data_34572 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34572 _Entry.Title ; Solution structure of the fluorogen-activating protein FAST in complex with the ligand N871b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-05 _Entry.Accession_date 2020-11-05 _Entry.Last_release_date 2021-04-20 _Entry.Original_release_date 2021-04-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Mineev K. S. . . 34572 2 S. Goncharuk S. A. . . 34572 3 M. Baranov M. S. . . 34572 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FLUORESCENT PROTEIN' . 34572 'Fluorogen-activating protein PAS domain' . 34572 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34572 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 576 34572 '15N chemical shifts' 139 34572 '1H chemical shifts' 954 34572 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-03-24 2020-11-05 update BMRB 'update entry citation' 34572 1 . . 2021-04-23 2020-11-05 original author 'original release' 34572 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7AVA 'BMRB Entry Tracking System' 34572 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34572 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34040747 _Citation.DOI 10.1039/D1SC01454D _Citation.Full_citation . _Citation.Title ; NanoFAST: structure-based design of a small fluorogen-activating protein with only 98 amino acids ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-6539 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6719 _Citation.Page_last 6725 _Citation.Year 2021 _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. Mineev K. S. . . 34572 1 2 S. Goncharuk S. A. . . 34572 1 3 M. Goncharuk M. V. . . 34572 1 4 N. Povarova N. V. . . 34572 1 5 A. Sokolov A. I. . . 34572 1 6 N. Baleeva N. S. . . 34572 1 7 A. Smirnov A. Y. . . 34572 1 8 I. Myasnyanko I. N. . . 34572 1 9 D. Ruchkin D. A. . . 34572 1 10 S. Bukhdruker S. . . . 34572 1 11 A. Remeeva A. . . . 34572 1 12 A. Mishin A. . . . 34572 1 13 V. Borshchevskiy V. . . . 34572 1 14 V. Gordeliy V. . . . 34572 1 15 A. Arseniev A. S. . . 34572 1 16 D. Gorbachev D. A. . . 34572 1 17 A. Gavrikov A. S. . . 34572 1 18 A. Mishin A. S. . . 34572 1 19 M. Baranov M. S. . . 34572 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34572 _Assembly.ID 1 _Assembly.Name FAST _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 unit_1 1 $entity_1 A A yes . . . . . . 34572 1 2 unit_2 2 $entity_S1Q B A no . . . . . . 34572 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34572 _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 ; MEHVAFGSEDIENTLAKMDD GQLDGLAFGAIQLDGDGNIL QYNAAEGDITGRDPKQVIGK NFFKDVAPGTDSPEFYGKFK EGVASGNLNTMFEWMIPTSR GPTKVKVHMKKALSGDSYWV FVKRVKLAAALEHHHHHH ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15249.174 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34572 1 2 . GLU . 34572 1 3 . HIS . 34572 1 4 . VAL . 34572 1 5 . ALA . 34572 1 6 . PHE . 34572 1 7 . GLY . 34572 1 8 . SER . 34572 1 9 . GLU . 34572 1 10 . ASP . 34572 1 11 . ILE . 34572 1 12 . GLU . 34572 1 13 . ASN . 34572 1 14 . THR . 34572 1 15 . LEU . 34572 1 16 . ALA . 34572 1 17 . LYS . 34572 1 18 . MET . 34572 1 19 . ASP . 34572 1 20 . ASP . 34572 1 21 . GLY . 34572 1 22 . GLN . 34572 1 23 . LEU . 34572 1 24 . ASP . 34572 1 25 . GLY . 34572 1 26 . LEU . 34572 1 27 . ALA . 34572 1 28 . PHE . 34572 1 29 . GLY . 34572 1 30 . ALA . 34572 1 31 . ILE . 34572 1 32 . GLN . 34572 1 33 . LEU . 34572 1 34 . ASP . 34572 1 35 . GLY . 34572 1 36 . ASP . 34572 1 37 . GLY . 34572 1 38 . ASN . 34572 1 39 . ILE . 34572 1 40 . LEU . 34572 1 41 . GLN . 34572 1 42 . TYR . 34572 1 43 . ASN . 34572 1 44 . ALA . 34572 1 45 . ALA . 34572 1 46 . GLU . 34572 1 47 . GLY . 34572 1 48 . ASP . 34572 1 49 . ILE . 34572 1 50 . THR . 34572 1 51 . GLY . 34572 1 52 . ARG . 34572 1 53 . ASP . 34572 1 54 . PRO . 34572 1 55 . LYS . 34572 1 56 . GLN . 34572 1 57 . VAL . 34572 1 58 . ILE . 34572 1 59 . GLY . 34572 1 60 . LYS . 34572 1 61 . ASN . 34572 1 62 . PHE . 34572 1 63 . PHE . 34572 1 64 . LYS . 34572 1 65 . ASP . 34572 1 66 . VAL . 34572 1 67 . ALA . 34572 1 68 . PRO . 34572 1 69 . GLY . 34572 1 70 . THR . 34572 1 71 . ASP . 34572 1 72 . SER . 34572 1 73 . PRO . 34572 1 74 . GLU . 34572 1 75 . PHE . 34572 1 76 . TYR . 34572 1 77 . GLY . 34572 1 78 . LYS . 34572 1 79 . PHE . 34572 1 80 . LYS . 34572 1 81 . GLU . 34572 1 82 . GLY . 34572 1 83 . VAL . 34572 1 84 . ALA . 34572 1 85 . SER . 34572 1 86 . GLY . 34572 1 87 . ASN . 34572 1 88 . LEU . 34572 1 89 . ASN . 34572 1 90 . THR . 34572 1 91 . MET . 34572 1 92 . PHE . 34572 1 93 . GLU . 34572 1 94 . TRP . 34572 1 95 . MET . 34572 1 96 . ILE . 34572 1 97 . PRO . 34572 1 98 . THR . 34572 1 99 . SER . 34572 1 100 . ARG . 34572 1 101 . GLY . 34572 1 102 . PRO . 34572 1 103 . THR . 34572 1 104 . LYS . 34572 1 105 . VAL . 34572 1 106 . LYS . 34572 1 107 . VAL . 34572 1 108 . HIS . 34572 1 109 . MET . 34572 1 110 . LYS . 34572 1 111 . LYS . 34572 1 112 . ALA . 34572 1 113 . LEU . 34572 1 114 . SER . 34572 1 115 . GLY . 34572 1 116 . ASP . 34572 1 117 . SER . 34572 1 118 . TYR . 34572 1 119 . TRP . 34572 1 120 . VAL . 34572 1 121 . PHE . 34572 1 122 . VAL . 34572 1 123 . LYS . 34572 1 124 . ARG . 34572 1 125 . VAL . 34572 1 126 . LYS . 34572 1 127 . LEU . 34572 1 128 . ALA . 34572 1 129 . ALA . 34572 1 130 . ALA . 34572 1 131 . LEU . 34572 1 132 . GLU . 34572 1 133 . HIS . 34572 1 134 . HIS . 34572 1 135 . HIS . 34572 1 136 . HIS . 34572 1 137 . HIS . 34572 1 138 . HIS . 34572 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 34572 1 . GLU 2 2 34572 1 . HIS 3 3 34572 1 . VAL 4 4 34572 1 . ALA 5 5 34572 1 . PHE 6 6 34572 1 . GLY 7 7 34572 1 . SER 8 8 34572 1 . GLU 9 9 34572 1 . ASP 10 10 34572 1 . ILE 11 11 34572 1 . GLU 12 12 34572 1 . ASN 13 13 34572 1 . THR 14 14 34572 1 . LEU 15 15 34572 1 . ALA 16 16 34572 1 . LYS 17 17 34572 1 . MET 18 18 34572 1 . ASP 19 19 34572 1 . ASP 20 20 34572 1 . GLY 21 21 34572 1 . GLN 22 22 34572 1 . LEU 23 23 34572 1 . ASP 24 24 34572 1 . GLY 25 25 34572 1 . LEU 26 26 34572 1 . ALA 27 27 34572 1 . PHE 28 28 34572 1 . GLY 29 29 34572 1 . ALA 30 30 34572 1 . ILE 31 31 34572 1 . GLN 32 32 34572 1 . LEU 33 33 34572 1 . ASP 34 34 34572 1 . GLY 35 35 34572 1 . ASP 36 36 34572 1 . GLY 37 37 34572 1 . ASN 38 38 34572 1 . ILE 39 39 34572 1 . LEU 40 40 34572 1 . GLN 41 41 34572 1 . TYR 42 42 34572 1 . ASN 43 43 34572 1 . ALA 44 44 34572 1 . ALA 45 45 34572 1 . GLU 46 46 34572 1 . GLY 47 47 34572 1 . ASP 48 48 34572 1 . ILE 49 49 34572 1 . THR 50 50 34572 1 . GLY 51 51 34572 1 . ARG 52 52 34572 1 . ASP 53 53 34572 1 . PRO 54 54 34572 1 . LYS 55 55 34572 1 . GLN 56 56 34572 1 . VAL 57 57 34572 1 . ILE 58 58 34572 1 . GLY 59 59 34572 1 . LYS 60 60 34572 1 . ASN 61 61 34572 1 . PHE 62 62 34572 1 . PHE 63 63 34572 1 . LYS 64 64 34572 1 . ASP 65 65 34572 1 . VAL 66 66 34572 1 . ALA 67 67 34572 1 . PRO 68 68 34572 1 . GLY 69 69 34572 1 . THR 70 70 34572 1 . ASP 71 71 34572 1 . SER 72 72 34572 1 . PRO 73 73 34572 1 . GLU 74 74 34572 1 . PHE 75 75 34572 1 . TYR 76 76 34572 1 . GLY 77 77 34572 1 . LYS 78 78 34572 1 . PHE 79 79 34572 1 . LYS 80 80 34572 1 . GLU 81 81 34572 1 . GLY 82 82 34572 1 . VAL 83 83 34572 1 . ALA 84 84 34572 1 . SER 85 85 34572 1 . GLY 86 86 34572 1 . ASN 87 87 34572 1 . LEU 88 88 34572 1 . ASN 89 89 34572 1 . THR 90 90 34572 1 . MET 91 91 34572 1 . PHE 92 92 34572 1 . GLU 93 93 34572 1 . TRP 94 94 34572 1 . MET 95 95 34572 1 . ILE 96 96 34572 1 . PRO 97 97 34572 1 . THR 98 98 34572 1 . SER 99 99 34572 1 . ARG 100 100 34572 1 . GLY 101 101 34572 1 . PRO 102 102 34572 1 . THR 103 103 34572 1 . LYS 104 104 34572 1 . VAL 105 105 34572 1 . LYS 106 106 34572 1 . VAL 107 107 34572 1 . HIS 108 108 34572 1 . MET 109 109 34572 1 . LYS 110 110 34572 1 . LYS 111 111 34572 1 . ALA 112 112 34572 1 . LEU 113 113 34572 1 . SER 114 114 34572 1 . GLY 115 115 34572 1 . ASP 116 116 34572 1 . SER 117 117 34572 1 . TYR 118 118 34572 1 . TRP 119 119 34572 1 . VAL 120 120 34572 1 . PHE 121 121 34572 1 . VAL 122 122 34572 1 . LYS 123 123 34572 1 . ARG 124 124 34572 1 . VAL 125 125 34572 1 . LYS 126 126 34572 1 . LEU 127 127 34572 1 . ALA 128 128 34572 1 . ALA 129 129 34572 1 . ALA 130 130 34572 1 . LEU 131 131 34572 1 . GLU 132 132 34572 1 . HIS 133 133 34572 1 . HIS 134 134 34572 1 . HIS 135 135 34572 1 . HIS 136 136 34572 1 . HIS 137 137 34572 1 . HIS 138 138 34572 1 stop_ save_ save_entity_S1Q _Entity.Sf_category entity _Entity.Sf_framecode entity_S1Q _Entity.Entry_ID 34572 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_S1Q _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 S1Q _Entity.Nonpolymer_comp_label $chem_comp_S1Q _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 335.357 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 S1Q . 34572 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 34572 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34572 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 34572 _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 . . . . . . . . . . . . 34572 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_S1Q _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_S1Q _Chem_comp.Entry_ID 34572 _Chem_comp.ID S1Q _Chem_comp.Provenance PDB _Chem_comp.Name (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code S1Q _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _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 . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C19 H17 N3 O3' _Chem_comp.Formula_weight 335.357 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34572 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.85 mM [U-13C; U-15N] FAST, 0.90 mM N87, 20 mM sodium phosphate, 20 mM sodium chloride, 0.01 % sodium azide, 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 FAST '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 0.85 . . mM 0.05 . . . 34572 1 2 N87 'natural abundance' . . . . . . 0.90 . . mM 0.01 . . . 34572 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34572 1 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 34572 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34572 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 34572 _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' 40 . mM 34572 1 pH 7.0 . pH 34572 1 pressure 1 . atm 34572 1 temperature 298 . K 34572 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34572 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34572 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34572 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34572 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34572 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34572 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34572 _Software.ID 3 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, Mayzel' . . 34572 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34572 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34572 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Bax' . . 34572 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34572 4 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 34572 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34572 _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 Bruker 'AVANCE III' . 800 . . . 34572 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 34572 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34572 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34572 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34572 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34572 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34572 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34572 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34572 1 8 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34572 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 34572 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34572 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34572 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34572 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 34572 _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-13C NOESY aromatic' . . . 34572 1 2 '3D 1H-13C NOESY aromatic' . . . 34572 1 3 '3D 1H-15N NOESY' . . . 34572 1 4 '3D HCCH-TOCSY' . . . 34572 1 5 '3D HNCO' . . . 34572 1 6 '3D HNCACB' . . . 34572 1 7 '3D HCCH-TOCSY' . . . 34572 1 8 '3D HCCH-COSY' . . . 34572 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 3.929 0.020 . 1 . . . . A 1 MET HA . 34572 1 2 . 1 . 1 1 1 MET HB2 H 1 2.020 0.020 . 2 . . . . A 1 MET HB2 . 34572 1 3 . 1 . 1 1 1 MET HB3 H 1 1.990 0.020 . 2 . . . . A 1 MET HB3 . 34572 1 4 . 1 . 1 1 1 MET HG2 H 1 2.549 0.020 . 2 . . . . A 1 MET HG2 . 34572 1 5 . 1 . 1 1 1 MET HG3 H 1 2.507 0.020 . 2 . . . . A 1 MET HG3 . 34572 1 6 . 1 . 1 1 1 MET HE1 H 1 2.049 0.020 . 1 . . . . A 1 MET HE1 . 34572 1 7 . 1 . 1 1 1 MET HE2 H 1 2.049 0.020 . 1 . . . . A 1 MET HE2 . 34572 1 8 . 1 . 1 1 1 MET HE3 H 1 2.049 0.020 . 1 . . . . A 1 MET HE3 . 34572 1 9 . 1 . 1 1 1 MET CA C 13 54.697 0.400 . 1 . . . . A 1 MET CA . 34572 1 10 . 1 . 1 1 1 MET CB C 13 33.157 0.400 . 1 . . . . A 1 MET CB . 34572 1 11 . 1 . 1 1 1 MET CG C 13 30.552 0.400 . 1 . . . . A 1 MET CG . 34572 1 12 . 1 . 1 1 1 MET CE C 13 16.313 0.400 . 1 . . . . A 1 MET CE . 34572 1 13 . 1 . 1 2 2 GLU HA H 1 4.290 0.020 . 1 . . . . A 2 GLU HA . 34572 1 14 . 1 . 1 2 2 GLU HB2 H 1 1.979 0.020 . 2 . . . . A 2 GLU HB2 . 34572 1 15 . 1 . 1 2 2 GLU HB3 H 1 1.850 0.020 . 2 . . . . A 2 GLU HB3 . 34572 1 16 . 1 . 1 2 2 GLU HG2 H 1 2.236 0.020 . 2 . . . . A 2 GLU HG2 . 34572 1 17 . 1 . 1 2 2 GLU HG3 H 1 2.202 0.020 . 2 . . . . A 2 GLU HG3 . 34572 1 18 . 1 . 1 2 2 GLU C C 13 175.224 0.400 . 1 . . . . A 2 GLU C . 34572 1 19 . 1 . 1 2 2 GLU CA C 13 55.818 0.400 . 1 . . . . A 2 GLU CA . 34572 1 20 . 1 . 1 2 2 GLU CB C 13 29.795 0.400 . 1 . . . . A 2 GLU CB . 34572 1 21 . 1 . 1 2 2 GLU CG C 13 35.512 0.400 . 1 . . . . A 2 GLU CG . 34572 1 22 . 1 . 1 3 3 HIS H H 1 8.502 0.020 . 1 . . . . A 3 HIS H . 34572 1 23 . 1 . 1 3 3 HIS HA H 1 4.570 0.020 . 1 . . . . A 3 HIS HA . 34572 1 24 . 1 . 