2.752 0.020 . 2 . . . . A 40 ASN HB3 . 34379 1 481 . 1 1 40 40 ASN HD21 H 1 7.620 0.020 . 1 . . . . A 40 ASN HD21 . 34379 1 482 . 1 1 40 40 ASN HD22 H 1 6.885 0.020 . 1 . . . . A 40 ASN HD22 . 34379 1 483 . 1 1 40 40 ASN C C 13 177.680 0.300 . 1 . . . . A 40 ASN C . 34379 1 484 . 1 1 40 40 ASN CA C 13 55.080 0.300 . 1 . . . . A 40 ASN CA . 34379 1 485 . 1 1 40 40 ASN CB C 13 38.605 0.300 . 1 . . . . A 40 ASN CB . 34379 1 486 . 1 1 40 40 ASN N N 15 115.721 0.300 . 1 . . . . A 40 ASN N . 34379 1 487 . 1 1 40 40 ASN ND2 N 15 112.548 0.300 . 1 . . . . A 40 ASN ND2 . 34379 1 488 . 1 1 41 41 ARG H H 1 7.672 0.020 . 1 . . . . A 41 ARG H . 34379 1 489 . 1 1 41 41 ARG HA H 1 3.916 0.020 . 1 . . . . A 41 ARG HA . 34379 1 490 . 1 1 41 41 ARG HB2 H 1 0.927 0.020 . 2 . . . . A 41 ARG HB2 . 34379 1 491 . 1 1 41 41 ARG HB3 H 1 1.411 0.020 . 2 . . . . A 41 ARG HB3 . 34379 1 492 . 1 1 41 41 ARG HG2 H 1 0.854 0.020 . 2 . . . . A 41 ARG HG2 . 34379 1 493 . 1 1 41 41 ARG HG3 H 1 1.329 0.020 . 2 . . . . A 41 ARG HG3 . 34379 1 494 . 1 1 41 41 ARG HD2 H 1 2.560 0.020 . 2 . . . . A 41 ARG HD2 . 34379 1 495 . 1 1 41 41 ARG HD3 H 1 2.745 0.020 . 2 . . . . A 41 ARG HD3 . 34379 1 496 . 1 1 41 41 ARG C C 13 176.820 0.300 . 1 . . . . A 41 ARG C . 34379 1 497 . 1 1 41 41 ARG CA C 13 58.226 0.300 . 1 . . . . A 41 ARG CA . 34379 1 498 . 1 1 41 41 ARG CB C 13 29.320 0.300 . 1 . . . . A 41 ARG CB . 34379 1 499 . 1 1 41 41 ARG CG C 13 27.311 0.300 . 1 . . . . A 41 ARG CG . 34379 1 500 . 1 1 41 41 ARG CD C 13 44.104 0.300 . 1 . . . . A 41 ARG CD . 34379 1 501 . 1 1 41 41 ARG N N 15 121.071 0.300 . 1 . . . . A 41 ARG N . 34379 1 502 . 1 1 42 42 GLY H H 1 7.786 0.020 . 1 . . . . A 42 GLY H . 34379 1 503 . 1 1 42 42 GLY HA2 H 1 4.073 0.020 . 2 . . . . A 42 GLY HA2 . 34379 1 504 . 1 1 42 42 GLY HA3 H 1 3.833 0.020 . 2 . . . . A 42 GLY HA3 . 34379 1 505 . 1 1 42 42 GLY C C 13 171.230 0.300 . 1 . . . . A 42 GLY C . 34379 1 506 . 1 1 42 42 GLY CA C 13 46.200 0.300 . 1 . . . . A 42 GLY CA . 34379 1 507 . 1 1 42 42 GLY N N 15 106.134 0.300 . 1 . . . . A 42 GLY N . 34379 1 508 . 1 1 43 43 VAL H H 1 8.375 0.020 . 1 . . . . A 43 VAL H . 34379 1 509 . 1 1 43 43 VAL HA H 1 3.653 0.020 . 1 . . . . A 43 VAL HA . 34379 1 510 . 1 1 43 43 VAL HB H 1 1.856 0.020 . 1 . . . . A 43 VAL HB . 34379 1 511 . 1 1 43 43 VAL HG11 H 1 0.139 0.020 . 2 . . . . A 43 VAL HG11 . 34379 1 512 . 1 1 43 43 VAL HG12 H 1 0.139 0.020 . 2 . . . . A 43 VAL HG12 . 34379 1 513 . 1 1 43 43 VAL HG13 H 1 0.139 0.020 . 2 . . . . A 43 VAL HG13 . 34379 1 514 . 1 1 43 43 VAL HG21 H 1 0.316 0.020 . 2 . . . . A 43 VAL HG21 . 34379 1 515 . 1 1 43 43 VAL HG22 H 1 0.316 0.020 . 2 . . . . A 43 VAL HG22 . 34379 1 516 . 1 1 43 43 VAL HG23 H 1 0.316 0.020 . 2 . . . . A 43 VAL HG23 . 34379 1 517 . 1 1 43 43 VAL C C 13 175.310 0.300 . 1 . . . . A 43 VAL C . 34379 1 518 . 1 1 43 43 VAL CA C 13 63.627 0.300 . 1 . . . . A 43 VAL CA . 34379 1 519 . 1 1 43 43 VAL CB C 13 30.274 0.300 . 1 . . . . A 43 VAL CB . 34379 1 520 . 1 1 43 43 VAL CG1 C 13 22.468 0.300 . 1 . . . . A 43 VAL CG1 . 34379 1 521 . 1 1 43 43 VAL CG2 C 13 21.283 0.300 . 1 . . . . A 43 VAL CG2 . 34379 1 522 . 1 1 43 43 VAL N N 15 117.532 0.300 . 1 . . . . A 43 VAL N . 34379 1 523 . 1 1 44 44 SER H H 1 8.001 0.020 . 1 . . . . A 44 SER H . 34379 1 524 . 1 1 44 44 SER HA H 1 5.469 0.020 . 1 . . . . A 44 SER HA . 34379 1 525 . 1 1 44 44 SER HB2 H 1 3.115 0.020 . 2 . . . . A 44 SER HB2 . 34379 1 526 . 1 1 44 44 SER HB3 H 1 3.555 0.020 . 2 . . . . A 44 SER HB3 . 34379 1 527 . 1 1 44 44 SER C C 13 173.830 0.300 . 1 . . . . A 44 SER C . 34379 1 528 . 1 1 44 44 SER CA C 13 57.723 0.300 . 1 . . . . A 44 SER CA . 34379 1 529 . 1 1 44 44 SER CB C 13 68.628 0.300 . 1 . . . . A 44 SER CB . 34379 1 530 . 1 1 44 44 SER N N 15 117.656 0.300 . 1 . . . . A 44 SER N . 34379 1 531 . 1 1 45 45 PHE H H 1 7.762 0.020 . 1 . . . . A 45 PHE H . 34379 1 532 . 1 1 45 45 PHE HA H 1 4.869 0.020 . 1 . . . . A 45 PHE HA . 34379 1 533 . 1 1 45 45 PHE HB2 H 1 2.850 0.020 . 2 . . . . A 45 PHE HB2 . 34379 1 534 . 1 1 45 45 PHE HB3 H 1 3.324 0.020 . 2 . . . . A 45 PHE HB3 . 34379 1 535 . 1 1 45 45 PHE HD1 H 1 7.372 0.020 . 1 . . . . A 45 PHE HD1 . 34379 1 536 . 1 1 45 45 PHE HD2 H 1 7.372 0.020 . 1 . . . . A 45 PHE HD2 . 34379 1 537 . 1 1 45 45 PHE HE1 H 1 6.860 0.020 . 1 . . . . A 45 PHE HE1 . 34379 1 538 . 1 1 45 45 PHE HE2 H 1 6.860 0.020 . 1 . . . . A 45 PHE HE2 . 34379 1 539 . 1 1 45 45 PHE HZ H 1 6.918 0.020 . 1 . . . . A 45 PHE HZ . 34379 1 540 . 1 1 45 45 PHE C C 13 175.380 0.300 . 1 . . . . A 45 PHE C . 34379 1 541 . 1 1 45 45 PHE CA C 13 59.397 0.300 . 1 . . . . A 45 PHE CA . 34379 1 542 . 1 1 45 45 PHE CB C 13 38.315 0.300 . 1 . . . . A 45 PHE CB . 34379 1 543 . 1 1 45 45 PHE CD1 C 13 133.018 0.300 . 1 . . . . A 45 PHE CD1 . 34379 1 544 . 1 1 45 45 PHE CD2 C 13 133.018 0.300 . 1 . . . . A 45 PHE CD2 . 34379 1 545 . 1 1 45 45 PHE CE1 C 13 130.502 0.300 . 1 . . . . A 45 PHE CE1 . 34379 1 546 . 1 1 45 45 PHE CE2 C 13 130.502 0.300 . 1 . . . . A 45 PHE CE2 . 34379 1 547 . 1 1 45 45 PHE CZ C 13 127.768 0.300 . 1 . . . . A 45 PHE CZ . 34379 1 548 . 1 1 45 45 PHE N N 15 120.334 0.300 . 1 . . . . A 45 PHE N . 34379 1 549 . 1 1 46 46 ALA H H 1 7.879 0.020 . 1 . . . . A 46 ALA H . 34379 1 550 . 1 1 46 46 ALA HA H 1 3.963 0.020 . 1 . . . . A 46 ALA HA . 34379 1 551 . 1 1 46 46 ALA HB1 H 1 1.366 0.020 . 1 . . . . A 46 ALA HB1 . 34379 1 552 . 1 1 46 46 ALA HB2 H 1 1.366 0.020 . 1 . . . . A 46 ALA HB2 . 34379 1 553 . 1 1 46 46 ALA HB3 H 1 1.366 0.020 . 1 . . . . A 46 ALA HB3 . 34379 1 554 . 1 1 46 46 ALA C C 13 179.960 0.300 . 1 . . . . A 46 ALA C . 34379 1 555 . 1 1 46 46 ALA CA C 13 55.685 0.300 . 1 . . . . A 46 ALA CA . 34379 1 556 . 1 1 46 46 ALA CB C 13 18.953 0.300 . 1 . . . . A 46 ALA CB . 34379 1 557 . 1 1 46 46 ALA N N 15 120.946 0.300 . 1 . . . . A 46 ALA N . 34379 1 558 . 1 1 47 47 GLU H H 1 9.079 0.020 . 1 . . . . A 47 GLU H . 34379 1 559 . 1 1 47 47 GLU HA H 1 4.659 0.020 . 1 . . . . A 47 GLU HA . 34379 1 560 . 1 1 47 47 GLU HB2 H 1 1.863 0.020 . 2 . . . . A 47 GLU HB2 . 34379 1 561 . 1 1 47 47 GLU HB3 H 1 2.306 0.020 . 2 . . . . A 47 GLU HB3 . 34379 1 562 . 1 1 47 47 GLU HG2 H 1 2.129 0.020 . 2 . . . . A 47 GLU HG2 . 34379 1 563 . 1 1 47 47 GLU HG3 H 1 2.066 0.020 . 2 . . . . A 47 GLU HG3 . 34379 1 564 . 1 1 47 47 GLU C C 13 176.610 0.300 . 1 . . . . A 47 GLU C . 34379 1 565 . 1 1 47 47 GLU CA C 13 54.672 0.300 . 1 . . . . A 47 GLU CA . 34379 1 566 . 1 1 47 47 GLU CB C 13 33.968 0.300 . 1 . . . . A 47 GLU CB . 34379 1 567 . 1 1 47 47 GLU CG C 13 37.720 0.300 . 1 . . . . A 47 GLU CG . 34379 1 568 . 1 1 47 47 GLU N N 15 115.288 0.300 . 1 . . . . A 47 GLU N . 34379 1 569 . 1 1 48 48 GLU H H 1 9.218 0.020 . 1 . . . . A 48 GLU H . 34379 1 570 . 1 1 48 48 GLU HA H 1 3.582 0.020 . 1 . . . . A 48 GLU HA . 34379 1 571 . 1 1 48 48 GLU HB2 H 1 1.950 0.020 . 2 . . . . A 48 GLU HB2 . 34379 1 572 . 1 1 48 48 GLU HB3 H 1 1.902 0.020 . 2 . . . . A 48 GLU HB3 . 34379 1 573 . 1 1 48 48 GLU HG2 H 1 2.148 0.020 . 2 . . . . A 48 GLU HG2 . 34379 1 574 . 1 1 48 48 GLU HG3 H 1 2.278 0.020 . 2 . . . . A 48 GLU HG3 . 34379 1 575 . 1 1 48 48 GLU C C 13 176.260 0.300 . 1 . . . . A 48 GLU C . 34379 1 576 . 1 1 48 48 GLU CA C 13 58.829 0.300 . 1 . . . . A 48 GLU CA . 34379 1 577 . 1 1 48 48 GLU CB C 13 30.518 0.300 . 1 . . . . A 48 GLU CB . 34379 1 578 . 1 1 48 48 GLU CG C 13 36.050 0.300 . 1 . . . . A 48 GLU CG . 34379 1 579 . 1 1 48 48 GLU N N 15 122.995 0.300 . 1 . . . . A 48 GLU N . 34379 1 580 . 1 1 49 49 ASN H H 1 8.280 0.020 . 1 . . . . A 49 ASN H . 34379 1 581 . 1 1 49 49 ASN HA H 1 4.780 0.020 . 1 . . . . A 49 ASN HA . 34379 1 582 . 1 1 49 49 ASN HB2 H 1 2.795 0.020 . 1 . . . . A 49 ASN HB2 . 34379 1 583 . 1 1 49 49 ASN HB3 H 1 2.795 0.020 . 1 . . . . A 49 ASN HB3 . 34379 1 584 . 1 1 49 49 ASN HD21 H 1 6.865 0.020 . 1 . . . . A 49 ASN HD21 . 34379 1 585 . 1 1 49 49 ASN HD22 H 1 7.528 0.020 . 1 . . . . A 49 ASN HD22 . 34379 1 586 . 1 1 49 49 ASN C C 13 174.530 0.300 . 1 . . . . A 49 ASN C . 34379 1 587 . 1 1 49 49 ASN CA C 13 52.428 0.300 . 1 . . . . A 49 ASN CA . 34379 1 588 . 1 1 49 49 ASN CB C 13 37.280 0.300 . 1 . . . . A 49 ASN CB . 34379 1 589 . 1 1 49 49 ASN N N 15 114.159 0.300 . 1 . . . . A 49 ASN N . 34379 1 590 . 1 1 49 49 ASN ND2 N 15 112.420 0.300 . 1 . . . . A 49 ASN ND2 . 34379 1 591 . 1 1 50 50 GLU H H 1 6.562 0.020 . 1 . . . . A 50 GLU H . 34379 1 592 . 1 1 50 50 GLU HA H 1 4.234 0.020 . 1 . . . . A 50 GLU HA . 34379 1 593 . 1 1 50 50 GLU HB2 H 1 2.278 0.020 . 2 . . . . A 50 GLU HB2 . 34379 1 594 . 1 1 50 50 GLU HB3 H 1 1.408 0.020 . 2 . . . . A 50 GLU HB3 . 34379 1 595 . 1 1 50 50 GLU HG2 H 1 2.110 0.020 . 2 . . . . A 50 GLU HG2 . 34379 1 596 . 1 1 50 50 GLU HG3 H 1 1.613 0.020 . 2 . . . . A 50 GLU HG3 . 34379 1 597 . 1 1 50 50 GLU C C 13 173.650 0.300 . 1 . . . . A 50 GLU C . 34379 1 598 . 1 1 50 50 GLU CA C 13 55.681 0.300 . 1 . . . . A 50 GLU CA . 34379 1 599 . 1 1 50 50 GLU CB C 13 29.572 0.300 . 1 . . . . A 50 GLU CB . 34379 1 600 . 1 1 50 50 GLU CG C 13 36.452 0.300 . 1 . . . . A 50 GLU CG . 34379 1 601 . 1 1 50 50 GLU N N 15 120.316 0.300 . 1 . . . . A 50 GLU N . 34379 1 602 . 1 1 51 51 SER H H 1 9.655 0.020 . 1 . . . . A 51 SER H . 34379 1 603 . 1 1 51 51 SER HA H 1 4.720 0.020 . 1 . . . . A 51 SER HA . 34379 1 604 . 1 1 51 51 SER HB2 H 1 3.610 0.020 . 2 . . . . A 51 SER HB2 . 34379 1 605 . 1 1 51 51 SER HB3 H 1 3.763 0.020 . 2 . . . . A 51 SER HB3 . 34379 1 606 . 1 1 51 51 SER C C 13 174.920 0.300 . 1 . . . . A 51 SER C . 34379 1 607 . 1 1 51 51 SER CA C 13 55.905 0.300 . 1 . . . . A 51 SER CA . 34379 1 608 . 1 1 51 51 SER CB C 13 65.790 0.300 . 1 . . . . A 51 SER CB . 34379 1 609 . 1 1 51 51 SER N N 15 120.340 0.300 . 1 . . . . A 51 SER N . 34379 1 610 . 1 1 52 52 LEU H H 1 8.763 0.020 . 1 . . . . A 52 LEU H . 34379 1 611 . 1 1 52 52 LEU HA H 1 4.294 0.020 . 1 . . . . A 52 LEU HA . 34379 1 612 . 1 1 52 52 LEU HB2 H 1 1.509 0.020 . 2 . . . . A 52 LEU HB2 . 34379 1 613 . 1 1 52 52 LEU HB3 H 1 1.830 0.020 . 2 . . . . A 52 LEU HB3 . 34379 1 614 . 1 1 52 52 LEU HG H 1 1.663 0.020 . 1 . . . . A 52 LEU HG . 34379 1 615 . 1 1 52 52 LEU HD11 H 1 0.819 0.020 . 2 . . . . A 52 LEU HD11 . 34379 1 616 . 1 1 52 52 LEU HD12 H 1 0.819 0.020 . 2 . . . . A 52 LEU HD12 . 34379 1 617 . 1 1 52 52 LEU HD13 H 1 0.819 0.020 . 2 . . . . A 52 LEU HD13 . 34379 1 618 . 1 1 52 52 LEU HD21 H 1 0.697 0.020 . 2 . . . . A 52 LEU HD21 . 34379 1 619 . 1 1 52 52 LEU HD22 H 1 0.697 0.020 . 2 . . . . A 52 LEU HD22 . 34379 1 620 . 1 1 52 52 LEU HD23 H 1 0.697 0.020 . 2 . . . . A 52 LEU HD23 . 34379 1 621 . 1 1 52 52 LEU C C 13 177.180 0.300 . 1 . . . . A 52 LEU C . 34379 1 622 . 1 1 52 52 LEU CA C 13 56.032 0.300 . 1 . . . . A 52 LEU CA . 34379 1 623 . 1 1 52 52 LEU CB C 13 40.204 0.300 . 1 . . . . A 52 LEU CB . 34379 1 624 . 1 1 52 52 LEU CG C 13 27.085 0.300 . 1 . . . . A 52 LEU CG . 34379 1 625 . 1 1 52 52 LEU CD1 C 13 22.890 0.300 . 1 . . . . A 52 LEU CD1 . 34379 1 626 . 1 1 52 52 LEU CD2 C 13 25.898 0.300 . 1 . . . . A 52 LEU CD2 . 34379 1 627 . 1 1 52 52 LEU N N 15 123.428 0.300 . 1 . . . . A 52 LEU N . 34379 1 628 . 1 1 53 53 ASP H H 1 8.256 0.020 . 1 . . . . A 53 ASP H . 34379 1 629 . 1 1 53 53 ASP HA H 1 4.856 0.020 . 1 . . . . A 53 ASP HA . 34379 1 630 . 1 1 53 53 ASP HB2 H 1 2.849 0.020 . 2 . . . . A 53 ASP HB2 . 34379 1 631 . 1 1 53 53 ASP HB3 H 1 2.436 0.020 . 2 . . . . A 53 ASP HB3 . 34379 1 632 . 1 1 53 53 ASP C C 13 176.010 0.300 . 1 . . . . A 53 ASP C . 34379 1 633 . 1 1 53 53 ASP CA C 13 54.399 0.300 . 1 . . . . A 53 ASP CA . 34379 1 634 . 1 1 53 53 ASP CB C 13 42.197 0.300 . 1 . . . . A 53 ASP CB . 34379 1 635 . 1 1 53 53 ASP N N 15 118.999 0.300 . 1 . . . . A 53 ASP N . 34379 1 636 . 1 1 54 54 ASP H H 1 7.318 0.020 . 1 . . . . A 54 ASP H . 34379 1 637 . 1 1 54 54 ASP HA H 1 4.365 0.020 . 1 . . . . A 54 ASP HA . 34379 1 638 . 1 1 54 54 ASP HB2 H 1 2.846 0.020 . 2 . . . . A 54 ASP HB2 . 34379 1 639 . 1 1 54 54 ASP HB3 H 1 3.013 0.020 . 2 . . . . A 54 ASP HB3 . 34379 1 640 . 1 1 54 54 ASP C C 13 176.670 0.300 . 1 . . . . A 54 ASP C . 34379 1 641 . 1 1 54 54 ASP CA C 13 55.473 0.300 . 1 . . . . A 54 ASP CA . 34379 1 642 . 1 1 54 54 ASP CB C 13 40.602 0.300 . 1 . . . . A 54 ASP CB . 34379 1 643 . 1 1 54 54 ASP N N 15 122.815 0.300 . 1 . . . . A 54 ASP N . 34379 1 644 . 1 1 55 55 GLN HA H 1 3.968 0.020 . 1 . . . . A 55 GLN HA . 34379 1 645 . 1 1 55 55 GLN HB2 H 1 2.246 0.020 . 2 . . . . A 55 GLN HB2 . 34379 1 646 . 1 1 55 55 GLN HB3 H 1 1.930 0.020 . 2 . . . . A 55 GLN HB3 . 34379 1 647 . 1 1 55 55 GLN HG2 H 1 2.582 0.020 . 2 . . . . A 55 GLN HG2 . 34379 1 648 . 1 1 55 55 GLN HG3 H 1 2.140 0.020 . 2 . . . . A 55 GLN HG3 . 34379 1 649 . 1 1 55 55 GLN HE21 H 1 6.082 0.020 . 1 . . . . A 55 GLN HE21 . 34379 1 650 . 1 1 55 55 GLN HE22 H 1 7.412 0.020 . 1 . . . . A 55 GLN HE22 . 34379 1 651 . 1 1 55 55 GLN C C 13 175.280 0.300 . 1 . . . . A 55 GLN C . 34379 1 652 . 1 1 55 55 GLN CA C 13 59.771 0.300 . 1 . . . . A 55 GLN CA . 34379 1 653 . 1 1 55 55 GLN CB C 13 26.515 0.300 . 1 . . . . A 55 GLN CB . 34379 1 654 . 1 1 55 55 GLN CG C 13 34.279 0.300 . 1 . . . . A 55 GLN CG . 34379 1 655 . 1 1 55 55 GLN N N 15 115.127 0.300 . 1 . . . . A 55 GLN N . 34379 1 656 . 1 1 55 55 GLN NE2 N 15 110.091 0.300 . 1 . . . . A 55 GLN NE2 . 34379 1 657 . 1 1 56 56 ASN H H 1 9.256 0.020 . 1 . . . . A 56 ASN H . 34379 1 658 . 1 1 56 56 ASN HA H 1 5.051 0.020 . 1 . . . . A 56 ASN HA . 