1 3 3 HIS HB2 H 1 3.047 0.020 . 2 . . . . A 3 HIS HB2 . 34572 1 25 . 1 . 1 3 3 HIS HB3 H 1 3.047 0.020 . 2 . . . . A 3 HIS HB3 . 34572 1 26 . 1 . 1 3 3 HIS HD2 H 1 6.984 0.020 . 1 . . . . A 3 HIS HD2 . 34572 1 27 . 1 . 1 3 3 HIS HE1 H 1 7.841 0.020 . 1 . . . . A 3 HIS HE1 . 34572 1 28 . 1 . 1 3 3 HIS C C 13 174.473 0.400 . 1 . . . . A 3 HIS C . 34572 1 29 . 1 . 1 3 3 HIS CA C 13 55.926 0.400 . 1 . . . . A 3 HIS CA . 34572 1 30 . 1 . 1 3 3 HIS CB C 13 30.144 0.400 . 1 . . . . A 3 HIS CB . 34572 1 31 . 1 . 1 3 3 HIS CD2 C 13 119.394 0.400 . 1 . . . . A 3 HIS CD2 . 34572 1 32 . 1 . 1 3 3 HIS CE1 C 13 137.597 0.400 . 1 . . . . A 3 HIS CE1 . 34572 1 33 . 1 . 1 3 3 HIS N N 15 120.545 0.400 . 1 . . . . A 3 HIS N . 34572 1 34 . 1 . 1 4 4 VAL H H 1 7.737 0.020 . 1 . . . . A 4 VAL H . 34572 1 35 . 1 . 1 4 4 VAL HA H 1 3.961 0.020 . 1 . . . . A 4 VAL HA . 34572 1 36 . 1 . 1 4 4 VAL HB H 1 1.883 0.020 . 1 . . . . A 4 VAL HB . 34572 1 37 . 1 . 1 4 4 VAL HG11 H 1 0.772 0.020 . 2 . . . . A 4 VAL HG11 . 34572 1 38 . 1 . 1 4 4 VAL HG12 H 1 0.772 0.020 . 2 . . . . A 4 VAL HG12 . 34572 1 39 . 1 . 1 4 4 VAL HG13 H 1 0.772 0.020 . 2 . . . . A 4 VAL HG13 . 34572 1 40 . 1 . 1 4 4 VAL HG21 H 1 0.752 0.020 . 2 . . . . A 4 VAL HG21 . 34572 1 41 . 1 . 1 4 4 VAL HG22 H 1 0.752 0.020 . 2 . . . . A 4 VAL HG22 . 34572 1 42 . 1 . 1 4 4 VAL HG23 H 1 0.752 0.020 . 2 . . . . A 4 VAL HG23 . 34572 1 43 . 1 . 1 4 4 VAL C C 13 173.604 0.400 . 1 . . . . A 4 VAL C . 34572 1 44 . 1 . 1 4 4 VAL CA C 13 61.354 0.400 . 1 . . . . A 4 VAL CA . 34572 1 45 . 1 . 1 4 4 VAL CB C 13 32.060 0.400 . 1 . . . . A 4 VAL CB . 34572 1 46 . 1 . 1 4 4 VAL CG1 C 13 20.652 0.400 . 2 . . . . A 4 VAL CG1 . 34572 1 47 . 1 . 1 4 4 VAL CG2 C 13 20.837 0.400 . 2 . . . . A 4 VAL CG2 . 34572 1 48 . 1 . 1 4 4 VAL N N 15 123.249 0.400 . 1 . . . . A 4 VAL N . 34572 1 49 . 1 . 1 5 5 ALA H H 1 8.348 0.020 . 1 . . . . A 5 ALA H . 34572 1 50 . 1 . 1 5 5 ALA HA H 1 4.574 0.020 . 1 . . . . A 5 ALA HA . 34572 1 51 . 1 . 1 5 5 ALA HB1 H 1 1.286 0.020 . 1 . . . . A 5 ALA HB1 . 34572 1 52 . 1 . 1 5 5 ALA HB2 H 1 1.286 0.020 . 1 . . . . A 5 ALA HB2 . 34572 1 53 . 1 . 1 5 5 ALA HB3 H 1 1.286 0.020 . 1 . . . . A 5 ALA HB3 . 34572 1 54 . 1 . 1 5 5 ALA C C 13 176.343 0.400 . 1 . . . . A 5 ALA C . 34572 1 55 . 1 . 1 5 5 ALA CA C 13 50.176 0.400 . 1 . . . . A 5 ALA CA . 34572 1 56 . 1 . 1 5 5 ALA CB C 13 19.647 0.400 . 1 . . . . A 5 ALA CB . 34572 1 57 . 1 . 1 5 5 ALA N N 15 128.997 0.400 . 1 . . . . A 5 ALA N . 34572 1 58 . 1 . 1 6 6 PHE H H 1 8.525 0.020 . 1 . . . . A 6 PHE H . 34572 1 59 . 1 . 1 6 6 PHE HA H 1 2.962 0.020 . 1 . . . . A 6 PHE HA . 34572 1 60 . 1 . 1 6 6 PHE HB2 H 1 2.507 0.020 . 2 . . . . A 6 PHE HB2 . 34572 1 61 . 1 . 1 6 6 PHE HB3 H 1 2.021 0.020 . 2 . . . . A 6 PHE HB3 . 34572 1 62 . 1 . 1 6 6 PHE HD1 H 1 6.417 0.020 . 1 . . . . A 6 PHE HD1 . 34572 1 63 . 1 . 1 6 6 PHE HD2 H 1 6.417 0.020 . 1 . . . . A 6 PHE HD2 . 34572 1 64 . 1 . 1 6 6 PHE HE1 H 1 7.036 0.020 . 1 . . . . A 6 PHE HE1 . 34572 1 65 . 1 . 1 6 6 PHE HE2 H 1 7.036 0.020 . 1 . . . . A 6 PHE HE2 . 34572 1 66 . 1 . 1 6 6 PHE HZ H 1 6.890 0.020 . 1 . . . . A 6 PHE HZ . 34572 1 67 . 1 . 1 6 6 PHE C C 13 176.277 0.400 . 1 . . . . A 6 PHE C . 34572 1 68 . 1 . 1 6 6 PHE CA C 13 58.843 0.400 . 1 . . . . A 6 PHE CA . 34572 1 69 . 1 . 1 6 6 PHE CB C 13 38.283 0.400 . 1 . . . . A 6 PHE CB . 34572 1 70 . 1 . 1 6 6 PHE CD1 C 13 131.205 0.400 . 3 . . . . A 6 PHE CD1 . 34572 1 71 . 1 . 1 6 6 PHE CE1 C 13 130.712 0.400 . 3 . . . . A 6 PHE CE1 . 34572 1 72 . 1 . 1 6 6 PHE CZ C 13 130.436 0.400 . 1 . . . . A 6 PHE CZ . 34572 1 73 . 1 . 1 6 6 PHE N N 15 124.565 0.400 . 1 . . . . A 6 PHE N . 34572 1 74 . 1 . 1 7 7 GLY H H 1 9.161 0.020 . 1 . . . . A 7 GLY H . 34572 1 75 . 1 . 1 7 7 GLY HA2 H 1 3.511 0.020 . 2 . . . . A 7 GLY HA2 . 34572 1 76 . 1 . 1 7 7 GLY HA3 H 1 2.859 0.020 . 2 . . . . A 7 GLY HA3 . 34572 1 77 . 1 . 1 7 7 GLY C C 13 173.091 0.400 . 1 . . . . A 7 GLY C . 34572 1 78 . 1 . 1 7 7 GLY CA C 13 43.764 0.400 . 1 . . . . A 7 GLY CA . 34572 1 79 . 1 . 1 7 7 GLY N N 15 117.664 0.400 . 1 . . . . A 7 GLY N . 34572 1 80 . 1 . 1 8 8 SER H H 1 7.300 0.020 . 1 . . . . A 8 SER H . 34572 1 81 . 1 . 1 8 8 SER HA H 1 4.142 0.020 . 1 . . . . A 8 SER HA . 34572 1 82 . 1 . 1 8 8 SER HB2 H 1 3.864 0.020 . 2 . . . . A 8 SER HB2 . 34572 1 83 . 1 . 1 8 8 SER HB3 H 1 3.911 0.020 . 2 . . . . A 8 SER HB3 . 34572 1 84 . 1 . 1 8 8 SER HG H 1 4.789 0.020 . 1 . . . . A 8 SER HG . 34572 1 85 . 1 . 1 8 8 SER C C 13 175.908 0.400 . 1 . . . . A 8 SER C . 34572 1 86 . 1 . 1 8 8 SER CA C 13 58.567 0.400 . 1 . . . . A 8 SER CA . 34572 1 87 . 1 . 1 8 8 SER CB C 13 63.337 0.400 . 1 . . . . A 8 SER CB . 34572 1 88 . 1 . 1 8 8 SER N N 15 114.338 0.400 . 1 . . . . A 8 SER N . 34572 1 89 . 1 . 1 9 9 GLU H H 1 9.047 0.020 . 1 . . . . A 9 GLU H . 34572 1 90 . 1 . 1 9 9 GLU HA H 1 4.050 0.020 . 1 . . . . A 9 GLU HA . 34572 1 91 . 1 . 1 9 9 GLU HB2 H 1 2.022 0.020 . 2 . . . . A 9 GLU HB2 . 34572 1 92 . 1 . 1 9 9 GLU HB3 H 1 2.022 0.020 . 2 . . . . A 9 GLU HB3 . 34572 1 93 . 1 . 1 9 9 GLU HG2 H 1 2.334 0.020 . 2 . . . . A 9 GLU HG2 . 34572 1 94 . 1 . 1 9 9 GLU HG3 H 1 2.334 0.020 . 2 . . . . A 9 GLU HG3 . 34572 1 95 . 1 . 1 9 9 GLU C C 13 175.013 0.400 . 1 . . . . A 9 GLU C . 34572 1 96 . 1 . 1 9 9 GLU CA C 13 58.301 0.400 . 1 . . . . A 9 GLU CA . 34572 1 97 . 1 . 1 9 9 GLU CB C 13 29.180 0.400 . 1 . . . . A 9 GLU CB . 34572 1 98 . 1 . 1 9 9 GLU CG C 13 35.581 0.400 . 1 . . . . A 9 GLU CG . 34572 1 99 . 1 . 1 9 9 GLU N N 15 124.782 0.400 . 1 . . . . A 9 GLU N . 34572 1 100 . 1 . 1 10 10 ASP H H 1 8.245 0.020 . 1 . . . . A 10 ASP H . 34572 1 101 . 1 . 1 10 10 ASP HA H 1 4.826 0.020 . 1 . . . . A 10 ASP HA . 34572 1 102 . 1 . 1 10 10 ASP HB2 H 1 2.868 0.020 . 2 . . . . A 10 ASP HB2 . 34572 1 103 . 1 . 1 10 10 ASP HB3 H 1 2.586 0.020 . 2 . . . . A 10 ASP HB3 . 34572 1 104 . 1 . 1 10 10 ASP C C 13 177.778 0.400 . 1 . . . . A 10 ASP C . 34572 1 105 . 1 . 1 10 10 ASP CA C 13 51.953 0.400 . 1 . . . . A 10 ASP CA . 34572 1 106 . 1 . 1 10 10 ASP CB C 13 39.924 0.400 . 1 . . . . A 10 ASP CB . 34572 1 107 . 1 . 1 10 10 ASP N N 15 115.068 0.400 . 1 . . . . A 10 ASP N . 34572 1 108 . 1 . 1 11 11 ILE H H 1 7.063 0.020 . 1 . . . . A 11 ILE H . 34572 1 109 . 1 . 1 11 11 ILE HA H 1 3.848 0.020 . 1 . . . . A 11 ILE HA . 34572 1 110 . 1 . 1 11 11 ILE HB H 1 1.840 0.020 . 1 . . . . A 11 ILE HB . 34572 1 111 . 1 . 1 11 11 ILE HG12 H 1 0.937 0.020 . 2 . . . . A 11 ILE HG12 . 34572 1 112 . 1 . 1 11 11 ILE HG13 H 1 0.474 0.020 . 2 . . . . A 11 ILE HG13 . 34572 1 113 . 1 . 1 11 11 ILE HG21 H 1 0.754 0.020 . 1 . . . . A 11 ILE HG21 . 34572 1 114 . 1 . 1 11 11 ILE HG22 H 1 0.754 0.020 . 1 . . . . A 11 ILE HG22 . 34572 1 115 . 1 . 1 11 11 ILE HG23 H 1 0.754 0.020 . 1 . . . . A 11 ILE HG23 . 34572 1 116 . 1 . 1 11 11 ILE HD11 H 1 0.187 0.020 . 1 . . . . A 11 ILE HD11 . 34572 1 117 . 1 . 1 11 11 ILE HD12 H 1 0.187 0.020 . 1 . . . . A 11 ILE HD12 . 34572 1 118 . 1 . 1 11 11 ILE HD13 H 1 0.187 0.020 . 1 . . . . A 11 ILE HD13 . 34572 1 119 . 1 . 1 11 11 ILE C C 13 174.065 0.400 . 1 . . . . A 11 ILE C . 34572 1 120 . 1 . 1 11 11 ILE CA C 13 63.271 0.400 . 1 . . . . A 11 ILE CA . 34572 1 121 . 1 . 1 11 11 ILE CB C 13 37.274 0.400 . 1 . . . . A 11 ILE CB . 34572 1 122 . 1 . 1 11 11 ILE CG1 C 13 28.574 0.400 . 1 . . . . A 11 ILE CG1 . 34572 1 123 . 1 . 1 11 11 ILE CG2 C 13 16.462 0.400 . 1 . . . . A 11 ILE CG2 . 34572 1 124 . 1 . 1 11 11 ILE CD1 C 13 13.470 0.400 . 1 . . . . A 11 ILE CD1 . 34572 1 125 . 1 . 1 11 11 ILE N N 15 120.259 0.400 . 1 . . . . A 11 ILE N . 34572 1 126 . 1 . 1 12 12 GLU H H 1 10.646 0.020 . 1 . . . . A 12 GLU H . 34572 1 127 . 1 . 1 12 12 GLU HA H 1 4.021 0.020 . 1 . . . . A 12 GLU HA . 34572 1 128 . 1 . 1 12 12 GLU HB2 H 1 2.260 0.020 . 2 . . . . A 12 GLU HB2 . 34572 1 129 . 1 . 1 12 12 GLU HB3 H 1 2.089 0.020 . 2 . . . . A 12 GLU HB3 . 34572 1 130 . 1 . 1 12 12 GLU HG2 H 1 2.311 0.020 . 2 . . . . A 12 GLU HG2 . 34572 1 131 . 1 . 1 12 12 GLU HG3 H 1 2.604 0.020 . 2 . . . . A 12 GLU HG3 . 34572 1 132 . 1 . 1 12 12 GLU C C 13 177.778 0.400 . 1 . . . . A 12 GLU C . 34572 1 133 . 1 . 1 12 12 GLU CA C 13 58.130 0.400 . 1 . . . . A 12 GLU CA . 34572 1 134 . 1 . 1 12 12 GLU CB C 13 27.223 0.400 . 1 . . . . A 12 GLU CB . 34572 1 135 . 1 . 1 12 12 GLU CG C 13 34.584 0.400 . 1 . . . . A 12 GLU CG . 34572 1 136 . 1 . 1 12 12 GLU N N 15 123.111 0.400 . 1 . . . . A 12 GLU N . 34572 1 137 . 1 . 1 13 13 ASN H H 1 7.924 0.020 . 1 . . . . A 13 ASN H . 34572 1 138 . 1 . 1 13 13 ASN HA H 1 4.583 0.020 . 1 . . . . A 13 ASN HA . 34572 1 139 . 1 . 1 13 13 ASN HB2 H 1 2.927 0.020 . 2 . . . . A 13 ASN HB2 . 34572 1 140 . 1 . 1 13 13 ASN HB3 H 1 2.927 0.020 . 2 . . . . A 13 ASN HB3 . 34572 1 141 . 1 . 1 13 13 ASN HD21 H 1 7.730 0.020 . 2 . . . . A 13 ASN HD21 . 34572 1 142 . 1 . 1 13 13 ASN HD22 H 1 6.816 0.020 . 2 . . . . A 13 ASN HD22 . 34572 1 143 . 1 . 1 13 13 ASN C C 13 176.474 0.400 . 1 . . . . A 13 ASN C . 34572 1 144 . 1 . 1 13 13 ASN CA C 13 55.482 0.400 . 1 . . . . A 13 ASN CA . 34572 1 145 . 1 . 1 13 13 ASN CB C 13 37.986 0.400 . 1 . . . . A 13 ASN CB . 34572 1 146 . 1 . 1 13 13 ASN N N 15 122.941 0.400 . 1 . . . . A 13 ASN N . 34572 1 147 . 1 . 1 13 13 ASN ND2 N 15 112.243 0.400 . 1 . . . . A 13 ASN ND2 . 34572 1 148 . 1 . 1 14 14 THR H H 1 7.755 0.020 . 1 . . . . A 14 THR H . 34572 1 149 . 1 . 1 14 14 THR HA H 1 3.796 0.020 . 1 . . . . A 14 THR HA . 34572 1 150 . 1 . 1 14 14 THR HB H 1 4.092 0.020 . 1 . . . . A 14 THR HB . 34572 1 151 . 1 . 1 14 14 THR HG21 H 1 1.125 0.020 . 1 . . . . A 14 THR HG21 . 34572 1 152 . 1 . 1 14 14 THR HG22 H 1 1.125 0.020 . 1 . . . . A 14 THR HG22 . 34572 1 153 . 1 . 1 14 14 THR HG23 H 1 1.125 0.020 . 1 . . . . A 14 THR HG23 . 34572 1 154 . 1 . 1 14 14 THR C C 13 176.290 0.400 . 1 . . . . A 14 THR C . 34572 1 155 . 1 . 1 14 14 THR CA C 13 65.353 0.400 . 1 . . . . A 14 THR CA . 34572 1 156 . 1 . 1 14 14 THR CB C 13 67.649 0.400 . 1 . . . . A 14 THR CB . 34572 1 157 . 1 . 1 14 14 THR CG2 C 13 22.421 0.400 . 1 . . . . A 14 THR CG2 . 34572 1 158 . 1 . 1 14 14 THR N N 15 117.425 0.400 . 1 . . . . A 14 THR N . 34572 1 159 . 1 . 1 15 15 LEU H H 1 8.030 0.020 . 1 . . . . A 15 LEU H . 34572 1 160 . 1 . 1 15 15 LEU HA H 1 4.082 0.020 . 1 . . . . A 15 LEU HA . 34572 1 161 . 1 . 1 15 15 LEU HB2 H 1 1.237 0.020 . 2 . . . . A 15 LEU HB2 . 34572 1 162 . 1 . 1 15 15 LEU HB3 H 1 1.459 0.020 . 2 . . . . A 15 LEU HB3 . 34572 1 163 . 1 . 1 15 15 LEU HG H 1 1.512 0.020 . 1 . . . . A 15 LEU HG . 34572 1 164 . 1 . 1 15 15 LEU HD11 H 1 0.227 0.020 . 2 . . . . A 15 LEU HD11 . 34572 1 165 . 1 . 1 15 15 LEU HD12 H 1 0.227 0.020 . 2 . . . . A 15 LEU HD12 . 34572 1 166 . 1 . 1 15 15 LEU HD13 H 1 0.227 0.020 . 2 . . . . A 15 LEU HD13 . 34572 1 167 . 1 . 1 15 15 LEU HD21 H 1 0.318 0.020 . 2 . . . . A 15 LEU HD21 . 34572 1 168 . 1 . 1 15 15 LEU HD22 H 1 0.318 0.020 . 2 . . . . A 15 LEU HD22 . 34572 1 169 . 1 . 1 15 15 LEU HD23 H 1 0.318 0.020 . 2 . . . . A 15 LEU HD23 . 34572 1 170 . 1 . 1 15 15 LEU C C 13 178.463 0.400 . 1 . . . . A 15 LEU C . 34572 1 171 . 1 . 1 15 15 LEU CA C 13 56.291 0.400 . 1 . . . . A 15 LEU CA . 34572 1 172 . 1 . 1 15 15 LEU CB C 13 39.914 0.400 . 1 . . . . A 15 LEU CB . 34572 1 173 . 1 . 1 15 15 LEU CG C 13 27.530 0.400 . 1 . . . . A 15 LEU CG . 34572 1 174 . 1 . 1 15 15 LEU CD1 C 13 24.187 0.400 . 2 . . . . A 15 LEU CD1 . 34572 1 175 . 1 . 1 15 15 LEU CD2 C 13 22.993 0.400 . 2 . . . . A 15 LEU CD2 . 34572 1 176 . 1 . 1 15 15 LEU N N 15 119.903 0.400 . 1 . . . . A 15 LEU N . 34572 1 177 . 1 . 1 16 16 ALA H H 1 7.268 0.020 . 1 . . . . A 16 ALA H . 34572 1 178 . 1 . 1 16 16 ALA HA H 1 4.355 0.020 . 1 . . . . A 16 ALA HA . 34572 1 179 . 1 . 1 16 16 ALA HB1 H 1 1.683 0.020 . 1 . . . . A 16 ALA HB1 . 34572 1 180 . 1 . 1 16 16 ALA HB2 H 1 1.683 0.020 . 1 . . . . A 16 ALA HB2 . 34572 1 181 . 1 . 1 16 16 ALA HB3 H 1 1.683 0.020 . 1 . . . . A 16 ALA HB3 . 34572 1 182 . 1 . 1 16 16 ALA C C 13 177.857 0.400 . 1 . . . . A 16 ALA C . 34572 1 183 . 1 . 1 16 16 ALA CA C 13 53.975 0.400 . 1 . . . . A 16 ALA CA . 34572 1 184 . 1 . 1 16 16 ALA CB C 13 18.870 0.400 . 1 . . . . A 16 ALA CB . 34572 1 185 . 1 . 1 16 16 ALA N N 15 119.799 0.400 . 1 . . . . A 16 ALA N . 34572 1 186 . 1 . 1 17 17 LYS H H 1 7.342 0.020 . 1 . . . . A 17 LYS H . 34572 1 187 . 1 . 1 17 17 LYS HA H 1 4.408 0.020 . 1 . . . . A 17 LYS HA . 34572 1 188 . 1 . 1 17 17 LYS HB2 H 1 2.070 0.020 . 2 . . . . A 17 LYS HB2 . 34572 1 189 . 1 . 1 17 17 LYS HB3 H 1 1.792 0.020 . 2 . . . . A 17 LYS HB3 . 34572 1 190 . 1 . 1 17 17 LYS HG2 H 1 1.542 0.020 . 2 . . . . A 17 LYS HG2 . 34572 1 191 . 1 . 1 17 17 LYS HG3 H 1 1.462 0.020 . 2 . . . . A 17 LYS HG3 . 34572 1 192 . 1 . 1 17 17 LYS HD2 H 1 1.709 0.020 . 2 . . . . A 17 LYS HD2 . 34572 1 193 . 1 . 1 17 17 LYS HD3 H 1 1.676 0.020 . 2 . . . . A 17 LYS HD3 . 34572 1 194 . 1 . 1 17 17 LYS HE2 H 1 2.994 0.020 . 2 . . . . A 17 LYS HE2 . 34572 1 195 . 1 . 1 17 17 LYS HE3 H 1 2.994 0.020 . 2 . . . . A 17 LYS HE3 . 34572 1 196 . 1 . 1 17 17 LYS C C 13 175.921 0.400 . 1 . . . . A 17 LYS C . 34572 1 197 . 1 . 1 17 17 LYS CA C 13 55.129 0.400 . 1 . . . . A 17 LYS CA . 34572 1 198 . 1 . 1 17 17 LYS CB C 13 32.126 0.400 . 1 . . . . A 17 LYS CB . 34572 1 199 . 1 . 1 17 17 LYS CG C 13 24.340 0.400 . 1 . . . . A 17 LYS CG . 34572 1 200 . 1 . 1 17 17 LYS CD C 13 28.503 0.400 . 1 . . . . A 17 LYS CD . 34572 1 201 . 1 . 1 17 17 LYS CE C 13 41.639 0.400 . 1 . . . . A 17 LYS CE . 34572 1 202 . 1 . 1 17 17 LYS N N 15 114.126 0.400 . 1 . . . . A 17 LYS N . 34572 1 203 . 1 . 1 18 18 MET H H 1 7.445 0.020 . 1 . . . . A 18 MET H . 34572 1 204 . 1 . 1 18 18 MET HA H 1 4.468 0.020 . 1 . . . . A 18 MET HA . 34572 1 205 . 1 . 1 18 18 MET HB2 H 1 2.105 0.020 . 2 . . . . A 18 MET HB2 . 34572 1 206 . 1 . 1 18 18 MET HB3 H 1 2.049 0.020 . 2 . . . . A 18 MET HB3 . 34572 1 207 . 1 . 1 18 18 MET HG2 H 1 2.391 0.020 . 2 . . . . A 18 MET HG2 . 34572 1 208 . 1 . 1 18 18 MET HG3 H 1 2.735 0.020 . 2 . . . . A 18 MET HG3 . 34572 1 209 . 1 . 1 18 18 MET HE1 H 1 1.888 0.020 . 1 . . . . A 18 MET HE1 . 34572 1 210 . 1 . 1 18 18 MET HE2 H 1 1.888 0.020 . 1 . . . . A 18 MET HE2 . 34572 1 211 . 1 . 1 18 18 MET HE3 H 1 1.888 0.020 . 1 . . . . A 18 MET HE3 . 34572 1 212 . 1 . 1 18 18 MET C C 13 175.382 0.400 . 1 . . . . A 18 MET C . 34572 1 213 . 1 . 1 18 18 MET CA C 13 56.059 0.400 . 1 . . . . A 18 MET CA . 34572 1 214 . 1 . 1 18 18 MET CB C 13 33.444 0.400 . 1 . . . . A 18 MET CB . 34572 1 215 . 1 . 1 18 18 MET CG C 13 32.740 0.400 . 1 . . . . A 18 MET CG . 34572 1 216 . 1 . 1 18 18 MET CE C 13 17.421 0.400 . 1 . . . . A 18 MET CE . 34572 1 217 . 1 . 1 18 18 MET N N 15 119.331 0.400 . 1 . . . . A 18 MET N . 34572 1 218 . 1 . 1 19 19 ASP H H 1 8.342 0.020 . 1 . . . . A 19 ASP H . 34572 1 219 . 1 . 1 19 19 ASP HA H 1 4.758 0.020 . 1 . . . . A 19 ASP HA . 34572 1 220 . 1 . 1 19 19 ASP HB2 H 1 2.942 0.020 . 2 . . . . A 19 ASP HB2 . 34572 1 221 . 1 . 1 19 19 ASP HB3 H 1 2.762 0.020 . 2 . . . . A 19 ASP HB3 . 34572 1 222 . 1 . 1 19 19 ASP C C 13 175.790 0.400 . 1 . . . . A 19 ASP C . 34572 1 223 . 1 . 1 19 19 ASP CA C 13 52.300 0.400 . 1 . . . . A 19 ASP CA . 34572 1 224 . 1 . 1 19 19 ASP CB C 13 41.125 0.400 . 1 . . . . A 19 ASP CB . 34572 1 225 . 1 . 1 19 19 ASP N N 15 121.640 0.400 . 1 . . . . A 19 ASP N . 34572 1 226 . 1 . 1 20 20 ASP H H 1 8.574 0.020 . 1 . . . . A 20 ASP H . 34572 1 227 . 1 . 1 20 20 ASP HA H 1 4.340 0.020 . 1 . . . . A 20 ASP HA . 34572 1 228 . 1 . 1 20 20 ASP HB2 H 1 2.803 0.020 . 2 . . . . A 20 ASP HB2 . 34572 1 229 . 1 . 1 20 20 ASP HB3 H 1 2.673 0.020 . 2 . . . . A 20 ASP HB3 . 34572 1 230 . 1 . 1 20 20 ASP C C 13 177.541 0.400 . 1 . . . . A 20 ASP C . 34572 1 231 . 1 . 1 20 20 ASP CA C 13 56.458 0.400 . 1 . . . . A 20 ASP CA . 34572 1 232 . 1 . 1 20 20 ASP CB C 13 39.779 0.400 . 1 . . . . A 20 ASP CB . 34572 1 233 . 1 . 1 20 20 ASP N N 15 118.829 0.400 . 1 . . . . A 20 ASP N . 34572 1 234 . 1 . 1 21 21 GLY H H 1 8.435 0.020 . 1 . . . . A 21 GLY H . 34572 1 235 . 1 . 1 21 21 GLY HA2 H 1 4.067 0.020 . 2 . . . . A 21 GLY HA2 . 34572 1 236 . 1 . 1 21 21 GLY HA3 H 1 3.972 0.020 . 2 . . . . A 21 GLY HA3 . 34572 1 237 . 1 . 1 21 21 GLY C C 13 176.435 0.400 . 1 . . . . A 21 GLY C . 34572 1 238 . 1 . 1 21 21 GLY CA C 13 46.011 0.400 . 1 . . . . A 21 GLY CA . 34572 1 239 . 1 . 1 21 21 GLY N N 15 108.963 0.400 . 1 . . . . A 21 GLY N . 34572 1 240 . 1 . 1 22 22 GLN H H 1 8.190 0.020 . 1 . . . . A 22 GLN H . 34572 1 241 . 1 . 1 22 22 GLN HA H 1 4.190 0.020 . 1 . . . . A 22 GLN HA . 34572 1 242 . 1 . 1 22 22 GLN HB2 H 1 2.236 0.020 . 2 . . . . A 22 GLN HB2 . 34572 1 243 . 1 . 1 22 22 GLN HB3 H 1 2.168 0.020 . 2 . . . . A 22 GLN HB3 . 34572 1 244 . 1 . 1 22 22 GLN HG2 H 1 2.387 0.020 . 2 . . . . A 22 GLN HG2 . 34572 1 245 . 1 . 1 22 22 GLN HG3 H 1 2.609 0.020 . 2 . . . . A 22 GLN HG3 . 34572 1 246 . 1 . 1 22 22 GLN HE21 H 1 7.615 0.020 . 2 . . . . A 22 GLN HE21 . 34572 1 247 . 1 . 1 22 22 GLN HE22 H 1 6.872 0.020 . 2 . . . . A 22 GLN HE22 . 34572 1 248 . 1 . 1 22 22 GLN C C 13 178.923 0.400 . 1 . . . . A 22 GLN C . 34572 1 249 . 1 . 1 22 22 GLN CA C 13 57.809 0.400 . 1 . . . . A 22 GLN CA . 34572 1 250 . 1 . 1 22 22 GLN CB C 13 28.507 0.400 . 1 . . . . A 22 GLN CB . 34572 1 251 . 1 . 1 22 22 GLN CG C 13 34.582 0.400 . 1 . . . . A 22 GLN CG . 34572 1 252 . 1 . 1 22 22 GLN N N 15 120.904 0.400 . 1 . . . . A 22 GLN N . 34572 1 253 . 1 . 1 22 22 GLN NE2 N 15 111.903 0.400 . 1 . . . . A 22 GLN NE2 . 34572 1 254 . 1 . 1 23 23 LEU H H 1 8.487 0.020 . 1 . . . . A 23 LEU H . 34572 1 255 . 1 . 1 23 23 LEU HA H 1 4.032 0.020 . 1 . . . . A 23 LEU HA . 34572 1 256 . 1 . 1 23 23 LEU HB2 H 1 1.928 0.020 . 2 . . . . A 23 LEU HB2 . 34572 1 257 . 1 . 1 23 23 LEU HB3 H 1 1.791 0.020 . 2 . . . . A 23 LEU HB3 . 34572 1 258 . 1 . 1 23 23 LEU HG H 1 1.872 0.020 . 1 . . . . A 23 LEU HG . 34572 1 259 . 1 . 1 23 23 LEU HD11 H 1 0.997 0.020 . 2 . . . . A 23 LEU HD11 . 34572 1 260 . 1 . 1 23 23 LEU HD12 H 1 0.997 0.020 . 2 . . . . A 23 LEU HD12 . 34572 1 261 . 1 . 1 23 23 LEU HD13 H 1 0.997 0.020 . 2 . . . . A 23 LEU HD13 . 34572 1 262 . 1 . 1 23 23 LEU HD21 H 1 0.986 0.020 . 2 . . . . A 23 LEU HD21 . 34572 1 263 . 1 . 1 23 23 LEU HD22 H 1 0.986 0.020 . 2 . . . . A 23 LEU HD22 . 34572 1 264 . 1 . 1 23 23 LEU HD23 H 1 0.986 0.020 . 2 . . . . A 23 LEU HD23 . 34572 1 265 . 1 . 1 23 23 LEU C C 13 179.582 0.400 . 1 . . . . A 23 LEU C . 34572 1 266 . 1 . 1 23 23 LEU CA C 13 57.067 0.400 . 1 . . . . A 23 LEU CA . 34572 1 267 . 1 . 1 23 23 LEU CB C 13 41.364 0.400 . 1 . . . . A 23 LEU CB . 34572 1 268 . 1 . 1 23 23 LEU CG C 13 26.646 0.400 . 1 . . . . A 23 LEU CG . 34572 1 269 . 1 . 1 23 23 LEU CD1 C 13 24.612 0.400 . 2 . . . . A 23 LEU CD1 . 34572 1 270 . 1 . 1 23 23 LEU CD2 C 13 24.067 0.400 . 2 . . . . A 23 LEU CD2 . 34572 1 271 . 1 . 1 23 23 LEU N N 15 122.031 0.400 . 1 . . . . A 23 LEU N . 34572 1 272 . 1 . 1 24 24 ASP H H 1 7.903 0.020 . 1 . . . . A 24 ASP H . 34572 1 273 . 1 . 1 24 24 ASP HA H 1 4.968 0.020 . 1 . . . . A 24 ASP HA . 34572 1 274 . 1 . 1 24 24 ASP HB2 H 1 2.888 0.020 . 2 . . . . A 24 ASP HB2 . 34572 1 275 . 1 . 1 24 24 ASP HB3 H 1 2.888 0.020 . 2 . . . . A 24 ASP HB3 . 34572 1 276 . 1 . 1 24 24 ASP C C 13 176.883 0.400 . 1 . . . . A 24 ASP C . 34572 1 277 . 1 . 1 24 24 ASP CA C 13 56.139 0.400 . 1 . . . . A 24 ASP CA . 34572 1 278 . 1 . 1 24 24 ASP CB C 13 39.842 0.400 . 1 . . . . A 24 ASP CB . 34572 1 279 . 1 . 1 24 24 ASP N N 15 117.411 0.400 . 1 . . . . A 24 ASP N . 34572 1 280 . 1 . 1 25 25 GLY H H 1 8.056 0.020 . 1 . . . . A 25 GLY H . 34572 1 281 . 1 . 1 25 25 GLY HA2 H 1 4.312 0.020 . 2 . . . . A 25 GLY HA2 . 34572 1 282 . 1 . 1 25 25 GLY HA3 H 1 3.772 0.020 . 2 . . . . A 25 GLY HA3 . 34572 1 283 . 1 . 1 25 25 GLY C C 13 173.907 0.400 . 1 . . . . A 25 GLY C . 34572 1 284 . 1 . 1 25 25 GLY CA C 13 44.314 0.400 . 1 . . . . A 25 GLY CA . 34572 1 285 . 1 . 1 25 25 GLY N N 15 108.632 0.400 . 1 . . . . A 25 GLY N . 34572 1 286 . 1 . 1 26 26 LEU H H 1 7.035 0.020 . 1 . . . . A 26 LEU H . 34572 1 287 . 1 . 1 26 26 LEU HA H 1 4.092 0.020 . 1 . . . . A 26 LEU HA . 34572 1 288 . 1 . 1 26 26 LEU HB2 H 1 1.414 0.020 . 2 . . . . A 26 LEU HB2 . 34572 1 289 . 1 . 1 26 26 LEU HB3 H 1 0.658 0.020 . 2 . . . . A 26 LEU HB3 . 34572 1 290 . 1 . 1 26 26 LEU HG H 1 1.604 0.020 . 1 . . . . A 26 LEU HG . 34572 1 291 . 1 . 1 26 26 LEU HD11 H 1 0.602 0.020 . 2 . . . . A 26 LEU HD11 . 34572 1 292 . 1 . 1 26 26 LEU HD12 H 1 0.602 0.020 . 2 . . . . A 26 LEU HD12 . 34572 1 293 . 1 . 1 26 26 LEU HD13 H 1 0.602 0.020 . 2 . . . . A 26 LEU HD13 . 34572 1 294 . 1 . 1 26 26 LEU HD21 H 1 0.540 0.020 . 2 . . . . A 26 LEU HD21 . 34572 1 295 . 1 . 1 26 26 LEU HD22 H 1 0.540 0.020 . 2 . . . . A 26 LEU HD22 . 34572 1 296 . 1 . 1 26 26 LEU HD23 H 1 0.540 0.020 . 2 . . . . A 26 LEU HD23 . 34572 1 297 . 1 . 1 26 26 LEU C C 13 176.659 0.400 . 1 . . . . A 26 LEU C . 34572 1 298 . 1 . 1 26 26 LEU CA C 13 54.256 0.400 . 1 . . . . A 26 LEU CA . 34572 1 299 . 1 . 1 26 26 LEU CB C 13 42.705 0.400 . 1 . . . . A 26 LEU CB . 34572 1 300 . 1 . 1 26 26 LEU CG C 13 26.183 0.400 . 1 . . . . A 26 LEU CG . 34572 1 301 . 1 . 1 26 26 LEU CD1 C 13 24.908 0.400 . 2 . . . . A 26 LEU CD1 . 34572 1 302 . 1 . 1 26 26 LEU CD2 C 13 22.564 0.400 . 2 . . . . A 26 LEU CD2 . 34572 1 303 . 1 . 1 26 26 LEU N N 15 119.901 0.400 . 1 . . . . A 26 LEU N . 34572 1 304 . 1 . 1 27 27 ALA H H 1 8.707 0.020 . 1 . . . . A 27 ALA H . 34572 1 305 . 1 . 1 27 27 ALA HA H 1 4.336 0.020 . 1 . . . . A 27 ALA HA . 34572 1 306 . 1 . 1 27 27 ALA HB1 H 1 1.572 0.020 . 1 . . . . A 27 ALA HB1 . 34572 1 307 . 1 . 1 27 27 ALA HB2 H 1 1.572 0.020 . 1 . . . . A 27 ALA HB2 . 34572 1 308 . 1 . 1 27 27 ALA HB3 H 1 1.572 0.020 . 1 . . . . A 27 ALA HB3 . 34572 1 309 . 1 . 1 27 27 ALA C C 13 175.711 0.400 . 1 . . . . A 27 ALA C . 34572 1 310 . 1 . 1 27 27 ALA CA C 13 51.757 0.400 . 1 . . . . A 27 ALA CA . 34572 1 311 . 1 . 1 27 27 ALA CB C 13 18.509 0.400 . 1 . . . . A 27 ALA CB . 34572 1 312 . 1 . 1 27 27 ALA N N 15 121.787 0.400 . 1 . . . . A 27 ALA N . 34572 1 313 . 1 . 1 28 28 PHE H H 1 6.631 0.020 . 1 . . . . A 28 PHE H . 34572 1 314 . 1 . 1 28 28 PHE HA H 1 5.022 0.020 . 1 . . . . A 28 PHE HA . 34572 1 315 . 1 . 1 28 28 PHE HB2 H 1 3.717 0.020 . 2 . . . . A 28 PHE HB2 . 34572 1 316 . 1 . 1 28 28 PHE HB3 H 1 3.063 0.020 . 2 . . . . A 28 PHE HB3 . 34572 1 317 . 1 . 1 28 28 PHE HD1 H 1 7.490 0.020 . 1 . . . . A 28 PHE HD1 . 34572 1 318 . 1 . 1 28 28 PHE HD2 H 1 7.490 0.020 . 1 . . . . A 28 PHE HD2 . 34572 1 319 . 1 . 1 28 28 PHE HE1 H 1 7.170 0.020 . 1 . . . . A 28 PHE HE1 . 34572 1 320 . 1 . 1 28 28 PHE HE2 H 1 7.170 0.020 . 1 . . . . A 28 PHE HE2 . 34572 1 321 . 1 . 1 28 28 PHE HZ H 1 6.680 0.020 . 1 . . . . A 28 PHE HZ . 34572 1 322 . 1 . 1 28 28 PHE C C 13 172.867 0.400 . 1 . . . . A 28 PHE C . 34572 1 323 . 1 . 1 28 28 PHE CA C 13 53.344 0.400 . 1 . . . . A 28 PHE CA . 34572 1 324 . 1 . 1 28 28 PHE CB C 13 38.970 0.400 . 1 . . . . A 28 PHE CB . 34572 1 325 . 1 . 1 28 28 PHE CD1 C 13 132.608 0.400 . 3 . . . . A 28 PHE CD1 . 34572 1 326 . 1 . 1 28 28 PHE CE1 C 13 130.546 0.400 . 3 . . . . A 28 PHE CE1 . 34572 1 327 . 1 . 1 28 28 PHE CZ C 13 128.887 0.400 . 1 . . . . A 28 PHE CZ . 34572 1 328 . 1 . 1 28 28 PHE N N 15 113.636 0.400 . 1 . . . . A 28 PHE N . 34572 1 329 . 1 . 1 29 29 GLY H H 1 9.337 0.020 . 1 . . . . A 29 GLY H . 34572 1 330 . 1 . 1 29 29 GLY HA2 H 1 4.711 0.020 . 2 . . . . A 29 GLY HA2 . 34572 1 331 . 1 . 1 29 29 GLY HA3 H 1 4.414 0.020 . 2 . . . . A 29 GLY HA3 . 34572 1 332 . 1 . 1 29 29 GLY C C 13 172.972 0.400 . 1 . . . . A 29 GLY C . 34572 1 333 . 1 . 1 29 29 GLY CA C 13 44.935 0.400 . 1 . . . . A 29 GLY CA . 34572 1 334 . 1 . 1 29 29 GLY N N 15 108.254 0.400 . 1 . . . . A 29 GLY N . 34572 1 335 . 1 . 1 30 30 ALA H H 1 8.148 0.020 . 1 . . . . A 30 ALA H . 34572 1 336 . 1 . 1 30 30 ALA HA H 1 5.402 0.020 . 1 . . . . A 30 ALA HA . 34572 1 337 . 1 . 1 30 30 ALA HB1 H 1 1.404 0.020 . 1 . . . . A 30 ALA HB1 . 34572 1 338 . 1 . 1 30 30 ALA HB2 H 1 1.404 0.020 . 1 . . . . A 30 ALA HB2 . 34572 1 339 . 1 . 1 30 30 ALA HB3 H 1 1.404 0.020 . 1 . . . . A 30 ALA HB3 . 34572 1 340 . 1 . 1 30 30 ALA C C 13 173.644 0.400 . 1 . . . . A 30 ALA C . 34572 1 341 . 1 . 1 30 30 ALA CA C 13 51.248 0.400 . 1 . . . . A 30 ALA CA . 34572 1 342 . 1 . 1 30 30 ALA CB C 13 21.700 0.400 . 1 . . . . A 30 ALA CB . 34572 1 343 . 1 . 1 30 30 ALA N N 15 122.838 0.400 . 1 . . . . A 30 ALA N . 34572 1 344 . 1 . 1 31 31 ILE H H 1 8.942 0.020 . 1 . . . . A 31 ILE H . 34572 1 345 . 1 . 1 31 31 ILE HA H 1 4.612 0.020 . 1 . . . . A 31 ILE HA . 34572 1 346 . 1 . 1 31 31 ILE HB H 1 1.584 0.020 . 1 . . . . A 31 ILE HB . 34572 1 347 . 1 . 1 31 31 ILE HG12 H 1 0.709 0.020 . 2 . . . . A 31 ILE HG12 . 34572 1 348 . 1 . 1 31 31 ILE HG13 H 1 1.277 0.020 . 2 . . . . A 31 ILE HG13 . 34572 1 349 . 1 . 1 31 31 ILE HG21 H 1 0.853 0.020 . 1 . . . . A 31 ILE HG21 . 34572 1 350 . 1 . 1 31 31 ILE HG22 H 1 0.853 0.020 . 1 . . . . A 31 ILE HG22 . 34572 1 351 . 1 . 1 31 31 ILE HG23 H 1 0.853 0.020 . 1 . . . . A 31 ILE HG23 . 34572 1 352 . 1 . 1 31 31 ILE HD11 H 1 0.657 0.020 . 1 . . . . A 31 ILE HD11 . 34572 1 353 . 1 . 1 31 31 ILE HD12 H 1 0.657 0.020 . 1 . . . . A 31 ILE HD12 . 34572 1 354 . 1 . 1 31 31 ILE HD13 H 1 0.657 0.020 . 1 . . . . A 31 ILE HD13 . 34572 1 355 . 1 . 1 31 31 ILE C C 13 174.289 0.400 . 1 . . . . A 31 ILE C . 34572 1 356 . 1 . 1 31 31 ILE CA C 13 58.490 0.400 . 1 . . . . A 31 ILE CA . 34572 1 357 . 1 . 1 31 31 ILE CB C 13 41.753 0.400 . 1 . . . . A 31 ILE CB . 34572 1 358 . 1 . 1 31 31 ILE CG1 C 13 25.358 0.400 . 1 . . . . A 31 ILE CG1 . 34572 1 359 . 1 . 1 31 31 ILE CG2 C 13 17.784 0.400 . 1 . . . . A 31 ILE CG2 . 34572 1 360 . 1 . 1 31 31 ILE CD1 C 13 13.651 0.400 . 1 . . . . A 31 ILE CD1 . 34572 1 361 . 1 . 1 31 31 ILE N N 15 122.322 0.400 . 1 . . . . A 31 ILE N . 34572 1 362 . 1 . 1 32 32 GLN H H 1 8.499 0.020 . 1 . . . . A 32 GLN H . 34572 1 363 . 1 . 1 32 32 GLN HA H 1 4.703 0.020 . 1 . . . . A 32 GLN HA . 34572 1 364 . 1 . 1 32 32 GLN HB2 H 1 1.668 0.020 . 2 . . . . A 32 GLN HB2 . 34572 1 365 . 1 . 1 32 32 GLN HB3 H 1 0.881 0.020 . 2 . . . . A 32 GLN HB3 . 34572 1 366 . 1 . 1 32 32 GLN HG2 H 1 1.504 0.020 . 2 . . . . A 32 GLN HG2 . 34572 1 367 . 1 . 1 32 32 GLN HG3 H 1 0.681 0.020 . 2 . . . . A 32 GLN HG3 . 34572 1 368 . 1 . 1 32 32 GLN HE21 H 1 6.540 0.020 . 2 . . . . A 32 GLN HE21 . 34572 1 369 . 1 . 1 32 32 GLN HE22 H 1 6.071 0.020 . 2 . . . . A 32 GLN HE22 . 34572 1 370 . 1 . 1 32 32 GLN C C 13 173.696 0.400 . 1 . . . . A 32 GLN C . 34572 1 371 . 1 . 1 32 32 GLN CA C 13 53.073 0.400 . 1 . . . . A 32 GLN CA . 34572 1 372 . 1 . 1 32 32 GLN CB C 13 30.977 0.400 . 1 . . . . A 32 GLN CB . 34572 1 373 . 1 . 1 32 32 GLN CG C 13 33.235 0.400 . 1 . . . . A 32 GLN CG . 34572 1 374 . 1 . 1 32 32 GLN N N 15 126.664 0.400 . 1 . . . . A 32 GLN N . 34572 1 375 . 1 . 1 32 32 GLN NE2 N 15 109.664 0.400 . 1 . . . . A 32 GLN NE2 . 34572 1 376 . 1 . 1 33 33 LEU H H 1 9.597 0.020 . 1 . . . . A 33 LEU H . 34572 1 377 . 1 . 1 33 33 LEU HA H 1 5.589 0.020 . 1 . . . . A 33 LEU HA . 34572 1 378 . 1 . 1 33 33 LEU HB2 H 1 1.810 0.020 . 2 . . . . A 33 LEU HB2 . 34572 1 379 . 1 . 1 33 33 LEU HB3 H 1 1.670 0.020 . 2 . . . . A 33 LEU HB3 . 34572 1 380 . 1 . 1 33 33 LEU HG H 1 1.241 0.020 . 1 . . . . A 33 LEU HG . 34572 1 381 . 1 . 1 33 33 LEU HD11 H 1 0.146 0.020 . 2 . . . . A 33 LEU HD11 . 34572 1 382 . 1 . 1 33 33 LEU HD12 H 1 0.146 0.020 . 2 . . . . A 33 LEU HD12 . 34572 1 383 . 1 . 1 33 33 LEU HD13 H 1 0.146 0.020 . 2 . . . . A 33 LEU HD13 . 34572 1 384 . 1 . 1 33 33 LEU HD21 H 1 0.423 0.020 . 2 . . . . A 33 LEU HD21 . 34572 1 385 . 1 . 1 33 33 LEU HD22 H 1 0.423 0.020 . 2 . . . . A 33 LEU HD22 . 34572 1 386 . 1 . 1 33 33 LEU HD23 H 1 0.423 0.020 . 2 . . . . A 33 LEU HD23 . 34572 1 387 . 1 . 1 33 33 LEU C C 13 177.159 0.400 . 1 . . . . A 33 LEU C . 34572 1 388 . 1 . 1 33 33 LEU CA C 13 52.469 0.400 . 1 . . . . A 33 LEU CA . 34572 1 389 . 1 . 1 33 33 LEU CB C 13 46.010 0.400 . 1 . . . . A 33 LEU CB . 34572 1 390 . 1 . 1 33 33 LEU CG C 13 26.103 0.400 . 1 . . . . A 33 LEU CG . 34572 1 391 . 1 . 1 33 33 LEU CD1 C 13 25.917 0.400 . 2 . . . . A 33 LEU CD1 . 34572 1 392 . 1 . 1 33 33 LEU CD2 C 13 25.304 0.400 . 2 . . . . A 33 LEU CD2 . 34572 1 393 . 1 . 1 33 33 LEU N N 15 128.036 0.400 . 1 . . . . A 33 LEU N . 34572 1 394 . 1 . 1 34 34 ASP H H 1 8.338 0.020 . 1 . . . . A 34 ASP H . 34572 1 395 . 1 . 