34379 1 659 . 1 1 56 56 ASN HB2 H 1 2.831 0.020 . 2 . . . . A 56 ASN HB2 . 34379 1 660 . 1 1 56 56 ASN HB3 H 1 2.882 0.020 . 2 . . . . A 56 ASN HB3 . 34379 1 661 . 1 1 56 56 ASN HD21 H 1 6.318 0.020 . 1 . . . . A 56 ASN HD21 . 34379 1 662 . 1 1 56 56 ASN HD22 H 1 6.900 0.020 . 1 . . . . A 56 ASN HD22 . 34379 1 663 . 1 1 56 56 ASN C C 13 175.060 0.300 . 1 . . . . A 56 ASN C . 34379 1 664 . 1 1 56 56 ASN CA C 13 51.042 0.300 . 1 . . . . A 56 ASN CA . 34379 1 665 . 1 1 56 56 ASN CB C 13 38.390 0.300 . 1 . . . . A 56 ASN CB . 34379 1 666 . 1 1 56 56 ASN N N 15 115.073 0.300 . 1 . . . . A 56 ASN N . 34379 1 667 . 1 1 56 56 ASN ND2 N 15 107.614 0.300 . 1 . . . . A 56 ASN ND2 . 34379 1 668 . 1 1 57 57 ILE H H 1 8.155 0.020 . 1 . . . . A 57 ILE H . 34379 1 669 . 1 1 57 57 ILE HA H 1 4.266 0.020 . 1 . . . . A 57 ILE HA . 34379 1 670 . 1 1 57 57 ILE HB H 1 1.698 0.020 . 1 . . . . A 57 ILE HB . 34379 1 671 . 1 1 57 57 ILE HG12 H 1 1.099 0.020 . 2 . . . . A 57 ILE HG12 . 34379 1 672 . 1 1 57 57 ILE HG13 H 1 1.602 0.020 . 2 . . . . A 57 ILE HG13 . 34379 1 673 . 1 1 57 57 ILE HG21 H 1 0.682 0.020 . 1 . . . . A 57 ILE HG21 . 34379 1 674 . 1 1 57 57 ILE HG22 H 1 0.682 0.020 . 1 . . . . A 57 ILE HG22 . 34379 1 675 . 1 1 57 57 ILE HG23 H 1 0.682 0.020 . 1 . . . . A 57 ILE HG23 . 34379 1 676 . 1 1 57 57 ILE HD11 H 1 0.946 0.020 . 1 . . . . A 57 ILE HD11 . 34379 1 677 . 1 1 57 57 ILE HD12 H 1 0.946 0.020 . 1 . . . . A 57 ILE HD12 . 34379 1 678 . 1 1 57 57 ILE HD13 H 1 0.946 0.020 . 1 . . . . A 57 ILE HD13 . 34379 1 679 . 1 1 57 57 ILE C C 13 174.360 0.300 . 1 . . . . A 57 ILE C . 34379 1 680 . 1 1 57 57 ILE CA C 13 61.173 0.300 . 1 . . . . A 57 ILE CA . 34379 1 681 . 1 1 57 57 ILE CB C 13 38.984 0.300 . 1 . . . . A 57 ILE CB . 34379 1 682 . 1 1 57 57 ILE CG1 C 13 27.643 0.300 . 1 . . . . A 57 ILE CG1 . 34379 1 683 . 1 1 57 57 ILE CG2 C 13 17.817 0.300 . 1 . . . . A 57 ILE CG2 . 34379 1 684 . 1 1 57 57 ILE CD1 C 13 14.998 0.300 . 1 . . . . A 57 ILE CD1 . 34379 1 685 . 1 1 57 57 ILE N N 15 133.049 0.300 . 1 . . . . A 57 ILE N . 34379 1 686 . 1 1 58 58 SER H H 1 8.413 0.020 . 1 . . . . A 58 SER H . 34379 1 687 . 1 1 58 58 SER HA H 1 5.830 0.020 . 1 . . . . A 58 SER HA . 34379 1 688 . 1 1 58 58 SER HB2 H 1 4.049 0.020 . 2 . . . . A 58 SER HB2 . 34379 1 689 . 1 1 58 58 SER HB3 H 1 3.426 0.020 . 2 . . . . A 58 SER HB3 . 34379 1 690 . 1 1 58 58 SER C C 13 174.820 0.300 . 1 . . . . A 58 SER C . 34379 1 691 . 1 1 58 58 SER CA C 13 57.750 0.300 . 1 . . . . A 58 SER CA . 34379 1 692 . 1 1 58 58 SER CB C 13 64.332 0.300 . 1 . . . . A 58 SER CB . 34379 1 693 . 1 1 58 58 SER N N 15 123.741 0.300 . 1 . . . . A 58 SER N . 34379 1 694 . 1 1 59 59 ILE H H 1 9.390 0.020 . 1 . . . . A 59 ILE H . 34379 1 695 . 1 1 59 59 ILE HA H 1 4.287 0.020 . 1 . . . . A 59 ILE HA . 34379 1 696 . 1 1 59 59 ILE HB H 1 1.433 0.020 . 1 . . . . A 59 ILE HB . 34379 1 697 . 1 1 59 59 ILE HG12 H 1 0.480 0.020 . 2 . . . . A 59 ILE HG12 . 34379 1 698 . 1 1 59 59 ILE HG13 H 1 1.356 0.020 . 2 . . . . A 59 ILE HG13 . 34379 1 699 . 1 1 59 59 ILE HG21 H 1 0.469 0.020 . 1 . . . . A 59 ILE HG21 . 34379 1 700 . 1 1 59 59 ILE HG22 H 1 0.469 0.020 . 1 . . . . A 59 ILE HG22 . 34379 1 701 . 1 1 59 59 ILE HG23 H 1 0.469 0.020 . 1 . . . . A 59 ILE HG23 . 34379 1 702 . 1 1 59 59 ILE HD11 H 1 0.187 0.020 . 1 . . . . A 59 ILE HD11 . 34379 1 703 . 1 1 59 59 ILE HD12 H 1 0.187 0.020 . 1 . . . . A 59 ILE HD12 . 34379 1 704 . 1 1 59 59 ILE HD13 H 1 0.187 0.020 . 1 . . . . A 59 ILE HD13 . 34379 1 705 . 1 1 59 59 ILE C C 13 172.420 0.300 . 1 . . . . A 59 ILE C . 34379 1 706 . 1 1 59 59 ILE CA C 13 61.458 0.300 . 1 . . . . A 59 ILE CA . 34379 1 707 . 1 1 59 59 ILE CB C 13 42.366 0.300 . 1 . . . . A 59 ILE CB . 34379 1 708 . 1 1 59 59 ILE CG1 C 13 27.927 0.300 . 1 . . . . A 59 ILE CG1 . 34379 1 709 . 1 1 59 59 ILE CG2 C 13 18.850 0.300 . 1 . . . . A 59 ILE CG2 . 34379 1 710 . 1 1 59 59 ILE CD1 C 13 14.335 0.300 . 1 . . . . A 59 ILE CD1 . 34379 1 711 . 1 1 59 59 ILE N N 15 127.271 0.300 . 1 . . . . A 59 ILE N . 34379 1 712 . 1 1 60 60 ALA H H 1 9.305 0.020 . 1 . . . . A 60 ALA H . 34379 1 713 . 1 1 60 60 ALA HA H 1 5.696 0.020 . 1 . . . . A 60 ALA HA . 34379 1 714 . 1 1 60 60 ALA HB1 H 1 1.154 0.020 . 1 . . . . A 60 ALA HB1 . 34379 1 715 . 1 1 60 60 ALA HB2 H 1 1.154 0.020 . 1 . . . . A 60 ALA HB2 . 34379 1 716 . 1 1 60 60 ALA HB3 H 1 1.154 0.020 . 1 . . . . A 60 ALA HB3 . 34379 1 717 . 1 1 60 60 ALA C C 13 174.470 0.300 . 1 . . . . A 60 ALA C . 34379 1 718 . 1 1 60 60 ALA CA C 13 49.887 0.300 . 1 . . . . A 60 ALA CA . 34379 1 719 . 1 1 60 60 ALA CB C 13 23.863 0.300 . 1 . . . . A 60 ALA CB . 34379 1 720 . 1 1 60 60 ALA N N 15 130.013 0.300 . 1 . . . . A 60 ALA N . 34379 1 721 . 1 1 61 61 GLY H H 1 7.898 0.020 . 1 . . . . A 61 GLY H . 34379 1 722 . 1 1 61 61 GLY HA2 H 1 2.569 0.020 . 2 . . . . A 61 GLY HA2 . 34379 1 723 . 1 1 61 61 GLY HA3 H 1 4.006 0.020 . 2 . . . . A 61 GLY HA3 . 34379 1 724 . 1 1 61 61 GLY C C 13 171.770 0.300 . 1 . . . . A 61 GLY C . 34379 1 725 . 1 1 61 61 GLY CA C 13 44.591 0.300 . 1 . . . . A 61 GLY CA . 34379 1 726 . 1 1 61 61 GLY N N 15 102.329 0.300 . 1 . . . . A 61 GLY N . 34379 1 727 . 1 1 62 62 HIS H H 1 9.134 0.020 . 1 . . . . A 62 HIS H . 34379 1 728 . 1 1 62 62 HIS HA H 1 4.417 0.020 . 1 . . . . A 62 HIS HA . 34379 1 729 . 1 1 62 62 HIS HB2 H 1 2.235 0.020 . 2 . . . . A 62 HIS HB2 . 34379 1 730 . 1 1 62 62 HIS HB3 H 1 2.444 0.020 . 2 . . . . A 62 HIS HB3 . 34379 1 731 . 1 1 62 62 HIS HD2 H 1 7.114 0.020 . 1 . . . . A 62 HIS HD2 . 34379 1 732 . 1 1 62 62 HIS C C 13 175.030 0.300 . 1 . . . . A 62 HIS C . 34379 1 733 . 1 1 62 62 HIS CA C 13 56.466 0.300 . 1 . . . . A 62 HIS CA . 34379 1 734 . 1 1 62 62 HIS CD2 C 13 122.155 0.300 . 1 . . . . A 62 HIS CD2 . 34379 1 735 . 1 1 62 62 HIS N N 15 120.919 0.300 . 1 . . . . A 62 HIS N . 34379 1 736 . 1 1 63 63 THR H H 1 8.163 0.020 . 1 . . . . A 63 THR H . 34379 1 737 . 1 1 63 63 THR HA H 1 4.708 0.020 . 1 . . . . A 63 THR HA . 34379 1 738 . 1 1 63 63 THR HG21 H 1 1.288 0.020 . 1 . . . . A 63 THR HG21 . 34379 1 739 . 1 1 63 63 THR HG22 H 1 1.288 0.020 . 1 . . . . A 63 THR HG22 . 34379 1 740 . 1 1 63 63 THR HG23 H 1 1.288 0.020 . 1 . . . . A 63 THR HG23 . 34379 1 741 . 1 1 63 63 THR C C 13 172.790 0.300 . 1 . . . . A 63 THR C . 34379 1 742 . 1 1 63 63 THR CA C 13 61.551 0.300 . 1 . . . . A 63 THR CA . 34379 1 743 . 1 1 63 63 THR CB C 13 68.423 0.300 . 1 . . . . A 63 THR CB . 34379 1 744 . 1 1 63 63 THR CG2 C 13 21.982 0.300 . 1 . . . . A 63 THR CG2 . 34379 1 745 . 1 1 64 64 PHE H H 1 8.889 0.020 . 1 . . . . A 64 PHE H . 34379 1 746 . 1 1 64 64 PHE HA H 1 5.226 0.020 . 1 . . . . A 64 PHE HA . 34379 1 747 . 1 1 64 64 PHE HB2 H 1 2.957 0.020 . 2 . . . . A 64 PHE HB2 . 34379 1 748 . 1 1 64 64 PHE HB3 H 1 3.222 0.020 . 2 . . . . A 64 PHE HB3 . 34379 1 749 . 1 1 64 64 PHE HD1 H 1 7.129 0.020 . 1 . . . . A 64 PHE HD1 . 34379 1 750 . 1 1 64 64 PHE HD2 H 1 7.129 0.020 . 1 . . . . A 64 PHE HD2 . 34379 1 751 . 1 1 64 64 PHE HE1 H 1 6.980 0.020 . 1 . . . . A 64 PHE HE1 . 34379 1 752 . 1 1 64 64 PHE HE2 H 1 6.980 0.020 . 1 . . . . A 64 PHE HE2 . 34379 1 753 . 1 1 64 64 PHE HZ H 1 6.745 0.020 . 1 . . . . A 64 PHE HZ . 34379 1 754 . 1 1 64 64 PHE C C 13 175.960 0.300 . 1 . . . . A 64 PHE C . 34379 1 755 . 1 1 64 64 PHE CA C 13 54.791 0.300 . 1 . . . . A 64 PHE CA . 34379 1 756 . 1 1 64 64 PHE CB C 13 41.862 0.300 . 1 . . . . A 64 PHE CB . 34379 1 757 . 1 1 64 64 PHE CD1 C 13 131.303 0.300 . 1 . . . . A 64 PHE CD1 . 34379 1 758 . 1 1 64 64 PHE CD2 C 13 131.303 0.300 . 1 . . . . A 64 PHE CD2 . 34379 1 759 . 1 1 64 64 PHE CE1 C 13 131.670 0.300 . 1 . . . . A 64 PHE CE1 . 34379 1 760 . 1 1 64 64 PHE CE2 C 13 131.670 0.300 . 1 . . . . A 64 PHE CE2 . 34379 1 761 . 1 1 64 64 PHE CZ C 13 128.912 0.300 . 1 . . . . A 64 PHE CZ . 34379 1 762 . 1 1 64 64 PHE N N 15 126.658 0.300 . 1 . . . . A 64 PHE N . 34379 1 763 . 1 1 65 65 ILE H H 1 8.739 0.020 . 1 . . . . A 65 ILE H . 34379 1 764 . 1 1 65 65 ILE HA H 1 3.976 0.020 . 1 . . . . A 65 ILE HA . 34379 1 765 . 1 1 65 65 ILE HB H 1 1.881 0.020 . 1 . . . . A 65 ILE HB . 34379 1 766 . 1 1 65 65 ILE HG12 H 1 1.457 0.020 . 2 . . . . A 65 ILE HG12 . 34379 1 767 . 1 1 65 65 ILE HG13 H 1 1.276 0.020 . 2 . . . . A 65 ILE HG13 . 34379 1 768 . 1 1 65 65 ILE HG21 H 1 0.946 0.020 . 1 . . . . A 65 ILE HG21 . 34379 1 769 . 1 1 65 65 ILE HG22 H 1 0.946 0.020 . 1 . . . . A 65 ILE HG22 . 34379 1 770 . 1 1 65 65 ILE HG23 H 1 0.946 0.020 . 1 . . . . A 65 ILE HG23 . 34379 1 771 . 1 1 65 65 ILE HD11 H 1 0.828 0.020 . 1 . . . . A 65 ILE HD11 . 34379 1 772 . 1 1 65 65 ILE HD12 H 1 0.828 0.020 . 1 . . . . A 65 ILE HD12 . 34379 1 773 . 1 1 65 65 ILE HD13 H 1 0.828 0.020 . 1 . . . . A 65 ILE HD13 . 34379 1 774 . 1 1 65 65 ILE C C 13 176.130 0.300 . 1 . . . . A 65 ILE C . 34379 1 775 . 1 1 65 65 ILE CA C 13 63.468 0.300 . 1 . . . . A 65 ILE CA . 34379 1 776 . 1 1 65 65 ILE CB C 13 38.616 0.300 . 1 . . . . A 65 ILE CB . 34379 1 777 . 1 1 65 65 ILE CG1 C 13 27.923 0.300 . 1 . . . . A 65 ILE CG1 . 34379 1 778 . 1 1 65 65 ILE CG2 C 13 17.821 0.300 . 1 . . . . A 65 ILE CG2 . 34379 1 779 . 1 1 65 65 ILE CD1 C 13 13.543 0.300 . 1 . . . . A 65 ILE CD1 . 34379 1 780 . 1 1 65 65 ILE N N 15 121.248 0.300 . 1 . . . . A 65 ILE N . 34379 1 781 . 1 1 66 66 ASP H H 1 8.493 0.020 . 1 . . . . A 66 ASP H . 34379 1 782 . 1 1 66 66 ASP HA H 1 4.596 0.020 . 1 . . . . A 66 ASP HA . 34379 1 783 . 1 1 66 66 ASP HB2 H 1 2.649 0.020 . 2 . . . . A 66 ASP HB2 . 34379 1 784 . 1 1 66 66 ASP HB3 H 1 2.741 0.020 . 2 . . . . A 66 ASP HB3 . 34379 1 785 . 1 1 66 66 ASP C C 13 175.730 0.300 . 1 . . . . A 66 ASP C . 34379 1 786 . 1 1 66 66 ASP CA C 13 54.174 0.300 . 1 . . . . A 66 ASP CA . 34379 1 787 . 1 1 66 66 ASP CB C 13 40.589 0.300 . 1 . . . . A 66 ASP CB . 34379 1 788 . 1 1 66 66 ASP N N 15 117.119 0.300 . 1 . . . . A 66 ASP N . 34379 1 789 . 1 1 67 67 ARG H H 1 7.739 0.020 . 1 . . . . A 67 ARG H . 34379 1 790 . 1 1 67 67 ARG HA H 1 4.846 0.020 . 1 . . . . A 67 ARG HA . 34379 1 791 . 1 1 67 67 ARG HB2 H 1 1.767 0.020 . 2 . . . . A 67 ARG HB2 . 34379 1 792 . 1 1 67 67 ARG HB3 H 1 1.840 0.020 . 2 . . . . A 67 ARG HB3 . 34379 1 793 . 1 1 67 67 ARG HG2 H 1 1.470 0.020 . 1 . . . . A 67 ARG HG2 . 34379 1 794 . 1 1 67 67 ARG HG3 H 1 1.470 0.020 . 1 . . . . A 67 ARG HG3 . 34379 1 795 . 1 1 67 67 ARG HD2 H 1 2.638 0.020 . 1 . . . . A 67 ARG HD2 . 34379 1 796 . 1 1 67 67 ARG HD3 H 1 2.638 0.020 . 1 . . . . A 67 ARG HD3 . 34379 1 797 . 1 1 67 67 ARG C C 13 172.710 0.300 . 1 . . . . A 67 ARG C . 34379 1 798 . 1 1 67 67 ARG CA C 13 53.630 0.300 . 1 . . . . A 67 ARG CA . 34379 1 799 . 1 1 67 67 ARG CB C 13 32.417 0.300 . 1 . . . . A 67 ARG CB . 34379 1 800 . 1 1 67 67 ARG CG C 13 25.900 0.300 . 1 . . . . A 67 ARG CG . 34379 1 801 . 1 1 67 67 ARG CD C 13 44.109 0.300 . 1 . . . . A 67 ARG CD . 34379 1 802 . 1 1 67 67 ARG N N 15 119.713 0.300 . 1 . . . . A 67 ARG N . 34379 1 803 . 1 1 68 68 PRO HA H 1 4.322 0.020 . 1 . . . . A 68 PRO HA . 34379 1 804 . 1 1 68 68 PRO HB2 H 1 1.870 0.020 . 2 . . . . A 68 PRO HB2 . 34379 1 805 . 1 1 68 68 PRO HB3 H 1 2.326 0.020 . 2 . . . . A 68 PRO HB3 . 34379 1 806 . 1 1 68 68 PRO HG2 H 1 1.980 0.020 . 1 . . . . A 68 PRO HG2 . 34379 1 807 . 1 1 68 68 PRO HG3 H 1 1.980 0.020 . 1 . . . . A 68 PRO HG3 . 34379 1 808 . 1 1 68 68 PRO HD2 H 1 3.500 0.020 . 2 . . . . A 68 PRO HD2 . 34379 1 809 . 1 1 68 68 PRO HD3 H 1 3.681 0.020 . 2 . . . . A 68 PRO HD3 . 34379 1 810 . 1 1 68 68 PRO C C 13 176.880 0.300 . 1 . . . . A 68 PRO C . 34379 1 811 . 1 1 68 68 PRO CA C 13 64.619 0.300 . 1 . . . . A 68 PRO CA . 34379 1 812 . 1 1 68 68 PRO CB C 13 32.588 0.300 . 1 . . . . A 68 PRO CB . 34379 1 813 . 1 1 68 68 PRO CG C 13 27.325 0.300 . 1 . . . . A 68 PRO CG . 34379 1 814 . 1 1 68 68 PRO CD C 13 50.450 0.300 . 1 . . . . A 68 PRO CD . 34379 1 815 . 1 1 69 69 ASN H H 1 8.441 0.020 . 1 . . . . A 69 ASN H . 34379 1 816 . 1 1 69 69 ASN HA H 1 4.866 0.020 . 1 . . . . A 69 ASN HA . 34379 1 817 . 1 1 69 69 ASN HB2 H 1 2.769 0.020 . 2 . . . . A 69 ASN HB2 . 34379 1 818 . 1 1 69 69 ASN HB3 H 1 3.121 0.020 . 2 . . . . A 69 ASN HB3 . 34379 1 819 . 1 1 69 69 ASN HD21 H 1 7.006 0.020 . 1 . . . . A 69 ASN HD21 . 34379 1 820 . 1 1 69 69 ASN HD22 H 1 7.742 0.020 . 1 . . . . A 69 ASN HD22 . 34379 1 821 . 1 1 69 69 ASN C C 13 174.510 0.300 . 1 . . . . A 69 ASN C . 34379 1 822 . 1 1 69 69 ASN CA C 13 53.255 0.300 . 1 . . . . A 69 ASN CA . 34379 1 823 . 1 1 69 69 ASN CB C 13 38.884 0.300 . 1 . . . . A 69 ASN CB . 34379 1 824 . 1 1 69 69 ASN N N 15 113.431 0.300 . 1 . . . . A 69 ASN N . 34379 1 825 . 1 1 69 69 ASN ND2 N 15 112.357 0.300 . 1 . . . . A 69 ASN ND2 . 34379 1 826 . 1 1 70 70 TYR H H 1 7.860 0.020 . 1 . . . . A 70 TYR H . 34379 1 827 . 1 1 70 70 TYR HA H 1 4.647 0.020 . 1 . . . . A 70 TYR HA . 34379 1 828 . 1 1 70 70 TYR HB2 H 1 2.966 0.020 . 1 . . . . A 70 TYR HB2 . 34379 1 829 . 1 1 70 70 TYR HB3 H 1 2.966 0.020 . 1 . . . . A 70 TYR HB3 . 34379 1 830 . 1 1 70 70 TYR HD1 H 1 6.840 0.020 . 1 . . . . A 70 TYR HD1 . 34379 1 831 . 1 1 70 70 TYR HD2 H 1 6.840 0.020 . 1 . . . . A 70 TYR HD2 . 34379 1 832 . 1 1 70 70 TYR HE1 H 1 6.562 0.020 . 1 . . . . A 70 TYR HE1 . 34379 1 833 . 1 1 70 70 TYR HE2 H 1 6.562 0.020 . 1 . . . . A 70 TYR HE2 . 34379 1 834 . 1 1 70 70 TYR C C 13 175.380 0.300 . 1 . . . . A 70 TYR C . 34379 1 835 . 1 1 70 70 TYR CA C 13 57.534 0.300 . 1 . . . . A 70 TYR CA . 34379 1 836 . 1 1 70 70 TYR CB C 13 40.760 0.300 . 1 . . . . A 70 TYR CB . 34379 1 837 . 1 1 70 70 TYR CD1 C 13 133.353 0.300 . 1 . . . . A 70 TYR CD1 . 34379 1 838 . 1 1 70 70 TYR CD2 C 13 133.352 0.300 . 1 . . . . A 70 TYR CD2 . 34379 1 839 . 1 1 70 70 TYR CE1 C 13 118.720 0.300 . 1 . . . . A 70 TYR CE1 . 34379 1 840 . 1 1 70 70 TYR CE2 C 13 118.720 0.300 . 1 . . . . A 70 TYR CE2 . 34379 1 841 . 1 1 70 70 TYR N N 15 120.698 0.300 . 1 . . . . A 70 TYR N . 34379 1 842 . 1 1 71 71 GLN H H 1 9.255 0.020 . 1 . . . . A 71 GLN H . 34379 1 843 . 1 1 71 71 GLN HA H 1 2.994 0.020 . 1 . . . . A 71 GLN HA . 34379 1 844 . 1 1 71 71 GLN HB3 H 1 1.711 0.020 . 1 . . . . A 71 GLN HB3 . 34379 1 845 . 1 1 71 71 GLN HG2 H 1 1.565 0.020 . 2 . . . . A 71 GLN HG2 . 34379 1 846 . 1 1 71 71 GLN HG3 H 1 1.117 0.020 . 2 . . . . A 71 GLN HG3 . 34379 1 847 . 1 1 71 71 GLN HE21 H 1 6.552 0.020 . 1 . . . . A 71 GLN HE21 . 34379 1 848 . 1 1 71 71 GLN HE22 H 1 7.248 0.020 . 1 . . . . A 71 GLN HE22 . 34379 1 849 . 1 1 71 71 GLN C C 13 175.450 0.300 . 1 . . . . A 71 GLN C . 34379 1 850 . 1 1 71 71 GLN CA C 13 59.582 0.300 . 1 . . . . A 71 GLN CA . 34379 1 851 . 1 1 71 71 GLN CB C 13 26.560 0.300 . 1 . . . . A 71 GLN CB . 34379 1 852 . 1 1 71 71 GLN CG C 13 33.840 0.300 . 1 . . . . A 71 GLN CG . 34379 1 853 . 1 1 71 71 GLN N N 15 128.068 0.300 . 1 . . . . A 71 GLN N . 34379 1 854 . 1 1 71 71 GLN NE2 N 15 107.352 0.300 . 1 . . . . A 71 GLN NE2 . 34379 1 855 . 1 1 72 72 PHE H H 1 8.345 0.020 . 1 . . . . A 72 PHE H . 34379 1 856 . 1 1 72 72 PHE HA H 1 5.039 0.020 . 1 . . . . A 72 PHE HA . 34379 1 857 . 1 1 72 72 PHE HB2 H 1 2.570 0.020 . 2 . . . . A 72 PHE HB2 . 34379 1 858 . 1 1 72 72 PHE HB3 H 1 3.453 0.020 . 2 . . . . A 72 PHE HB3 . 34379 1 859 . 1 1 72 72 PHE HD1 H 1 6.884 0.020 . 1 . . . . A 72 PHE HD1 . 34379 1 860 . 1 1 72 72 PHE HD2 H 1 6.884 0.020 . 1 . . . . A 72 PHE HD2 . 34379 1 861 . 1 1 72 72 PHE HE1 H 1 6.916 0.020 . 1 . . . . A 72 PHE HE1 . 34379 1 862 . 1 1 72 72 PHE HE2 H 1 6.916 0.020 . 1 . . . . A 72 PHE HE2 . 34379 1 863 . 1 1 72 72 PHE HZ H 1 6.633 0.020 . 1 . . . . A 72 PHE HZ . 34379 1 864 . 1 1 72 72 PHE C C 13 176.550 0.300 . 1 . . . . A 72 PHE C . 34379 1 865 . 1 1 72 72 PHE CA C 13 52.671 0.300 . 1 . . . . A 72 PHE CA . 34379 1 866 . 1 1 72 72 PHE CB C 13 37.486 0.300 . 1 . . . . A 72 PHE CB . 34379 1 867 . 1 1 72 72 PHE CD1 C 13 129.446 0.300 . 1 . . . . A 72 PHE CD1 . 34379 1 868 . 1 1 72 72 PHE CD2 C 13 129.446 0.300 . 1 . . . . A 72 PHE CD2 . 34379 1 869 . 1 1 72 72 PHE CE1 C 13 130.533 0.300 . 1 . . . . A 72 PHE CE1 . 34379 1 870 . 1 1 72 72 PHE CE2 C 13 130.533 0.300 . 1 . . . . A 72 PHE CE2 . 34379 1 871 . 1 1 72 72 PHE CZ C 13 129.207 0.300 . 1 . . . . A 72 PHE CZ . 34379 1 872 . 1 1 72 72 PHE N N 15 121.535 0.300 . 1 . . . . A 72 PHE N . 34379 1 873 . 1 1 73 73 THR H H 1 8.814 0.020 . 1 . . . . A 73 THR H . 34379 1 874 . 1 1 73 73 THR HA H 1 4.183 0.020 . 1 . . . . A 73 THR HA . 34379 1 875 . 1 1 73 73 THR HB H 1 4.169 0.020 . 1 . . . . A 73 THR HB . 34379 1 876 . 1 1 73 73 THR HG21 H 1 1.480 0.020 . 1 . . . . A 73 THR HG21 . 34379 1 877 . 1 1 73 73 THR HG22 H 1 1.480 0.020 . 1 . . . . A 73 THR HG22 . 34379 1 878 . 1 1 73 73 THR HG23 H 1 1.480 0.020 . 1 . . . . A 73 THR HG23 . 34379 1 879 . 1 1 73 73 THR C C 13 175.710 0.300 . 1 . . . . A 73 THR C . 34379 1 880 . 1 1 73 73 THR CA C 13 68.362 0.300 . 1 . . . . A 73 THR CA . 34379 1 881 . 1 1 73 73 THR CB C 13 69.639 0.300 . 1 . . . . A 73 THR CB . 34379 1 882 . 1 1 73 73 THR CG2 C 13 22.810 0.300 . 1 . . . . A 73 THR CG2 . 34379 1 883 . 1 1 73 73 THR N N 15 121.530 0.300 . 1 . . . . A 73 THR N . 34379 1 884 . 1 1 74 74 ASN H H 1 9.806 0.020 . 1 . . . . A 74 ASN H . 34379 1 885 . 1 1 74 74 ASN HA H 1 5.095 0.020 . 1 . . . . A 74 ASN HA . 34379 1 886 . 1 1 74 74 ASN HB2 H 1 2.730 0.020 . 2 . . . . A 74 ASN HB2 . 34379 1 887 . 1 1 74 74 ASN HB3 H 1 2.919 0.020 . 2 . . . . A 74 ASN HB3 . 34379 1 888 . 1 1 74 74 ASN HD21 H 1 6.921 0.020 . 1 . . . . A 74 ASN HD21 . 34379 1 889 . 1 1 74 74 ASN HD22 H 1 7.418 0.020 . 1 . . . . A 74 ASN HD22 . 34379 1 890 . 1 1 74 74 ASN C C 13 176.690 0.300 . 1 . . . . A 74 ASN C . 34379 1 891 . 1 1 74 74 ASN CA C 13 52.447 0.300 . 1 . . . . A 74 ASN CA . 34379 1 892 . 1 1 74 74 ASN CB C 13 39.896 0.300 . 1 . . . . A 74 ASN CB . 34379 1 893 . 1 1 74 74 ASN N N 15 117.380 0.300 . 1 . . . . A 74 ASN N . 34379 1 894 . 1 1 74 74 ASN ND2 N 15 112.034 0.300 . 1 . . . . A 74 ASN ND2 . 34379 1 895 . 1 1 75 75 LEU H H 1 7.767 0.020 . 1 . . . . A 75 LEU H . 34379 1 896 . 1 1 75 75 LEU HA H 1 3.435 0.020 . 1 . . . . A 75 LEU HA . 34379 1 897 . 1 1 75 75 LEU HB2 H 1 0.713 0.020 . 2 . . . . A 75 LEU HB2 . 34379 1 898 . 1 1 75 75 LEU HB3 H 1 1.086 0.020 . 2 . . . . A 75 LEU HB3 . 34379 1 899 . 1 1 75 75 LEU HG H 1 -0.081 0.020 . 1 . . . . A 75 LEU HG . 34379 1 900 . 1 1 75 75 LEU HD11 H 1 -0.218 0.020 . 2 . . . . A 75 LEU HD11 . 34379 1 901 . 1 1 75 75 LEU HD12 H 1 -0.218 0.020 . 2 . . . . A 75 LEU HD12 . 34379 1 902 . 1 1 75 75 LEU HD13 H 1 -0.218 0.020 . 2 . . . . A 75 LEU HD13 . 34379 1 903 . 1 1 75 75 LEU HD21 H 1 -0.527 0.020 . 2 . . . . A 75 LEU HD21 . 34379 1 904 . 1 1 75 75 LEU HD22 H 1 -0.527 0.020 . 2 . . . . A 75 LEU HD22 . 34379 1 905 . 1 1 75 75 LEU HD23 H 1 -0.527 0.020 . 2 . . . . A 75 LEU HD23 . 34379 1 906 . 1 1 75 75 LEU C C 13 176.090 0.300 . 1 . . . . A 75 LEU C . 34379 1 907 . 1 1 75 75 LEU CA C 13 57.687 0.300 . 1 . . . . A 75 LEU CA . 34379 1 908 . 1 1 75 75 LEU CB C 13 41.269 0.300 . 1 . . . . A 75 LEU CB . 34379 1 909 . 1 1 75 75 LEU CG C 13 25.609 0.300 . 1 . . . . A 75 LEU CG . 34379 1 910 . 1 1 75 75 LEU CD1 C 13 23.583 0.300 . 1 . . . . A 75 LEU CD1 . 34379 1 911 . 1 1 75 75 LEU CD2 C 13 25.672 0.300 . 1 . . . . A 75 LEU CD2 . 34379 1 912 . 1 1 75 75 LEU N N 15 122.383 0.300 . 1 . . . . A 75 LEU N . 34379 1 913 . 1 1 76 76 LYS H H 1 7.579 0.020 . 1 . . . . A 76 LYS H . 34379 1 914 . 1 1 76 76 LYS HA H 1 4.295 0.020 . 1 . . . . A 76 LYS HA . 34379 1 915 . 1 1 76 76 LYS HB2 H 1 1.901 0.020 . 2 . . . . A 76 LYS HB2 . 34379 1 916 . 1 1 76 76 LYS HB3 H 1 2.029 0.020 . 2 . . . . A 76 LYS HB3 . 34379 1 917 . 1 1 76 76 LYS HG2 H 1 1.372 0.020 . 2 . . . . A 76 LYS HG2 . 34379 1 918 . 1 1 76 76 LYS HG3 H 1 1.526 0.020 . 2 . . . . A 76 LYS HG3 . 34379 1 919 . 1 1 76 76 LYS HD2 H 1 1.773 0.020 . 1 . . . . A 76 LYS HD2 . 34379 1 920 . 1 1 76 76 LYS HD3 H 1 1.773 0.020 . 1 . . . . A 76 LYS HD3 . 34379 1 921 . 1 1 76 76 LYS HE2 H 1 3.100 0.020 . 1 . . . . A 76 LYS HE2 . 34379 1 922 . 1 1 76 76 LYS HE3 H 1 3.100 0.020 . 1 . . . . A 76 LYS HE3 . 34379 1 923 . 1 1 76 76 LYS C C 13 175.780 0.300 . 1 . . . . A 76 LYS C . 34379 1 924 . 1 1 76 76 LYS CA C 13 57.751 0.300 . 1 . . . . A 76 LYS CA . 34379 1 925 . 1 1 76 76 LYS CB C 13 31.697 0.300 . 1 . . . . A 76 LYS CB . 34379 1 926 . 1 1 76 76 LYS CG C 13 23.846 0.300 . 1 . . . . A 76 LYS CG . 34379 1 927 . 1 1 76 76 LYS CD C 13 29.711 0.300 . 1 . . . . A 76 LYS CD . 34379 1 928 . 1 1 76 76 LYS CE C 13 42.352 0.300 . 1 . . . . A 76 LYS CE . 34379 1 929 . 1 1 76 76 LYS N N 15 112.269 0.300 . 1 . . . . A 76 LYS N . 34379 1 930 . 1 1 77 77 ALA H H 1 7.872 0.020 . 1 . . . . A 77 ALA H . 34379 1 931 . 1 1 77 77 ALA HA H 1 4.237 0.020 . 1 . . . . A 77 ALA HA . 34379 1 932 . 1 1 77 77 ALA HB1 H 1 1.436 0.020 . 1 . . . . A 77 ALA HB1 . 34379 1 933 . 1 1 77 77 ALA HB2 H 1 1.436 0.020 . 1 . . . . A 77 ALA HB2 . 34379 1 934 . 1 1 77 77 ALA HB3 H 1 1.436 0.020 . 1 . . . . A 77 ALA HB3 . 34379 1 935 . 1 1 77 77 ALA C C 13 178.480 0.300 . 1 . . . . A 77 ALA C . 34379 1 936 . 1 1 77 77 ALA CA C 13 53.293 0.300 . 1 . . . . A 77 ALA CA . 34379 1 937 . 1 1 77 77 ALA CB C 13 19.542 0.300 . 1 . . . . A 77 ALA CB . 34379 1 938 . 1 1 77 77 ALA N N 15 123.580 0.300 . 1 . . . . A 77 ALA N . 34379 1 939 . 1 1 78 78 ALA H H 1 8.095 0.020 . 1 . . . . A 78 ALA H . 34379 1 940 . 1 1 78 78 ALA HA H 1 4.065 0.020 . 1 . . . . A 78 ALA HA . 34379 1 941 . 1 1 78 78 ALA HB1 H 1 1.238 0.020 . 1 . . . . A 78 ALA HB1 . 34379 1 942 . 1 1 78 78 ALA HB2 H 1 1.238 0.020 . 1 . . . . A 78 ALA HB2 . 34379 1 943 . 1 1 78 78 ALA HB3 H 1 1.238 0.020 . 1 . . . . A 78 ALA HB3 . 34379 1 944 . 1 1 78 78 ALA C C 13 174.780 0.300 . 1 . . . . A 78 ALA C . 34379 1 945 . 1 1 78 78 ALA CA C 13 52.081 0.300 . 1 . . . . A 78 ALA CA . 34379 1 946 . 1 1 78 78 ALA CB C 13 19.274 0.300 . 1 . . . . A 78 ALA CB . 34379 1 947 . 1 1 78 78 ALA N N 15 120.427 0.300 . 1 . . . . A 78 ALA N . 34379 1 948 . 1 1 79 79 LYS H H 1 8.376 0.020 . 1 . . . . A 79 LYS H . 34379 1 949 . 1 1 79 79 LYS HA H 1 4.587 0.020 . 1 . . . . A 79 LYS HA . 34379 1 950 . 1 1 79 79 LYS HB2 H 1 1.864 0.020 . 2 . . . . A 79 LYS HB2 . 34379 1 951 . 1 1 79 79 LYS HB3 H 1 1.669 0.020 . 2 . . . . A 79 LYS HB3 . 34379 1 952 . 1 1 79 79 LYS HG2 H 1 1.334 0.020 . 1 . . . . A 79 LYS HG2 . 34379 1 953 . 1 1 79 79 LYS HG3 H 1 1.334 0.020 . 1 . . . . A 79 LYS HG3 . 34379 1 954 . 1 1 79 79 LYS HD2 H 1 1.631 0.020 . 1 . . . . A 79 LYS HD2 . 34379 1 955 . 1 1 79 79 LYS HE2 H 1 2.929 0.020 . 2 . . . . A 79 LYS HE2 . 34379 1 956 . 1 1 79 79 LYS HE3 H 1 2.956 0.020 . 2 . . . . A 79 LYS HE3 . 34379 1 957 . 1 1 79 79 LYS C C 13 176.560 0.300 . 1 . . . . A 79 LYS C . 34379 1 958 . 1 1 79 79 LYS CA C 13 54.008 0.300 . 1 . . . . A 79 LYS CA . 34379 1 959 . 1 1 79 79 LYS CB C 13 36.121 0.300 . 1 . . . . A 79 LYS CB . 34379 1 960 . 1 1 79 79 LYS CG C 13 24.124 0.300 . 1 . . . . A 79 LYS CG . 34379 1 961 . 1 1 79 79 LYS CD C 13 29.410 0.300 . 1 . . . . A 79 LYS CD . 34379 1 962 . 1 1 79 79 LYS CE C 13 42.107 0.300 . 1 . . . . A 79 LYS CE . 34379 1 963 . 1 1 79 79 LYS N N 15 116.675 0.300 . 1 . . . . A 79 LYS N . 34379 1 964 . 1 1 80 80 LYS H H 1 8.560 0.020 . 1 . . . . A 80 LYS H . 34379 1 965 . 1 1 80 80 LYS HA H 1 3.584 0.020 . 1 . . . . A 80 LYS HA . 34379 1 966 . 1 1 80 80 LYS HB2 H 1 1.700 0.020 . 1 . . . . A 80 LYS HB2 . 34379 1 967 . 1 1 80 80 LYS HB3 H 1 1.700 0.020 . 1 . . . . A 80 LYS HB3 . 34379 1 968 . 1 1 80 80 LYS HG2 H 1 1.187 0.020 . 2 . . . . A 80 LYS HG2 . 34379 1 969 . 1 1 80 80 LYS HG3 H 1 1.446 0.020 . 2 . . . . A 80 LYS HG3 . 34379 1 970 . 1 1 80 80 LYS HD2 H 1 1.714 0.020 . 1 . . . . A 80 LYS HD2 . 34379 1 971 . 1 1 80 80 LYS HD3 H 1 1.714 0.020 . 1 . . . . A 80 LYS HD3 . 34379 1 972 . 1 1 80 80 LYS HE2 H 1 3.020 0.020 . 1 . . . . A 80 LYS HE2 . 34379 1 973 . 1 1 80 80 LYS C C 13 177.710 0.300 . 1 . . . . A 80 LYS C . 34379 1 974 . 1 1 80 80 LYS CA C 13 59.905 0.300 . 1 . . . . A 80 LYS CA . 34379 1 975 . 1 1 80 80 LYS CB C 13 31.677 0.300 . 1 . . . . A 80 LYS CB . 34379 1 976 . 1 1 80 80 LYS CG C 13 26.009 0.300 . 1 . . . . A 80 LYS CG . 34379 1 977 . 1 1 80 80 LYS CD C 13 29.760 0.300 . 1 . . . . A 80 LYS CD . 34379 1 978 . 1 1 80 80 LYS CE C 13 42.050 0.300 . 1 . . . . A 80 LYS CE . 34379 1 979 . 1 1 80 80 LYS N N 15 120.497 0.300 . 1 . . . . A 80 LYS N . 34379 1 980 . 1 1 81 81 GLY H H 1 9.236 0.020 . 1 . . . . A 81 GLY H . 34379 1 981 . 1 1 81 81 GLY HA2 H 1 3.420 0.020 . 2 . . . . A 81 GLY HA2 . 34379 1 982 . 1 1 81 81 GLY HA3 H 1 4.557 0.020 . 2 . . . . A 81 GLY HA3 . 34379 1 983 . 1 1 81 81 GLY C C 13 174.530 0.300 . 1 . . . . A 81 GLY C . 34379 1 984 . 1 1 81 81 GLY CA C 13 45.260 0.300 . 1 . . . . A 81 GLY CA . 34379 1 985 . 1 1 81 81 GLY N N 15 114.656 0.300 . 1 . . . . A 81 GLY N . 34379 1 986 . 1 1 82 82 SER H H 1 8.614 0.020 . 1 . . . . A 82 SER H . 34379 1 987 . 1 1 82 82 SER HA H 1 4.270 0.020 . 1 . . . . A 82 SER HA . 34379 1 988 . 1 1 82 82 SER HB2 H 1 3.882 0.020 . 2 . . . . A 82 SER HB2 . 34379 1 989 . 1 1 82 82 SER HB3 H 1 4.083 0.020 . 2 . . . . A 82 SER HB3 . 34379 1 990 . 1 1 82 82 SER C C 13 173.990 0.300 . 1 . . . . A 82 SER C . 34379 1 991 . 1 1 82 82 SER CA C 13 61.982 0.300 . 1 . . . . A 82 SER CA . 34379 1 992 . 1 1 82 82 SER CB C 13 63.582 0.300 . 1 . . . . A 82 SER CB . 34379 1 993 . 1 1 82 82 SER N N 15 119.077 0.300 . 1 . . . . A 82 SER N . 34379 1 994 . 1 1 83 83 MET H H 1 8.473 0.020 . 1 . . . . A 83 MET H . 34379 1 995 . 1 1 83 83 MET HA H 1 5.118 0.020 . 1 . . . . A 83 MET HA . 34379 1 996 . 1 1 83 83 MET HB2 H 1 1.951 0.020 . 2 . . . . A 83 MET HB2 . 34379 1 997 . 1 1 83 83 MET HB3 H 1 1.626 0.020 . 2 . . . . A 83 MET HB3 . 34379 1 998 . 1 1 83 83 MET HG2 H 1 2.613 0.020 . 2 . . . . A 83 MET HG2 . 34379 1 999 . 1 1 83 83 MET HG3 H 1 2.784 0.020 . 2 . . . . A 83 MET HG3 . 34379 1 1000 . 1 1 83 83 MET HE1 H 1 1.871 0.020 . 1 . . . . A 83 MET HE1 . 34379 1 1001 . 1 1 83 83 MET HE2 H 1 1.871 0.020 . 1 . . . . A 83 MET HE2 . 34379 1 1002 . 1 1 83 83 MET HE3 H 1 1.871 0.020 . 1 . . . . A 83 MET HE3 . 34379 1 1003 . 1 1 83 83 MET C C 13 176.200 0.300 . 1 . . . . A 83 MET C . 34379 1 1004 . 1 1 83 83 MET CA C 13 53.862 0.300 . 1 . . . . A 83 MET CA . 34379 1 1005 . 1 1 83 83 MET CB C 13 32.265 0.300 . 1 . . . . A 83 MET CB . 34379 1 1006 . 1 1 83 83 MET CG C 13 32.256 0.300 . 1 . . . . A 83 MET CG . 34379 1 1007 . 1 1 83 83 MET CE C 13 15.542 0.300 . 1 . . . . A 83 MET CE . 34379 1 1008 . 1 1 83 83 MET N N 15 121.957 0.300 . 1 . . . . A 83 MET N . 34379 1 1009 . 1 1 84 84 VAL H H 1 8.758 0.020 . 1 . . . . A 84 VAL H . 34379 1 1010 . 1 1 84 84 VAL HA H 1 4.432 0.020 . 1 . . . . A 84 VAL HA . 34379 1 1011 . 1 1 84 84 VAL HB H 1 1.633 0.020 . 1 . . . . A 84 VAL HB . 34379 1 1012 . 1 1 84 84 VAL HG11 H 1 0.642 0.020 . 2 . . . . A 84 VAL HG11 . 34379 1 1013 . 1 1 84 84 VAL HG12 H 1 0.642 0.020 . 2 . . . . A 84 VAL HG12 . 34379 1 1014 . 1 1 84 84 VAL HG13 H 1 0.642 0.020 . 