1 34 34 ASP HA H 1 5.076 0.020 . 1 . . . . A 34 ASP HA . 34572 1 396 . 1 . 1 34 34 ASP HB2 H 1 3.539 0.020 . 2 . . . . A 34 ASP HB2 . 34572 1 397 . 1 . 1 34 34 ASP HB3 H 1 2.756 0.020 . 2 . . . . A 34 ASP HB3 . 34572 1 398 . 1 . 1 34 34 ASP C C 13 177.975 0.400 . 1 . . . . A 34 ASP C . 34572 1 399 . 1 . 1 34 34 ASP CA C 13 51.934 0.400 . 1 . . . . A 34 ASP CA . 34572 1 400 . 1 . 1 34 34 ASP CB C 13 40.725 0.400 . 1 . . . . A 34 ASP CB . 34572 1 401 . 1 . 1 34 34 ASP N N 15 118.735 0.400 . 1 . . . . A 34 ASP N . 34572 1 402 . 1 . 1 35 35 GLY H H 1 8.863 0.020 . 1 . . . . A 35 GLY H . 34572 1 403 . 1 . 1 35 35 GLY HA2 H 1 3.892 0.020 . 2 . . . . A 35 GLY HA2 . 34572 1 404 . 1 . 1 35 35 GLY HA3 H 1 3.892 0.020 . 2 . . . . A 35 GLY HA3 . 34572 1 405 . 1 . 1 35 35 GLY C C 13 173.420 0.400 . 1 . . . . A 35 GLY C . 34572 1 406 . 1 . 1 35 35 GLY CA C 13 46.900 0.400 . 1 . . . . A 35 GLY CA . 34572 1 407 . 1 . 1 35 35 GLY N N 15 103.414 0.400 . 1 . . . . A 35 GLY N . 34572 1 408 . 1 . 1 36 36 ASP H H 1 7.976 0.020 . 1 . . . . A 36 ASP H . 34572 1 409 . 1 . 1 36 36 ASP HA H 1 5.068 0.020 . 1 . . . . A 36 ASP HA . 34572 1 410 . 1 . 1 36 36 ASP HB2 H 1 2.607 0.020 . 2 . . . . A 36 ASP HB2 . 34572 1 411 . 1 . 1 36 36 ASP HB3 H 1 2.855 0.020 . 2 . . . . A 36 ASP HB3 . 34572 1 412 . 1 . 1 36 36 ASP C C 13 176.896 0.400 . 1 . . . . A 36 ASP C . 34572 1 413 . 1 . 1 36 36 ASP CA C 13 53.432 0.400 . 1 . . . . A 36 ASP CA . 34572 1 414 . 1 . 1 36 36 ASP CB C 13 42.119 0.400 . 1 . . . . A 36 ASP CB . 34572 1 415 . 1 . 1 36 36 ASP N N 15 116.621 0.400 . 1 . . . . A 36 ASP N . 34572 1 416 . 1 . 1 37 37 GLY H H 1 8.678 0.020 . 1 . . . . A 37 GLY H . 34572 1 417 . 1 . 1 37 37 GLY HA2 H 1 3.587 0.020 . 2 . . . . A 37 GLY HA2 . 34572 1 418 . 1 . 1 37 37 GLY HA3 H 1 4.474 0.020 . 2 . . . . A 37 GLY HA3 . 34572 1 419 . 1 . 1 37 37 GLY C C 13 172.761 0.400 . 1 . . . . A 37 GLY C . 34572 1 420 . 1 . 1 37 37 GLY CA C 13 45.223 0.400 . 1 . . . . A 37 GLY CA . 34572 1 421 . 1 . 1 37 37 GLY N N 15 108.326 0.400 . 1 . . . . A 37 GLY N . 34572 1 422 . 1 . 1 38 38 ASN H H 1 9.180 0.020 . 1 . . . . A 38 ASN H . 34572 1 423 . 1 . 1 38 38 ASN HA H 1 4.939 0.020 . 1 . . . . A 38 ASN HA . 34572 1 424 . 1 . 1 38 38 ASN HB2 H 1 2.202 0.020 . 2 . . . . A 38 ASN HB2 . 34572 1 425 . 1 . 1 38 38 ASN HB3 H 1 2.915 0.020 . 2 . . . . A 38 ASN HB3 . 34572 1 426 . 1 . 1 38 38 ASN HD21 H 1 8.758 0.020 . 2 . . . . A 38 ASN HD21 . 34572 1 427 . 1 . 1 38 38 ASN HD22 H 1 7.413 0.020 . 2 . . . . A 38 ASN HD22 . 34572 1 428 . 1 . 1 38 38 ASN C C 13 175.158 0.400 . 1 . . . . A 38 ASN C . 34572 1 429 . 1 . 1 38 38 ASN CA C 13 53.218 0.400 . 1 . . . . A 38 ASN CA . 34572 1 430 . 1 . 1 38 38 ASN CB C 13 37.811 0.400 . 1 . . . . A 38 ASN CB . 34572 1 431 . 1 . 1 38 38 ASN N N 15 122.322 0.400 . 1 . . . . A 38 ASN N . 34572 1 432 . 1 . 1 38 38 ASN ND2 N 15 120.375 0.400 . 1 . . . . A 38 ASN ND2 . 34572 1 433 . 1 . 1 39 39 ILE H H 1 8.741 0.020 . 1 . . . . A 39 ILE H . 34572 1 434 . 1 . 1 39 39 ILE HA H 1 4.041 0.020 . 1 . . . . A 39 ILE HA . 34572 1 435 . 1 . 1 39 39 ILE HB H 1 2.121 0.020 . 1 . . . . A 39 ILE HB . 34572 1 436 . 1 . 1 39 39 ILE HG12 H 1 0.813 0.020 . 2 . . . . A 39 ILE HG12 . 34572 1 437 . 1 . 1 39 39 ILE HG13 H 1 1.971 0.020 . 2 . . . . A 39 ILE HG13 . 34572 1 438 . 1 . 1 39 39 ILE HG21 H 1 0.968 0.020 . 1 . . . . A 39 ILE HG21 . 34572 1 439 . 1 . 1 39 39 ILE HG22 H 1 0.968 0.020 . 1 . . . . A 39 ILE HG22 . 34572 1 440 . 1 . 1 39 39 ILE HG23 H 1 0.968 0.020 . 1 . . . . A 39 ILE HG23 . 34572 1 441 . 1 . 1 39 39 ILE HD11 H 1 0.917 0.020 . 1 . . . . A 39 ILE HD11 . 34572 1 442 . 1 . 1 39 39 ILE HD12 H 1 0.917 0.020 . 1 . . . . A 39 ILE HD12 . 34572 1 443 . 1 . 1 39 39 ILE HD13 H 1 0.917 0.020 . 1 . . . . A 39 ILE HD13 . 34572 1 444 . 1 . 1 39 39 ILE C C 13 175.882 0.400 . 1 . . . . A 39 ILE C . 34572 1 445 . 1 . 1 39 39 ILE CA C 13 62.600 0.400 . 1 . . . . A 39 ILE CA . 34572 1 446 . 1 . 1 39 39 ILE CB C 13 37.639 0.400 . 1 . . . . A 39 ILE CB . 34572 1 447 . 1 . 1 39 39 ILE CG1 C 13 28.723 0.400 . 1 . . . . A 39 ILE CG1 . 34572 1 448 . 1 . 1 39 39 ILE CG2 C 13 19.025 0.400 . 1 . . . . A 39 ILE CG2 . 34572 1 449 . 1 . 1 39 39 ILE CD1 C 13 14.257 0.400 . 1 . . . . A 39 ILE CD1 . 34572 1 450 . 1 . 1 39 39 ILE N N 15 120.119 0.400 . 1 . . . . A 39 ILE N . 34572 1 451 . 1 . 1 40 40 LEU H H 1 9.701 0.020 . 1 . . . . A 40 LEU H . 34572 1 452 . 1 . 1 40 40 LEU HA H 1 4.423 0.020 . 1 . . . . A 40 LEU HA . 34572 1 453 . 1 . 1 40 40 LEU HB2 H 1 1.489 0.020 . 2 . . . . A 40 LEU HB2 . 34572 1 454 . 1 . 1 40 40 LEU HB3 H 1 1.425 0.020 . 2 . . . . A 40 LEU HB3 . 34572 1 455 . 1 . 1 40 40 LEU HG H 1 1.651 0.020 . 1 . . . . A 40 LEU HG . 34572 1 456 . 1 . 1 40 40 LEU HD11 H 1 0.769 0.020 . 2 . . . . A 40 LEU HD11 . 34572 1 457 . 1 . 1 40 40 LEU HD12 H 1 0.769 0.020 . 2 . . . . A 40 LEU HD12 . 34572 1 458 . 1 . 1 40 40 LEU HD13 H 1 0.769 0.020 . 2 . . . . A 40 LEU HD13 . 34572 1 459 . 1 . 1 40 40 LEU HD21 H 1 0.679 0.020 . 2 . . . . A 40 LEU HD21 . 34572 1 460 . 1 . 1 40 40 LEU HD22 H 1 0.679 0.020 . 2 . . . . A 40 LEU HD22 . 34572 1 461 . 1 . 1 40 40 LEU HD23 H 1 0.679 0.020 . 2 . . . . A 40 LEU HD23 . 34572 1 462 . 1 . 1 40 40 LEU C C 13 176.869 0.400 . 1 . . . . A 40 LEU C . 34572 1 463 . 1 . 1 40 40 LEU CA C 13 55.208 0.400 . 1 . . . . A 40 LEU CA . 34572 1 464 . 1 . 1 40 40 LEU CB C 13 42.226 0.400 . 1 . . . . A 40 LEU CB . 34572 1 465 . 1 . 1 40 40 LEU CG C 13 26.359 0.400 . 1 . . . . A 40 LEU CG . 34572 1 466 . 1 . 1 40 40 LEU CD1 C 13 21.439 0.400 . 2 . . . . A 40 LEU CD1 . 34572 1 467 . 1 . 1 40 40 LEU CD2 C 13 24.646 0.400 . 2 . . . . A 40 LEU CD2 . 34572 1 468 . 1 . 1 40 40 LEU N N 15 130.761 0.400 . 1 . . . . A 40 LEU N . 34572 1 469 . 1 . 1 41 41 GLN H H 1 7.630 0.020 . 1 . . . . A 41 GLN H . 34572 1 470 . 1 . 1 41 41 GLN HA H 1 4.574 0.020 . 1 . . . . A 41 GLN HA . 34572 1 471 . 1 . 1 41 41 GLN HB2 H 1 1.659 0.020 . 2 . . . . A 41 GLN HB2 . 34572 1 472 . 1 . 1 41 41 GLN HB3 H 1 2.153 0.020 . 2 . . . . A 41 GLN HB3 . 34572 1 473 . 1 . 1 41 41 GLN HG2 H 1 2.331 0.020 . 2 . . . . A 41 GLN HG2 . 34572 1 474 . 1 . 1 41 41 GLN HG3 H 1 2.331 0.020 . 2 . . . . A 41 GLN HG3 . 34572 1 475 . 1 . 1 41 41 GLN HE21 H 1 7.497 0.020 . 2 . . . . A 41 GLN HE21 . 34572 1 476 . 1 . 1 41 41 GLN HE22 H 1 6.731 0.020 . 2 . . . . A 41 GLN HE22 . 34572 1 477 . 1 . 1 41 41 GLN C C 13 173.314 0.400 . 1 . . . . A 41 GLN C . 34572 1 478 . 1 . 1 41 41 GLN CA C 13 54.600 0.400 . 1 . . . . A 41 GLN CA . 34572 1 479 . 1 . 1 41 41 GLN CB C 13 33.762 0.400 . 1 . . . . A 41 GLN CB . 34572 1 480 . 1 . 1 41 41 GLN CG C 13 33.615 0.400 . 1 . . . . A 41 GLN CG . 34572 1 481 . 1 . 1 41 41 GLN N N 15 112.833 0.400 . 1 . . . . A 41 GLN N . 34572 1 482 . 1 . 1 41 41 GLN NE2 N 15 109.571 0.400 . 1 . . . . A 41 GLN NE2 . 34572 1 483 . 1 . 1 42 42 TYR H H 1 9.003 0.020 . 1 . . . . A 42 TYR H . 34572 1 484 . 1 . 1 42 42 TYR HA H 1 4.847 0.020 . 1 . . . . A 42 TYR HA . 34572 1 485 . 1 . 1 42 42 TYR HB2 H 1 2.493 0.020 . 2 . . . . A 42 TYR HB2 . 34572 1 486 . 1 . 1 42 42 TYR HB3 H 1 3.208 0.020 . 2 . . . . A 42 TYR HB3 . 34572 1 487 . 1 . 1 42 42 TYR HD1 H 1 6.938 0.020 . 1 . . . . A 42 TYR HD1 . 34572 1 488 . 1 . 1 42 42 TYR HD2 H 1 6.938 0.020 . 1 . . . . A 42 TYR HD2 . 34572 1 489 . 1 . 1 42 42 TYR HE1 H 1 6.632 0.020 . 1 . . . . A 42 TYR HE1 . 34572 1 490 . 1 . 1 42 42 TYR HE2 H 1 6.632 0.020 . 1 . . . . A 42 TYR HE2 . 34572 1 491 . 1 . 1 42 42 TYR C C 13 173.380 0.400 . 1 . . . . A 42 TYR C . 34572 1 492 . 1 . 1 42 42 TYR CA C 13 58.316 0.400 . 1 . . . . A 42 TYR CA . 34572 1 493 . 1 . 1 42 42 TYR CB C 13 40.887 0.400 . 1 . . . . A 42 TYR CB . 34572 1 494 . 1 . 1 42 42 TYR CD1 C 13 133.244 0.400 . 3 . . . . A 42 TYR CD1 . 34572 1 495 . 1 . 1 42 42 TYR CE1 C 13 118.520 0.400 . 3 . . . . A 42 TYR CE1 . 34572 1 496 . 1 . 1 42 42 TYR N N 15 127.197 0.400 . 1 . . . . A 42 TYR N . 34572 1 497 . 1 . 1 43 43 ASN H H 1 8.427 0.020 . 1 . . . . A 43 ASN H . 34572 1 498 . 1 . 1 43 43 ASN HA H 1 4.923 0.020 . 1 . . . . A 43 ASN HA . 34572 1 499 . 1 . 1 43 43 ASN HB2 H 1 3.606 0.020 . 2 . . . . A 43 ASN HB2 . 34572 1 500 . 1 . 1 43 43 ASN HB3 H 1 2.860 0.020 . 2 . . . . A 43 ASN HB3 . 34572 1 501 . 1 . 1 43 43 ASN HD21 H 1 7.578 0.020 . 2 . . . . A 43 ASN HD21 . 34572 1 502 . 1 . 1 43 43 ASN HD22 H 1 7.455 0.020 . 2 . . . . A 43 ASN HD22 . 34572 1 503 . 1 . 1 43 43 ASN C C 13 174.170 0.400 . 1 . . . . A 43 ASN C . 34572 1 504 . 1 . 1 43 43 ASN CA C 13 52.378 0.400 . 1 . . . . A 43 ASN CA . 34572 1 505 . 1 . 1 43 43 ASN CB C 13 39.790 0.400 . 1 . . . . A 43 ASN CB . 34572 1 506 . 1 . 1 43 43 ASN N N 15 124.835 0.400 . 1 . . . . A 43 ASN N . 34572 1 507 . 1 . 1 43 43 ASN ND2 N 15 111.095 0.400 . 1 . . . . A 43 ASN ND2 . 34572 1 508 . 1 . 1 44 44 ALA H H 1 8.572 0.020 . 1 . . . . A 44 ALA H . 34572 1 509 . 1 . 1 44 44 ALA HA H 1 4.078 0.020 . 1 . . . . A 44 ALA HA . 34572 1 510 . 1 . 1 44 44 ALA HB1 H 1 1.497 0.020 . 1 . . . . A 44 ALA HB1 . 34572 1 511 . 1 . 1 44 44 ALA HB2 H 1 1.497 0.020 . 1 . . . . A 44 ALA HB2 . 34572 1 512 . 1 . 1 44 44 ALA HB3 H 1 1.497 0.020 . 1 . . . . A 44 ALA HB3 . 34572 1 513 . 1 . 1 44 44 ALA C C 13 180.345 0.400 . 1 . . . . A 44 ALA C . 34572 1 514 . 1 . 1 44 44 ALA CA C 13 54.547 0.400 . 1 . . . . A 44 ALA CA . 34572 1 515 . 1 . 1 44 44 ALA CB C 13 17.425 0.400 . 1 . . . . A 44 ALA CB . 34572 1 516 . 1 . 1 44 44 ALA N N 15 120.826 0.400 . 1 . . . . A 44 ALA N . 34572 1 517 . 1 . 1 45 45 ALA H H 1 8.226 0.020 . 1 . . . . A 45 ALA H . 34572 1 518 . 1 . 1 45 45 ALA HA H 1 4.112 0.020 . 1 . . . . A 45 ALA HA . 34572 1 519 . 1 . 1 45 45 ALA HB1 H 1 1.206 0.020 . 1 . . . . A 45 ALA HB1 . 34572 1 520 . 1 . 1 45 45 ALA HB2 H 1 1.206 0.020 . 1 . . . . A 45 ALA HB2 . 34572 1 521 . 1 . 1 45 45 ALA HB3 H 1 1.206 0.020 . 1 . . . . A 45 ALA HB3 . 34572 1 522 . 1 . 1 45 45 ALA C C 13 179.529 0.400 . 1 . . . . A 45 ALA C . 34572 1 523 . 1 . 1 45 45 ALA CA C 13 54.326 0.400 . 1 . . . . A 45 ALA CA . 34572 1 524 . 1 . 1 45 45 ALA CB C 13 16.568 0.400 . 1 . . . . A 45 ALA CB . 34572 1 525 . 1 . 1 45 45 ALA N N 15 119.280 0.400 . 1 . . . . A 45 ALA N . 34572 1 526 . 1 . 1 46 46 GLU H H 1 7.870 0.020 . 1 . . . . A 46 GLU H . 34572 1 527 . 1 . 1 46 46 GLU HA H 1 4.350 0.020 . 1 . . . . A 46 GLU HA . 34572 1 528 . 1 . 1 46 46 GLU HB2 H 1 1.917 0.020 . 2 . . . . A 46 GLU HB2 . 34572 1 529 . 1 . 1 46 46 GLU HB3 H 1 1.635 0.020 . 2 . . . . A 46 GLU HB3 . 34572 1 530 . 1 . 1 46 46 GLU HG2 H 1 2.349 0.020 . 2 . . . . A 46 GLU HG2 . 34572 1 531 . 1 . 1 46 46 GLU HG3 H 1 1.512 0.020 . 2 . . . . A 46 GLU HG3 . 34572 1 532 . 1 . 1 46 46 GLU C C 13 178.805 0.400 . 1 . . . . A 46 GLU C . 34572 1 533 . 1 . 1 46 46 GLU CA C 13 57.621 0.400 . 1 . . . . A 46 GLU CA . 34572 1 534 . 1 . 1 46 46 GLU CB C 13 26.227 0.400 . 1 . . . . A 46 GLU CB . 34572 1 535 . 1 . 1 46 46 GLU CG C 13 31.374 0.400 . 1 . . . . A 46 GLU CG . 34572 1 536 . 1 . 1 46 46 GLU N N 15 119.854 0.400 . 1 . . . . A 46 GLU N . 34572 1 537 . 1 . 1 47 47 GLY H H 1 7.990 0.020 . 1 . . . . A 47 GLY H . 34572 1 538 . 1 . 1 47 47 GLY HA2 H 1 4.367 0.020 . 2 . . . . A 47 GLY HA2 . 34572 1 539 . 1 . 1 47 47 GLY HA3 H 1 4.038 0.020 . 2 . . . . A 47 GLY HA3 . 34572 1 540 . 1 . 1 47 47 GLY C C 13 175.698 0.400 . 1 . . . . A 47 GLY C . 34572 1 541 . 1 . 1 47 47 GLY CA C 13 47.242 0.400 . 1 . . . . A 47 GLY CA . 34572 1 542 . 1 . 1 47 47 GLY N N 15 105.936 0.400 . 1 . . . . A 47 GLY N . 34572 1 543 . 1 . 1 48 48 ASP H H 1 8.165 0.020 . 1 . . . . A 48 ASP H . 34572 1 544 . 1 . 1 48 48 ASP HA H 1 4.514 0.020 . 1 . . . . A 48 ASP HA . 34572 1 545 . 1 . 1 48 48 ASP HB2 H 1 2.791 0.020 . 2 . . . . A 48 ASP HB2 . 34572 1 546 . 1 . 1 48 48 ASP HB3 H 1 2.791 0.020 . 2 . . . . A 48 ASP HB3 . 34572 1 547 . 1 . 1 48 48 ASP C C 13 177.857 0.400 . 1 . . . . A 48 ASP C . 34572 1 548 . 1 . 1 48 48 ASP CA C 13 56.495 0.400 . 1 . . . . A 48 ASP CA . 34572 1 549 . 1 . 1 48 48 ASP CB C 13 40.933 0.400 . 1 . . . . A 48 ASP CB . 34572 1 550 . 1 . 1 48 48 ASP N N 15 121.591 0.400 . 1 . . . . A 48 ASP N . 34572 1 551 . 1 . 1 49 49 ILE H H 1 7.900 0.020 . 1 . . . . A 49 ILE H . 34572 1 552 . 1 . 1 49 49 ILE HA H 1 3.673 0.020 . 1 . . . . A 49 ILE HA . 34572 1 553 . 1 . 1 49 49 ILE HB H 1 1.964 0.020 . 1 . . . . A 49 ILE HB . 34572 1 554 . 1 . 1 49 49 ILE HG12 H 1 0.675 0.020 . 2 . . . . A 49 ILE HG12 . 34572 1 555 . 1 . 1 49 49 ILE HG13 H 1 2.061 0.020 . 2 . . . . A 49 ILE HG13 . 34572 1 556 . 1 . 1 49 49 ILE HG21 H 1 0.658 0.020 . 1 . . . . A 49 ILE HG21 . 34572 1 557 . 1 . 1 49 49 ILE HG22 H 1 0.658 0.020 . 1 . . . . A 49 ILE HG22 . 34572 1 558 . 1 . 1 49 49 ILE HG23 H 1 0.658 0.020 . 1 . . . . A 49 ILE HG23 . 34572 1 559 . 1 . 1 49 49 ILE HD11 H 1 0.878 0.020 . 1 . . . . A 49 ILE HD11 . 34572 1 560 . 1 . 1 49 49 ILE HD12 H 1 0.878 0.020 . 1 . . . . A 49 ILE HD12 . 34572 1 561 . 1 . 1 49 49 ILE HD13 H 1 0.878 0.020 . 1 . . . . A 49 ILE HD13 . 34572 1 562 . 1 . 1 49 49 ILE C C 13 177.817 0.400 . 1 . . . . A 49 ILE C . 34572 1 563 . 1 . 1 49 49 ILE CA C 13 65.068 0.400 . 1 . . . . A 49 ILE CA . 34572 1 564 . 1 . 1 49 49 ILE CB C 13 37.938 0.400 . 1 . . . . A 49 ILE CB . 34572 1 565 . 1 . 1 49 49 ILE CG1 C 13 29.118 0.400 . 1 . . . . A 49 ILE CG1 . 34572 1 566 . 1 . 1 49 49 ILE CG2 C 13 16.713 0.400 . 1 . . . . A 49 ILE CG2 . 34572 1 567 . 1 . 1 49 49 ILE CD1 C 13 12.651 0.400 . 1 . . . . A 49 ILE CD1 . 34572 1 568 . 1 . 1 49 49 ILE N N 15 119.066 0.400 . 1 . . . . A 49 ILE N . 34572 1 569 . 1 . 1 50 50 THR H H 1 8.468 0.020 . 1 . . . . A 50 THR H . 34572 1 570 . 1 . 1 50 50 THR HA H 1 4.008 0.020 . 1 . . . . A 50 THR HA . 34572 1 571 . 1 . 1 50 50 THR HB H 1 4.346 0.020 . 1 . . . . A 50 THR HB . 34572 1 572 . 1 . 1 50 50 THR HG1 H 1 4.136 0.020 . 1 . . . . A 50 THR HG1 . 34572 1 573 . 1 . 1 50 50 THR HG21 H 1 1.267 0.020 . 1 . . . . A 50 THR HG21 . 34572 1 574 . 1 . 1 50 50 THR HG22 H 1 1.267 0.020 . 1 . . . . A 50 THR HG22 . 34572 1 575 . 1 . 1 50 50 THR HG23 H 1 1.267 0.020 . 1 . . . . A 50 THR HG23 . 34572 1 576 . 1 . 1 50 50 THR C C 13 176.514 0.400 . 1 . . . . A 50 THR C . 34572 1 577 . 1 . 1 50 50 THR CA C 13 62.655 0.400 . 1 . . . . A 50 THR CA . 34572 1 578 . 1 . 1 50 50 THR CB C 13 70.585 0.400 . 1 . . . . A 50 THR CB . 34572 1 579 . 1 . 1 50 50 THR CG2 C 13 21.276 0.400 . 1 . . . . A 50 THR CG2 . 34572 1 580 . 1 . 1 50 50 THR N N 15 106.425 0.400 . 1 . . . . A 50 THR N . 34572 1 581 . 1 . 1 51 51 GLY H H 1 8.817 0.020 . 1 . . . . A 51 GLY H . 34572 1 582 . 1 . 1 51 51 GLY HA2 H 1 4.259 0.020 . 2 . . . . A 51 GLY HA2 . 34572 1 583 . 1 . 1 51 51 GLY HA3 H 1 3.937 0.020 . 2 . . . . A 51 GLY HA3 . 34572 1 584 . 1 . 1 51 51 GLY C C 13 174.025 0.400 . 1 . . . . A 51 GLY C . 34572 1 585 . 1 . 1 51 51 GLY CA C 13 45.195 0.400 . 1 . . . . A 51 GLY CA . 34572 1 586 . 1 . 1 51 51 GLY N N 15 113.226 0.400 . 1 . . . . A 51 GLY N . 34572 1 587 . 1 . 1 52 52 ARG H H 1 8.092 0.020 . 1 . . . . A 52 ARG H . 34572 1 588 . 1 . 1 52 52 ARG HA H 1 4.401 0.020 . 1 . . . . A 52 ARG HA . 34572 1 589 . 1 . 1 52 52 ARG HB2 H 1 1.914 0.020 . 2 . . . . A 52 ARG HB2 . 34572 1 590 . 1 . 1 52 52 ARG HB3 H 1 1.528 0.020 . 2 . . . . A 52 ARG HB3 . 34572 1 591 . 1 . 1 52 52 ARG HG2 H 1 1.783 0.020 . 2 . . . . A 52 ARG HG2 . 34572 1 592 . 1 . 1 52 52 ARG HG3 H 1 1.678 0.020 . 2 . . . . A 52 ARG HG3 . 34572 1 593 . 1 . 1 52 52 ARG HD2 H 1 3.106 0.020 . 2 . . . . A 52 ARG HD2 . 34572 1 594 . 1 . 1 52 52 ARG HD3 H 1 3.242 0.020 . 2 . . . . A 52 ARG HD3 . 34572 1 595 . 1 . 1 52 52 ARG HE H 1 7.682 0.020 . 1 . . . . A 52 ARG HE . 34572 1 596 . 1 . 1 52 52 ARG C C 13 174.473 0.400 . 1 . . . . A 52 ARG C . 34572 1 597 . 1 . 1 52 52 ARG CA C 13 53.162 0.400 . 1 . . . . A 52 ARG CA . 34572 1 598 . 1 . 1 52 52 ARG CB C 13 29.606 0.400 . 1 . . . . A 52 ARG CB . 34572 1 599 . 1 . 1 52 52 ARG CG C 13 25.995 0.400 . 1 . . . . A 52 ARG CG . 34572 1 600 . 1 . 1 52 52 ARG CD C 13 41.277 0.400 . 1 . . . . A 52 ARG CD . 34572 1 601 . 1 . 1 52 52 ARG N N 15 119.193 0.400 . 1 . . . . A 52 ARG N . 34572 1 602 . 1 . 1 52 52 ARG NE N 15 83.814 0.400 . 1 . . . . A 52 ARG NE . 34572 1 603 . 1 . 1 53 53 ASP H H 1 8.315 0.020 . 1 . . . . A 53 ASP H . 34572 1 604 . 1 . 1 53 53 ASP HA H 1 4.875 0.020 . 1 . . . . A 53 ASP HA . 34572 1 605 . 1 . 1 53 53 ASP HB2 H 1 2.663 0.020 . 2 . . . . A 53 ASP HB2 . 34572 1 606 . 1 . 1 53 53 ASP HB3 H 1 2.759 0.020 . 2 . . . . A 53 ASP HB3 . 34572 1 607 . 1 . 1 53 53 ASP C C 13 175.461 0.400 . 1 . . . . A 53 ASP C . 34572 1 608 . 1 . 1 53 53 ASP CA C 13 50.137 0.400 . 1 . . . . A 53 ASP CA . 34572 1 609 . 1 . 1 53 53 ASP CB C 13 41.316 0.400 . 1 . . . . A 53 ASP CB . 34572 1 610 . 1 . 1 53 53 ASP N N 15 121.647 0.400 . 1 . . . . A 53 ASP N . 34572 1 611 . 1 . 1 54 54 PRO HA H 1 3.973 0.020 . 1 . . . . A 54 PRO HA . 34572 1 612 . 1 . 1 54 54 PRO HB2 H 1 2.102 0.020 . 2 . . . . A 54 PRO HB2 . 34572 1 613 . 1 . 1 54 54 PRO HB3 H 1 3.038 0.020 . 2 . . . . A 54 PRO HB3 . 34572 1 614 . 1 . 1 54 54 PRO HG2 H 1 1.947 0.020 . 2 . . . . A 54 PRO HG2 . 34572 1 615 . 1 . 1 54 54 PRO HG3 H 1 2.303 0.020 . 2 . . . . A 54 PRO HG3 . 34572 1 616 . 1 . 1 54 54 PRO HD2 H 1 4.617 0.020 . 2 . . . . A 54 PRO HD2 . 34572 1 617 . 1 . 1 54 54 PRO HD3 H 1 3.980 0.020 . 2 . . . . A 54 PRO HD3 . 34572 1 618 . 1 . 1 54 54 PRO C C 13 177.462 0.400 . 1 . . . . A 54 PRO C . 34572 1 619 . 1 . 1 54 54 PRO CA C 13 64.682 0.400 . 1 . . . . A 54 PRO CA . 34572 1 620 . 1 . 1 54 54 PRO CB C 13 32.849 0.400 . 1 . . . . A 54 PRO CB . 34572 1 621 . 1 . 1 54 54 PRO CG C 13 27.621 0.400 . 1 . . . . A 54 PRO CG . 34572 1 622 . 1 . 1 54 54 PRO CD C 13 50.777 0.400 . 1 . . . . A 54 PRO CD . 34572 1 623 . 1 . 1 55 55 LYS H H 1 8.022 0.020 . 1 . . . . A 55 LYS H . 34572 1 624 . 1 . 1 55 55 LYS HA H 1 4.069 0.020 . 1 . . . . A 55 LYS HA . 34572 1 625 . 1 . 1 55 55 LYS HB2 H 1 1.860 0.020 . 2 . . . . A 55 LYS HB2 . 34572 1 626 . 1 . 1 55 55 LYS HB3 H 1 1.939 0.020 . 2 . . . . A 55 LYS HB3 . 34572 1 627 . 1 . 1 55 55 LYS HG2 H 1 1.571 0.020 . 2 . . . . A 55 LYS HG2 . 34572 1 628 . 1 . 1 55 55 LYS HG3 H 1 1.571 0.020 . 2 . . . . A 55 LYS HG3 . 34572 1 629 . 1 . 1 55 55 LYS HD2 H 1 1.744 0.020 . 2 . . . . A 55 LYS HD2 . 34572 1 630 . 1 . 1 55 55 LYS HD3 H 1 1.744 0.020 . 2 . . . . A 55 LYS HD3 . 34572 1 631 . 1 . 1 55 55 LYS HE2 H 1 3.075 0.020 . 2 . . . . A 55 LYS HE2 . 34572 1 632 . 1 . 1 55 55 LYS HE3 H 1 3.075 0.020 . 2 . . . . A 55 LYS HE3 . 34572 1 633 . 1 . 1 55 55 LYS C C 13 178.660 0.400 . 1 . . . . A 55 LYS C . 34572 1 634 . 1 . 1 55 55 LYS CA C 13 57.443 0.400 . 1 . . . . A 55 LYS CA . 34572 1 635 . 1 . 1 55 55 LYS CB C 13 31.257 0.400 . 1 . . . . A 55 LYS CB . 34572 1 636 . 1 . 1 55 55 LYS CG C 13 24.601 0.400 . 1 . . . . A 55 LYS CG . 34572 1 637 . 1 . 1 55 55 LYS CD C 13 28.107 0.400 . 1 . . . . A 55 LYS CD . 34572 1 638 . 1 . 1 55 55 LYS CE C 13 41.469 0.400 . 1 . . . . A 55 LYS CE . 34572 1 639 . 1 . 1 55 55 LYS N N 15 111.032 0.400 . 1 . . . . A 55 LYS N . 34572 1 640 . 1 . 1 56 56 GLN H H 1 7.914 0.020 . 1 . . . . A 56 GLN H . 34572 1 641 . 1 . 1 56 56 GLN HA H 1 4.283 0.020 . 1 . . . . A 56 GLN HA . 34572 1 642 . 1 . 1 56 56 GLN HB2 H 1 2.324 0.020 . 2 . . . . A 56 GLN HB2 . 34572 1 643 . 1 . 1 56 56 GLN HB3 H 1 2.041 0.020 . 2 . . . . A 56 GLN HB3 . 34572 1 644 . 1 . 1 56 56 GLN HG2 H 1 2.323 0.020 . 2 . . . . A 56 GLN HG2 . 34572 1 645 . 1 . 1 56 56 GLN HG3 H 1 2.477 0.020 . 2 . . . . A 56 GLN HG3 . 34572 1 646 . 1 . 1 56 56 GLN HE21 H 1 7.782 0.020 . 2 . . . . A 56 GLN HE21 . 34572 1 647 . 1 . 1 56 56 GLN HE22 H 1 6.897 0.020 . 2 . . . . A 56 GLN HE22 . 34572 1 648 . 1 . 1 56 56 GLN C C 13 176.659 0.400 . 1 . . . . A 56 GLN C . 34572 1 649 . 1 . 1 56 56 GLN CA C 13 55.965 0.400 . 1 . . . . A 56 GLN CA . 34572 1 650 . 1 . 1 56 56 GLN CB C 13 29.038 0.400 . 1 . . . . A 56 GLN CB . 34572 1 651 . 1 . 1 56 56 GLN CG C 13 33.492 0.400 . 1 . . . . A 56 GLN CG . 34572 1 652 . 1 . 1 56 56 GLN N N 15 115.031 0.400 . 1 . . . . A 56 GLN N . 34572 1 653 . 1 . 1 56 56 GLN NE2 N 15 112.742 0.400 . 1 . . . . A 56 GLN NE2 . 34572 1 654 . 1 . 1 57 57 VAL H H 1 7.082 0.020 . 1 . . . . A 57 VAL H . 34572 1 655 . 1 . 1 57 57 VAL HA H 1 4.176 0.020 . 1 . . . . A 57 VAL HA . 34572 1 656 . 1 . 1 57 57 VAL HB H 1 1.937 0.020 . 1 . . . . A 57 VAL HB . 34572 1 657 . 1 . 1 57 57 VAL HG11 H 1 0.554 0.020 . 2 . . . . A 57 VAL HG11 . 34572 1 658 . 1 . 1 57 57 VAL HG12 H 1 0.554 0.020 . 2 . . . . A 57 VAL HG12 . 34572 1 659 . 1 . 1 57 57 VAL HG13 H 1 0.554 0.020 . 2 . . . . A 57 VAL HG13 . 34572 1 660 . 1 . 1 57 57 VAL HG21 H 1 0.041 0.020 . 2 . . . . A 57 VAL HG21 . 34572 1 661 . 1 . 1 57 57 VAL HG22 H 1 0.041 0.020 . 2 . . . . A 57 VAL HG22 . 34572 1 662 . 1 . 1 57 57 VAL HG23 H 1 0.041 0.020 . 2 . . . . A 57 VAL HG23 . 34572 1 663 . 1 . 1 57 57 VAL C C 13 174.763 0.400 . 1 . . . . A 57 VAL C . 34572 1 664 . 1 . 1 57 57 VAL CA C 13 60.837 0.400 . 1 . . . . A 57 VAL CA . 34572 1 665 . 1 . 1 57 57 VAL CB C 13 31.283 0.400 . 1 . . . . A 57 VAL CB . 34572 1 666 . 1 . 1 57 57 VAL CG1 C 13 21.060 0.400 . 2 . . . . A 57 VAL CG1 . 34572 1 667 . 1 . 1 57 57 VAL CG2 C 13 16.838 0.400 . 2 . . . . A 57 VAL CG2 . 34572 1 668 . 1 . 1 57 57 VAL N N 15 108.837 0.400 . 1 . . . . A 57 VAL N . 34572 1 669 . 1 . 1 58 58 ILE H H 1 6.960 0.020 . 1 . . . . A 58 ILE H . 34572 1 670 . 1 . 1 58 58 ILE HA H 1 3.430 0.020 . 1 . . . . A 58 ILE HA . 34572 1 671 . 1 . 1 58 58 ILE HB H 1 1.770 0.020 . 1 . . . . A 58 ILE HB . 34572 1 672 . 1 . 1 58 58 ILE HG12 H 1 1.293 0.020 . 2 . . . . A 58 ILE HG12 . 34572 1 673 . 1 . 1 58 58 ILE HG13 H 1 1.685 0.020 . 2 . . . . A 58 ILE HG13 . 34572 1 674 . 1 . 1 58 58 ILE HG21 H 1 0.894 0.020 . 1 . . . . A 58 ILE HG21 . 34572 1 675 . 1 . 1 58 58 ILE HG22 H 1 0.894 0.020 . 1 . . . . A 58 ILE HG22 . 34572 1 676 . 1 . 1 58 58 ILE HG23 H 1 0.894 0.020 . 1 . . . . A 58 ILE HG23 . 34572 1 677 . 1 . 1 58 58 ILE HD11 H 1 0.865 0.020 . 1 . . . . A 58 ILE HD11 . 34572 1 678 . 1 . 1 58 58 ILE HD12 H 1 0.865 0.020 . 1 . . . . A 58 ILE HD12 . 34572 1 679 . 1 . 1 58 58 ILE HD13 H 1 0.865 0.020 . 1 . . . . A 58 ILE HD13 . 34572 1 680 . 1 . 1 58 58 ILE C C 13 176.975 0.400 . 1 . . . . A 58 ILE C . 34572 1 681 . 1 . 1 58 58 ILE CA C 13 62.527 0.400 . 1 . . . . A 58 ILE CA . 34572 1 682 . 1 . 1 58 58 ILE CB C 13 36.131 0.400 . 1 . . . . A 58 ILE CB . 34572 1 683 . 1 . 1 58 58 ILE CG1 C 13 28.084 0.400 . 1 . . . . A 58 ILE CG1 . 34572 1 684 . 1 . 1 58 58 ILE CG2 C 13 16.906 0.400 . 1 . . . . A 58 ILE CG2 . 34572 1 685 . 1 . 1 58 58 ILE CD1 C 13 11.462 0.400 . 1 . . . . A 58 ILE CD1 . 34572 1 686 . 1 . 1 58 58 ILE N N 15 120.483 0.400 . 1 . . . . A 58 ILE N . 34572 1 687 . 1 . 1 59 59 GLY H H 1 9.094 0.020 . 1 . . . . A 59 GLY H . 34572 1 688 . 1 . 1 59 59 GLY HA2 H 1 4.327 0.020 . 2 . . . . A 59 GLY HA2 . 34572 1 689 . 1 . 1 59 59 GLY HA3 H 1 3.696 0.020 . 2 . . . . A 59 GLY HA3 . 34572 1 690 . 1 . 1 59 59 GLY C C 13 173.946 0.400 . 1 . . . . A 59 GLY C . 34572 1 691 . 1 . 1 59 59 GLY CA C 13 44.403 0.400 . 1 . . . . A 59 GLY CA . 34572 1 692 . 1 . 1 59 59 GLY N N 15 115.870 0.400 . 1 . . . . A 59 GLY N . 34572 1 693 . 1 . 1 60 60 LYS H H 1 7.774 0.020 . 1 . . . . A 60 LYS H . 34572 1 694 . 1 . 1 60 60 LYS HA H 1 4.486 0.020 . 1 . . . . A 60 LYS HA . 34572 1 695 . 1 . 1 60 60 LYS HB2 H 1 1.859 0.020 . 2 . . . . A 60 LYS HB2 . 34572 1 696 . 1 . 1 60 60 LYS HB3 H 1 1.721 0.020 . 2 . . . . A 60 LYS HB3 . 34572 1 697 . 1 . 1 60 60 LYS HG2 H 1 1.242 0.020 . 2 . . . . A 60 LYS HG2 . 34572 1 698 . 1 . 1 60 60 LYS HG3 H 1 1.327 0.020 . 2 . . . . A 60 LYS HG3 . 34572 1 699 . 1 . 1 60 60 LYS HD2 H 1 1.518 0.020 . 2 . . . . A 60 LYS HD2 . 34572 1 700 . 1 . 1 60 60 LYS HD3 H 1 1.518 0.020 . 2 . . . . A 60 LYS HD3 . 34572 1 701 . 1 . 1 60 60 LYS HE2 H 1 2.961 0.020 . 2 . . . . A 60 LYS HE2 . 34572 1 702 . 1 . 1 60 60 LYS HE3 H 1 2.961 0.020 . 2 . . . . A 60 LYS HE3 . 34572 1 703 . 1 . 1 60 60 LYS C C 13 174.302 0.400 . 1 . . . . A 60 LYS C . 34572 1 704 . 1 . 1 60 60 LYS CA C 13 53.883 0.400 . 1 . . . . A 60 LYS CA . 34572 1 705 . 1 . 1 60 60 LYS CB C 13 32.765 0.400 . 1 . . . . A 60 LYS CB . 34572 1 706 . 1 . 1 60 60 LYS CG C 13 25.034 0.400 . 1 . . . . A 60 LYS CG . 34572 1 707 . 1 . 1 60 60 LYS CD C 13 27.909 0.400 . 1 . . . . A 60 LYS CD . 34572 1 708 . 1 . 1 60 60 LYS CE C 13 41.820 0.400 . 1 . . . . A 60 LYS CE . 34572 1 709 . 1 . 1 60 60 LYS N N 15 118.807 0.400 . 1 . . . . A 60 LYS N . 34572 1 710 . 1 . 1 61 61 ASN H H 1 9.660 0.020 . 1 . . . . A 61 ASN H . 34572 1 711 . 1 . 1 61 61 ASN HA H 1 4.902 0.020 . 1 . . . . A 61 ASN HA . 34572 1 712 . 1 . 1 61 61 ASN HB2 H 1 2.733 0.020 . 2 . . . . A 61 ASN HB2 . 34572 1 713 . 1 . 1 61 61 ASN HB3 H 1 2.562 0.020 . 2 . . . . A 61 ASN HB3 . 34572 1 714 . 1 . 1 61 61 ASN HD21 H 1 7.311 0.020 . 2 . . . . A 61 ASN HD21 . 34572 1 715 . 1 . 1 61 61 ASN HD22 H 1 7.021 0.020 . 2 . . . . A 61 ASN HD22 . 34572 1 716 . 1 . 1 61 61 ASN C C 13 176.224 0.400 . 1 . . . . A 61 ASN C . 34572 1 717 . 1 . 1 61 61 ASN CA C 13 54.264 0.400 . 1 . . . . A 61 ASN CA . 34572 1 718 . 1 . 1 61 61 ASN CB C 13 40.974 0.400 . 1 . . . . A 61 ASN CB . 34572 1 719 . 1 . 1 61 61 ASN N N 15 119.595 0.400 . 1 . . . . A 61 ASN N . 34572 1 720 . 1 . 1 61 61 ASN ND2 N 15 112.648 0.400 . 1 . . . . A 61 ASN ND2 . 34572 1 721 . 1 . 1 62 62 PHE H H 1 9.519 0.020 . 1 . . . . A 62 PHE H . 34572 1 722 . 1 . 1 62 62 PHE HA H 1 3.628 0.020 . 1 . . . . A 62 PHE HA . 34572 1 723 . 1 . 1 62 62 PHE HB2 H 1 2.714 0.020 . 2 . . . . A 62 PHE HB2 . 34572 1 724 . 1 . 1 62 62 PHE HB3 H 1 1.923 0.020 . 2 . . . . A 62 PHE HB3 . 34572 1 725 . 1 . 1 62 62 PHE HD1 H 1 5.522 0.020 . 1 . . . . A 62 PHE HD1 . 34572 1 726 . 1 . 1 62 62 PHE HD2 H 1 5.522 0.020 . 1 . . . . A 62 PHE HD2 . 34572 1 727 . 1 . 1 62 62 PHE HE1 H 1 6.372 0.020 . 1 . . . . A 62 PHE HE1 . 34572 1 728 . 1 . 1 62 62 PHE HE2 H 1 6.372 0.020 . 1 . . . . A 62 PHE HE2 . 34572 1 729 . 1 . 1 62 62 PHE HZ H 1 6.205 0.020 . 1 . . . . A 62 PHE HZ . 34572 1 730 . 1 . 1 62 62 PHE C C 13 172.775 0.400 . 1 . . . . A 62 PHE C . 34572 1 731 . 1 . 1 62 62 PHE CA C 13 62.104 0.400 . 1 . . . . A 62 PHE CA . 34572 1 732 . 1 . 1 62 62 PHE CB C 13 39.925 0.400 . 1 . . . . A 62 PHE CB . 34572 1 733 . 1 . 1 62 62 PHE CD1 C 13 128.963 0.400 . 3 . . . . A 62 PHE CD1 . 34572 1 734 . 1 . 1 62 62 PHE CE1 C 13 130.977 0.400 . 3 . . . . A 62 PHE CE1 . 34572 1 735 . 1 . 1 62 62 PHE CZ C 13 128.153 0.400 . 1 . . . . A 62 PHE CZ . 34572 1 736 . 1 . 1 62 62 PHE N N 15 130.619 0.400 . 1 . . . . A 62 PHE N . 34572 1 737 . 1 . 1 63 63 PHE H H 1 6.299 0.020 . 1 . . . . A 63 PHE H . 34572 1 738 . 1 . 1 63 63 PHE HA H 1 3.599 0.020 . 1 . . . . A 63 PHE HA . 34572 1 739 . 1 . 1 63 63 PHE HB2 H 1 2.342 0.020 . 2 . . . . A 63 PHE HB2 . 34572 1 740 . 1 . 1 63 63 PHE HB3 H 1 2.465 0.020 . 2 . . . . A 63 PHE HB3 . 34572 1 741 . 1 . 1 63 63 PHE HD1 H 1 7.135 0.020 . 1 . . . . A 63 PHE HD1 . 34572 1 742 . 1 . 1 63 63 PHE HD2 H 1 7.135 0.020 . 1 . . . . A 63 PHE HD2 . 34572 1 743 . 1 . 1 63 63 PHE HE1 H 1 6.214 0.020 . 1 . . . . A 63 PHE HE1 . 34572 1 744 . 1 . 1 63 63 PHE HE2 H 1 6.214 0.020 . 1 . . . . A 63 PHE HE2 . 34572 1 745 . 1 . 1 63 63 PHE HZ H 1 6.876 0.020 . 1 . . . . A 63 PHE HZ . 34572 1 746 . 1 . 1 63 63 PHE C C 13 174.697 0.400 . 1 . . . . A 63 PHE C . 34572 1 747 . 1 . 1 63 63 PHE CA C 13 58.585 0.400 . 1 . . . . A 63 PHE CA . 34572 1 748 . 1 . 1 63 63 PHE CB C 13 38.552 0.400 . 1 . . . . A 63 PHE CB . 34572 1 749 . 1 . 1 63 63 PHE CD1 C 13 131.880 0.400 . 3 . . . . A 63 PHE CD1 . 34572 1 750 . 1 . 1 63 63 PHE CE1 C 13 128.470 0.400 . 3 . . . . A 63 PHE CE1 . 34572 1 751 . 1 . 1 63 63 PHE CZ C 13 130.524 0.400 . 1 . . . . A 63 PHE CZ . 34572 1 752 . 1 . 1 63 63 PHE N N 15 112.354 0.400 . 1 . . . . A 63 PHE N . 34572 1 753 . 1 . 1 64 64 LYS H H 1 7.758 0.020 . 1 . . . . A 64 LYS H . 34572 1 754 . 1 . 1 64 64 LYS HA H 1 4.149 0.020 . 1 . . . . A 64 LYS HA . 34572 1 755 . 1 . 1 64 64 LYS HB2 H 1 1.397 0.020 . 2 . . . . A 64 LYS HB2 . 34572 1 756 . 1 . 1 64 64 LYS HB3 H 1 1.646 0.020 . 2 . . . . A 64 LYS HB3 . 34572 1 757 . 1 . 1 64 64 LYS HG2 H 1 1.262 0.020 . 2 . . . . A 64 LYS HG2 . 34572 1 758 . 1 . 1 64 64 LYS HG3 H 1 1.203 0.020 . 2 . . . . A 64 LYS HG3 . 34572 1 759 . 1 . 1 64 64 LYS HD2 H 1 1.522 0.020 . 2 . . . . A 64 LYS HD2 . 34572 1 760 . 1 . 1 64 64 LYS HD3 H 1 1.522 0.020 . 2 . . . . A 64 LYS HD3 . 34572 1 761 . 1 . 1 64 64 LYS HE2 H 1 2.882 0.020 . 2 . . . . A 64 LYS HE2 . 34572 1 762 . 1 . 1 64 64 LYS HE3 H 1 2.823 0.020 . 