2 . . . . A 84 VAL HG13 . 34379 1 1015 . 1 1 84 84 VAL HG21 H 1 0.621 0.020 . 2 . . . . A 84 VAL HG21 . 34379 1 1016 . 1 1 84 84 VAL HG22 H 1 0.621 0.020 . 2 . . . . A 84 VAL HG22 . 34379 1 1017 . 1 1 84 84 VAL HG23 H 1 0.621 0.020 . 2 . . . . A 84 VAL HG23 . 34379 1 1018 . 1 1 84 84 VAL C C 13 173.730 0.300 . 1 . . . . A 84 VAL C . 34379 1 1019 . 1 1 84 84 VAL CA C 13 60.892 0.300 . 1 . . . . A 84 VAL CA . 34379 1 1020 . 1 1 84 84 VAL CB C 13 35.714 0.300 . 1 . . . . A 84 VAL CB . 34379 1 1021 . 1 1 84 84 VAL CG1 C 13 20.991 0.300 . 1 . . . . A 84 VAL CG1 . 34379 1 1022 . 1 1 84 84 VAL CG2 C 13 21.851 0.300 . 1 . . . . A 84 VAL CG2 . 34379 1 1023 . 1 1 84 84 VAL N N 15 121.160 0.300 . 1 . . . . A 84 VAL N . 34379 1 1024 . 1 1 85 85 TYR H H 1 9.266 0.020 . 1 . . . . A 85 TYR H . 34379 1 1025 . 1 1 85 85 TYR HA H 1 5.661 0.020 . 1 . . . . A 85 TYR HA . 34379 1 1026 . 1 1 85 85 TYR HB2 H 1 2.983 0.020 . 2 . . . . A 85 TYR HB2 . 34379 1 1027 . 1 1 85 85 TYR HB3 H 1 2.860 0.020 . 2 . . . . A 85 TYR HB3 . 34379 1 1028 . 1 1 85 85 TYR HD1 H 1 6.990 0.020 . 1 . . . . A 85 TYR HD1 . 34379 1 1029 . 1 1 85 85 TYR HD2 H 1 6.990 0.020 . 1 . . . . A 85 TYR HD2 . 34379 1 1030 . 1 1 85 85 TYR HE1 H 1 6.662 0.020 . 1 . . . . A 85 TYR HE1 . 34379 1 1031 . 1 1 85 85 TYR HE2 H 1 6.662 0.020 . 1 . . . . A 85 TYR HE2 . 34379 1 1032 . 1 1 85 85 TYR C C 13 174.790 0.300 . 1 . . . . A 85 TYR C . 34379 1 1033 . 1 1 85 85 TYR CA C 13 55.941 0.300 . 1 . . . . A 85 TYR CA . 34379 1 1034 . 1 1 85 85 TYR CB C 13 40.937 0.300 . 1 . . . . A 85 TYR CB . 34379 1 1035 . 1 1 85 85 TYR CD1 C 13 133.450 0.300 . 1 . . . . A 85 TYR CD1 . 34379 1 1036 . 1 1 85 85 TYR CD2 C 13 133.450 0.300 . 1 . . . . A 85 TYR CD2 . 34379 1 1037 . 1 1 85 85 TYR CE1 C 13 117.706 0.300 . 1 . . . . A 85 TYR CE1 . 34379 1 1038 . 1 1 85 85 TYR CE2 C 13 117.706 0.300 . 1 . . . . A 85 TYR CE2 . 34379 1 1039 . 1 1 85 85 TYR N N 15 123.639 0.300 . 1 . . . . A 85 TYR N . 34379 1 1040 . 1 1 86 86 PHE H H 1 9.675 0.020 . 1 . . . . A 86 PHE H . 34379 1 1041 . 1 1 86 86 PHE HA H 1 5.999 0.020 . 1 . . . . A 86 PHE HA . 34379 1 1042 . 1 1 86 86 PHE HB2 H 1 2.885 0.020 . 2 . . . . A 86 PHE HB2 . 34379 1 1043 . 1 1 86 86 PHE HB3 H 1 3.553 0.020 . 2 . . . . A 86 PHE HB3 . 34379 1 1044 . 1 1 86 86 PHE HD1 H 1 7.320 0.020 . 1 . . . . A 86 PHE HD1 . 34379 1 1045 . 1 1 86 86 PHE HD2 H 1 7.320 0.020 . 1 . . . . A 86 PHE HD2 . 34379 1 1046 . 1 1 86 86 PHE HE1 H 1 6.916 0.020 . 1 . . . . A 86 PHE HE1 . 34379 1 1047 . 1 1 86 86 PHE HE2 H 1 6.916 0.020 . 1 . . . . A 86 PHE HE2 . 34379 1 1048 . 1 1 86 86 PHE HZ H 1 7.021 0.020 . 1 . . . . A 86 PHE HZ . 34379 1 1049 . 1 1 86 86 PHE C C 13 173.530 0.300 . 1 . . . . A 86 PHE C . 34379 1 1050 . 1 1 86 86 PHE CA C 13 53.863 0.300 . 1 . . . . A 86 PHE CA . 34379 1 1051 . 1 1 86 86 PHE CB C 13 43.064 0.300 . 1 . . . . A 86 PHE CB . 34379 1 1052 . 1 1 86 86 PHE CD1 C 13 130.880 0.300 . 1 . . . . A 86 PHE CD1 . 34379 1 1053 . 1 1 86 86 PHE CD2 C 13 130.880 0.300 . 1 . . . . A 86 PHE CD2 . 34379 1 1054 . 1 1 86 86 PHE CE1 C 13 130.658 0.300 . 1 . . . . A 86 PHE CE1 . 34379 1 1055 . 1 1 86 86 PHE CE2 C 13 130.658 0.300 . 1 . . . . A 86 PHE CE2 . 34379 1 1056 . 1 1 86 86 PHE CZ C 13 128.426 0.300 . 1 . . . . A 86 PHE CZ . 34379 1 1057 . 1 1 86 86 PHE N N 15 125.391 0.300 . 1 . . . . A 86 PHE N . 34379 1 1058 . 1 1 87 87 LYS H H 1 9.430 0.020 . 1 . . . . A 87 LYS H . 34379 1 1059 . 1 1 87 87 LYS HA H 1 5.153 0.020 . 1 . . . . A 87 LYS HA . 34379 1 1060 . 1 1 87 87 LYS HB2 H 1 1.906 0.020 . 2 . . . . A 87 LYS HB2 . 34379 1 1061 . 1 1 87 87 LYS HB3 H 1 1.726 0.020 . 2 . . . . A 87 LYS HB3 . 34379 1 1062 . 1 1 87 87 LYS HG2 H 1 1.297 0.020 . 2 . . . . A 87 LYS HG2 . 34379 1 1063 . 1 1 87 87 LYS HG3 H 1 1.437 0.020 . 2 . . . . A 87 LYS HG3 . 34379 1 1064 . 1 1 87 87 LYS HD2 H 1 1.520 0.020 . 1 . . . . A 87 LYS HD2 . 34379 1 1065 . 1 1 87 87 LYS HD3 H 1 1.520 0.020 . 1 . . . . A 87 LYS HD3 . 34379 1 1066 . 1 1 87 87 LYS HE2 H 1 2.673 0.020 . 2 . . . . A 87 LYS HE2 . 34379 1 1067 . 1 1 87 87 LYS HE3 H 1 2.821 0.020 . 2 . . . . A 87 LYS HE3 . 34379 1 1068 . 1 1 87 87 LYS C C 13 175.040 0.300 . 1 . . . . A 87 LYS C . 34379 1 1069 . 1 1 87 87 LYS CA C 13 55.490 0.300 . 1 . . . . A 87 LYS CA . 34379 1 1070 . 1 1 87 87 LYS CB C 13 34.517 0.300 . 1 . . . . A 87 LYS CB . 34379 1 1071 . 1 1 87 87 LYS CG C 13 25.568 0.300 . 1 . . . . A 87 LYS CG . 34379 1 1072 . 1 1 87 87 LYS CD C 13 29.744 0.300 . 1 . . . . A 87 LYS CD . 34379 1 1073 . 1 1 87 87 LYS CE C 13 42.373 0.300 . 1 . . . . A 87 LYS CE . 34379 1 1074 . 1 1 87 87 LYS N N 15 130.281 0.300 . 1 . . . . A 87 LYS N . 34379 1 1075 . 1 1 88 88 VAL H H 1 8.081 0.020 . 1 . . . . A 88 VAL H . 34379 1 1076 . 1 1 88 88 VAL HA H 1 4.361 0.020 . 1 . . . . A 88 VAL HA . 34379 1 1077 . 1 1 88 88 VAL HB H 1 1.630 0.020 . 1 . . . . A 88 VAL HB . 34379 1 1078 . 1 1 88 88 VAL HG11 H 1 0.578 0.020 . 2 . . . . A 88 VAL HG11 . 34379 1 1079 . 1 1 88 88 VAL HG12 H 1 0.578 0.020 . 2 . . . . A 88 VAL HG12 . 34379 1 1080 . 1 1 88 88 VAL HG13 H 1 0.578 0.020 . 2 . . . . A 88 VAL HG13 . 34379 1 1081 . 1 1 88 88 VAL HG21 H 1 0.437 0.020 . 2 . . . . A 88 VAL HG21 . 34379 1 1082 . 1 1 88 88 VAL HG22 H 1 0.437 0.020 . 2 . . . . A 88 VAL HG22 . 34379 1 1083 . 1 1 88 88 VAL HG23 H 1 0.437 0.020 . 2 . . . . A 88 VAL HG23 . 34379 1 1084 . 1 1 88 88 VAL C C 13 175.770 0.300 . 1 . . . . A 88 VAL C . 34379 1 1085 . 1 1 88 88 VAL CA C 13 59.421 0.300 . 1 . . . . A 88 VAL CA . 34379 1 1086 . 1 1 88 88 VAL CB C 13 34.116 0.300 . 1 . . . . A 88 VAL CB . 34379 1 1087 . 1 1 88 88 VAL CG1 C 13 19.261 0.300 . 1 . . . . A 88 VAL CG1 . 34379 1 1088 . 1 1 88 88 VAL CG2 C 13 21.567 0.300 . 1 . . . . A 88 VAL CG2 . 34379 1 1089 . 1 1 88 88 VAL N N 15 121.169 0.300 . 1 . . . . A 88 VAL N . 34379 1 1090 . 1 1 89 89 GLY H H 1 9.055 0.020 . 1 . . . . A 89 GLY H . 34379 1 1091 . 1 1 89 89 GLY HA2 H 1 3.678 0.020 . 2 . . . . A 89 GLY HA2 . 34379 1 1092 . 1 1 89 89 GLY HA3 H 1 3.855 0.020 . 2 . . . . A 89 GLY HA3 . 34379 1 1093 . 1 1 89 89 GLY C C 13 175.140 0.300 . 1 . . . . A 89 GLY C . 34379 1 1094 . 1 1 89 89 GLY CA C 13 47.418 0.300 . 1 . . . . A 89 GLY CA . 34379 1 1095 . 1 1 89 89 GLY N N 15 115.609 0.300 . 1 . . . . A 89 GLY N . 34379 1 1096 . 1 1 90 90 ASN H H 1 9.000 0.020 . 1 . . . . A 90 ASN H . 34379 1 1097 . 1 1 90 90 ASN HA H 1 4.790 0.020 . 1 . . . . A 90 ASN HA . 34379 1 1098 . 1 1 90 90 ASN HB2 H 1 2.790 0.020 . 2 . . . . A 90 ASN HB2 . 34379 1 1099 . 1 1 90 90 ASN HB3 H 1 2.913 0.020 . 2 . . . . A 90 ASN HB3 . 34379 1 1100 . 1 1 90 90 ASN HD21 H 1 6.908 0.020 . 1 . . . . A 90 ASN HD21 . 34379 1 1101 . 1 1 90 90 ASN HD22 H 1 7.570 0.020 . 1 . . . . A 90 ASN HD22 . 34379 1 1102 . 1 1 90 90 ASN C C 13 174.960 0.300 . 1 . . . . A 90 ASN C . 34379 1 1103 . 1 1 90 90 ASN CA C 13 53.131 0.300 . 1 . . . . A 90 ASN CA . 34379 1 1104 . 1 1 90 90 ASN CB C 13 38.917 0.300 . 1 . . . . A 90 ASN CB . 34379 1 1105 . 1 1 90 90 ASN N N 15 124.852 0.300 . 1 . . . . A 90 ASN N . 34379 1 1106 . 1 1 90 90 ASN ND2 N 15 112.552 0.300 . 1 . . . . A 90 ASN ND2 . 34379 1 1107 . 1 1 91 91 GLU H H 1 8.449 0.020 . 1 . . . . A 91 GLU H . 34379 1 1108 . 1 1 91 91 GLU HA H 1 4.600 0.020 . 1 . . . . A 91 GLU HA . 34379 1 1109 . 1 1 91 91 GLU HB2 H 1 2.100 0.020 . 1 . . . . A 91 GLU HB2 . 34379 1 1110 . 1 1 91 91 GLU HB3 H 1 2.100 0.020 . 1 . . . . A 91 GLU HB3 . 34379 1 1111 . 1 1 91 91 GLU HG2 H 1 2.270 0.020 . 2 . . . . A 91 GLU HG2 . 34379 1 1112 . 1 1 91 91 GLU HG3 H 1 2.210 0.020 . 2 . . . . A 91 GLU HG3 . 34379 1 1113 . 1 1 91 91 GLU C C 13 175.740 0.300 . 1 . . . . A 91 GLU C . 34379 1 1114 . 1 1 91 91 GLU CA C 13 55.873 0.300 . 1 . . . . A 91 GLU CA . 34379 1 1115 . 1 1 91 91 GLU CB C 13 32.637 0.300 . 1 . . . . A 91 GLU CB . 34379 1 1116 . 1 1 91 91 GLU CG C 13 36.560 0.300 . 1 . . . . A 91 GLU CG . 34379 1 1117 . 1 1 91 91 GLU N N 15 121.202 0.300 . 1 . . . . A 91 GLU N . 34379 1 1118 . 1 1 92 92 THR H H 1 8.743 0.020 . 1 . . . . A 92 THR H . 34379 1 1119 . 1 1 92 92 THR HA H 1 4.643 0.020 . 1 . . . . A 92 THR HA . 34379 1 1120 . 1 1 92 92 THR HB H 1 4.036 0.020 . 1 . . . . A 92 THR HB . 34379 1 1121 . 1 1 92 92 THR HG21 H 1 1.135 0.020 . 1 . . . . A 92 THR HG21 . 34379 1 1122 . 1 1 92 92 THR HG22 H 1 1.135 0.020 . 1 . . . . A 92 THR HG22 . 34379 1 1123 . 1 1 92 92 THR HG23 H 1 1.135 0.020 . 1 . . . . A 92 THR HG23 . 34379 1 1124 . 1 1 92 92 THR C C 13 174.150 0.300 . 1 . . . . A 92 THR C . 34379 1 1125 . 1 1 92 92 THR CA C 13 62.861 0.300 . 1 . . . . A 92 THR CA . 34379 1 1126 . 1 1 92 92 THR CB C 13 69.687 0.300 . 1 . . . . A 92 THR CB . 34379 1 1127 . 1 1 92 92 THR CG2 C 13 22.012 0.300 . 1 . . . . A 92 THR CG2 . 34379 1 1128 . 1 1 92 92 THR N N 15 120.469 0.300 . 1 . . . . A 92 THR N . 34379 1 1129 . 1 1 93 93 ARG H H 1 9.340 0.020 . 1 . . . . A 93 ARG H . 34379 1 1130 . 1 1 93 93 ARG HA H 1 4.492 0.020 . 1 . . . . A 93 ARG HA . 34379 1 1131 . 1 1 93 93 ARG HB2 H 1 2.321 0.020 . 2 . . . . A 93 ARG HB2 . 34379 1 1132 . 1 1 93 93 ARG HB3 H 1 1.929 0.020 . 2 . . . . A 93 ARG HB3 . 34379 1 1133 . 1 1 93 93 ARG HG2 H 1 1.688 0.020 . 2 . . . . A 93 ARG HG2 . 34379 1 1134 . 1 1 93 93 ARG HG3 H 1 1.717 0.020 . 2 . . . . A 93 ARG HG3 . 34379 1 1135 . 1 1 93 93 ARG HD2 H 1 3.131 0.020 . 2 . . . . A 93 ARG HD2 . 34379 1 1136 . 1 1 93 93 ARG HD3 H 1 3.369 0.020 . 2 . . . . A 93 ARG HD3 . 34379 1 1137 . 1 1 93 93 ARG C C 13 174.530 0.300 . 1 . . . . A 93 ARG C . 34379 1 1138 . 1 1 93 93 ARG CA C 13 56.204 0.300 . 1 . . . . A 93 ARG CA . 34379 1 1139 . 1 1 93 93 ARG CB C 13 32.807 0.300 . 1 . . . . A 93 ARG CB . 34379 1 1140 . 1 1 93 93 ARG CG C 13 28.010 0.300 . 1 . . . . A 93 ARG CG . 34379 1 1141 . 1 1 93 93 ARG CD C 13 44.668 0.300 . 1 . . . . A 93 ARG CD . 34379 1 1142 . 1 1 93 93 ARG N N 15 129.052 0.300 . 1 . . . . A 93 ARG N . 34379 1 1143 . 1 1 94 94 LYS H H 1 8.397 0.020 . 1 . . . . A 94 LYS H . 34379 1 1144 . 1 1 94 94 LYS HA H 1 5.108 0.020 . 1 . . . . A 94 LYS HA . 34379 1 1145 . 1 1 94 94 LYS HB2 H 1 1.710 0.020 . 2 . . . . A 94 LYS HB2 . 34379 1 1146 . 1 1 94 94 LYS HB3 H 1 1.517 0.020 . 2 . . . . A 94 LYS HB3 . 34379 1 1147 . 1 1 94 94 LYS HG2 H 1 1.330 0.020 . 2 . . . . A 94 LYS HG2 . 34379 1 1148 . 1 1 94 94 LYS HG3 H 1 1.414 0.020 . 2 . . . . A 94 LYS HG3 . 34379 1 1149 . 1 1 94 94 LYS HD2 H 1 1.657 0.020 . 1 . . . . A 94 LYS HD2 . 34379 1 1150 . 1 1 94 94 LYS HE3 H 1 2.956 0.020 . 1 . . . . A 94 LYS HE3 . 34379 1 1151 . 1 1 94 94 LYS C C 13 174.680 0.300 . 1 . . . . A 94 LYS C . 34379 1 1152 . 1 1 94 94 LYS CA C 13 55.221 0.300 . 1 . . . . A 94 LYS CA . 34379 1 1153 . 1 1 94 94 LYS CB C 13 35.730 0.300 . 1 . . . . A 94 LYS CB . 34379 1 1154 . 1 1 94 94 LYS CG C 13 24.807 0.300 . 1 . . . . A 94 LYS CG . 34379 1 1155 . 1 1 94 94 LYS CD C 13 29.900 0.300 . 1 . . . . A 94 LYS CD . 34379 1 1156 . 1 1 94 94 LYS CE C 13 42.505 0.300 . 1 . . . . A 94 LYS CE . 34379 1 1157 . 1 1 94 94 LYS N N 15 122.365 0.300 . 1 . . . . A 94 LYS N . 34379 1 1158 . 1 1 95 95 TYR H H 1 9.039 0.020 . 1 . . . . A 95 TYR H . 34379 1 1159 . 1 1 95 95 TYR HA H 1 5.055 0.020 . 1 . . . . A 95 TYR HA . 34379 1 1160 . 1 1 95 95 TYR HB2 H 1 2.282 0.020 . 2 . . . . A 95 TYR HB2 . 34379 1 1161 . 1 1 95 95 TYR HB3 H 1 2.385 0.020 . 2 . . . . A 95 TYR HB3 . 34379 1 1162 . 1 1 95 95 TYR HD1 H 1 6.798 0.020 . 1 . . . . A 95 TYR HD1 . 34379 1 1163 . 1 1 95 95 TYR HD2 H 1 6.798 0.020 . 1 . . . . A 95 TYR HD2 . 34379 1 1164 . 1 1 95 95 TYR HE1 H 1 6.522 0.020 . 1 . . . . A 95 TYR HE1 . 34379 1 1165 . 1 1 95 95 TYR HE2 H 1 6.522 0.020 . 1 . . . . A 95 TYR HE2 . 34379 1 1166 . 1 1 95 95 TYR C C 13 173.340 0.300 . 1 . . . . A 95 TYR C . 34379 1 1167 . 1 1 95 95 TYR CA C 13 55.369 0.300 . 1 . . . . A 95 TYR CA . 34379 1 1168 . 1 1 95 95 TYR CB C 13 43.669 0.300 . 1 . . . . A 95 TYR CB . 34379 1 1169 . 1 1 95 95 TYR CD1 C 13 133.760 0.300 . 1 . . . . A 95 TYR CD1 . 34379 1 1170 . 1 1 95 95 TYR CD2 C 13 133.760 0.300 . 1 . . . . A 95 TYR CD2 . 34379 1 1171 . 1 1 95 95 TYR CE1 C 13 117.840 0.300 . 1 . . . . A 95 TYR CE1 . 34379 1 1172 . 1 1 95 95 TYR CE2 C 13 117.840 0.300 . 1 . . . . A 95 TYR CE2 . 34379 1 1173 . 1 1 95 95 TYR N N 15 119.719 0.300 . 1 . . . . A 95 TYR N . 34379 1 1174 . 1 1 96 96 LYS H H 1 8.954 0.020 . 1 . . . . A 96 LYS H . 34379 1 1175 . 1 1 96 96 LYS HA H 1 5.090 0.020 . 1 . . . . A 96 LYS HA . 34379 1 1176 . 1 1 96 96 LYS HB2 H 1 1.669 0.020 . 2 . . . . A 96 LYS HB2 . 34379 1 1177 . 1 1 96 96 LYS HB3 H 1 1.463 0.020 . 2 . . . . A 96 LYS HB3 . 34379 1 1178 . 1 1 96 96 LYS HG2 H 1 1.280 0.020 . 1 . . . . A 96 LYS HG2 . 34379 1 1179 . 1 1 96 96 LYS HG3 H 1 1.280 0.020 . 1 . . . . A 96 LYS HG3 . 34379 1 1180 . 1 1 96 96 LYS HD3 H 1 1.650 0.020 . 1 . . . . A 96 LYS HD3 . 34379 1 1181 . 1 1 96 96 LYS HE2 H 1 2.953 0.020 . 1 . . . . A 96 LYS HE2 . 34379 1 1182 . 1 1 96 96 LYS HE3 H 1 2.953 0.020 . 1 . . . . A 96 LYS HE3 . 34379 1 1183 . 1 1 96 96 LYS C C 13 176.800 0.300 . 1 . . . . A 96 LYS C . 34379 1 1184 . 1 1 96 96 LYS CA C 13 54.409 0.300 . 1 . . . . A 96 LYS CA . 34379 1 1185 . 1 1 96 96 LYS CB C 13 36.618 0.300 . 1 . . . . A 96 LYS CB . 34379 1 1186 . 1 1 96 96 LYS CG C 13 24.884 0.300 . 1 . . . . A 96 LYS CG . 34379 1 1187 . 1 1 96 96 LYS CD C 13 29.970 0.300 . 1 . . . . A 96 LYS CD . 34379 1 1188 . 1 1 96 96 LYS CE C 13 42.310 0.300 . 1 . . . . A 96 LYS CE . 34379 1 1189 . 1 1 96 96 LYS N N 15 119.796 0.300 . 1 . . . . A 96 LYS N . 34379 1 1190 . 