2 . . . . A 64 LYS HE3 . 34572 1 763 . 1 . 1 64 64 LYS C C 13 176.277 0.400 . 1 . . . . A 64 LYS C . 34572 1 764 . 1 . 1 64 64 LYS CA C 13 55.814 0.400 . 1 . . . . A 64 LYS CA . 34572 1 765 . 1 . 1 64 64 LYS CB C 13 33.650 0.400 . 1 . . . . A 64 LYS CB . 34572 1 766 . 1 . 1 64 64 LYS CG C 13 24.128 0.400 . 1 . . . . A 64 LYS CG . 34572 1 767 . 1 . 1 64 64 LYS CD C 13 28.075 0.400 . 1 . . . . A 64 LYS CD . 34572 1 768 . 1 . 1 64 64 LYS CE C 13 41.308 0.400 . 1 . . . . A 64 LYS CE . 34572 1 769 . 1 . 1 64 64 LYS N N 15 111.448 0.400 . 1 . . . . A 64 LYS N . 34572 1 770 . 1 . 1 65 65 ASP H H 1 7.536 0.020 . 1 . . . . A 65 ASP H . 34572 1 771 . 1 . 1 65 65 ASP HA H 1 4.685 0.020 . 1 . . . . A 65 ASP HA . 34572 1 772 . 1 . 1 65 65 ASP HB2 H 1 2.728 0.020 . 2 . . . . A 65 ASP HB2 . 34572 1 773 . 1 . 1 65 65 ASP HB3 H 1 2.879 0.020 . 2 . . . . A 65 ASP HB3 . 34572 1 774 . 1 . 1 65 65 ASP C C 13 175.882 0.400 . 1 . . . . A 65 ASP C . 34572 1 775 . 1 . 1 65 65 ASP CA C 13 55.023 0.400 . 1 . . . . A 65 ASP CA . 34572 1 776 . 1 . 1 65 65 ASP CB C 13 42.901 0.400 . 1 . . . . A 65 ASP CB . 34572 1 777 . 1 . 1 65 65 ASP N N 15 113.778 0.400 . 1 . . . . A 65 ASP N . 34572 1 778 . 1 . 1 66 66 VAL H H 1 7.035 0.020 . 1 . . . . A 66 VAL H . 34572 1 779 . 1 . 1 66 66 VAL HA H 1 3.720 0.020 . 1 . . . . A 66 VAL HA . 34572 1 780 . 1 . 1 66 66 VAL HB H 1 1.779 0.020 . 1 . . . . A 66 VAL HB . 34572 1 781 . 1 . 1 66 66 VAL HG11 H 1 0.860 0.020 . 2 . . . . A 66 VAL HG11 . 34572 1 782 . 1 . 1 66 66 VAL HG12 H 1 0.860 0.020 . 2 . . . . A 66 VAL HG12 . 34572 1 783 . 1 . 1 66 66 VAL HG13 H 1 0.860 0.020 . 2 . . . . A 66 VAL HG13 . 34572 1 784 . 1 . 1 66 66 VAL HG21 H 1 0.789 0.020 . 2 . . . . A 66 VAL HG21 . 34572 1 785 . 1 . 1 66 66 VAL HG22 H 1 0.789 0.020 . 2 . . . . A 66 VAL HG22 . 34572 1 786 . 1 . 1 66 66 VAL HG23 H 1 0.789 0.020 . 2 . . . . A 66 VAL HG23 . 34572 1 787 . 1 . 1 66 66 VAL C C 13 173.393 0.400 . 1 . . . . A 66 VAL C . 34572 1 788 . 1 . 1 66 66 VAL CA C 13 64.573 0.400 . 1 . . . . A 66 VAL CA . 34572 1 789 . 1 . 1 66 66 VAL CB C 13 32.279 0.400 . 1 . . . . A 66 VAL CB . 34572 1 790 . 1 . 1 66 66 VAL CG1 C 13 19.746 0.400 . 2 . . . . A 66 VAL CG1 . 34572 1 791 . 1 . 1 66 66 VAL CG2 C 13 22.337 0.400 . 2 . . . . A 66 VAL CG2 . 34572 1 792 . 1 . 1 66 66 VAL N N 15 119.505 0.400 . 1 . . . . A 66 VAL N . 34572 1 793 . 1 . 1 67 67 ALA H H 1 7.826 0.020 . 1 . . . . A 67 ALA H . 34572 1 794 . 1 . 1 67 67 ALA HA H 1 4.486 0.020 . 1 . . . . A 67 ALA HA . 34572 1 795 . 1 . 1 67 67 ALA HB1 H 1 -0.197 0.020 . 1 . . . . A 67 ALA HB1 . 34572 1 796 . 1 . 1 67 67 ALA HB2 H 1 -0.197 0.020 . 1 . . . . A 67 ALA HB2 . 34572 1 797 . 1 . 1 67 67 ALA HB3 H 1 -0.197 0.020 . 1 . . . . A 67 ALA HB3 . 34572 1 798 . 1 . 1 67 67 ALA C C 13 172.156 0.400 . 1 . . . . A 67 ALA C . 34572 1 799 . 1 . 1 67 67 ALA CA C 13 48.637 0.400 . 1 . . . . A 67 ALA CA . 34572 1 800 . 1 . 1 67 67 ALA CB C 13 18.756 0.400 . 1 . . . . A 67 ALA CB . 34572 1 801 . 1 . 1 67 67 ALA N N 15 122.488 0.400 . 1 . . . . A 67 ALA N . 34572 1 802 . 1 . 1 68 68 PRO HA H 1 4.222 0.020 . 1 . . . . A 68 PRO HA . 34572 1 803 . 1 . 1 68 68 PRO HB2 H 1 1.799 0.020 . 2 . . . . A 68 PRO HB2 . 34572 1 804 . 1 . 1 68 68 PRO HB3 H 1 1.670 0.020 . 2 . . . . A 68 PRO HB3 . 34572 1 805 . 1 . 1 68 68 PRO HG2 H 1 1.216 0.020 . 2 . . . . A 68 PRO HG2 . 34572 1 806 . 1 . 1 68 68 PRO HG3 H 1 1.113 0.020 . 2 . . . . A 68 PRO HG3 . 34572 1 807 . 1 . 1 68 68 PRO HD2 H 1 2.898 0.020 . 2 . . . . A 68 PRO HD2 . 34572 1 808 . 1 . 1 68 68 PRO HD3 H 1 2.501 0.020 . 2 . . . . A 68 PRO HD3 . 34572 1 809 . 1 . 1 68 68 PRO C C 13 176.725 0.400 . 1 . . . . A 68 PRO C . 34572 1 810 . 1 . 1 68 68 PRO CA C 13 63.206 0.400 . 1 . . . . A 68 PRO CA . 34572 1 811 . 1 . 1 68 68 PRO CB C 13 29.960 0.400 . 1 . . . . A 68 PRO CB . 34572 1 812 . 1 . 1 68 68 PRO CG C 13 26.458 0.400 . 1 . . . . A 68 PRO CG . 34572 1 813 . 1 . 1 68 68 PRO CD C 13 49.109 0.400 . 1 . . . . A 68 PRO CD . 34572 1 814 . 1 . 1 69 69 GLY H H 1 8.394 0.020 . 1 . . . . A 69 GLY H . 34572 1 815 . 1 . 1 69 69 GLY HA2 H 1 3.855 0.020 . 2 . . . . A 69 GLY HA2 . 34572 1 816 . 1 . 1 69 69 GLY HA3 H 1 4.633 0.020 . 2 . . . . A 69 GLY HA3 . 34572 1 817 . 1 . 1 69 69 GLY C C 13 175.987 0.400 . 1 . . . . A 69 GLY C . 34572 1 818 . 1 . 1 69 69 GLY CA C 13 44.527 0.400 . 1 . . . . A 69 GLY CA . 34572 1 819 . 1 . 1 69 69 GLY N N 15 109.776 0.400 . 1 . . . . A 69 GLY N . 34572 1 820 . 1 . 1 70 70 THR H H 1 8.123 0.020 . 1 . . . . A 70 THR H . 34572 1 821 . 1 . 1 70 70 THR HA H 1 4.459 0.020 . 1 . . . . A 70 THR HA . 34572 1 822 . 1 . 1 70 70 THR HB H 1 3.529 0.020 . 1 . . . . A 70 THR HB . 34572 1 823 . 1 . 1 70 70 THR HG1 H 1 4.553 0.020 . 1 . . . . A 70 THR HG1 . 34572 1 824 . 1 . 1 70 70 THR HG21 H 1 0.752 0.020 . 1 . . . . A 70 THR HG21 . 34572 1 825 . 1 . 1 70 70 THR HG22 H 1 0.752 0.020 . 1 . . . . A 70 THR HG22 . 34572 1 826 . 1 . 1 70 70 THR HG23 H 1 0.752 0.020 . 1 . . . . A 70 THR HG23 . 34572 1 827 . 1 . 1 70 70 THR C C 13 174.236 0.400 . 1 . . . . A 70 THR C . 34572 1 828 . 1 . 1 70 70 THR CA C 13 62.423 0.400 . 1 . . . . A 70 THR CA . 34572 1 829 . 1 . 1 70 70 THR CB C 13 68.026 0.400 . 1 . . . . A 70 THR CB . 34572 1 830 . 1 . 1 70 70 THR CG2 C 13 22.183 0.400 . 1 . . . . A 70 THR CG2 . 34572 1 831 . 1 . 1 70 70 THR N N 15 111.118 0.400 . 1 . . . . A 70 THR N . 34572 1 832 . 1 . 1 71 71 ASP H H 1 8.985 0.020 . 1 . . . . A 71 ASP H . 34572 1 833 . 1 . 1 71 71 ASP HA H 1 4.394 0.020 . 1 . . . . A 71 ASP HA . 34572 1 834 . 1 . 1 71 71 ASP HB2 H 1 2.526 0.020 . 2 . . . . A 71 ASP HB2 . 34572 1 835 . 1 . 1 71 71 ASP HB3 H 1 2.526 0.020 . 2 . . . . A 71 ASP HB3 . 34572 1 836 . 1 . 1 71 71 ASP C C 13 173.538 0.400 . 1 . . . . A 71 ASP C . 34572 1 837 . 1 . 1 71 71 ASP CA C 13 53.426 0.400 . 1 . . . . A 71 ASP CA . 34572 1 838 . 1 . 1 71 71 ASP CB C 13 37.135 0.400 . 1 . . . . A 71 ASP CB . 34572 1 839 . 1 . 1 71 71 ASP N N 15 121.341 0.400 . 1 . . . . A 71 ASP N . 34572 1 840 . 1 . 1 72 72 SER H H 1 7.881 0.020 . 1 . . . . A 72 SER H . 34572 1 841 . 1 . 1 72 72 SER HA H 1 5.064 0.020 . 1 . . . . A 72 SER HA . 34572 1 842 . 1 . 1 72 72 SER HB2 H 1 4.503 0.020 . 2 . . . . A 72 SER HB2 . 34572 1 843 . 1 . 1 72 72 SER HB3 H 1 4.031 0.020 . 2 . . . . A 72 SER HB3 . 34572 1 844 . 1 . 1 72 72 SER C C 13 173.999 0.400 . 1 . . . . A 72 SER C . 34572 1 845 . 1 . 1 72 72 SER CA C 13 55.333 0.400 . 1 . . . . A 72 SER CA . 34572 1 846 . 1 . 1 72 72 SER CB C 13 64.341 0.400 . 1 . . . . A 72 SER CB . 34572 1 847 . 1 . 1 72 72 SER N N 15 117.101 0.400 . 1 . . . . A 72 SER N . 34572 1 848 . 1 . 1 73 73 PRO HA H 1 4.253 0.020 . 1 . . . . A 73 PRO HA . 34572 1 849 . 1 . 1 73 73 PRO HB2 H 1 1.961 0.020 . 2 . . . . A 73 PRO HB2 . 34572 1 850 . 1 . 1 73 73 PRO HB3 H 1 2.461 0.020 . 2 . . . . A 73 PRO HB3 . 34572 1 851 . 1 . 1 73 73 PRO HG2 H 1 2.237 0.020 . 2 . . . . A 73 PRO HG2 . 34572 1 852 . 1 . 1 73 73 PRO HG3 H 1 2.064 0.020 . 2 . . . . A 73 PRO HG3 . 34572 1 853 . 1 . 1 73 73 PRO HD2 H 1 4.043 0.020 . 2 . . . . A 73 PRO HD2 . 34572 1 854 . 1 . 1 73 73 PRO HD3 H 1 4.043 0.020 . 2 . . . . A 73 PRO HD3 . 34572 1 855 . 1 . 1 73 73 PRO C C 13 177.041 0.400 . 1 . . . . A 73 PRO C . 34572 1 856 . 1 . 1 73 73 PRO CA C 13 64.900 0.400 . 1 . . . . A 73 PRO CA . 34572 1 857 . 1 . 1 73 73 PRO CB C 13 31.762 0.400 . 1 . . . . A 73 PRO CB . 34572 1 858 . 1 . 1 73 73 PRO CG C 13 27.230 0.400 . 1 . . . . A 73 PRO CG . 34572 1 859 . 1 . 1 73 73 PRO CD C 13 50.840 0.400 . 1 . . . . A 73 PRO CD . 34572 1 860 . 1 . 1 74 74 GLU H H 1 8.670 0.020 . 1 . . . . A 74 GLU H . 34572 1 861 . 1 . 1 74 74 GLU HA H 1 3.988 0.020 . 1 . . . . A 74 GLU HA . 34572 1 862 . 1 . 1 74 74 GLU HB2 H 1 2.087 0.020 . 2 . . . . A 74 GLU HB2 . 34572 1 863 . 1 . 1 74 74 GLU HB3 H 1 2.167 0.020 . 2 . . . . A 74 GLU HB3 . 34572 1 864 . 1 . 1 74 74 GLU HG2 H 1 2.420 0.020 . 2 . . . . A 74 GLU HG2 . 34572 1 865 . 1 . 1 74 74 GLU HG3 H 1 2.420 0.020 . 2 . . . . A 74 GLU HG3 . 34572 1 866 . 1 . 1 74 74 GLU C C 13 173.367 0.400 . 1 . . . . A 74 GLU C . 34572 1 867 . 1 . 1 74 74 GLU CA C 13 57.443 0.400 . 1 . . . . A 74 GLU CA . 34572 1 868 . 1 . 1 74 74 GLU CB C 13 29.204 0.400 . 1 . . . . A 74 GLU CB . 34572 1 869 . 1 . 1 74 74 GLU CG C 13 36.237 0.400 . 1 . . . . A 74 GLU CG . 34572 1 870 . 1 . 1 74 74 GLU N N 15 113.133 0.400 . 1 . . . . A 74 GLU N . 34572 1 871 . 1 . 1 75 75 PHE H H 1 7.472 0.020 . 1 . . . . A 75 PHE H . 34572 1 872 . 1 . 1 75 75 PHE HA H 1 4.606 0.020 . 1 . . . . A 75 PHE HA . 34572 1 873 . 1 . 1 75 75 PHE HB2 H 1 2.067 0.020 . 2 . . . . A 75 PHE HB2 . 34572 1 874 . 1 . 1 75 75 PHE HB3 H 1 3.811 0.020 . 2 . . . . A 75 PHE HB3 . 34572 1 875 . 1 . 1 75 75 PHE HD1 H 1 6.093 0.020 . 1 . . . . A 75 PHE HD1 . 34572 1 876 . 1 . 1 75 75 PHE HD2 H 1 6.093 0.020 . 1 . . . . A 75 PHE HD2 . 34572 1 877 . 1 . 1 75 75 PHE HE1 H 1 6.855 0.020 . 1 . . . . A 75 PHE HE1 . 34572 1 878 . 1 . 1 75 75 PHE HE2 H 1 6.855 0.020 . 1 . . . . A 75 PHE HE2 . 34572 1 879 . 1 . 1 75 75 PHE HZ H 1 6.849 0.020 . 1 . . . . A 75 PHE HZ . 34572 1 880 . 1 . 1 75 75 PHE C C 13 174.908 0.400 . 1 . . . . A 75 PHE C . 34572 1 881 . 1 . 1 75 75 PHE CA C 13 55.840 0.400 . 1 . . . . A 75 PHE CA . 34572 1 882 . 1 . 1 75 75 PHE CB C 13 38.561 0.400 . 1 . . . . A 75 PHE CB . 34572 1 883 . 1 . 1 75 75 PHE CD1 C 13 129.896 0.400 . 3 . . . . A 75 PHE CD1 . 34572 1 884 . 1 . 1 75 75 PHE CE1 C 13 129.799 0.400 . 3 . . . . A 75 PHE CE1 . 34572 1 885 . 1 . 1 75 75 PHE CZ C 13 127.566 0.400 . 1 . . . . A 75 PHE CZ . 34572 1 886 . 1 . 1 75 75 PHE N N 15 117.722 0.400 . 1 . . . . A 75 PHE N . 34572 1 887 . 1 . 1 76 76 TYR H H 1 8.545 0.020 . 1 . . . . A 76 TYR H . 34572 1 888 . 1 . 1 76 76 TYR HA H 1 3.852 0.020 . 1 . . . . A 76 TYR HA . 34572 1 889 . 1 . 1 76 76 TYR HB2 H 1 2.740 0.020 . 2 . . . . A 76 TYR HB2 . 34572 1 890 . 1 . 1 76 76 TYR HB3 H 1 3.195 0.020 . 2 . . . . A 76 TYR HB3 . 34572 1 891 . 1 . 1 76 76 TYR HD1 H 1 5.859 0.020 . 1 . . . . A 76 TYR HD1 . 34572 1 892 . 1 . 1 76 76 TYR HD2 H 1 5.859 0.020 . 1 . . . . A 76 TYR HD2 . 34572 1 893 . 1 . 1 76 76 TYR HE1 H 1 6.483 0.020 . 1 . . . . A 76 TYR HE1 . 34572 1 894 . 1 . 1 76 76 TYR HE2 H 1 6.483 0.020 . 1 . . . . A 76 TYR HE2 . 34572 1 895 . 1 . 1 76 76 TYR C C 13 176.093 0.400 . 1 . . . . A 76 TYR C . 34572 1 896 . 1 . 1 76 76 TYR CA C 13 59.622 0.400 . 1 . . . . A 76 TYR CA . 34572 1 897 . 1 . 1 76 76 TYR CB C 13 38.510 0.400 . 1 . . . . A 76 TYR CB . 34572 1 898 . 1 . 1 76 76 TYR CD1 C 13 131.795 0.400 . 3 . . . . A 76 TYR CD1 . 34572 1 899 . 1 . 1 76 76 TYR CE1 C 13 116.905 0.400 . 3 . . . . A 76 TYR CE1 . 34572 1 900 . 1 . 1 76 76 TYR N N 15 122.514 0.400 . 1 . . . . A 76 TYR N . 34572 1 901 . 1 . 1 77 77 GLY H H 1 8.438 0.020 . 1 . . . . A 77 GLY H . 34572 1 902 . 1 . 1 77 77 GLY HA2 H 1 3.458 0.020 . 2 . . . . A 77 GLY HA2 . 34572 1 903 . 1 . 1 77 77 GLY HA3 H 1 4.039 0.020 . 2 . . . . A 77 GLY HA3 . 34572 1 904 . 1 . 1 77 77 GLY C C 13 175.961 0.400 . 1 . . . . A 77 GLY C . 34572 1 905 . 1 . 1 77 77 GLY CA C 13 47.301 0.400 . 1 . . . . A 77 GLY CA . 34572 1 906 . 1 . 1 77 77 GLY N N 15 103.315 0.400 . 1 . . . . A 77 GLY N . 34572 1 907 . 1 . 1 78 78 LYS H H 1 6.535 0.020 . 1 . . . . A 78 LYS H . 34572 1 908 . 1 . 1 78 78 LYS HA H 1 4.045 0.020 . 1 . . . . A 78 LYS HA . 34572 1 909 . 1 . 1 78 78 LYS HB2 H 1 1.771 0.020 . 2 . . . . A 78 LYS HB2 . 34572 1 910 . 1 . 1 78 78 LYS HB3 H 1 1.633 0.020 . 2 . . . . A 78 LYS HB3 . 34572 1 911 . 1 . 1 78 78 LYS HG2 H 1 1.393 0.020 . 2 . . . . A 78 LYS HG2 . 34572 1 912 . 1 . 1 78 78 LYS HG3 H 1 1.393 0.020 . 2 . . . . A 78 LYS HG3 . 34572 1 913 . 1 . 1 78 78 LYS HD2 H 1 1.545 0.020 . 2 . . . . A 78 LYS HD2 . 34572 1 914 . 1 . 1 78 78 LYS HD3 H 1 1.383 0.020 . 2 . . . . A 78 LYS HD3 . 34572 1 915 . 1 . 1 78 78 LYS HE2 H 1 2.877 0.020 . 2 . . . . A 78 LYS HE2 . 34572 1 916 . 1 . 1 78 78 LYS HE3 H 1 2.877 0.020 . 2 . . . . A 78 LYS HE3 . 34572 1 917 . 1 . 1 78 78 LYS C C 13 178.686 0.400 . 1 . . . . A 78 LYS C . 34572 1 918 . 1 . 1 78 78 LYS CA C 13 57.805 0.400 . 1 . . . . A 78 LYS CA . 34572 1 919 . 1 . 1 78 78 LYS CB C 13 31.977 0.400 . 1 . . . . A 78 LYS CB . 34572 1 920 . 1 . 1 78 78 LYS CG C 13 24.724 0.400 . 1 . . . . A 78 LYS CG . 34572 1 921 . 1 . 1 78 78 LYS CD C 13 28.279 0.400 . 1 . . . . A 78 LYS CD . 34572 1 922 . 1 . 1 78 78 LYS CE C 13 41.634 0.400 . 1 . . . . A 78 LYS CE . 34572 1 923 . 1 . 1 78 78 LYS N N 15 120.317 0.400 . 1 . . . . A 78 LYS N . 34572 1 924 . 1 . 1 79 79 PHE H H 1 7.975 0.020 . 1 . . . . A 79 PHE H . 34572 1 925 . 1 . 1 79 79 PHE HA H 1 4.039 0.020 . 1 . . . . A 79 PHE HA . 34572 1 926 . 1 . 1 79 79 PHE HB2 H 1 3.051 0.020 . 2 . . . . A 79 PHE HB2 . 34572 1 927 . 1 . 1 79 79 PHE HB3 H 1 3.172 0.020 . 2 . . . . A 79 PHE HB3 . 34572 1 928 . 1 . 1 79 79 PHE HD1 H 1 6.900 0.020 . 1 . . . . A 79 PHE HD1 . 34572 1 929 . 1 . 1 79 79 PHE HD2 H 1 6.900 0.020 . 1 . . . . A 79 PHE HD2 . 34572 1 930 . 1 . 1 79 79 PHE HE1 H 1 6.911 0.020 . 1 . . . . A 79 PHE HE1 . 34572 1 931 . 1 . 1 79 79 PHE HE2 H 1 6.911 0.020 . 1 . . . . A 79 PHE HE2 . 34572 1 932 . 1 . 1 79 79 PHE HZ H 1 7.399 0.020 . 1 . . . . A 79 PHE HZ . 34572 1 933 . 1 . 1 79 79 PHE C C 13 174.987 0.400 . 1 . . . . A 79 PHE C . 34572 1 934 . 1 . 1 79 79 PHE CA C 13 60.899 0.400 . 1 . . . . A 79 PHE CA . 34572 1 935 . 1 . 1 79 79 PHE CB C 13 38.275 0.400 . 1 . . . . A 79 PHE CB . 34572 1 936 . 1 . 1 79 79 PHE CD1 C 13 130.871 0.400 . 3 . . . . A 79 PHE CD1 . 34572 1 937 . 1 . 1 79 79 PHE CE1 C 13 130.428 0.400 . 3 . . . . A 79 PHE CE1 . 34572 1 938 . 1 . 1 79 79 PHE CZ C 13 130.532 0.400 . 1 . . . . A 79 PHE CZ . 34572 1 939 . 1 . 1 79 79 PHE N N 15 121.847 0.400 . 1 . . . . A 79 PHE N . 34572 1 940 . 1 . 1 80 80 LYS H H 1 8.578 0.020 . 1 . . . . A 80 LYS H . 34572 1 941 . 1 . 1 80 80 LYS HA H 1 3.386 0.020 . 1 . . . . A 80 LYS HA . 34572 1 942 . 1 . 1 80 80 LYS HB2 H 1 1.425 0.020 . 2 . . . . A 80 LYS HB2 . 34572 1 943 . 1 . 1 80 80 LYS HB3 H 1 1.367 0.020 . 2 . . . . A 80 LYS HB3 . 34572 1 944 . 1 . 1 80 80 LYS HG2 H 1 1.007 0.020 . 2 . . . . A 80 LYS HG2 . 34572 1 945 . 1 . 1 80 80 LYS HG3 H 1 1.007 0.020 . 2 . . . . A 80 LYS HG3 . 34572 1 946 . 1 . 1 80 80 LYS HD2 H 1 1.363 0.020 . 2 . . . . A 80 LYS HD2 . 34572 1 947 . 1 . 1 80 80 LYS HD3 H 1 1.363 0.020 . 2 . . . . A 80 LYS HD3 . 34572 1 948 . 1 . 1 80 80 LYS HE2 H 1 2.742 0.020 . 2 . . . . A 80 LYS HE2 . 34572 1 949 . 1 . 1 80 80 LYS HE3 H 1 2.557 0.020 . 2 . . . . A 80 LYS HE3 . 34572 1 950 . 1 . 1 80 80 LYS C C 13 179.239 0.400 . 1 . . . . A 80 LYS C . 34572 1 951 . 1 . 1 80 80 LYS CA C 13 58.048 0.400 . 1 . . . . A 80 LYS CA . 34572 1 952 . 1 . 1 80 80 LYS CB C 13 30.837 0.400 . 1 . . . . A 80 LYS CB . 34572 1 953 . 1 . 1 80 80 LYS CG C 13 23.629 0.400 . 1 . . . . A 80 LYS CG . 34572 1 954 . 1 . 1 80 80 LYS CD C 13 27.840 0.400 . 1 . . . . A 80 LYS CD . 34572 1 955 . 1 . 1 80 80 LYS CE C 13 40.992 0.400 . 1 . . . . A 80 LYS CE . 34572 1 956 . 1 . 1 80 80 LYS N N 15 117.837 0.400 . 1 . . . . A 80 LYS N . 34572 1 957 . 1 . 1 81 81 GLU H H 1 7.760 0.020 . 1 . . . . A 81 GLU H . 34572 1 958 . 1 . 1 81 81 GLU HA H 1 3.981 0.020 . 1 . . . . A 81 GLU HA . 34572 1 959 . 1 . 1 81 81 GLU HB2 H 1 2.026 0.020 . 2 . . . . A 81 GLU HB2 . 34572 1 960 . 1 . 1 81 81 GLU HB3 H 1 1.990 0.020 . 2 . . . . A 81 GLU HB3 . 34572 1 961 . 1 . 1 81 81 GLU HG2 H 1 2.335 0.020 . 2 . . . . A 81 GLU HG2 . 34572 1 962 . 1 . 1 81 81 GLU HG3 H 1 2.187 0.020 . 2 . . . . A 81 GLU HG3 . 34572 1 963 . 1 . 1 81 81 GLU C C 13 178.555 0.400 . 1 . . . . A 81 GLU C . 34572 1 964 . 1 . 1 81 81 GLU CA C 13 58.538 0.400 . 1 . . . . A 81 GLU CA . 34572 1 965 . 1 . 1 81 81 GLU CB C 13 29.112 0.400 . 1 . . . . A 81 GLU CB . 34572 1 966 . 1 . 1 81 81 GLU CG C 13 35.552 0.400 . 1 . . . . A 81 GLU CG . 34572 1 967 . 1 . 1 81 81 GLU N N 15 118.947 0.400 . 1 . . . . A 81 GLU N . 34572 1 968 . 1 . 1 82 82 GLY H H 1 7.817 0.020 . 1 . . . . A 82 GLY H . 34572 1 969 . 1 . 1 82 82 GLY HA2 H 1 4.109 0.020 . 2 . . . . A 82 GLY HA2 . 34572 1 970 . 1 . 1 82 82 GLY HA3 H 1 3.512 0.020 . 2 . . . . A 82 GLY HA3 . 34572 1 971 . 1 . 1 82 82 GLY C C 13 175.461 0.400 . 1 . . . . A 82 GLY C . 34572 1 972 . 1 . 1 82 82 GLY CA C 13 46.283 0.400 . 1 . . . . A 82 GLY CA . 34572 1 973 . 1 . 1 82 82 GLY N N 15 108.382 0.400 . 1 . . . . A 82 GLY N . 34572 1 974 . 1 . 1 83 83 VAL H H 1 8.241 0.020 . 1 . . . . A 83 VAL H . 34572 1 975 . 1 . 1 83 83 VAL HA H 1 3.269 0.020 . 1 . . . . A 83 VAL HA . 34572 1 976 . 1 . 1 83 83 VAL HB H 1 1.491 0.020 . 1 . . . . A 83 VAL HB . 34572 1 977 . 1 . 1 83 83 VAL HG11 H 1 0.630 0.020 . 2 . . . . A 83 VAL HG11 . 34572 1 978 . 1 . 1 83 83 VAL HG12 H 1 0.630 0.020 . 2 . . . . A 83 VAL HG12 . 34572 1 979 . 1 . 1 83 83 VAL HG13 H 1 0.630 0.020 . 2 . . . . A 83 VAL HG13 . 34572 1 980 . 1 . 1 83 83 VAL HG21 H 1 -0.653 0.020 . 2 . . . . A 83 VAL HG21 . 34572 1 981 . 1 . 1 83 83 VAL HG22 H 1 -0.653 0.020 . 2 . . . . A 83 VAL HG22 . 34572 1 982 . 1 . 1 83 83 VAL HG23 H 1 -0.653 0.020 . 2 . . . . A 83 VAL HG23 . 34572 1 983 . 1 . 1 83 83 VAL C C 13 178.805 0.400 . 1 . . . . A 83 VAL C . 34572 1 984 . 1 . 1 83 83 VAL CA C 13 65.306 0.400 . 1 . . . . A 83 VAL CA . 34572 1 985 . 1 . 1 83 83 VAL CB C 13 31.181 0.400 . 1 . . . . A 83 VAL CB . 34572 1 986 . 1 . 1 83 83 VAL CG1 C 13 19.801 0.400 . 2 . . . . A 83 VAL CG1 . 34572 1 987 . 1 . 1 83 83 VAL CG2 C 13 19.745 0.400 . 2 . . . . A 83 VAL CG2 . 34572 1 988 . 1 . 1 83 83 VAL N N 15 124.305 0.400 . 1 . . . . A 83 VAL N . 34572 1 989 . 1 . 1 84 84 ALA H H 1 7.683 0.020 . 1 . . . . A 84 ALA H . 34572 1 990 . 1 . 1 84 84 ALA HA H 1 4.053 0.020 . 1 . . . . A 84 ALA HA . 34572 1 991 . 1 . 1 84 84 ALA HB1 H 1 1.417 0.020 . 1 . . . . A 84 ALA HB1 . 34572 1 992 . 1 . 1 84 84 ALA HB2 H 1 1.417 0.020 . 1 . . . . A 84 ALA HB2 . 34572 1 993 . 1 . 1 84 84 ALA HB3 H 1 1.417 0.020 . 1 . . . . A 84 ALA HB3 . 34572 1 994 . 1 . 1 84 84 ALA C C 13 179.226 0.400 . 1 . . . . A 84 ALA C . 34572 1 995 . 1 . 1 84 84 ALA CA C 13 54.179 0.400 . 1 . . . . A 84 ALA CA . 34572 1 996 . 1 . 1 84 84 ALA CB C 13 17.771 0.400 . 1 . . . . A 84 ALA CB . 34572 1 997 . 1 . 1 84 84 ALA N N 15 120.254 0.400 . 1 . . . . A 84 ALA N . 34572 1 998 . 1 . 1 85 85 SER H H 1 8.103 0.020 . 1 . . . . A 85 SER H . 34572 1 999 . 1 . 1 85 85 SER HA H 1 4.377 0.020 . 1 . . . . A 85 SER HA . 34572 1 1000 . 1 . 1 85 85 SER HB2 H 1 3.997 0.020 . 2 . . . . A 85 SER HB2 . 34572 1 1001 . 1 . 1 85 85 SER HB3 H 1 4.069 0.020 . 2 . . . . A 85 SER HB3 . 34572 1 1002 . 1 . 1 85 85 SER HG H 1 4.782 0.020 . 1 . . . . A 85 SER HG . 34572 1 1003 . 1 . 1 85 85 SER C C 13 175.250 0.400 . 1 . . . . A 85 SER C . 34572 1 1004 . 1 . 1 85 85 SER CA C 13 58.656 0.400 . 1 . . . . A 85 SER CA . 34572 1 1005 . 1 . 1 85 85 SER CB C 13 63.832 0.400 . 1 . . . . A 85 SER CB . 34572 1 1006 . 1 . 1 85 85 SER N N 15 110.450 0.400 . 1 . . . . A 85 SER N . 34572 1 1007 . 1 . 1 86 86 GLY H H 1 7.814 0.020 . 1 . . . . A 86 GLY H . 34572 1 1008 . 1 . 1 86 86 GLY HA2 H 1 3.969 0.020 . 2 . . . . A 86 GLY HA2 . 34572 1 1009 . 1 . 1 86 86 GLY HA3 H 1 4.236 0.020 . 2 . . . . A 86 GLY HA3 . 34572 1 1010 . 1 . 1 86 86 GLY C C 13 172.946 0.400 . 1 . . . . A 86 GLY C . 34572 1 1011 . 1 . 1 86 86 GLY CA C 13 45.373 0.400 . 1 . . . . A 86 GLY CA . 34572 1 1012 . 1 . 1 86 86 GLY N N 15 110.483 0.400 . 1 . . . . A 86 GLY N . 34572 1 1013 . 1 . 1 87 87 ASN H H 1 8.122 0.020 . 1 . . . . A 87 ASN H . 34572 1 1014 . 1 . 1 87 87 ASN HA H 1 4.965 0.020 . 1 . . . . A 87 ASN HA . 34572 1 1015 . 1 . 1 87 87 ASN HB2 H 1 2.739 0.020 . 2 . . . . A 87 ASN HB2 . 34572 1 1016 . 1 . 1 87 87 ASN HB3 H 1 2.739 0.020 . 2 . . . . A 87 ASN HB3 . 34572 1 1017 . 1 . 1 87 87 ASN HD21 H 1 6.902 0.020 . 2 . . . . A 87 ASN HD21 . 34572 1 1018 . 1 . 1 87 87 ASN HD22 H 1 7.505 0.020 . 2 . . . . A 87 ASN HD22 . 34572 1 1019 . 1 . 1 87 87 ASN C C 13 173.170 0.400 . 1 . . . . A 87 ASN C . 34572 1 1020 . 1 . 1 87 87 ASN CA C 13 51.312 0.400 . 1 . . . . A 87 ASN CA . 34572 1 1021 . 1 . 1 87 87 ASN CB C 13 38.976 0.400 . 1 . . . . A 87 ASN CB . 34572 1 1022 . 1 . 1 87 87 ASN N N 15 118.077 0.400 . 1 . . . . A 87 ASN N . 34572 1 1023 . 1 . 1 87 87 ASN ND2 N 15 111.957 0.400 . 1 . . . . A 87 ASN ND2 . 34572 1 1024 . 1 . 1 88 88 LEU H H 1 7.789 0.020 . 1 . . . . A 88 LEU H . 34572 1 1025 . 1 . 1 88 88 LEU HA H 1 4.355 0.020 . 1 . . . . A 88 LEU HA . 34572 1 1026 . 1 . 1 88 88 LEU HB2 H 1 1.861 0.020 . 2 . . . . A 88 LEU HB2 . 34572 1 1027 . 1 . 1 88 88 LEU HB3 H 1 0.967 0.020 . 2 . . . . A 88 LEU HB3 . 34572 1 1028 . 1 . 1 88 88 LEU HG H 1 1.373 0.020 . 1 . . . . A 88 LEU HG . 34572 1 1029 . 1 . 1 88 88 LEU HD11 H 1 1.029 0.020 . 2 . . . . A 88 LEU HD11 . 34572 1 1030 . 1 . 1 88 88 LEU HD12 H 1 1.029 0.020 . 2 . . . . A 88 LEU HD12 . 34572 1 1031 . 1 . 1 88 88 LEU HD13 H 1 1.029 0.020 . 2 . . . . A 88 LEU HD13 . 34572 1 1032 . 1 . 1 88 88 LEU HD21 H 1 0.927 0.020 . 2 . . . . A 88 LEU HD21 . 34572 1 1033 . 1 . 1 88 88 LEU HD22 H 1 0.927 0.020 . 2 . . . . A 88 LEU HD22 . 34572 1 1034 . 1 . 1 88 88 LEU HD23 H 1 0.927 0.020 . 2 . . . . A 88 LEU HD23 . 34572 1 1035 . 1 . 1 88 88 LEU C C 13 174.789 0.400 . 1 . . . . A 88 LEU C . 34572 1 1036 . 1 . 1 88 88 LEU CA C 13 54.895 0.400 . 1 . . . . A 88 LEU CA . 34572 1 1037 . 1 . 1 88 88 LEU CB C 13 42.722 0.400 . 1 . . . . A 88 LEU CB . 34572 1 1038 . 1 . 1 88 88 LEU CG C 13 26.115 0.400 . 1 . . . . A 88 LEU CG . 34572 1 1039 . 1 . 1 88 88 LEU CD1 C 13 22.751 0.400 . 2 . . . . A 88 LEU CD1 . 34572 1 1040 . 1 . 1 88 88 LEU CD2 C 13 27.088 0.400 . 2 . . . . A 88 LEU CD2 . 34572 1 1041 . 1 . 1 88 88 LEU N N 15 121.455 0.400 . 1 . . . . A 88 LEU N . 34572 1 1042 . 1 . 1 89 89 ASN H H 1 8.973 0.020 . 1 . . . . A 89 ASN H . 34572 1 1043 . 1 . 1 89 89 ASN HA H 1 5.616 0.020 . 1 . . . . A 89 ASN HA . 34572 1 1044 . 1 . 1 89 89 ASN HB2 H 1 3.036 0.020 . 2 . . . . A 89 ASN HB2 . 34572 1 1045 . 1 . 1 89 89 ASN HB3 H 1 3.305 0.020 . 2 . . . . A 89 ASN HB3 . 34572 1 1046 . 1 . 1 89 89 ASN HD21 H 1 7.209 0.020 . 2 . . . . A 89 ASN HD21 . 34572 1 1047 . 1 . 1 89 89 ASN HD22 H 1 7.781 0.020 . 2 . . . . A 89 ASN HD22 . 34572 1 1048 . 1 . 1 89 89 ASN C C 13 173.420 0.400 . 1 . . . . A 89 ASN C . 34572 1 1049 . 1 . 1 89 89 ASN CA C 13 53.213 0.400 . 1 . . . . A 89 ASN CA . 34572 1 1050 . 1 . 1 89 89 ASN CB C 13 35.642 0.400 . 1 . . . . A 89 ASN CB . 34572 1 1051 . 1 . 1 89 89 ASN N N 15 125.778 0.400 . 1 . . . . A 89 ASN N . 34572 1 1052 . 1 . 1 89 89 ASN ND2 N 15 110.955 0.400 . 1 . . . . A 89 ASN ND2 . 34572 1 1053 . 1 . 1 90 90 THR H H 1 9.158 0.020 . 1 . . . . A 90 THR H . 34572 1 1054 . 1 . 1 90 90 THR HA H 1 5.040 0.020 . 1 . . . . A 90 THR HA . 34572 1 1055 . 1 . 1 90 90 THR HB H 1 4.246 0.020 . 1 . . . . A 90 THR HB . 34572 1 1056 . 1 . 1 90 90 THR HG21 H 1 1.305 0.020 . 1 . . . . A 90 THR HG21 . 34572 1 1057 . 1 . 1 90 90 THR HG22 H 1 1.305 0.020 . 1 . . . . A 90 THR HG22 . 34572 1 1058 . 1 . 1 90 90 THR HG23 H 1 1.305 0.020 . 1 . . . . A 90 THR HG23 . 34572 1 1059 . 1 . 1 90 90 THR C C 13 170.549 0.400 . 1 . . . . A 90 THR C . 34572 1 1060 . 1 . 1 90 90 THR CA C 13 60.579 0.400 . 1 . . . . A 90 THR CA . 34572 1 1061 . 1 . 1 90 90 THR CB C 13 69.445 0.400 . 1 . . . . A 90 THR CB . 34572 1 1062 . 1 . 1 90 90 THR CG2 C 13 19.593 0.400 . 1 . . . . A 90 THR CG2 . 34572 1 1063 . 1 . 1 90 90 THR N N 15 119.418 0.400 . 1 . . . . A 90 THR N . 34572 1 1064 . 1 . 1 91 91 MET H H 1 8.443 0.020 . 1 . . . . A 91 MET H . 34572 1 1065 . 1 . 1 91 91 MET HA H 1 6.193 0.020 . 1 . . . . A 91 MET HA . 34572 1 1066 . 1 . 1 91 91 MET HB2 H 1 1.954 0.020 . 2 . . . . A 91 MET HB2 . 34572 1 1067 . 1 . 1 91 91 MET HB3 H 1 1.954 0.020 . 2 . . . . A 91 MET HB3 . 34572 1 1068 . 1 . 1 91 91 MET HG2 H 1 2.410 0.020 . 2 . . . . A 91 MET HG2 . 34572 1 1069 . 1 . 1 91 91 MET HG3 H 1 2.498 0.020 . 2 . . . . A 91 MET HG3 . 34572 1 1070 . 1 . 1 91 91 MET HE1 H 1 1.449 0.020 . 1 . . . . A 91 MET HE1 . 34572 1 1071 . 1 . 1 91 91 MET HE2 H 1 1.449 0.020 . 1 . . . . A 91 MET HE2 . 34572 1 1072 . 1 . 1 91 91 MET HE3 H 1 1.449 0.020 . 1 . . . . A 91 MET HE3 . 34572 1 1073 . 1 . 1 91 91 MET C C 13 174.802 0.400 . 1 . . . . A 91 MET C . 34572 1 1074 . 1 . 1 91 91 MET CA C 13 53.872 0.400 . 1 . . . . A 91 MET CA . 34572 1 1075 . 1 . 1 91 91 MET CB C 13 36.524 0.400 . 1 . . . . A 91 MET CB . 34572 1 1076 . 1 . 1 91 91 MET CG C 13 31.364 0.400 . 1 . . . . A 91 MET CG . 34572 1 1077 . 1 . 1 91 91 MET CE C 13 15.838 0.400 . 1 . . . . A 91 MET CE . 34572 1 1078 . 1 . 1 91 91 MET N N 15 126.855 0.400 . 1 . . . . A 91 MET N . 34572 1 1079 . 1 . 1 92 92 PHE H H 1 8.946 0.020 . 1 . . . . A 92 PHE H . 34572 1 1080 . 1 . 1 92 92 PHE HA H 1 5.074 0.020 . 1 . . . . A 92 PHE HA . 34572 1 1081 . 1 . 1 92 92 PHE HB2 H 1 3.390 0.020 . 2 . . . . A 92 PHE HB2 . 34572 1 1082 . 1 . 1 92 92 PHE HB3 H 1 3.513 0.020 . 2 . . . . A 92 PHE HB3 . 34572 1 1083 . 1 . 1 92 92 PHE HD1 H 1 7.202 0.020 . 1 . . . . A 92 PHE HD1 . 34572 1 1084 . 1 . 1 92 92 PHE HD2 H 1 7.202 0.020 . 1 . . . . A 92 PHE HD2 . 34572 1 1085 . 1 . 1 92 92 PHE HE1 H 1 6.654 0.020 . 1 . . . . A 92 PHE HE1 . 34572 1 1086 . 1 . 1 92 92 PHE HE2 H 1 6.654 0.020 . 1 . . . . A 92 PHE HE2 . 34572 1 1087 . 1 . 1 92 92 PHE HZ H 1 5.471 0.020 . 1 . . . . A 92 PHE HZ . 34572 1 1088 . 1 . 1 92 92 PHE C C 13 172.445 0.400 . 1 . . . . A 92 PHE C . 34572 1 1089 . 1 . 1 92 92 PHE CA C 13 55.943 0.400 . 1 . . . . A 92 PHE CA . 34572 1 1090 . 1 . 1 92 92 PHE CB C 13 39.069 0.400 . 1 . . . . A 92 PHE CB . 34572 1 1091 . 1 . 1 92 92 PHE CD1 C 13 132.183 0.400 . 3 . . . . A 92 PHE CD1 . 34572 1 1092 . 1 . 1 92 92 PHE CE1 C 13 129.564 0.400 . 3 . . . . A 92 PHE CE1 . 34572 1 1093 . 1 . 1 92 92 PHE CZ C 13 128.227 0.400 . 1 . . . . A 92 PHE CZ . 34572 1 1094 . 1 . 1 92 92 PHE N N 15 120.302 0.400 . 1 . . . . A 92 PHE N . 34572 1 1095 . 1 . 1 93 93 GLU H H 1 8.864 0.020 . 1 . . . . A 93 GLU H . 34572 1 1096 . 1 . 1 93 93 GLU HA H 1 5.347 0.020 . 1 . . . . A 93 GLU HA . 34572 1 1097 . 1 . 1 93 93 GLU HB2 H 1 2.120 0.020 . 2 . . . . A 93 GLU HB2 . 34572 1 1098 . 1 . 1 93 93 GLU HB3 H 1 2.120 0.020 . 2 . . . . A 93 GLU HB3 . 34572 1 1099 . 1 . 1 93 93 GLU HG2 H 1 2.242 0.020 . 2 . . . . A 93 GLU HG2 . 34572 1 1100 . 1 . 1 93 93 GLU HG3 H 1 2.467 0.020 . 2 . . . . A 93 GLU HG3 . 34572 1 1101 . 1 . 1 93 93 GLU C C 13 175.197 0.400 . 1 . . . . A 93 GLU C . 34572 1 1102 . 1 . 1 93 93 GLU CA C 13 55.136 0.400 . 1 . . . . A 93 GLU CA . 34572 1 1103 . 1 . 1 93 93 GLU CB C 13 31.739 0.400 . 1 . . . . A 93 GLU CB . 34572 1 1104 . 1 . 1 93 93 GLU CG C 13 37.182 0.400 . 1 . . . . A 93 GLU CG . 34572 1 1105 . 1 . 1 93 93 GLU N N 15 118.953 0.400 . 1 . . . . A 93 GLU N . 34572 1 1106 . 1 . 1 94 94 TRP H H 1 9.331 0.020 . 1 . . . . A 94 TRP H . 34572 1 1107 . 1 . 1 94 94 TRP HA H 1 5.056 0.020 . 1 . . . . A 94 TRP HA . 34572 1 1108 . 1 . 1 94 94 TRP HB2 H 1 3.385 0.020 . 2 . . . . A 94 TRP HB2 . 34572 1 1109 . 1 . 1 94 94 TRP HB3 H 1 2.905 0.020 . 2 . . . . A 94 TRP HB3 . 34572 1 1110 . 1 . 1 94 94 TRP HD1 H 1 7.114 0.020 . 1 . . . . A 94 TRP HD1 . 34572 1 1111 . 1 . 1 94 94 TRP HE1 H 1 12.050 0.020 . 1 . . . . A 94 TRP HE1 . 34572 1 1112 . 1 . 1 94 94 TRP HE3 H 1 8.350 0.020 . 1 . . . . A 94 TRP HE3 . 34572 1 1113 . 1 . 1 94 94 TRP HZ2 H 1 7.739 0.020 . 1 . . . . A 94 TRP HZ2 . 34572 1 1114 . 1 . 1 94 94 TRP HZ3 H 1 7.317 0.020 . 1 . . . . A 94 TRP HZ3 . 34572 1 1115 . 1 . 1 94 94 TRP HH2 H 1 7.555 0.020 . 1 . . . . A 94 TRP HH2 . 34572 1 1116 . 1 . 1 94 94 TRP C C 13 171.971 0.400 . 1 . . . . A 94 TRP C . 34572 1 1117 . 1 . 1 94 94 TRP CA C 13 55.611 0.400 . 1 . . . . A 94 TRP CA . 34572 1 1118 . 1 . 1 94 94 TRP CB C 13 35.384 0.400 . 1 . . . . A 94 TRP CB . 34572 1 1119 . 1 . 1 94 94 TRP CD1 C 13 127.205 0.400 . 1 . . . . A 94 TRP CD1 . 34572 1 1120 . 1 . 1 94 94 TRP CE3 C 13 121.248 0.400 . 1 . . . . A 94 TRP CE3 . 34572 1 1121 . 1 . 1 94 94 TRP CZ2 C 13 115.128 0.400 . 1 . . . . A 94 TRP CZ2 . 34572 1 1122 . 1 . 1 94 94 TRP CZ3 C 13 121.771 0.400 . 1 . . . . A 94 TRP CZ3 . 34572 1 1123 . 1 . 1 94 94 TRP CH2 C 13 124.453 0.400 . 1 . . . . A 94 TRP CH2 . 34572 1 1124 . 1 . 1 94 94 TRP N N 15 123.750 0.400 . 1 . . . . A 94 TRP N . 34572 1 1125 . 1 . 1 94 94 TRP NE1 N 15 132.322 0.400 . 1 . . . . A 94 TRP NE1 . 34572 1 1126 . 1 . 1 95 95 MET H H 1 6.749 0.020 . 1 . . . . A 95 MET H . 34572 1 1127 . 1 . 1 95 95 MET HA H 1 5.160 0.020 . 1 . . . . A 95 MET HA . 34572 1 1128 . 1 . 