1 1 97 97 MET H H 1 9.238 0.020 . 1 . . . . A 97 MET H . 34379 1 1191 . 1 1 97 97 MET HA H 1 4.578 0.020 . 1 . . . . A 97 MET HA . 34379 1 1192 . 1 1 97 97 MET HB2 H 1 2.276 0.020 . 2 . . . . A 97 MET HB2 . 34379 1 1193 . 1 1 97 97 MET HB3 H 1 2.380 0.020 . 2 . . . . A 97 MET HB3 . 34379 1 1194 . 1 1 97 97 MET HG2 H 1 2.381 0.020 . 1 . . . . A 97 MET HG2 . 34379 1 1195 . 1 1 97 97 MET HE1 H 1 1.593 0.020 . 1 . . . . A 97 MET HE1 . 34379 1 1196 . 1 1 97 97 MET HE2 H 1 1.593 0.020 . 1 . . . . A 97 MET HE2 . 34379 1 1197 . 1 1 97 97 MET HE3 H 1 1.593 0.020 . 1 . . . . A 97 MET HE3 . 34379 1 1198 . 1 1 97 97 MET C C 13 176.090 0.300 . 1 . . . . A 97 MET C . 34379 1 1199 . 1 1 97 97 MET CA C 13 57.260 0.300 . 1 . . . . A 97 MET CA . 34379 1 1200 . 1 1 97 97 MET CB C 13 32.686 0.300 . 1 . . . . A 97 MET CB . 34379 1 1201 . 1 1 97 97 MET CG C 13 33.337 0.300 . 1 . . . . A 97 MET CG . 34379 1 1202 . 1 1 97 97 MET CE C 13 17.242 0.300 . 1 . . . . A 97 MET CE . 34379 1 1203 . 1 1 97 97 MET N N 15 125.337 0.300 . 1 . . . . A 97 MET N . 34379 1 1204 . 1 1 98 98 THR H H 1 10.154 0.020 . 1 . . . . A 98 THR H . 34379 1 1205 . 1 1 98 98 THR HA H 1 4.549 0.020 . 1 . . . . A 98 THR HA . 34379 1 1206 . 1 1 98 98 THR HB H 1 4.205 0.020 . 1 . . . . A 98 THR HB . 34379 1 1207 . 1 1 98 98 THR HG21 H 1 1.316 0.020 . 1 . . . . A 98 THR HG21 . 34379 1 1208 . 1 1 98 98 THR HG22 H 1 1.316 0.020 . 1 . . . . A 98 THR HG22 . 34379 1 1209 . 1 1 98 98 THR HG23 H 1 1.316 0.020 . 1 . . . . A 98 THR HG23 . 34379 1 1210 . 1 1 98 98 THR C C 13 173.850 0.300 . 1 . . . . A 98 THR C . 34379 1 1211 . 1 1 98 98 THR CA C 13 62.857 0.300 . 1 . . . . A 98 THR CA . 34379 1 1212 . 1 1 98 98 THR CB C 13 71.000 0.300 . 1 . . . . A 98 THR CB . 34379 1 1213 . 1 1 98 98 THR CG2 C 13 22.717 0.300 . 1 . . . . A 98 THR CG2 . 34379 1 1214 . 1 1 98 98 THR N N 15 121.047 0.300 . 1 . . . . A 98 THR N . 34379 1 1215 . 1 1 99 99 SER H H 1 7.822 0.020 . 1 . . . . A 99 SER H . 34379 1 1216 . 1 1 99 99 SER HA H 1 4.617 0.020 . 1 . . . . A 99 SER HA . 34379 1 1217 . 1 1 99 99 SER HB2 H 1 3.586 0.020 . 2 . . . . A 99 SER HB2 . 34379 1 1218 . 1 1 99 99 SER HB3 H 1 3.715 0.020 . 2 . . . . A 99 SER HB3 . 34379 1 1219 . 1 1 99 99 SER CA C 13 58.261 0.300 . 1 . . . . A 99 SER CA . 34379 1 1220 . 1 1 99 99 SER CB C 13 64.900 0.300 . 1 . . . . A 99 SER CB . 34379 1 1221 . 1 1 99 99 SER N N 15 115.147 0.300 . 1 . . . . A 99 SER N . 34379 1 1222 . 1 1 100 100 ILE H H 1 8.110 0.020 . 1 . . . . A 100 ILE H . 34379 1 1223 . 1 1 100 100 ILE HA H 1 4.695 0.020 . 1 . . . . A 100 ILE HA . 34379 1 1224 . 1 1 100 100 ILE HB H 1 1.367 0.020 . 1 . . . . A 100 ILE HB . 34379 1 1225 . 1 1 100 100 ILE HG12 H 1 0.883 0.020 . 2 . . . . A 100 ILE HG12 . 34379 1 1226 . 1 1 100 100 ILE HG13 H 1 1.245 0.020 . 2 . . . . A 100 ILE HG13 . 34379 1 1227 . 1 1 100 100 ILE HG21 H 1 0.030 0.020 . 1 . . . . A 100 ILE HG21 . 34379 1 1228 . 1 1 100 100 ILE HG22 H 1 0.030 0.020 . 1 . . . . A 100 ILE HG22 . 34379 1 1229 . 1 1 100 100 ILE HG23 H 1 0.030 0.020 . 1 . . . . A 100 ILE HG23 . 34379 1 1230 . 1 1 100 100 ILE HD11 H 1 0.744 0.020 . 1 . . . . A 100 ILE HD11 . 34379 1 1231 . 1 1 100 100 ILE HD12 H 1 0.744 0.020 . 1 . . . . A 100 ILE HD12 . 34379 1 1232 . 1 1 100 100 ILE HD13 H 1 0.744 0.020 . 1 . . . . A 100 ILE HD13 . 34379 1 1233 . 1 1 100 100 ILE C C 13 175.820 0.300 . 1 . . . . A 100 ILE C . 34379 1 1234 . 1 1 100 100 ILE CA C 13 61.293 0.300 . 1 . . . . A 100 ILE CA . 34379 1 1235 . 1 1 100 100 ILE CB C 13 41.616 0.300 . 1 . . . . A 100 ILE CB . 34379 1 1236 . 1 1 100 100 ILE CG1 C 13 27.638 0.300 . 1 . . . . A 100 ILE CG1 . 34379 1 1237 . 1 1 100 100 ILE CG2 C 13 16.824 0.300 . 1 . . . . A 100 ILE CG2 . 34379 1 1238 . 1 1 100 100 ILE CD1 C 13 14.579 0.300 . 1 . . . . A 100 ILE CD1 . 34379 1 1239 . 1 1 100 100 ILE N N 15 125.477 0.300 . 1 . . . . A 100 ILE N . 34379 1 1240 . 1 1 101 101 ARG H H 1 8.767 0.020 . 1 . . . . A 101 ARG H . 34379 1 1241 . 1 1 101 101 ARG HA H 1 4.671 0.020 . 1 . . . . A 101 ARG HA . 34379 1 1242 . 1 1 101 101 ARG HB2 H 1 1.693 0.020 . 2 . . . . A 101 ARG HB2 . 34379 1 1243 . 1 1 101 101 ARG HB3 H 1 1.564 0.020 . 2 . . . . A 101 ARG HB3 . 34379 1 1244 . 1 1 101 101 ARG HG2 H 1 1.262 0.020 . 2 . . . . A 101 ARG HG2 . 34379 1 1245 . 1 1 101 101 ARG HG3 H 1 1.459 0.020 . 2 . . . . A 101 ARG HG3 . 34379 1 1246 . 1 1 101 101 ARG HD2 H 1 2.941 0.020 . 2 . . . . A 101 ARG HD2 . 34379 1 1247 . 1 1 101 101 ARG HD3 H 1 3.045 0.020 . 2 . . . . A 101 ARG HD3 . 34379 1 1248 . 1 1 101 101 ARG C C 13 173.570 0.300 . 1 . . . . A 101 ARG C . 34379 1 1249 . 1 1 101 101 ARG CA C 13 54.854 0.300 . 1 . . . . A 101 ARG CA . 34379 1 1250 . 1 1 101 101 ARG CB C 13 34.272 0.300 . 1 . . . . A 101 ARG CB . 34379 1 1251 . 1 1 101 101 ARG CG C 13 26.655 0.300 . 1 . . . . A 101 ARG CG . 34379 1 1252 . 1 1 101 101 ARG CD C 13 43.893 0.300 . 1 . . . . A 101 ARG CD . 34379 1 1253 . 1 1 101 101 ARG N N 15 124.902 0.300 . 1 . . . . A 101 ARG N . 34379 1 1254 . 1 1 102 102 ASP H H 1 8.344 0.020 . 1 . . . . A 102 ASP H . 34379 1 1255 . 1 1 102 102 ASP HA H 1 5.446 0.020 . 1 . . . . A 102 ASP HA . 34379 1 1256 . 1 1 102 102 ASP HB2 H 1 2.495 0.020 . 1 . . . . A 102 ASP HB2 . 34379 1 1257 . 1 1 102 102 ASP HB3 H 1 2.495 0.020 . 1 . . . . A 102 ASP HB3 . 34379 1 1258 . 1 1 102 102 ASP C C 13 175.910 0.300 . 1 . . . . A 102 ASP C . 34379 1 1259 . 1 1 102 102 ASP CA C 13 53.596 0.300 . 1 . . . . A 102 ASP CA . 34379 1 1260 . 1 1 102 102 ASP CB C 13 42.361 0.300 . 1 . . . . A 102 ASP CB . 34379 1 1261 . 1 1 102 102 ASP N N 15 121.173 0.300 . 1 . . . . A 102 ASP N . 34379 1 1262 . 1 1 103 103 VAL H H 1 8.947 0.020 . 1 . . . . A 103 VAL H . 34379 1 1263 . 1 1 103 103 VAL HA H 1 4.813 0.020 . 1 . . . . A 103 VAL HA . 34379 1 1264 . 1 1 103 103 VAL HB H 1 2.715 0.020 . 1 . . . . A 103 VAL HB . 34379 1 1265 . 1 1 103 103 VAL HG11 H 1 0.743 0.020 . 2 . . . . A 103 VAL HG11 . 34379 1 1266 . 1 1 103 103 VAL HG12 H 1 0.743 0.020 . 2 . . . . A 103 VAL HG12 . 34379 1 1267 . 1 1 103 103 VAL HG13 H 1 0.743 0.020 . 2 . . . . A 103 VAL HG13 . 34379 1 1268 . 1 1 103 103 VAL HG21 H 1 0.795 0.020 . 2 . . . . A 103 VAL HG21 . 34379 1 1269 . 1 1 103 103 VAL HG22 H 1 0.795 0.020 . 2 . . . . A 103 VAL HG22 . 34379 1 1270 . 1 1 103 103 VAL HG23 H 1 0.795 0.020 . 2 . . . . A 103 VAL HG23 . 34379 1 1271 . 1 1 103 103 VAL CA C 13 59.208 0.300 . 1 . . . . A 103 VAL CA . 34379 1 1272 . 1 1 103 103 VAL CB C 13 35.163 0.300 . 1 . . . . A 103 VAL CB . 34379 1 1273 . 1 1 103 103 VAL CG1 C 13 19.866 0.300 . 1 . . . . A 103 VAL CG1 . 34379 1 1274 . 1 1 103 103 VAL CG2 C 13 21.851 0.300 . 1 . . . . A 103 VAL CG2 . 34379 1 1275 . 1 1 103 103 VAL N N 15 115.604 0.300 . 1 . . . . A 103 VAL N . 34379 1 1276 . 1 1 104 104 LYS H H 1 8.982 0.020 . 1 . . . . A 104 LYS H . 34379 1 1277 . 1 1 104 104 LYS HA H 1 4.771 0.020 . 1 . . . . A 104 LYS HA . 34379 1 1278 . 1 1 104 104 LYS HB2 H 1 1.685 0.020 . 2 . . . . A 104 LYS HB2 . 34379 1 1279 . 1 1 104 104 LYS HB3 H 1 1.925 0.020 . 2 . . . . A 104 LYS HB3 . 34379 1 1280 . 1 1 104 104 LYS HG2 H 1 1.643 0.020 . 2 . . . . A 104 LYS HG2 . 34379 1 1281 . 1 1 104 104 LYS HG3 H 1 1.561 0.020 . 2 . . . . A 104 LYS HG3 . 34379 1 1282 . 1 1 104 104 LYS HD2 H 1 1.711 0.020 . 2 . . . . A 104 LYS HD2 . 34379 1 1283 . 1 1 104 104 LYS HD3 H 1 1.755 0.020 . 2 . . . . A 104 LYS HD3 . 34379 1 1284 . 1 1 104 104 LYS HE2 H 1 3.021 0.020 . 1 . . . . A 104 LYS HE2 . 34379 1 1285 . 1 1 104 104 LYS HE3 H 1 3.021 0.020 . 1 . . . . A 104 LYS HE3 . 34379 1 1286 . 1 1 104 104 LYS CA C 13 54.856 0.300 . 1 . . . . A 104 LYS CA . 34379 1 1287 . 1 1 104 104 LYS CB C 13 32.389 0.300 . 1 . . . . A 104 LYS CB . 34379 1 1288 . 1 1 104 104 LYS CG C 13 25.364 0.300 . 1 . . . . A 104 LYS CG . 34379 1 1289 . 1 1 104 104 LYS CD C 13 29.366 0.300 . 1 . . . . A 104 LYS CD . 34379 1 1290 . 1 1 104 104 LYS CE C 13 42.041 0.300 . 1 . . . . A 104 LYS CE . 34379 1 1291 . 1 1 104 104 LYS N N 15 120.752 0.300 . 1 . . . . A 104 LYS N . 34379 1 1292 . 1 1 105 105 PRO HA H 1 4.019 0.020 . 1 . . . . A 105 PRO HA . 34379 1 1293 . 1 1 105 105 PRO HB2 H 1 2.350 0.020 . 2 . . . . A 105 PRO HB2 . 34379 1 1294 . 1 1 105 105 PRO HB3 H 1 1.995 0.020 . 2 . . . . A 105 PRO HB3 . 34379 1 1295 . 1 1 105 105 PRO HG2 H 1 1.907 0.020 . 2 . . . . A 105 PRO HG2 . 34379 1 1296 . 1 1 105 105 PRO HG3 H 1 2.226 0.020 . 2 . . . . A 105 PRO HG3 . 34379 1 1297 . 1 1 105 105 PRO HD2 H 1 3.824 0.020 . 1 . . . . A 105 PRO HD2 . 34379 1 1298 . 1 1 105 105 PRO CA C 13 65.290 0.300 . 1 . . . . A 105 PRO CA . 34379 1 1299 . 1 1 105 105 PRO CB C 13 32.538 0.300 . 1 . . . . A 105 PRO CB . 34379 1 1300 . 1 1 105 105 PRO CG C 13 28.555 0.300 . 1 . . . . A 105 PRO CG . 34379 1 1301 . 1 1 105 105 PRO CD C 13 50.168 0.300 . 1 . . . . A 105 PRO CD . 34379 1 1302 . 1 1 106 106 THR H H 1 6.730 0.020 . 1 . . . . A 106 THR H . 34379 1 1303 . 1 1 106 106 THR HA H 1 4.191 0.020 . 1 . . . . A 106 THR HA . 34379 1 1304 . 1 1 106 106 THR HB H 1 4.570 0.020 . 1 . . . . A 106 THR HB . 34379 1 1305 . 1 1 106 106 THR HG21 H 1 1.210 0.020 . 1 . . . . A 106 THR HG21 . 34379 1 1306 . 1 1 106 106 THR HG22 H 1 1.210 0.020 . 1 . . . . A 106 THR HG22 . 34379 1 1307 . 1 1 106 106 THR HG23 H 1 1.210 0.020 . 1 . . . . A 106 THR HG23 . 34379 1 1308 . 1 1 106 106 THR C C 13 175.040 0.300 . 1 . . . . A 106 THR C . 34379 1 1309 . 1 1 106 106 THR CA C 13 61.113 0.300 . 1 . . . . A 106 THR CA . 34379 1 1310 . 1 1 106 106 THR CB C 13 68.840 0.300 . 1 . . . . A 106 THR CB . 34379 1 1311 . 1 1 106 106 THR CG2 C 13 22.396 0.300 . 1 . . . . A 106 THR CG2 . 34379 1 1312 . 1 1 106 106 THR N N 15 100.213 0.300 . 1 . . . . A 106 THR N . 34379 1 1313 . 1 1 107 107 ASP H H 1 7.668 0.020 . 1 . . . . A 107 ASP H . 34379 1 1314 . 1 1 107 107 ASP HA H 1 4.920 0.020 . 1 . . . . A 107 ASP HA . 34379 1 1315 . 1 1 107 107 ASP HB2 H 1 2.755 0.020 . 2 . . . . A 107 ASP HB2 . 34379 1 1316 . 1 1 107 107 ASP HB3 H 1 2.895 0.020 . 2 . . . . A 107 ASP HB3 . 34379 1 1317 . 1 1 107 107 ASP C C 13 176.660 0.300 . 1 . . . . A 107 ASP C . 34379 1 1318 . 1 1 107 107 ASP CA C 13 54.636 0.300 . 1 . . . . A 107 ASP CA . 34379 1 1319 . 1 1 107 107 ASP CB C 13 39.695 0.300 . 1 . . . . A 107 ASP CB . 34379 1 1320 . 1 1 107 107 ASP N N 15 125.503 0.300 . 1 . . . . A 107 ASP N . 34379 1 1321 . 1 1 108 108 VAL H H 1 8.020 0.020 . 1 . . . . A 108 VAL H . 34379 1 1322 . 1 1 108 108 VAL HA H 1 3.948 0.020 . 1 . . . . A 108 VAL HA . 34379 1 1323 . 1 1 108 108 VAL HB H 1 2.317 0.020 . 1 . . . . A 108 VAL HB . 34379 1 1324 . 1 1 108 108 VAL HG11 H 1 0.898 0.020 . 2 . . . . A 108 VAL HG11 . 34379 1 1325 . 1 1 108 108 VAL HG12 H 1 0.898 0.020 . 2 . . . . A 108 VAL HG12 . 34379 1 1326 . 1 1 108 108 VAL HG13 H 1 0.898 0.020 . 2 . . . . A 108 VAL HG13 . 34379 1 1327 . 1 1 108 108 VAL HG21 H 1 0.939 0.020 . 2 . . . . A 108 VAL HG21 . 34379 1 1328 . 1 1 108 108 VAL HG22 H 1 0.939 0.020 . 2 . . . . A 108 VAL HG22 . 34379 1 1329 . 1 1 108 108 VAL HG23 H 1 0.939 0.020 . 2 . . . . A 108 VAL HG23 . 34379 1 1330 . 1 1 108 108 VAL C C 13 177.490 0.300 . 1 . . . . A 108 VAL C . 34379 1 1331 . 1 1 108 108 VAL CA C 13 63.166 0.300 . 1 . . . . A 108 VAL CA . 34379 1 1332 . 1 1 108 108 VAL CB C 13 31.625 0.300 . 1 . . . . A 108 VAL CB . 34379 1 1333 . 1 1 108 108 VAL CG1 C 13 18.953 0.300 . 1 . . . . A 108 VAL CG1 . 34379 1 1334 . 1 1 108 108 VAL CG2 C 13 21.874 0.300 . 1 . . . . A 108 VAL CG2 . 34379 1 1335 . 1 1 108 108 VAL N N 15 117.011 0.300 . 1 . . . . A 108 VAL N . 34379 1 1336 . 1 1 109 109 GLU H H 1 9.213 0.020 . 1 . . . . A 109 GLU H . 34379 1 1337 . 1 1 109 109 GLU HA H 1 4.202 0.020 . 1 . . . . A 109 GLU HA . 34379 1 1338 . 1 1 109 109 GLU HB2 H 1 2.056 0.020 . 1 . . . . A 109 GLU HB2 . 34379 1 1339 . 1 1 109 109 GLU HB3 H 1 2.056 0.020 . 1 . . . . A 109 GLU HB3 . 34379 1 1340 . 1 1 109 109 GLU HG2 H 1 2.256 0.020 . 1 . . . . A 109 GLU HG2 . 34379 1 1341 . 1 1 109 109 GLU HG3 H 1 2.256 0.020 . 1 . . . . A 109 GLU HG3 . 34379 1 1342 . 1 1 109 109 GLU C C 13 176.140 0.300 . 1 . . . . A 109 GLU C . 34379 1 1343 . 1 1 109 109 GLU CA C 13 58.676 0.300 . 1 . . . . A 109 GLU CA . 34379 1 1344 . 1 1 109 109 GLU CB C 13 28.545 0.300 . 1 . . . . A 109 GLU CB . 34379 1 1345 . 1 1 109 109 GLU CG C 13 36.433 0.300 . 1 . . . . A 109 GLU CG . 34379 1 1346 . 1 1 109 109 GLU N N 15 124.502 0.300 . 1 . . . . A 109 GLU N . 34379 1 1347 . 1 1 110 110 VAL H H 1 7.157 0.020 . 1 . . . . A 110 VAL H . 34379 1 1348 . 1 1 110 110 VAL HA H 1 3.902 0.020 . 1 . . . . A 110 VAL HA . 34379 1 1349 . 1 1 110 110 VAL HB H 1 2.156 0.020 . 1 . . . . A 110 VAL HB . 34379 1 1350 . 1 1 110 110 VAL HG11 H 1 0.825 0.020 . 2 . . . . A 110 VAL HG11 . 34379 1 1351 . 1 1 110 110 VAL HG12 H 1 0.825 0.020 . 2 . . . . A 110 VAL HG12 . 34379 1 1352 . 1 1 110 110 VAL HG13 H 1 0.825 0.020 . 2 . . . . A 110 VAL HG13 . 34379 1 1353 . 1 1 110 110 VAL HG21 H 1 0.969 0.020 . 2 . . . . A 110 VAL HG21 . 34379 1 1354 . 1 1 110 110 VAL HG22 H 1 0.969 0.020 . 2 . . . . A 110 VAL HG22 . 34379 1 1355 . 1 1 110 110 VAL HG23 H 1 0.969 0.020 . 2 . . . . A 110 VAL HG23 . 34379 1 1356 . 1 1 110 110 VAL C C 13 176.870 0.300 . 1 . . . . A 110 VAL C . 34379 1 1357 . 1 1 110 110 VAL CA C 13 63.704 0.300 . 1 . . . . A 110 VAL CA . 34379 1 1358 . 1 1 110 110 VAL CB C 13 31.396 0.300 . 1 . . . . A 110 VAL CB . 34379 1 1359 . 1 1 110 110 VAL CG1 C 13 18.797 0.300 . 1 . . . . A 110 VAL CG1 . 34379 1 1360 . 1 1 110 110 VAL CG2 C 13 21.800 0.300 . 1 . . . . A 110 VAL CG2 . 34379 1 1361 . 1 1 110 110 VAL N N 15 113.228 0.300 . 1 . . . . A 110 VAL N . 34379 1 1362 . 1 1 111 111 LEU H H 1 7.465 0.020 . 1 . . . . A 111 LEU H . 34379 1 1363 . 1 1 111 111 LEU HA H 1 4.220 0.020 . 1 . . . . A 111 LEU HA . 34379 1 1364 . 1 1 111 111 LEU HB2 H 1 1.583 0.020 . 2 . . . . A 111 LEU HB2 . 34379 1 1365 . 1 1 111 111 LEU HB3 H 1 1.747 0.020 . 2 . . . . A 111 LEU HB3 . 34379 1 1366 . 1 1 111 111 LEU HG H 1 1.465 0.020 . 1 . . . . A 111 LEU HG . 34379 1 1367 . 1 1 111 111 LEU HD11 H 1 0.820 0.020 . 2 . . . . A 111 LEU HD11 . 34379 1 1368 . 1 1 111 111 LEU HD12 H 1 0.820 0.020 . 2 . . . . A 111 LEU HD12 . 34379 1 1369 . 1 1 111 111 LEU HD13 H 1 0.820 0.020 . 2 . . . . A 111 LEU HD13 . 34379 1 1370 . 1 1 111 111 LEU HD21 H 1 0.726 0.020 . 2 . . . . A 111 LEU HD21 . 34379 1 1371 . 1 1 111 111 LEU HD22 H 1 0.726 0.020 . 2 . . . . A 111 LEU HD22 . 34379 1 1372 . 1 1 111 111 LEU HD23 H 1 0.726 0.020 . 2 . . . . A 111 LEU HD23 . 34379 1 1373 . 1 1 111 111 LEU C C 13 178.110 0.300 . 1 . . . . A 111 LEU C . 34379 1 1374 . 1 1 111 111 LEU CA C 13 54.904 0.300 . 1 . . . . A 111 LEU CA . 34379 1 1375 . 1 1 111 111 LEU CB C 13 41.757 0.300 . 1 . . . . A 111 LEU CB . 34379 1 1376 . 1 1 111 111 LEU CG C 13 27.368 0.300 . 1 . . . . A 111 LEU CG . 34379 1 1377 . 1 1 111 111 LEU CD1 C 13 25.423 0.300 . 1 . . . . A 111 LEU CD1 . 34379 1 1378 . 1 1 111 111 LEU CD2 C 13 22.897 0.300 . 1 . . . . A 111 LEU CD2 . 34379 1 1379 . 1 1 111 111 LEU N N 15 116.705 0.300 . 1 . . . . A 111 LEU N . 34379 1 1380 . 1 1 112 112 ASP H H 1 7.525 0.020 . 1 . . . . A 112 ASP H . 34379 1 1381 . 1 1 112 112 ASP HA H 1 4.568 0.020 . 1 . . . . A 112 ASP HA . 34379 1 1382 . 1 1 112 112 ASP HB2 H 1 2.709 0.020 . 1 . . . . A 112 ASP HB2 . 34379 1 1383 . 1 1 112 112 ASP HB3 H 1 2.709 0.020 . 1 . . . . A 112 ASP HB3 . 34379 1 1384 . 1 1 112 112 ASP C C 13 177.040 0.300 . 1 . . . . A 112 ASP C . 34379 1 1385 . 1 1 112 112 ASP CA C 13 55.114 0.300 . 1 . . . . A 112 ASP CA . 34379 1 1386 . 1 1 112 112 ASP CB C 13 41.330 0.300 . 1 . . . . A 112 ASP CB . 34379 1 1387 . 1 1 112 112 ASP N N 15 120.897 0.300 . 1 . . . . A 112 ASP N . 34379 1 1388 . 1 1 113 113 GLU H H 1 8.768 0.020 . 1 . . . . A 113 GLU H . 34379 1 1389 . 1 1 113 113 GLU HA H 1 4.662 0.020 . 1 . . . . A 113 GLU HA . 34379 1 1390 . 1 1 113 113 GLU HB2 H 1 2.022 0.020 . 2 . . . . A 113 GLU HB2 . 34379 1 1391 . 1 1 113 113 GLU HB3 H 1 1.881 0.020 . 2 . . . . A 113 GLU HB3 . 34379 1 1392 . 1 1 113 113 GLU HG2 H 1 2.404 0.020 . 2 . . . . A 113 GLU HG2 . 34379 1 1393 . 1 1 113 113 GLU HG3 H 1 2.270 0.020 . 2 . . . . A 113 GLU HG3 . 34379 1 1394 . 1 1 113 113 GLU C C 13 177.250 0.300 . 1 . . . . A 113 GLU C . 34379 1 1395 . 1 1 113 113 GLU CA C 13 56.096 0.300 . 1 . . . . A 113 GLU CA . 34379 1 1396 . 1 1 113 113 GLU CB C 13 31.839 0.300 . 1 . . . . A 113 GLU CB . 34379 1 1397 . 1 1 113 113 GLU CG C 13 36.560 0.300 . 1 . . . . A 113 GLU CG . 34379 1 1398 . 1 1 113 113 GLU N N 15 120.930 0.300 . 1 . . . . A 113 GLU N . 34379 1 1399 . 1 1 114 114 GLN H H 1 8.540 0.020 . 1 . . . . A 114 GLN H . 34379 1 1400 . 1 1 114 114 GLN HA H 1 4.341 0.020 . 1 . . . . A 114 GLN HA . 34379 1 1401 . 1 1 114 114 GLN HB2 H 1 1.728 0.020 . 2 . . . . A 114 GLN HB2 . 34379 1 1402 . 1 1 114 114 GLN HB3 H 1 1.849 0.020 . 2 . . . . A 114 GLN HB3 . 34379 1 1403 . 1 1 114 114 GLN HG2 H 1 2.216 0.020 . 2 . . . . A 114 GLN HG2 . 34379 1 1404 . 1 1 114 114 GLN HG3 H 1 2.256 0.020 . 2 . . . . A 114 GLN HG3 . 34379 1 1405 . 1 1 114 114 GLN HE21 H 1 6.784 0.020 . 1 . . . . A 114 GLN HE21 . 34379 1 1406 . 1 1 114 114 GLN HE22 H 1 7.312 0.020 . 1 . . . . A 114 GLN HE22 . 34379 1 1407 . 1 1 114 114 GLN C C 13 175.220 0.300 . 1 . . . . A 114 GLN C . 34379 1 1408 . 1 1 114 114 GLN CA C 13 53.612 0.300 . 1 . . . . A 114 GLN CA . 34379 1 1409 . 1 1 114 114 GLN CB C 13 28.425 0.300 . 1 . . . . A 114 GLN CB . 34379 1 1410 . 1 1 114 114 GLN CG C 13 33.257 0.300 . 1 . . . . A 114 GLN CG . 34379 1 1411 . 1 1 114 114 GLN N N 15 124.216 0.300 . 1 . . . . A 114 GLN N . 34379 1 1412 . 1 1 114 114 GLN NE2 N 15 113.684 0.300 . 1 . . . . A 114 GLN NE2 . 34379 1 1413 . 1 1 115 115 LYS H H 1 8.213 0.020 . 1 . . . . A 115 LYS H . 34379 1 1414 . 1 1 115 115 LYS HA H 1 3.986 0.020 . 1 . . . . A 115 LYS HA . 34379 1 1415 . 1 1 115 115 LYS HB2 H 1 1.733 0.020 . 1 . . . . A 115 LYS HB2 . 34379 1 1416 . 1 1 115 115 LYS HB3 H 1 1.733 0.020 . 1 . . . . A 115 LYS HB3 . 34379 1 1417 . 1 1 115 115 LYS HG2 H 1 1.443 0.020 . 2 . . . . A 115 LYS HG2 . 34379 1 1418 . 1 1 115 115 LYS HG3 H 1 1.376 0.020 . 2 . . . . A 115 LYS HG3 . 34379 1 1419 . 1 1 115 115 LYS HD2 H 1 1.645 0.020 . 1 . . . . A 115 LYS HD2 . 34379 1 1420 . 1 1 115 115 LYS HD3 H 1 1.645 0.020 . 1 . . . . A 115 LYS HD3 . 34379 1 1421 . 1 1 115 115 LYS HE2 H 1 2.961 0.020 . 1 . . . . A 115 LYS HE2 . 34379 1 1422 . 1 1 115 115 LYS HE3 H 1 2.961 0.020 . 1 . . . . A 115 LYS HE3 . 34379 1 1423 . 1 1 115 115 LYS CA C 13 57.954 0.300 . 1 . . . . A 115 LYS CA . 34379 1 1424 . 1 1 115 115 LYS CB C 13 32.434 0.300 . 1 . . . . A 115 LYS CB . 34379 1 1425 . 1 1 115 115 LYS CG C 13 24.990 0.300 . 1 . . . . A 115 LYS CG . 34379 1 1426 . 1 1 115 115 LYS CD C 13 29.185 0.300 . 1 . . . . A 115 LYS CD . 34379 1 1427 . 1 1 115 115 LYS CE C 13 42.450 0.300 . 1 . . . . A 115 LYS CE . 34379 1 1428 . 1 1 115 115 LYS N N 15 121.940 0.300 . 1 . . . . A 115 LYS N . 34379 1 1429 . 1 1 116 116 GLY H H 1 8.739 0.020 . 1 . . . . A 116 GLY H . 34379 1 1430 . 1 1 116 116 GLY HA2 H 1 4.093 0.020 . 2 . . . . A 116 GLY HA2 . 34379 1 1431 . 1 1 116 116 GLY HA3 H 1 3.759 0.020 . 2 . . . . A 116 GLY HA3 . 34379 1 1432 . 1 1 116 116 GLY C C 13 174.220 0.300 . 1 . . . . A 116 GLY C . 34379 1 1433 . 1 1 116 116 GLY CA C 13 45.554 0.300 . 1 . . . . A 116 GLY CA . 34379 1 1434 . 1 1 116 116 GLY N N 15 111.697 0.300 . 1 . . . . A 116 GLY N . 34379 1 1435 . 1 1 117 117 LYS H H 1 7.517 0.020 . 1 . . . . A 117 LYS H . 34379 1 1436 . 1 1 117 117 LYS HA H 1 4.478 0.020 . 1 . . . . A 117 LYS HA . 34379 1 1437 . 1 1 117 117 LYS HB2 H 1 1.917 0.020 . 2 . . . . A 117 LYS HB2 . 34379 1 1438 . 1 1 117 117 LYS HB3 H 1 1.800 0.020 . 2 . . . . A 117 LYS HB3 . 34379 1 1439 . 1 1 117 117 LYS HG2 H 1 1.375 0.020 . 2 . . . . A 117 LYS HG2 . 34379 1 1440 . 1 1 117 117 LYS HG3 H 1 1.250 0.020 . 2 . . . . A 117 LYS HG3 . 34379 1 1441 . 1 1 117 117 LYS HD2 H 1 1.584 0.020 . 1 . . . . A 117 LYS HD2 . 34379 1 1442 . 1 1 117 117 LYS HD3 H 1 1.584 0.020 . 1 . . . . A 117 LYS HD3 . 34379 1 1443 . 1 1 117 117 LYS HE2 H 1 2.959 0.020 . 1 . . . . A 117 LYS HE2 . 34379 1 1444 . 1 1 117 117 LYS HE3 H 1 2.959 0.020 . 1 . . . . A 117 LYS HE3 . 34379 1 1445 . 1 1 117 117 LYS C C 13 176.280 0.300 . 1 . . . . A 117 LYS C . 34379 1 1446 . 1 1 117 117 LYS CA C 13 55.153 0.300 . 1 . . . . A 117 LYS CA . 34379 1 1447 . 1 1 117 117 LYS CB C 13 33.998 0.300 . 1 . . . . A 117 LYS CB . 34379 1 1448 . 1 1 117 117 LYS CG C 13 25.331 0.300 . 1 . . . . A 117 LYS CG . 34379 1 1449 . 1 1 117 117 LYS CD C 13 28.789 0.300 . 1 . . . . A 117 LYS CD . 34379 1 1450 . 1 1 117 117 LYS CE C 13 42.420 0.300 . 1 . . . . A 117 LYS CE . 34379 1 1451 . 1 1 117 117 LYS N N 15 119.065 0.300 . 1 . . . . A 117 LYS N . 34379 1 1452 . 1 1 118 118 ASP H H 1 8.159 0.020 . 1 . . . . A 118 ASP H . 34379 1 1453 . 1 1 118 118 ASP HA H 1 4.568 0.020 . 1 . . . . A 118 ASP HA . 34379 1 1454 . 1 1 118 118 ASP HB2 H 1 2.470 0.020 . 2 . . . . A 118 ASP HB2 . 34379 1 1455 . 1 1 118 118 ASP HB3 H 1 2.925 0.020 . 2 . . . . A 118 ASP HB3 . 34379 1 1456 . 1 1 118 118 ASP C C 13 176.570 0.300 . 1 . . . . A 118 ASP C . 34379 1 1457 . 1 1 118 118 ASP CA C 13 54.926 0.300 . 1 . . . . A 118 ASP CA . 34379 1 1458 . 1 1 118 118 ASP CB C 13 41.762 0.300 . 1 . . . . A 118 ASP CB . 34379 1 1459 . 1 1 118 118 ASP N N 15 119.532 0.300 . 1 . . . . A 118 ASP N . 34379 1 1460 . 1 1 119 119 LYS H H 1 8.894 0.020 . 1 . . . . A 119 LYS H . 34379 1 1461 . 1 1 119 119 LYS HA H 1 4.636 0.020 . 1 . . . . A 119 LYS HA . 34379 1 1462 . 1 1 119 119 LYS HB2 H 1 1.863 0.020 . 2 . . . . A 119 LYS HB2 . 34379 1 1463 . 1 1 119 119 LYS HB3 H 1 2.423 0.020 . 2 . . . . A 119 LYS HB3 . 34379 1 1464 . 1 1 119 119 LYS HG2 H 1 1.542 0.020 . 2 . . . . A 119 LYS HG2 . 34379 1 1465 . 1 1 119 119 LYS HG3 H 1 1.795 0.020 . 2 . . . . A 119 LYS HG3 . 34379 1 1466 . 1 1 119 119 LYS HD2 H 1 1.797 0.020 . 1 . . . . A 119 LYS HD2 . 34379 1 1467 . 1 1 119 119 LYS HD3 H 1 1.797 0.020 . 1 . . . . A 119 LYS HD3 . 34379 1 1468 . 1 1 119 119 LYS HE2 H 1 2.914 0.020 . 2 . . . . A 119 LYS HE2 . 34379 1 1469 . 1 1 119 119 LYS HE3 H 1 3.011 0.020 . 2 . . . . A 119 LYS HE3 . 34379 1 1470 . 1 1 119 119 LYS C C 13 175.840 0.300 . 1 . . . . A 119 LYS C . 34379 1 1471 . 1 1 119 119 LYS CA C 13 58.122 0.300 . 1 . . . . A 119 LYS CA . 34379 1 1472 . 1 1 119 119 LYS CB C 13 33.142 0.300 . 1 . . . . A 119 LYS CB . 34379 1 1473 . 1 1 119 119 LYS CG C 13 26.871 0.300 . 1 . . . . A 119 LYS CG . 34379 1 1474 . 1 1 119 119 LYS CD C 13 29.690 0.300 . 1 . . . . A 119 LYS CD . 34379 1 1475 . 1 1 119 119 LYS CE C 13 42.715 0.300 . 1 . . . . A 119 LYS CE . 34379 1 1476 . 1 1 119 119 LYS N N 15 121.897 0.300 . 1 . . . . A 119 LYS N . 34379 1 1477 . 1 1 120 120 GLN H H 1 9.558 0.020 . 1 . . . . A 120 GLN H . 34379 1 1478 . 1 1 120 120 GLN HA H 1 5.757 0.020 . 1 . . . . A 120 GLN HA . 34379 1 1479 . 1 1 120 120 GLN HB2 H 1 1.936 0.020 . 1 . . . . A 120 GLN HB2 . 34379 1 1480 . 1 1 120 120 GLN HB3 H 1 1.936 0.020 . 1 . . . . A 120 GLN HB3 . 34379 1 1481 . 1 1 120 120 GLN HG2 H 1 2.036 0.020 . 2 . . . . A 120 GLN HG2 . 34379 1 1482 . 1 1 120 120 GLN HG3 H 1 2.453 0.020 . 2 . . . . A 120 GLN HG3 . 34379 1 1483 . 1 1 120 120 GLN HE21 H 1 6.487 0.020 . 1 . . . . A 120 GLN HE21 . 34379 1 1484 . 1 1 120 120 GLN HE22 H 1 6.241 0.020 . 1 . . . . A 120 GLN HE22 . 34379 1 1485 . 1 1 120 120 GLN C C 13 174.440 0.300 . 1 . . . . A 120 GLN C . 34379 1 1486 . 1 1 120 120 GLN CA C 13 53.945 0.300 . 1 . . . . A 120 GLN CA . 34379 1 1487 . 1 1 120 120 GLN CB C 13 34.573 0.300 . 1 . . . . A 120 GLN CB . 34379 1 1488 . 1 1 120 120 GLN CG C 13 33.195 0.300 . 1 . . . . A 120 GLN CG . 34379 1 1489 . 1 1 120 120 GLN N N 15 116.035 0.300 . 1 . . . . A 120 GLN N . 34379 1 1490 . 1 1 120 120 GLN NE2 N 15 112.928 0.300 . 1 . . . . A 120 GLN NE2 . 34379 1 1491 . 1 1 121 121 LEU H H 1 8.913 0.020 . 1 . . . . A 121 LEU H . 34379 1 1492 . 1 1 121 121 LEU HA H 1 5.294 0.020 . 1 . . . . A 121 LEU HA . 34379 1 1493 . 1 1 121 121 LEU HB2 H 1 0.833 0.020 . 1 . . . . A 121 LEU HB2 . 34379 1 1494 . 1 1 121 121 LEU HB3 H 1 0.833 0.020 . 1 . . . . A 121 LEU HB3 . 34379 1 1495 . 1 1 121 121 LEU HG H 1 0.127 0.020 . 1 . . . . A 121 LEU HG . 34379 1 1496 . 1 1 121 121 LEU HD11 H 1 0.282 0.020 . 2 . . . . A 121 LEU HD11 . 34379 1 1497 . 1 1 121 121 LEU HD12 H 1 0.282 0.020 . 2 . . . . A 121 LEU HD12 . 34379 1 1498 . 1 1 121 121 LEU HD13 H 1 0.282 0.020 . 2 . . . . A 121 LEU HD13 . 34379 1 1499 . 1 1 121 121 LEU HD21 H 1 0.002 0.020 . 2 . . . . A 121 LEU HD21 . 34379 1 1500 . 1 1 121 121 LEU HD22 H 1 0.002 0.020 . 2 . . . . A 121 LEU HD22 . 34379 1 1501 . 1 1 121 121 LEU HD23 H 1 0.002 0.020 . 2 . . . . A 121 LEU HD23 . 34379 1 1502 . 1 1 121 121 LEU C C 13 176.490 0.300 . 1 . . . . A 121 LEU C . 34379 1 1503 . 1 1 121 121 LEU CA C 13 52.780 0.300 . 1 . . . . A 121 LEU CA . 34379 1 1504 . 1 1 121 121 LEU CB C 13 45.535 0.300 . 1 . . . . A 121 LEU CB . 34379 1 1505 . 1 1 121 121 LEU CG C 13 25.899 0.300 . 1 . . . . A 121 LEU CG . 34379 1 1506 . 1 1 121 121 LEU CD1 C 13 23.909 0.300 . 1 . . . . A 121 LEU CD1 . 34379 1 1507 . 1 1 121 121 LEU CD2 C 13 26.753 0.300 . 1 . . . . A 121 LEU CD2 . 34379 1 1508 . 1 1 121 121 LEU N N 15 121.027 0.300 . 1 . . . . A 121 LEU N . 34379 1 1509 . 1 1 122 122 THR H H 1 8.928 0.020 . 1 . . . . A 122 THR H . 34379 1 1510 . 1 1 122 122 THR HA H 1 4.610 0.020 . 1 . . . . A 122 THR HA . 34379 1 1511 . 1 1 122 122 THR HB H 1 4.168 0.020 . 1 . . . . A 122 THR HB . 34379 1 1512 . 1 1 122 122 THR HG21 H 1 0.954 0.020 . 1 . . . . A 122 THR HG21 . 34379 1 1513 . 1 1 122 122 THR HG22 H 1 0.954 0.020 . 1 . . . . A 122 THR HG22 . 34379 1 1514 . 1 1 122 122 THR HG23 H 1 0.954 0.020 . 1 . . . . A 122 THR HG23 . 34379 1 1515 . 1 1 122 122 THR C C 13 173.350 0.300 . 1 . . . . A 122 THR C . 34379 1 1516 . 1 1 122 122 THR CA C 13 62.578 0.300 . 1 . . . . A 122 THR CA . 34379 1 1517 . 1 1 122 122 THR CB C 13 69.536 0.300 . 1 . . . . A 122 THR CB . 34379 1 1518 . 1 1 122 122 THR CG2 C 13 21.998 0.300 . 1 . . . . A 122 THR CG2 . 34379 1 1519 . 1 1 122 122 THR N N 15 119.848 0.300 . 1 . . . . A 122 THR N . 34379 1 1520 . 1 1 123 123 LEU H H 1 9.592 0.020 . 1 . . . . A 123 LEU H . 34379 1 1521 . 1 1 123 123 LEU HA H 1 5.412 0.020 . 1 . . . . A 123 LEU HA . 34379 1 1522 . 1 1 123 123 LEU HB2 H 1 1.820 0.020 . 2 . . . . A 123 LEU HB2 . 34379 1 1523 . 1 1 123 123 LEU HB3 H 1 0.778 0.020 . 2 . . . . A 123 LEU HB3 . 34379 1 1524 . 1 1 123 123 LEU HG H 1 1.463 0.020 . 1 . . . . A 123 LEU HG . 34379 1 1525 . 1 1 123 123 LEU HD11 H 1 0.458 0.020 . 2 . . . . A 123 LEU HD11 . 34379 1 1526 . 1 1 123 123 LEU HD12 H 1 0.458 0.020 . 2 . . . . A 123 LEU HD12 . 34379 1 1527 . 1 1 123 123 LEU HD13 H 1 0.458 0.020 . 2 . . . . A 123 LEU HD13 . 34379 1 1528 . 1 1 123 123 LEU HD21 H 1 0.313 0.020 . 2 . . . . A 123 LEU HD21 . 34379 1 1529 . 1 1 123 123 LEU HD22 H 1 0.313 0.020 . 2 . . . . A 123 LEU HD22 . 34379 1 1530 . 1 1 123 123 LEU HD23 H 1 0.313 0.020 . 2 . . . . A 123 LEU HD23 . 34379 1 1531 . 1 1 123 123 LEU C C 13 175.880 0.300 . 1 . . . . A 123 LEU C . 34379 1 1532 . 1 1 123 123 LEU CA C 13 52.945 0.300 . 1 . . . . A 123 LEU CA . 34379 1 1533 . 1 1 123 123 LEU CB C 13 41.323 0.300 . 1 . . . . A 123 LEU CB . 34379 1 1534 . 1 1 123 123 LEU CG C 13 27.320 0.300 . 1 . . . . A 123 LEU CG . 34379 1 1535 . 1 1 123 123 LEU CD1 C 13 24.900 0.300 . 1 . . . . A 123 LEU CD1 . 34379 1 1536 . 1 1 123 123 LEU CD2 C 13 25.911 0.300 . 1 . . . . A 123 LEU CD2 . 34379 1 1537 . 1 1 123 123 LEU N N 15 127.678 0.300 . 1 . . . . A 123 LEU N . 34379 1 1538 . 1 1 124 124 ILE H H 1 9.245 0.020 . 1 . . . . A 124 ILE H . 34379 1 1539 . 1 1 124 124 ILE HA H 1 4.972 0.020 . 1 . . . . A 124 ILE HA . 34379 1 1540 . 1 1 124 124 ILE HB H 1 1.555 0.020 . 1 . . . . A 124 ILE HB . 34379 1 1541 . 1 1 124 124 ILE HG12 H 1 0.737 0.020 . 2 . . . . A 124 ILE HG12 . 34379 1 1542 . 1 1 124 124 ILE HG13 H 1 0.811 0.020 . 2 . . . . A 124 ILE HG13 . 34379 1 1543 . 1 1 124 124 ILE HG21 H 1 0.834 0.020 . 1 . . . . A 124 ILE HG21 . 34379 1 1544 . 1 1 124 124 ILE HG22 H 1 0.834 0.020 . 1 . . . . A 124 ILE HG22 . 34379 1 1545 . 1 1 124 124 ILE HG23 H 1 0.834 0.020 . 1 . . . . A 124 ILE HG23 . 34379 1 1546 . 1 1 124 124 ILE HD11 H 1 0.737 0.020 . 1 . . . . A 124 ILE HD11 . 34379 1 1547 . 1 1 124 124 ILE HD12 H 1 0.737 0.020 . 1 . . . . A 124 ILE HD12 . 34379 1 1548 . 1 1 124 124 ILE HD13 H 1 0.737 0.020 . 1 . . . . A 124 ILE HD13 . 34379 1 1549 . 1 1 124 124 ILE C C 13 177.140 0.300 . 1 . . . . A 124 ILE C . 34379 1 1550 . 1 1 124 124 ILE CA C 13 61.125 0.300 . 1 . . . . A 124 ILE CA . 34379 1 1551 . 1 1 124 124 ILE CB C 13 42.363 0.300 . 1 . . . . A 124 ILE CB . 34379 1 1552 . 1 1 124 124 ILE CG1 C 13 28.147 0.300 . 1 . . . . A 124 ILE CG1 . 34379 1 1553 . 1 1 124 124 ILE CG2 C 13 18.075 0.300 . 1 . . . . A 124 ILE CG2 . 34379 1 1554 . 1 1 124 124 ILE CD1 C 13 15.479 0.300 . 1 . . . . A 124 ILE CD1 . 34379 1 1555 . 1 1 124 124 ILE N N 15 122.754 0.300 . 1 . . . . A 124 ILE N . 34379 1 1556 . 1 1 125 125 THR H H 1 8.592 0.020 . 1 . . . . A 125 THR H . 34379 1 1557 . 1 1 125 125 THR HA H 1 5.049 0.020 . 1 . . . . A 125 THR HA . 34379 1 1558 . 1 1 125 125 THR HB H 1 4.759 0.020 . 1 . . . . A 125 THR HB . 34379 1 1559 . 1 1 125 125 THR HG21 H 1 1.249 0.020 . 1 . . . . A 125 THR HG21 . 34379 1 1560 . 1 1 125 125 THR HG22 H 1 1.249 0.020 . 1 . . . . A 125 THR HG22 . 34379 1 1561 . 1 1 125 125 THR HG23 H 1 1.249 0.020 . 1 . . . . A 125 THR HG23 . 34379 1 1562 . 1 1 125 125 THR C C 13 174.550 0.300 . 1 . . . . A 125 THR C . 34379 1 1563 . 1 1 125 125 THR CA C 13 60.057 0.300 . 1 . . . . A 125 THR CA . 34379 1 1564 . 1 1 125 125 THR CB C 13 69.060 0.300 . 1 . . . . A 125 THR CB . 34379 1 1565 . 1 1 125 125 THR CG2 C 13 19.251 0.300 . 1 . . . . A 125 THR CG2 . 34379 1 1566 . 1 1 125 125 THR N N 15 117.348 0.300 . 1 . . . . A 125 THR N . 34379 1 1567 . 1 1 126 126 CYS H H 1 8.275 0.020 . 1 . . . . A 126 CYS H . 34379 1 1568 . 1 1 126 126 CYS HA H 1 5.283 0.020 . 1 . . . . A 126 CYS HA . 34379 1 1569 . 1 1 126 126 CYS HB2 H 1 3.018 0.020 . 2 . . . . A 126 CYS HB2 . 34379 1 1570 . 1 1 126 126 CYS HB3 H 1 2.018 0.020 . 2 . . . . A 126 CYS HB3 . 34379 1 1571 . 1 1 126 126 CYS C C 13 172.560 0.300 . 1 . . . . A 126 CYS C . 34379 1 1572 . 1 1 126 126 CYS CA C 13 56.887 0.300 . 1 . . . . A 126 CYS CA . 34379 1 1573 . 1 1 126 126 CYS CB C 13 39.481 0.300 . 1 . . . . A 126 CYS CB . 34379 1 1574 . 1 1 127 127 ASP H H 1 8.444 0.020 . 1 . . . . A 127 ASP H . 34379 1 1575 . 1 1 127 127 ASP HA H 1 5.221 0.020 . 1 . . . . A 127 ASP HA . 34379 1 1576 . 1 1 127 127 ASP HB2 H 1 2.455 0.020 . 2 . . . . A 127 ASP HB2 . 34379 1 1577 . 1 1 127 127 ASP HB3 H 1 2.555 0.020 . 2 . . . . A 127 ASP HB3 . 34379 1 1578 . 1 1 127 127 ASP C C 13 174.530 0.300 . 1 . . . . A 127 ASP C . 34379 1 1579 . 1 1 127 127 ASP CA C 13 52.766 0.300 . 1 . . . . A 127 ASP CA . 34379 1 1580 . 1 1 127 127 ASP CB C 13 45.609 0.300 . 1 . . . . A 127 ASP CB . 34379 1 1581 . 1 1 127 127 ASP N N 15 118.386 0.300 . 1 . . . . A 127 ASP N . 34379 1 1582 . 1 1 128 128 ASP H H 1 9.376 0.020 . 1 . . . . A 128 ASP H . 34379 1 1583 . 1 1 128 128 ASP HA H 1 4.278 0.020 . 1 . . . . A 128 ASP HA . 34379 1 1584 . 1 1 128 128 ASP HB2 H 1 3.029 0.020 . 2 . . . . A 128 ASP HB2 . 34379 1 1585 . 1 1 128 128 ASP HB3 H 1 2.548 0.020 . 2 . . . . A 128 ASP HB3 . 34379 1 1586 . 1 1 128 128 ASP C C 13 174.820 0.300 . 1 . . . . A 128 ASP C . 34379 1 1587 . 1 1 128 128 ASP CA C 13 54.946 0.300 . 1 . . . . A 128 ASP CA . 34379 1 1588 . 1 1 128 128 ASP CB C 13 39.406 0.300 . 1 . . . . A 128 ASP CB . 34379 1 1589 . 1 1 128 128 ASP N N 15 120.336 0.300 . 1 . . . . A 128 ASP N . 34379 1 1590 . 1 1 129 129 TYR H H 1 8.408 0.020 . 1 . . . . A 129 TYR H . 34379 1 1591 . 1 1 129 129 TYR HA H 1 3.695 0.020 . 1 . . . . A 129 TYR HA . 34379 1 1592 . 1 1 129 129 TYR HB2 H 1 1.987 0.020 . 2 . . . . A 129 TYR HB2 . 34379 1 1593 . 1 1 129 129 TYR HB3 H 1 2.018 0.020 . 2 . . . . A 129 TYR HB3 . 34379 1 1594 . 1 1 129 129 TYR HD1 H 1 5.495 0.020 . 1 . . . . A 129 TYR HD1 . 34379 1 1595 . 1 1 129 129 TYR HD2 H 1 5.495 0.020 . 1 . . . . A 129 TYR HD2 . 34379 1 1596 . 1 1 129 129 TYR HE1 H 1 6.270 0.020 . 1 . . . . A 129 TYR HE1 . 34379 1 1597 . 1 1 129 129 TYR HE2 H 1 6.270 0.020 . 1 . . . . A 129 TYR HE2 . 34379 1 1598 . 1 1 129 129 TYR C C 13 175.320 0.300 . 1 . . . . A 129 TYR C . 34379 1 1599 . 1 1 129 129 TYR CA C 13 59.413 0.300 . 1 . . . . A 129 TYR CA . 34379 1 1600 . 1 1 129 129 TYR CB C 13 36.968 0.300 . 1 . . . . A 129 TYR CB . 34379 1 1601 . 1 1 129 129 TYR CD1 C 13 132.680 0.300 . 1 . . . . A 129 TYR CD1 . 34379 1 1602 . 1 1 129 129 TYR CD2 C 13 132.680 0.300 . 1 . . . . A 129 TYR CD2 . 34379 1 1603 . 1 1 129 129 TYR CE1 C 13 117.408 0.300 . 1 . . . . A 129 TYR CE1 . 34379 1 1604 . 1 1 129 129 TYR CE2 C 13 117.408 0.300 . 1 . . . . A 129 TYR CE2 . 34379 1 1605 . 1 1 129 129 TYR N N 15 123.590 0.300 . 1 . . . . A 129 TYR N . 34379 1 1606 . 1 1 130 130 ASN H H 1 8.050 0.020 . 1 . . . . A 130 ASN H . 34379 1 1607 . 1 1 130 130 ASN HA H 1 4.449 0.020 . 1 . . . . A 130 ASN HA . 34379 1 1608 . 1 1 130 130 ASN HB2 H 1 2.400 0.020 . 2 . . . . A 130 ASN HB2 . 34379 1 1609 . 1 1 130 130 ASN HB3 H 1 3.138 0.020 . 2 . . . . A 130 ASN HB3 . 34379 1 1610 . 1 1 130 130 ASN HD21 H 1 6.816 0.020 . 1 . . . . A 130 ASN HD21 . 34379 1 1611 . 1 1 130 130 ASN HD22 H 1 7.769 0.020 . 1 . . . . A 130 ASN HD22 . 34379 1 1612 . 1 1 130 130 ASN C C 13 174.820 0.300 . 1 . . . . A 130 ASN C . 34379 1 1613 . 1 1 130 130 ASN CA C 13 51.440 0.300 . 1 . . . . A 130 ASN CA . 34379 1 1614 . 1 1 130 130 ASN CB C 13 38.910 0.300 . 1 . . . . A 130 ASN CB . 34379 1 1615 . 1 1 130 130 ASN N N 15 129.593 0.300 . 1 . . . . A 130 ASN N . 34379 1 1616 . 1 1 130 130 ASN ND2 N 15 113.287 0.300 . 1 . . . . A 130 ASN ND2 . 34379 1 1617 . 1 1 131 131 GLU H H 1 8.680 0.020 . 1 . . . . A 131 GLU H . 34379 1 1618 . 1 1 131 131 GLU HA H 1 3.654 0.020 . 1 . . . . A 131 GLU HA . 34379 1 1619 . 1 1 131 131 GLU HB2 H 1 2.004 0.020 . 1 . . . . A 131 GLU HB2 . 34379 1 1620 . 1 1 131 131 GLU HB3 H 1 2.004 0.020 . 1 . . . . A 131 GLU HB3 . 34379 1 1621 . 1 1 131 131 GLU HG2 H 1 2.277 0.020 . 1 . . . . A 131 GLU HG2 . 34379 1 1622 . 1 1 131 131 GLU HG3 H 1 2.277 0.020 . 1 . . . . A 131 GLU HG3 . 34379 1 1623 . 1 1 131 131 GLU C C 13 177.710 0.300 . 1 . . . . A 131 GLU C . 34379 1 1624 . 1 1 131 131 GLU CA C 13 58.271 0.300 . 1 . . . . A 131 GLU CA . 34379 1 1625 . 1 1 131 131 GLU CB C 13 29.510 0.300 . 1 . . . . A 131 GLU CB . 34379 1 1626 . 1 1 131 131 GLU CG C 13 36.125 0.300 . 1 . . . . A 131 GLU CG . 34379 1 1627 . 1 1 131 131 GLU N N 15 123.677 0.300 . 1 . . . . A 131 GLU N . 34379 1 1628 . 1 1 132 132 LYS H H 1 8.082 0.020 . 1 . . . . A 132 LYS H . 34379 1 1629 . 1 1 132 132 LYS HA H 1 4.110 0.020 . 1 . . . . A 132 LYS HA . 34379 1 1630 . 1 1 132 132 LYS HB2 H 1 1.830 0.020 . 2 . . . . A 132 LYS HB2 . 34379 1 1631 . 1 1 132 132 LYS HB3 H 1 1.917 0.020 . 2 . . . . A 132 LYS HB3 . 34379 1 1632 . 1 1 132 132 LYS HG2 H 1 1.366 0.020 . 2 . . . . A 132 LYS HG2 . 34379 1 1633 . 1 1 132 132 LYS HG3 H 1 1.468 0.020 . 2 . . . . A 132 LYS HG3 . 34379 1 1634 . 1 1 132 132 LYS HD2 H 1 1.644 0.020 . 1 . . . . A 132 LYS HD2 . 34379 1 1635 . 1 1 132 132 LYS HD3 H 1 1.644 0.020 . 1 . . . . A 132 LYS HD3 . 34379 1 1636 . 1 1 132 132 LYS HE2 H 1 2.976 0.020 . 1 . . . . A 132 LYS HE2 . 34379 1 1637 . 1 1 132 132 LYS HE3 H 1 2.976 0.020 . 1 . . . . A 132 LYS HE3 . 34379 1 1638 . 1 1 132 132 LYS C C 13 178.440 0.300 . 1 . . . . A 132 LYS C . 34379 1 1639 . 1 1 132 132 LYS CA C 13 58.400 0.300 . 1 . . . . A 132 LYS CA . 34379 1 1640 . 1 1 132 132 LYS CB C 13 32.531 0.300 . 1 . . . . A 132 LYS CB . 34379 1 1641 . 1 1 132 132 LYS CG C 13 25.339 0.300 . 1 . . . . A 132 LYS CG . 34379 1 1642 . 1 1 132 132 LYS CD C 13 29.096 0.300 . 1 . . . . A 132 LYS CD . 34379 1 1643 . 1 1 132 132 LYS CE C 13 42.450 0.300 . 1 . . . . A 132 LYS CE . 34379 1 1644 . 1 1 132 132 LYS N N 15 117.855 0.300 . 1 . . . . A 132 LYS N . 34379 1 1645 . 1 1 133 133 THR H H 1 7.082 0.020 . 1 . . . . A 133 THR H . 34379 1 1646 . 1 1 133 133 THR HA H 1 4.268 0.020 . 1 . . . . A 133 THR HA . 34379 1 1647 . 1 1 133 133 THR HB H 1 4.228 0.020 . 1 . . . . A 133 THR HB . 34379 1 1648 . 1 1 133 133 THR HG21 H 1 1.027 0.020 . 1 . . . . A 133 THR HG21 . 34379 1 1649 . 1 1 133 133 THR HG22 H 1 1.027 0.020 . 1 . . . . A 133 THR HG22 . 34379 1 1650 . 1 1 133 133 THR HG23 H 1 1.027 0.020 . 1 . . . . A 133 THR HG23 . 34379 1 1651 . 1 1 133 133 THR C C 13 176.430 0.300 . 1 . . . . A 133 THR C . 34379 1 1652 . 1 1 133 133 THR CA C 13 61.144 0.300 . 1 . . . . A 133 THR CA . 34379 1 1653 . 1 1 133 133 THR CB C 13 69.900 0.300 . 1 . . . . A 133 THR CB . 34379 1 1654 . 1 1 133 133 THR CG2 C 13 21.863 0.300 . 1 . . . . A 133 THR CG2 . 34379 1 1655 . 1 1 133 133 THR N N 15 106.153 0.300 . 1 . . . . A 133 THR N . 34379 1 1656 . 1 1 134 134 GLY H H 1 8.381 0.020 . 1 . . . . A 134 GLY H . 34379 1 1657 . 1 1 134 134 GLY HA2 H 1 3.604 0.020 . 2 . . . . A 134 GLY HA2 . 34379 1 1658 . 1 1 134 134 GLY HA3 H 1 3.940 0.020 . 2 . . . . A 134 GLY HA3 . 34379 1 1659 . 1 1 134 134 GLY C C 13 173.740 0.300 . 1 . . . . A 134 GLY C . 34379 1 1660 . 1 1 134 134 GLY CA C 13 46.063 0.300 . 1 . . . . A 134 GLY CA . 34379 1 1661 . 1 1 134 134 GLY N N 15 111.943 0.300 . 1 . . . . A 134 GLY N . 34379 1 1662 . 1 1 135 135 VAL H H 1 6.879 0.020 . 1 . . . . A 135 VAL H . 34379 1 1663 . 1 1 135 135 VAL HA H 1 4.353 0.020 . 1 . . . . A 135 VAL HA . 34379 1 1664 . 1 1 135 135 VAL HB H 1 1.940 0.020 . 1 . . . . A 135 VAL HB . 34379 1 1665 . 1 1 135 135 VAL HG11 H 1 0.790 0.020 . 2 . . . . A 135 VAL HG11 . 34379 1 1666 . 1 1 135 135 VAL HG12 H 1 0.790 0.020 . 2 . . . . A 135 VAL HG12 . 34379 1 1667 . 1 1 135 135 VAL HG13 H 1 0.790 0.020 . 2 . . . . A 135 VAL HG13 . 34379 1 1668 . 1 1 135 135 VAL HG21 H 1 0.822 0.020 . 2 . . . . A 135 VAL HG21 . 34379 1 1669 . 1 1 135 135 VAL HG22 H 1 0.822 0.020 . 2 . . . . A 135 VAL HG22 . 34379 1 1670 . 1 1 135 135 VAL HG23 H 1 0.822 0.020 . 2 . . . . A 135 VAL HG23 . 34379 1 1671 . 1 1 135 135 VAL C C 13 174.850 0.300 . 1 . . . . A 135 VAL C . 34379 1 1672 . 1 1 135 135 VAL CA C 13 60.697 0.300 . 1 . . . . A 135 VAL CA . 34379 1 1673 . 1 1 135 135 VAL CB C 13 35.429 0.300 . 1 . . . . A 135 VAL CB . 34379 1 1674 . 1 1 135 135 VAL CG1 C 13 20.963 0.300 . 1 . . . . A 135 VAL CG1 . 34379 1 1675 . 1 1 135 135 VAL CG2 C 13 21.523 0.300 . 1 . . . . A 135 VAL CG2 . 34379 1 1676 . 1 1 135 135 VAL N N 15 117.357 0.300 . 1 . . . . A 135 VAL N . 34379 1 1677 . 1 1 136 136 TRP H H 1 8.675 0.020 . 1 . . . . A 136 TRP H . 34379 1 1678 . 1 1 136 136 TRP HA H 1 4.484 0.020 . 1 . . . . A 136 TRP HA . 34379 1 1679 . 1 1 136 136 TRP HB2 H 1 3.351 0.020 . 2 . . . . A 136 TRP HB2 . 34379 1 1680 . 1 1 136 136 TRP HB3 H 1 3.197 0.020 . 2 . . . . A 136 TRP HB3 . 34379 1 1681 . 1 1 136 136 TRP HD1 H 1 7.295 0.020 . 1 . . . . A 136 TRP HD1 . 34379 1 1682 . 1 1 136 136 TRP HE1 H 1 10.038 0.020 . 1 . . . . A 136 TRP HE1 . 34379 1 1683 . 1 1 136 136 TRP HE3 H 1 7.249 0.020 . 1 . . . . A 136 TRP HE3 . 34379 1 1684 . 1 1 136 136 TRP HZ2 H 1 7.131 0.020 . 1 . . . . A 136 TRP HZ2 . 34379 1 1685 . 1 1 136 136 TRP HZ3 H 1 7.177 0.020 . 1 . . . . A 136 TRP HZ3 . 34379 1 1686 . 1 1 136 136 TRP HH2 H 1 7.068 0.020 . 1 . . . . A 136 TRP HH2 . 34379 1 1687 . 1 1 136 136 TRP C C 13 175.910 0.300 . 1 . . . . A 136 TRP C . 34379 1 1688 . 1 1 136 136 TRP CA C 13 57.106 0.300 . 1 . . . . A 136 TRP CA . 34379 1 1689 . 1 1 136 136 TRP CB C 13 28.510 0.300 . 1 . . . . A 136 TRP CB . 34379 1 1690 . 1 1 136 136 TRP CD1 C 13 127.904 0.300 . 1 . . . . A 136 TRP CD1 . 34379 1 1691 . 1 1 136 136 TRP CE3 C 13 120.241 0.300 . 1 . . . . A 136 TRP CE3 . 34379 1 1692 . 1 1 136 136 TRP CZ2 C 13 115.292 0.300 . 1 . . . . A 136 TRP CZ2 . 34379 1 1693 . 1 1 136 136 TRP CZ3 C 13 122.235 0.300 . 1 . . . . A 136 TRP CZ3 . 34379 1 1694 . 1 1 136 136 TRP CH2 C 13 124.950 0.300 . 1 . . . . A 136 TRP CH2 . 34379 1 1695 . 1 1 136 136 TRP N N 15 125.715 0.300 . 1 . . . . A 136 TRP N . 34379 1 1696 . 1 1 136 136 TRP NE1 N 15 131.537 0.300 . 1 . . . . A 136 TRP NE1 . 34379 1 1697 . 1 1 137 137 GLU H H 1 8.490 0.020 . 1 . . . . A 137 GLU H . 34379 1 1698 . 1 1 137 137 GLU HA H 1 4.204 0.020 . 1 . . . . A 137 GLU HA . 34379 1 1699 . 1 1 137 137 GLU HB2 H 1 2.235 0.020 . 1 . . . . A 137 GLU HB2 . 34379 1 1700 . 1 1 137 137 GLU HB3 H 1 2.235 0.020 . 1 . . . . A 137 GLU HB3 . 34379 1 1701 . 1 1 137 137 GLU HG2 H 1 2.558 0.020 . 2 . . . . A 137 GLU HG2 . 34379 1 1702 . 1 1 137 137 GLU HG3 H 1 2.203 0.020 . 2 . . . . A 137 GLU HG3 . 34379 1 1703 . 1 1 137 137 GLU C C 13 175.840 0.300 . 1 . . . . A 137 GLU C . 34379 1 1704 . 1 1 137 137 GLU CA C 13 59.094 0.300 . 1 . . . . A 137 GLU CA . 34379 1 1705 . 1 1 137 137 GLU CB C 13 30.745 0.300 . 1 . . . . A 137 GLU CB . 34379 1 1706 . 1 1 137 137 GLU CG C 13 37.339 0.300 . 1 . . . . A 137 GLU CG . 34379 1 1707 . 1 1 137 137 GLU N N 15 124.761 0.300 . 1 . . . . A 137 GLU N . 34379 1 1708 . 1 1 138 138 LYS H H 1 8.362 0.020 . 1 . . . . A 138 LYS H . 34379 1 1709 . 1 1 138 138 LYS HA H 1 4.963 0.020 . 1 . . . . A 138 LYS HA . 34379 1 1710 . 1 1 138 138 LYS HB2 H 1 1.720 0.020 . 2 . . . . A 138 LYS HB2 . 34379 1 1711 . 1 1 138 138 LYS HB3 H 1 1.616 0.020 . 2 . . . . A 138 LYS HB3 . 34379 1 1712 . 1 1 138 138 LYS HG2 H 1 1.348 0.020 . 2 . . . . A 138 LYS HG2 . 34379 1 1713 . 1 1 138 138 LYS HG3 H 1 1.472 0.020 . 2 . . . . A 138 LYS HG3 . 34379 1 1714 . 1 1 138 138 LYS HE2 H 1 2.962 0.020 . 1 . . . . A 138 LYS HE2 . 34379 1 1715 . 1 1 138 138 LYS HE3 H 1 2.962 0.020 . 1 . . . . A 138 LYS HE3 . 34379 1 1716 . 1 1 138 138 LYS C C 13 177.520 0.300 . 1 . . . . A 138 LYS C . 34379 1 1717 . 1 1 138 138 LYS CA C 13 54.888 0.300 . 1 . . . . A 138 LYS CA . 34379 1 1718 . 1 1 138 138 LYS CB C 13 37.223 0.300 . 1 . . . . A 138 LYS CB . 34379 1 1719 . 1 1 138 138 LYS CG C 13 25.649 0.300 . 1 . . . . A 138 LYS CG . 34379 1 1720 . 1 1 138 138 LYS CE C 13 42.368 0.300 . 1 . . . . A 138 LYS CE . 34379 1 1721 . 1 1 138 138 LYS N N 15 115.306 0.300 . 1 . . . . A 138 LYS N . 34379 1 1722 . 1 1 139 139 ARG H H 1 8.633 0.020 . 1 . . . . A 139 ARG H . 34379 1 1723 . 1 1 139 139 ARG HA H 1 5.113 0.020 . 1 . . . . A 139 ARG HA . 34379 1 1724 . 1 1 139 139 ARG HB2 H 1 1.450 0.020 . 2 . . . . A 139 ARG HB2 . 34379 1 1725 . 1 1 139 139 ARG HB3 H 1 1.695 0.020 . 2 . . . . A 139 ARG HB3 . 34379 1 1726 . 1 1 139 139 ARG HD2 H 1 3.198 0.020 . 2 . . . . A 139 ARG HD2 . 34379 1 1727 . 1 1 139 139 ARG HD3 H 1 2.637 0.020 . 2 . . . . A 139 ARG HD3 . 34379 1 1728 . 1 1 139 139 ARG C C 13 175.220 0.300 . 1 . . . . A 139 ARG C . 34379 1 1729 . 1 1 139 139 ARG CA C 13 53.848 0.300 . 1 . . . . A 139 ARG CA . 34379 1 1730 . 1 1 139 139 ARG CB C 13 31.634 0.300 . 1 . . . . A 139 ARG CB . 34379 1 1731 . 1 1 139 139 ARG CG C 13 25.248 0.300 . 1 . . . . A 139 ARG CG . 34379 1 1732 . 1 1 139 139 ARG CD C 13 43.589 0.300 . 1 . . . . A 139 ARG CD . 34379 1 1733 . 1 1 139 139 ARG N N 15 122.002 0.300 . 1 . . . . A 139 ARG N . 34379 1 1734 . 1 1 140 140 LYS H H 1 8.486 0.020 . 1 . . . . A 140 LYS H . 34379 1 1735 . 1 1 140 140 LYS HA H 1 4.924 0.020 . 1 . . . . A 140 LYS HA . 34379 1 1736 . 1 1 140 140 LYS HB2 H 1 1.598 0.020 . 2 . . . . A 140 LYS HB2 . 34379 1 1737 . 1 1 140 140 LYS HB3 H 1 1.457 0.020 . 2 . . . . A 140 LYS HB3 . 34379 1 1738 . 1 1 140 140 LYS HG2 H 1 1.082 0.020 . 2 . . . . A 140 LYS HG2 . 34379 1 1739 . 1 1 140 140 LYS HG3 H 1 1.137 0.020 . 2 . . . . A 140 LYS HG3 . 34379 1 1740 . 1 1 140 140 LYS HD2 H 1 1.509 0.020 . 1 . . . . A 140 LYS HD2 . 34379 1 1741 . 1 1 140 140 LYS HD3 H 1 1.509 0.020 . 1 . . . . A 140 LYS HD3 . 34379 1 1742 . 1 1 140 140 LYS HE2 H 1 2.705 0.020 . 2 . . . . A 140 LYS HE2 . 34379 1 1743 . 1 1 140 140 LYS HE3 H 1 2.802 0.020 . 2 . . . . A 140 LYS HE3 . 34379 1 1744 . 1 1 140 140 LYS C C 13 174.760 0.300 . 1 . . . . A 140 LYS C . 34379 1 1745 . 1 1 140 140 LYS CA C 13 55.637 0.300 . 1 . . . . A 140 LYS CA . 34379 1 1746 . 1 1 140 140 LYS CB C 13 34.637 0.300 . 1 . . . . A 140 LYS CB . 34379 1 1747 . 1 1 140 140 LYS CG C 13 24.185 0.300 . 1 . . . . A 140 LYS CG . 34379 1 1748 . 1 1 140 140 LYS CD C 13 28.985 0.300 . 1 . . . . A 140 LYS CD . 34379 1 1749 . 1 1 140 140 LYS CE C 13 41.508 0.300 . 1 . . . . A 140 LYS CE . 34379 1 1750 . 1 1 140 140 LYS N N 15 125.363 0.300 . 1 . . . . A 140 LYS N . 34379 1 1751 . 1 1 141 141 ILE H H 1 8.920 0.020 . 1 . . . . A 141 ILE H . 34379 1 1752 . 1 1 141 141 ILE HA H 1 5.229 0.020 . 1 . . . . A 141 ILE HA . 34379 1 1753 . 1 1 141 141 ILE HB H 1 1.803 0.020 . 1 . . . . A 141 ILE HB . 34379 1 1754 . 1 1 141 141 ILE HG12 H 1 1.256 0.020 . 2 . . . . A 141 ILE HG12 . 34379 1 1755 . 1 1 141 141 ILE HG13 H 1 1.304 0.020 . 2 . . . . A 141 ILE HG13 . 34379 1 1756 . 1 1 141 141 ILE HG21 H 1 0.716 0.020 . 1 . . . . A 141 ILE HG21 . 34379 1 1757 . 1 1 141 141 ILE HG22 H 1 0.716 0.020 . 1 . . . . A 141 ILE HG22 . 34379 1 1758 . 1 1 141 141 ILE HG23 H 1 0.716 0.020 . 1 . . . . A 141 ILE HG23 . 34379 1 1759 . 1 1 141 141 ILE HD11 H 1 0.621 0.020 . 1 . . . . A 141 ILE HD11 . 34379 1 1760 . 1 1 141 141 ILE HD12 H 1 0.621 0.020 . 1 . . . . A 141 ILE HD12 . 34379 1 1761 . 1 1 141 141 ILE HD13 H 1 0.621 0.020 . 1 . . . . A 141 ILE HD13 . 34379 1 1762 . 1 1 141 141 ILE C C 13 173.910 0.300 . 1 . . . . A 141 ILE C . 34379 1 1763 . 1 1 141 141 ILE CA C 13 58.011 0.300 . 1 . . . . A 141 ILE CA . 34379 1 1764 . 1 1 141 141 ILE CB C 13 39.216 0.300 . 1 . . . . A 141 ILE CB . 34379 1 1765 . 1 1 141 141 ILE CG1 C 13 27.004 0.300 . 1 . . . . A 141 ILE CG1 . 34379 1 1766 . 1 1 141 141 ILE CG2 C 13 18.489 0.300 . 1 . . . . A 141 ILE CG2 . 34379 1 1767 . 1 1 141 141 ILE CD1 C 13 12.567 0.300 . 1 . . . . A 141 ILE CD1 . 34379 1 1768 . 1 1 141 141 ILE N N 15 120.909 0.300 . 1 . . . . A 141 ILE N . 34379 1 1769 . 1 1 142 142 PHE H H 1 9.409 0.020 . 1 . . . . A 142 PHE H . 34379 1 1770 . 1 1 142 142 PHE HA H 1 4.922 0.020 . 1 . . . . A 142 PHE HA . 34379 1 1771 . 1 1 142 142 PHE HB2 H 1 2.920 0.020 . 2 . . . . A 142 PHE HB2 . 34379 1 1772 . 1 1 142 142 PHE HB3 H 1 2.984 0.020 . 2 . . . . A 142 PHE HB3 . 34379 1 1773 . 1 1 142 142 PHE HD1 H 1 6.998 0.020 . 1 . . . . A 142 PHE HD1 . 34379 1 1774 . 1 1 142 142 PHE HD2 H 1 6.998 0.020 . 1 . . . . A 142 PHE HD2 . 34379 1 1775 . 1 1 142 142 PHE HE1 H 1 7.135 0.020 . 1 . . . . A 142 PHE HE1 . 34379 1 1776 . 1 1 142 142 PHE HE2 H 1 7.135 0.020 . 1 . . . . A 142 PHE HE2 . 34379 1 1777 . 1 1 142 142 PHE C C 13 174.680 0.300 . 1 . . . . A 142 PHE C . 34379 1 1778 . 1 1 142 142 PHE CA C 13 55.945 0.300 . 1 . . . . A 142 PHE CA . 34379 1 1779 . 1 1 142 142 PHE CB C 13 39.502 0.300 . 1 . . . . A 142 PHE CB . 34379 1 1780 . 1 1 142 142 PHE CD1 C 13 132.875 0.300 . 1 . . . . A 142 PHE CD1 . 34379 1 1781 . 1 1 142 142 PHE CD2 C 13 132.875 0.300 . 1 . . . . A 142 PHE CD2 . 34379 1 1782 . 1 1 142 142 PHE CE1 C 13 133.619 0.300 . 1 . . . . A 142 PHE CE1 . 34379 1 1783 . 1 1 142 142 PHE CE2 C 13 133.619 0.300 . 1 . . . . A 142 PHE CE2 . 34379 1 1784 . 1 1 142 142 PHE N N 15 126.822 0.300 . 1 . . . . A 142 PHE N . 34379 1 1785 . 1 1 143 143 VAL H H 1 9.144 0.020 . 1 . . . . A 143 VAL H . 34379 1 1786 . 1 1 143 143 VAL HA H 1 4.933 0.020 . 1 . . . . A 143 VAL HA . 34379 1 1787 . 1 1 143 143 VAL HB H 1 1.914 0.020 . 1 . . . . A 143 VAL HB . 34379 1 1788 . 1 1 143 143 VAL HG11 H 1 0.838 0.020 . 2 . . . . A 143 VAL HG11 . 34379 1 1789 . 1 1 143 143 VAL HG12 H 1 0.838 0.020 . 2 . . . . A 143 VAL HG12 . 34379 1 1790 . 1 1 143 143 VAL HG13 H 1 0.838 0.020 . 2 . . . . A 143 VAL HG13 . 34379 1 1791 . 1 1 143 143 VAL HG21 H 1 0.708 0.020 . 2 . . . . A 143 VAL HG21 . 34379 1 1792 . 1 1 143 143 VAL HG22 H 1 0.708 0.020 . 2 . . . . A 143 VAL HG22 . 34379 1 1793 . 1 1 143 143 VAL HG23 H 1 0.708 0.020 . 2 . . . . A 143 VAL HG23 . 34379 1 1794 . 1 1 143 143 VAL C C 13 174.780 0.300 . 1 . . . . A 143 VAL C . 34379 1 1795 . 1 1 143 143 VAL CA C 13 61.405 0.300 . 1 . . . . A 143 VAL CA . 34379 1 1796 . 1 1 143 143 VAL CB C 13 33.646 0.300 . 1 . . . . A 143 VAL CB . 34379 1 1797 . 1 1 143 143 VAL CG1 C 13 21.850 0.300 . 1 . . . . A 143 VAL CG1 . 34379 1 1798 . 1 1 143 143 VAL CG2 C 13 21.621 0.300 . 1 . . . . A 143 VAL CG2 . 34379 1 1799 . 1 1 143 143 VAL N N 15 123.851 0.300 . 1 . . . . A 143 VAL N . 34379 1 1800 . 1 1 144 144 ALA H H 1 9.118 0.020 . 1 . . . . A 144 ALA H . 34379 1 1801 . 1 1 144 144 ALA HA H 1 5.294 0.020 . 1 . . . . A 144 ALA HA . 34379 1 1802 . 1 1 144 144 ALA HB1 H 1 1.064 0.020 . 1 . . . . A 144 ALA HB1 . 34379 1 1803 . 1 1 144 144 ALA HB2 H 1 1.064 0.020 . 1 . . . . A 144 ALA HB2 . 34379 1 1804 . 1 1 144 144 ALA HB3 H 1 1.064 0.020 . 1 . . . . A 144 ALA HB3 . 34379 1 1805 . 1 1 144 144 ALA C C 13 175.610 0.300 . 1 . . . . A 144 ALA C . 34379 1 1806 . 1 1 144 144 ALA CA C 13 49.900 0.300 . 1 . . . . A 144 ALA CA . 34379 1 1807 . 1 1 144 144 ALA CB C 13 22.300 0.300 . 1 . . . . A 144 ALA CB . 34379 1 1808 . 1 1 144 144 ALA N N 15 131.119 0.300 . 1 . . . . A 144 ALA N . 34379 1 1809 . 1 1 145 145 THR H H 1 8.679 0.020 . 1 . . . . A 145 THR H . 34379 1 1810 . 1 1 145 145 THR HA H 1 4.938 0.020 . 1 . . . . A 145 THR HA . 34379 1 1811 . 1 1 145 145 THR HB H 1 4.059 0.020 . 1 . . . . A 145 THR HB . 34379 1 1812 . 1 1 145 145 THR HG21 H 1 1.417 0.020 . 1 . . . . A 145 THR HG21 . 34379 1 1813 . 1 1 145 145 THR HG22 H 1 1.417 0.020 . 1 . . . . A 145 THR HG22 . 34379 1 1814 . 1 1 145 145 THR HG23 H 1 1.417 0.020 . 1 . . . . A 145 THR HG23 . 34379 1 1815 . 1 1 145 145 THR C C 13 174.760 0.300 . 1 . . . . A 145 THR C . 34379 1 1816 . 1 1 145 145 THR CA C 13 62.558 0.300 . 1 . . . . A 145 THR CA . 34379 1 1817 . 1 1 145 145 THR CB C 13 70.446 0.300 . 1 . . . . A 145 THR CB . 34379 1 1818 . 1 1 145 145 THR CG2 C 13 22.304 0.300 . 1 . . . . A 145 THR CG2 . 34379 1 1819 . 1 1 145 145 THR N N 15 118.944 0.300 . 1 . . . . A 145 THR N . 34379 1 1820 . 1 1 146 146 GLU H H 1 9.219 0.020 . 1 . . . . A 146 GLU H . 34379 1 1821 . 1 1 146 146 GLU HA H 1 4.138 0.020 . 1 . . . . A 146 GLU HA . 34379 1 1822 . 1 1 146 146 GLU HB2 H 1 1.871 0.020 . 1 . . . . A 146 GLU HB2 . 34379 1 1823 . 1 1 146 146 GLU HG2 H 1 2.020 0.020 . 2 . . . . A 146 GLU HG2 . 34379 1 1824 . 1 1 146 146 GLU HG3 H 1 2.160 0.020 . 2 . . . . A 146 GLU HG3 . 34379 1 1825 . 1 1 146 146 GLU C C 13 175.630 0.300 . 1 . . . . A 146 GLU C . 34379 1 1826 . 1 1 146 146 GLU CA C 13 57.674 0.300 . 1 . . . . A 146 GLU CA . 34379 1 1827 . 1 1 146 146 GLU CB C 13 30.532 0.300 . 1 . . . . A 146 GLU CB . 34379 1 1828 . 1 1 146 146 GLU CG C 13 36.026 0.300 . 1 . . . . A 146 GLU CG . 34379 1 1829 . 1 1 146 146 GLU N N 15 128.177 0.300 . 1 . . . . A 146 GLU N . 34379 1 1830 . 1 1 147 147 VAL H H 1 8.188 0.020 . 1 . . . . A 147 VAL H . 34379 1 1831 . 1 1 147 147 VAL HA H 1 4.238 0.020 . 1 . . . . A 147 VAL HA . 34379 1 1832 . 1 1 147 147 VAL HB H 1 1.853 0.020 . 1 . . . . A 147 VAL HB . 34379 1 1833 . 1 1 147 147 VAL HG11 H 1 0.903 0.020 . 2 . . . . A 147 VAL HG11 . 34379 1 1834 . 1 1 147 147 VAL HG12 H 1 0.903 0.020 . 2 . . . . A 147 VAL HG12 . 34379 1 1835 . 1 1 147 147 VAL HG13 H 1 0.903 0.020 . 2 . . . . A 147 VAL HG13 . 34379 1 1836 . 1 1 147 147 VAL HG21 H 1 0.774 0.020 . 2 . . . . A 147 VAL HG21 . 34379 1 1837 . 1 1 147 147 VAL HG22 H 1 0.774 0.020 . 2 . . . . A 147 VAL HG22 . 34379 1 1838 . 1 1 147 147 VAL HG23 H 1 0.774 0.020 . 2 . . . . A 147 VAL HG23 . 34379 1 1839 . 1 1 147 147 VAL C C 13 174.650 0.300 . 1 . . . . A 147 VAL C . 34379 1 1840 . 1 1 147 147 VAL CA C 13 61.153 0.300 . 1 . . . . A 147 VAL CA . 34379 1 1841 . 1 1 147 147 VAL CB C 13 33.945 0.300 . 1 . . . . A 147 VAL CB . 34379 1 1842 . 1 1 147 147 VAL CG1 C 13 21.766 0.300 . 1 . . . . A 147 VAL CG1 . 34379 1 1843 . 1 1 147 147 VAL CG2 C 13 21.158 0.300 . 1 . . . . A 147 VAL CG2 . 34379 1 1844 . 1 1 147 147 VAL N N 15 124.611 0.300 . 1 . . . . A 147 VAL N . 34379 1 1845 . 1 1 148 148 LYS H H 1 8.059 0.020 . 1 . . . . A 148 LYS H . 34379 1 1846 . 1 1 148 148 LYS HA H 1 4.156 0.020 . 1 . . . . A 148 LYS HA . 34379 1 1847 . 1 1 148 148 LYS HB2 H 1 1.662 0.020 . 2 . . . . A 148 LYS HB2 . 34379 1 1848 . 1 1 148 148 LYS HB3 H 1 1.797 0.020 . 2 . . . . A 148 LYS HB3 . 34379 1 1849 . 1 1 148 148 LYS HG2 H 1 1.365 0.020 . 1 . . . . A 148 LYS HG2 . 34379 1 1850 . 1 1 148 148 LYS HG3 H 1 1.365 0.020 . 1 . . . . A 148 LYS HG3 . 34379 1 1851 . 1 1 148 148 LYS HD2 H 1 1.635 0.020 . 1 . . . . A 148 LYS HD2 . 34379 1 1852 . 1 1 148 148 LYS HD3 H 1 1.635 0.020 . 1 . . . . A 148 LYS HD3 . 34379 1 1853 . 1 1 148 148 LYS HE2 H 1 2.948 0.020 . 1 . . . . A 148 LYS HE2 . 34379 1 1854 . 1 1 148 148 LYS HE3 H 1 2.948 0.020 . 1 . . . . A 148 LYS HE3 . 34379 1 1855 . 1 1 148 148 LYS C C 13 177.180 0.300 . 1 . . . . A 148 LYS C . 34379 1 1856 . 1 1 148 148 LYS CA C 13 57.708 0.300 . 1 . . . . A 148 LYS CA . 34379 1 1857 . 1 1 148 148 LYS CB C 13 33.941 0.300 . 1 . . . . A 148 LYS CB . 34379 1 1858 . 1 1 148 148 LYS CG C 13 25.242 0.300 . 1 . . . . A 148 LYS CG . 34379 1 1859 . 1 1 148 148 LYS CD C 13 29.200 0.300 . 1 . . . . A 148 LYS CD . 34379 1 1860 . 1 1 148 148 LYS CE C 13 42.520 0.300 . 1 . . . . A 148 LYS CE . 34379 1 1861 . 1 1 148 148 LYS N N 15 130.248 0.300 . 1 . . . . A 148 LYS N . 34379 1 1862 . 2 2 1 1 JPT H7 H 1 5.130 0.020 . 1 . . . . B 1 JPT H7 . 34379 1 1863 . 2 2 1 1 JPT H12 H 1 7.130 0.020 . 1 . . . . B 1 JPT H12 . 34379 1 1864 . 2 2 1 1 JPT H13 H 1 6.830 0.020 . 1 . . . . B 1 JPT H13 . 34379 1 1865 . 2 2 1 1 JPT H61 H 1 4.440 0.020 . 1 . . . . B 1 JPT Q6 . 34379 1 1866 . 2 2 1 1 JPT H62 H 1 4.440 0.020 . 1 . . . . B 1 JPT Q6 . 34379 1 1867 . 2 2 1 1 JPT H2 H 1 6.510 0.020 . 1 . . . . B 1 JPT H2 . 34379 1 stop_ save_