1 95 95 MET HB2 H 1 1.662 0.020 . 2 . . . . A 95 MET HB2 . 34572 1 1129 . 1 . 1 95 95 MET HB3 H 1 1.662 0.020 . 2 . . . . A 95 MET HB3 . 34572 1 1130 . 1 . 1 95 95 MET HG2 H 1 2.246 0.020 . 2 . . . . A 95 MET HG2 . 34572 1 1131 . 1 . 1 95 95 MET HG3 H 1 2.281 0.020 . 2 . . . . A 95 MET HG3 . 34572 1 1132 . 1 . 1 95 95 MET HE1 H 1 1.919 0.020 . 1 . . . . A 95 MET HE1 . 34572 1 1133 . 1 . 1 95 95 MET HE2 H 1 1.919 0.020 . 1 . . . . A 95 MET HE2 . 34572 1 1134 . 1 . 1 95 95 MET HE3 H 1 1.919 0.020 . 1 . . . . A 95 MET HE3 . 34572 1 1135 . 1 . 1 95 95 MET C C 13 173.709 0.400 . 1 . . . . A 95 MET C . 34572 1 1136 . 1 . 1 95 95 MET CA C 13 52.399 0.400 . 1 . . . . A 95 MET CA . 34572 1 1137 . 1 . 1 95 95 MET CB C 13 32.848 0.400 . 1 . . . . A 95 MET CB . 34572 1 1138 . 1 . 1 95 95 MET CG C 13 31.051 0.400 . 1 . . . . A 95 MET CG . 34572 1 1139 . 1 . 1 95 95 MET CE C 13 16.104 0.400 . 1 . . . . A 95 MET CE . 34572 1 1140 . 1 . 1 95 95 MET N N 15 124.305 0.400 . 1 . . . . A 95 MET N . 34572 1 1141 . 1 . 1 96 96 ILE H H 1 8.903 0.020 . 1 . . . . A 96 ILE H . 34572 1 1142 . 1 . 1 96 96 ILE HA H 1 4.457 0.020 . 1 . . . . A 96 ILE HA . 34572 1 1143 . 1 . 1 96 96 ILE HB H 1 1.513 0.020 . 1 . . . . A 96 ILE HB . 34572 1 1144 . 1 . 1 96 96 ILE HG12 H 1 1.792 0.020 . 2 . . . . A 96 ILE HG12 . 34572 1 1145 . 1 . 1 96 96 ILE HG13 H 1 1.026 0.020 . 2 . . . . A 96 ILE HG13 . 34572 1 1146 . 1 . 1 96 96 ILE HG21 H 1 0.576 0.020 . 1 . . . . A 96 ILE HG21 . 34572 1 1147 . 1 . 1 96 96 ILE HG22 H 1 0.576 0.020 . 1 . . . . A 96 ILE HG22 . 34572 1 1148 . 1 . 1 96 96 ILE HG23 H 1 0.576 0.020 . 1 . . . . A 96 ILE HG23 . 34572 1 1149 . 1 . 1 96 96 ILE HD11 H 1 0.594 0.020 . 1 . . . . A 96 ILE HD11 . 34572 1 1150 . 1 . 1 96 96 ILE HD12 H 1 0.594 0.020 . 1 . . . . A 96 ILE HD12 . 34572 1 1151 . 1 . 1 96 96 ILE HD13 H 1 0.594 0.020 . 1 . . . . A 96 ILE HD13 . 34572 1 1152 . 1 . 1 96 96 ILE C C 13 173.973 0.400 . 1 . . . . A 96 ILE C . 34572 1 1153 . 1 . 1 96 96 ILE CA C 13 57.650 0.400 . 1 . . . . A 96 ILE CA . 34572 1 1154 . 1 . 1 96 96 ILE CB C 13 40.715 0.400 . 1 . . . . A 96 ILE CB . 34572 1 1155 . 1 . 1 96 96 ILE CG1 C 13 26.780 0.400 . 1 . . . . A 96 ILE CG1 . 34572 1 1156 . 1 . 1 96 96 ILE CG2 C 13 16.054 0.400 . 1 . . . . A 96 ILE CG2 . 34572 1 1157 . 1 . 1 96 96 ILE CD1 C 13 15.375 0.400 . 1 . . . . A 96 ILE CD1 . 34572 1 1158 . 1 . 1 96 96 ILE N N 15 123.611 0.400 . 1 . . . . A 96 ILE N . 34572 1 1159 . 1 . 1 97 97 PRO HA H 1 4.473 0.020 . 1 . . . . A 97 PRO HA . 34572 1 1160 . 1 . 1 97 97 PRO HB2 H 1 2.088 0.020 . 2 . . . . A 97 PRO HB2 . 34572 1 1161 . 1 . 1 97 97 PRO HB3 H 1 1.854 0.020 . 2 . . . . A 97 PRO HB3 . 34572 1 1162 . 1 . 1 97 97 PRO HG2 H 1 1.969 0.020 . 2 . . . . A 97 PRO HG2 . 34572 1 1163 . 1 . 1 97 97 PRO HG3 H 1 1.933 0.020 . 2 . . . . A 97 PRO HG3 . 34572 1 1164 . 1 . 1 97 97 PRO HD2 H 1 3.037 0.020 . 2 . . . . A 97 PRO HD2 . 34572 1 1165 . 1 . 1 97 97 PRO HD3 H 1 3.630 0.020 . 2 . . . . A 97 PRO HD3 . 34572 1 1166 . 1 . 1 97 97 PRO C C 13 175.237 0.400 . 1 . . . . A 97 PRO C . 34572 1 1167 . 1 . 1 97 97 PRO CA C 13 61.926 0.400 . 1 . . . . A 97 PRO CA . 34572 1 1168 . 1 . 1 97 97 PRO CB C 13 30.517 0.400 . 1 . . . . A 97 PRO CB . 34572 1 1169 . 1 . 1 97 97 PRO CG C 13 27.035 0.400 . 1 . . . . A 97 PRO CG . 34572 1 1170 . 1 . 1 97 97 PRO CD C 13 49.091 0.400 . 1 . . . . A 97 PRO CD . 34572 1 1171 . 1 . 1 98 98 THR H H 1 7.394 0.020 . 1 . . . . A 98 THR H . 34572 1 1172 . 1 . 1 98 98 THR HA H 1 4.874 0.020 . 1 . . . . A 98 THR HA . 34572 1 1173 . 1 . 1 98 98 THR HB H 1 4.416 0.020 . 1 . . . . A 98 THR HB . 34572 1 1174 . 1 . 1 98 98 THR HG1 H 1 5.853 0.020 . 1 . . . . A 98 THR HG1 . 34572 1 1175 . 1 . 1 98 98 THR HG21 H 1 1.177 0.020 . 1 . . . . A 98 THR HG21 . 34572 1 1176 . 1 . 1 98 98 THR HG22 H 1 1.177 0.020 . 1 . . . . A 98 THR HG22 . 34572 1 1177 . 1 . 1 98 98 THR HG23 H 1 1.177 0.020 . 1 . . . . A 98 THR HG23 . 34572 1 1178 . 1 . 1 98 98 THR C C 13 175.987 0.400 . 1 . . . . A 98 THR C . 34572 1 1179 . 1 . 1 98 98 THR CA C 13 59.980 0.400 . 1 . . . . A 98 THR CA . 34572 1 1180 . 1 . 1 98 98 THR CB C 13 73.180 0.400 . 1 . . . . A 98 THR CB . 34572 1 1181 . 1 . 1 98 98 THR CG2 C 13 20.967 0.400 . 1 . . . . A 98 THR CG2 . 34572 1 1182 . 1 . 1 98 98 THR N N 15 112.951 0.400 . 1 . . . . A 98 THR N . 34572 1 1183 . 1 . 1 99 99 SER HA H 1 4.252 0.020 . 1 . . . . A 99 SER HA . 34572 1 1184 . 1 . 1 99 99 SER HB2 H 1 4.019 0.020 . 2 . . . . A 99 SER HB2 . 34572 1 1185 . 1 . 1 99 99 SER HB3 H 1 3.953 0.020 . 2 . . . . A 99 SER HB3 . 34572 1 1186 . 1 . 1 99 99 SER C C 13 174.618 0.400 . 1 . . . . A 99 SER C . 34572 1 1187 . 1 . 1 99 99 SER CA C 13 60.248 0.400 . 1 . . . . A 99 SER CA . 34572 1 1188 . 1 . 1 99 99 SER CB C 13 62.128 0.400 . 1 . . . . A 99 SER CB . 34572 1 1189 . 1 . 1 100 100 ARG H H 1 8.053 0.020 . 1 . . . . A 100 ARG H . 34572 1 1190 . 1 . 1 100 100 ARG HA H 1 4.510 0.020 . 1 . . . . A 100 ARG HA . 34572 1 1191 . 1 . 1 100 100 ARG HB2 H 1 2.003 0.020 . 2 . . . . A 100 ARG HB2 . 34572 1 1192 . 1 . 1 100 100 ARG HB3 H 1 1.577 0.020 . 2 . . . . A 100 ARG HB3 . 34572 1 1193 . 1 . 1 100 100 ARG HG2 H 1 1.579 0.020 . 2 . . . . A 100 ARG HG2 . 34572 1 1194 . 1 . 1 100 100 ARG HG3 H 1 1.579 0.020 . 2 . . . . A 100 ARG HG3 . 34572 1 1195 . 1 . 1 100 100 ARG HD2 H 1 3.162 0.020 . 2 . . . . A 100 ARG HD2 . 34572 1 1196 . 1 . 1 100 100 ARG HD3 H 1 3.162 0.020 . 2 . . . . A 100 ARG HD3 . 34572 1 1197 . 1 . 1 100 100 ARG C C 13 175.039 0.400 . 1 . . . . A 100 ARG C . 34572 1 1198 . 1 . 1 100 100 ARG CA C 13 54.929 0.400 . 1 . . . . A 100 ARG CA . 34572 1 1199 . 1 . 1 100 100 ARG CB C 13 29.802 0.400 . 1 . . . . A 100 ARG CB . 34572 1 1200 . 1 . 1 100 100 ARG CG C 13 26.783 0.400 . 1 . . . . A 100 ARG CG . 34572 1 1201 . 1 . 1 100 100 ARG CD C 13 42.744 0.400 . 1 . . . . A 100 ARG CD . 34572 1 1202 . 1 . 1 100 100 ARG N N 15 119.683 0.400 . 1 . . . . A 100 ARG N . 34572 1 1203 . 1 . 1 101 101 GLY H H 1 7.463 0.020 . 1 . . . . A 101 GLY H . 34572 1 1204 . 1 . 1 101 101 GLY HA2 H 1 4.583 0.020 . 2 . . . . A 101 GLY HA2 . 34572 1 1205 . 1 . 1 101 101 GLY HA3 H 1 3.932 0.020 . 2 . . . . A 101 GLY HA3 . 34572 1 1206 . 1 . 1 101 101 GLY C C 13 171.800 0.400 . 1 . . . . A 101 GLY C . 34572 1 1207 . 1 . 1 101 101 GLY CA C 13 43.232 0.400 . 1 . . . . A 101 GLY CA . 34572 1 1208 . 1 . 1 101 101 GLY N N 15 108.868 0.400 . 1 . . . . A 101 GLY N . 34572 1 1209 . 1 . 1 102 102 PRO HA H 1 4.680 0.020 . 1 . . . . A 102 PRO HA . 34572 1 1210 . 1 . 1 102 102 PRO HB2 H 1 2.143 0.020 . 2 . . . . A 102 PRO HB2 . 34572 1 1211 . 1 . 1 102 102 PRO HB3 H 1 1.872 0.020 . 2 . . . . A 102 PRO HB3 . 34572 1 1212 . 1 . 1 102 102 PRO HG2 H 1 2.118 0.020 . 2 . . . . A 102 PRO HG2 . 34572 1 1213 . 1 . 1 102 102 PRO HG3 H 1 1.985 0.020 . 2 . . . . A 102 PRO HG3 . 34572 1 1214 . 1 . 1 102 102 PRO HD2 H 1 3.639 0.020 . 2 . . . . A 102 PRO HD2 . 34572 1 1215 . 1 . 1 102 102 PRO HD3 H 1 3.599 0.020 . 2 . . . . A 102 PRO HD3 . 34572 1 1216 . 1 . 1 102 102 PRO C C 13 176.948 0.400 . 1 . . . . A 102 PRO C . 34572 1 1217 . 1 . 1 102 102 PRO CA C 13 62.794 0.400 . 1 . . . . A 102 PRO CA . 34572 1 1218 . 1 . 1 102 102 PRO CB C 13 30.975 0.400 . 1 . . . . A 102 PRO CB . 34572 1 1219 . 1 . 1 102 102 PRO CG C 13 26.934 0.400 . 1 . . . . A 102 PRO CG . 34572 1 1220 . 1 . 1 102 102 PRO CD C 13 49.155 0.400 . 1 . . . . A 102 PRO CD . 34572 1 1221 . 1 . 1 103 103 THR H H 1 9.146 0.020 . 1 . . . . A 103 THR H . 34572 1 1222 . 1 . 1 103 103 THR HA H 1 4.514 0.020 . 1 . . . . A 103 THR HA . 34572 1 1223 . 1 . 1 103 103 THR HB H 1 3.900 0.020 . 1 . . . . A 103 THR HB . 34572 1 1224 . 1 . 1 103 103 THR HG21 H 1 1.095 0.020 . 1 . . . . A 103 THR HG21 . 34572 1 1225 . 1 . 1 103 103 THR HG22 H 1 1.095 0.020 . 1 . . . . A 103 THR HG22 . 34572 1 1226 . 1 . 1 103 103 THR HG23 H 1 1.095 0.020 . 1 . . . . A 103 THR HG23 . 34572 1 1227 . 1 . 1 103 103 THR C C 13 171.813 0.400 . 1 . . . . A 103 THR C . 34572 1 1228 . 1 . 1 103 103 THR CA C 13 61.372 0.400 . 1 . . . . A 103 THR CA . 34572 1 1229 . 1 . 1 103 103 THR CB C 13 70.917 0.400 . 1 . . . . A 103 THR CB . 34572 1 1230 . 1 . 1 103 103 THR CG2 C 13 19.384 0.400 . 1 . . . . A 103 THR CG2 . 34572 1 1231 . 1 . 1 103 103 THR N N 15 122.384 0.400 . 1 . . . . A 103 THR N . 34572 1 1232 . 1 . 1 104 104 LYS H H 1 8.794 0.020 . 1 . . . . A 104 LYS H . 34572 1 1233 . 1 . 1 104 104 LYS HA H 1 4.915 0.020 . 1 . . . . A 104 LYS HA . 34572 1 1234 . 1 . 1 104 104 LYS HB2 H 1 1.846 0.020 . 2 . . . . A 104 LYS HB2 . 34572 1 1235 . 1 . 1 104 104 LYS HB3 H 1 1.666 0.020 . 2 . . . . A 104 LYS HB3 . 34572 1 1236 . 1 . 1 104 104 LYS HG2 H 1 1.476 0.020 . 2 . . . . A 104 LYS HG2 . 34572 1 1237 . 1 . 1 104 104 LYS HG3 H 1 1.374 0.020 . 2 . . . . A 104 LYS HG3 . 34572 1 1238 . 1 . 1 104 104 LYS HD2 H 1 1.671 0.020 . 2 . . . . A 104 LYS HD2 . 34572 1 1239 . 1 . 1 104 104 LYS HD3 H 1 1.671 0.020 . 2 . . . . A 104 LYS HD3 . 34572 1 1240 . 1 . 1 104 104 LYS HE2 H 1 2.916 0.020 . 2 . . . . A 104 LYS HE2 . 34572 1 1241 . 1 . 1 104 104 LYS HE3 H 1 2.916 0.020 . 2 . . . . A 104 LYS HE3 . 34572 1 1242 . 1 . 1 104 104 LYS C C 13 175.948 0.400 . 1 . . . . A 104 LYS C . 34572 1 1243 . 1 . 1 104 104 LYS CA C 13 56.490 0.400 . 1 . . . . A 104 LYS CA . 34572 1 1244 . 1 . 1 104 104 LYS CB C 13 32.322 0.400 . 1 . . . . A 104 LYS CB . 34572 1 1245 . 1 . 1 104 104 LYS CG C 13 24.770 0.400 . 1 . . . . A 104 LYS CG . 34572 1 1246 . 1 . 1 104 104 LYS CD C 13 28.773 0.400 . 1 . . . . A 104 LYS CD . 34572 1 1247 . 1 . 1 104 104 LYS CE C 13 41.434 0.400 . 1 . . . . A 104 LYS CE . 34572 1 1248 . 1 . 1 104 104 LYS N N 15 130.546 0.400 . 1 . . . . A 104 LYS N . 34572 1 1249 . 1 . 1 105 105 VAL H H 1 9.309 0.020 . 1 . . . . A 105 VAL H . 34572 1 1250 . 1 . 1 105 105 VAL HA H 1 5.265 0.020 . 1 . . . . A 105 VAL HA . 34572 1 1251 . 1 . 1 105 105 VAL HB H 1 2.180 0.020 . 1 . . . . A 105 VAL HB . 34572 1 1252 . 1 . 1 105 105 VAL HG11 H 1 0.706 0.020 . 2 . . . . A 105 VAL HG11 . 34572 1 1253 . 1 . 1 105 105 VAL HG12 H 1 0.706 0.020 . 2 . . . . A 105 VAL HG12 . 34572 1 1254 . 1 . 1 105 105 VAL HG13 H 1 0.706 0.020 . 2 . . . . A 105 VAL HG13 . 34572 1 1255 . 1 . 1 105 105 VAL HG21 H 1 0.910 0.020 . 2 . . . . A 105 VAL HG21 . 34572 1 1256 . 1 . 1 105 105 VAL HG22 H 1 0.910 0.020 . 2 . . . . A 105 VAL HG22 . 34572 1 1257 . 1 . 1 105 105 VAL HG23 H 1 0.910 0.020 . 2 . . . . A 105 VAL HG23 . 34572 1 1258 . 1 . 1 105 105 VAL C C 13 173.802 0.400 . 1 . . . . A 105 VAL C . 34572 1 1259 . 1 . 1 105 105 VAL CA C 13 58.387 0.400 . 1 . . . . A 105 VAL CA . 34572 1 1260 . 1 . 1 105 105 VAL CB C 13 35.281 0.400 . 1 . . . . A 105 VAL CB . 34572 1 1261 . 1 . 1 105 105 VAL CG1 C 13 20.238 0.400 . 2 . . . . A 105 VAL CG1 . 34572 1 1262 . 1 . 1 105 105 VAL CG2 C 13 18.231 0.400 . 2 . . . . A 105 VAL CG2 . 34572 1 1263 . 1 . 1 105 105 VAL N N 15 120.138 0.400 . 1 . . . . A 105 VAL N . 34572 1 1264 . 1 . 1 106 106 LYS H H 1 9.070 0.020 . 1 . . . . A 106 LYS H . 34572 1 1265 . 1 . 1 106 106 LYS HA H 1 4.758 0.020 . 1 . . . . A 106 LYS HA . 34572 1 1266 . 1 . 1 106 106 LYS HB2 H 1 1.652 0.020 . 2 . . . . A 106 LYS HB2 . 34572 1 1267 . 1 . 1 106 106 LYS HB3 H 1 1.405 0.020 . 2 . . . . A 106 LYS HB3 . 34572 1 1268 . 1 . 1 106 106 LYS HG2 H 1 1.334 0.020 . 2 . . . . A 106 LYS HG2 . 34572 1 1269 . 1 . 1 106 106 LYS HG3 H 1 1.334 0.020 . 2 . . . . A 106 LYS HG3 . 34572 1 1270 . 1 . 1 106 106 LYS HD2 H 1 1.620 0.020 . 2 . . . . A 106 LYS HD2 . 34572 1 1271 . 1 . 1 106 106 LYS HD3 H 1 1.620 0.020 . 2 . . . . A 106 LYS HD3 . 34572 1 1272 . 1 . 1 106 106 LYS HE2 H 1 2.899 0.020 . 2 . . . . A 106 LYS HE2 . 34572 1 1273 . 1 . 1 106 106 LYS HE3 H 1 2.899 0.020 . 2 . . . . A 106 LYS HE3 . 34572 1 1274 . 1 . 1 106 106 LYS C C 13 173.486 0.400 . 1 . . . . A 106 LYS C . 34572 1 1275 . 1 . 1 106 106 LYS CA C 13 54.507 0.400 . 1 . . . . A 106 LYS CA . 34572 1 1276 . 1 . 1 106 106 LYS CB C 13 34.170 0.400 . 1 . . . . A 106 LYS CB . 34572 1 1277 . 1 . 1 106 106 LYS CG C 13 24.768 0.400 . 1 . . . . A 106 LYS CG . 34572 1 1278 . 1 . 1 106 106 LYS CD C 13 28.882 0.400 . 1 . . . . A 106 LYS CD . 34572 1 1279 . 1 . 1 106 106 LYS CE C 13 41.443 0.400 . 1 . . . . A 106 LYS CE . 34572 1 1280 . 1 . 1 106 106 LYS N N 15 120.730 0.400 . 1 . . . . A 106 LYS N . 34572 1 1281 . 1 . 1 107 107 VAL H H 1 8.969 0.020 . 1 . . . . A 107 VAL H . 34572 1 1282 . 1 . 1 107 107 VAL HA H 1 5.081 0.020 . 1 . . . . A 107 VAL HA . 34572 1 1283 . 1 . 1 107 107 VAL HB H 1 0.386 0.020 . 1 . . . . A 107 VAL HB . 34572 1 1284 . 1 . 1 107 107 VAL HG11 H 1 0.370 0.020 . 2 . . . . A 107 VAL HG11 . 34572 1 1285 . 1 . 1 107 107 VAL HG12 H 1 0.370 0.020 . 2 . . . . A 107 VAL HG12 . 34572 1 1286 . 1 . 1 107 107 VAL HG13 H 1 0.370 0.020 . 2 . . . . A 107 VAL HG13 . 34572 1 1287 . 1 . 1 107 107 VAL HG21 H 1 0.568 0.020 . 2 . . . . A 107 VAL HG21 . 34572 1 1288 . 1 . 1 107 107 VAL HG22 H 1 0.568 0.020 . 2 . . . . A 107 VAL HG22 . 34572 1 1289 . 1 . 1 107 107 VAL HG23 H 1 0.568 0.020 . 2 . . . . A 107 VAL HG23 . 34572 1 1290 . 1 . 1 107 107 VAL C C 13 173.815 0.400 . 1 . . . . A 107 VAL C . 34572 1 1291 . 1 . 1 107 107 VAL CA C 13 59.522 0.400 . 1 . . . . A 107 VAL CA . 34572 1 1292 . 1 . 1 107 107 VAL CB C 13 32.384 0.400 . 1 . . . . A 107 VAL CB . 34572 1 1293 . 1 . 1 107 107 VAL CG1 C 13 21.963 0.400 . 2 . . . . A 107 VAL CG1 . 34572 1 1294 . 1 . 1 107 107 VAL CG2 C 13 21.859 0.400 . 2 . . . . A 107 VAL CG2 . 34572 1 1295 . 1 . 1 107 107 VAL N N 15 123.657 0.400 . 1 . . . . A 107 VAL N . 34572 1 1296 . 1 . 1 108 108 HIS H H 1 9.533 0.020 . 1 . . . . A 108 HIS H . 34572 1 1297 . 1 . 1 108 108 HIS HA H 1 5.753 0.020 . 1 . . . . A 108 HIS HA . 34572 1 1298 . 1 . 1 108 108 HIS HB2 H 1 3.113 0.020 . 2 . . . . A 108 HIS HB2 . 34572 1 1299 . 1 . 1 108 108 HIS HB3 H 1 2.580 0.020 . 2 . . . . A 108 HIS HB3 . 34572 1 1300 . 1 . 1 108 108 HIS HD2 H 1 7.099 0.020 . 1 . . . . A 108 HIS HD2 . 34572 1 1301 . 1 . 1 108 108 HIS HE1 H 1 7.670 0.020 . 1 . . . . A 108 HIS HE1 . 34572 1 1302 . 1 . 1 108 108 HIS C C 13 174.131 0.400 . 1 . . . . A 108 HIS C . 34572 1 1303 . 1 . 1 108 108 HIS CA C 13 51.408 0.400 . 1 . . . . A 108 HIS CA . 34572 1 1304 . 1 . 1 108 108 HIS CB C 13 35.824 0.400 . 1 . . . . A 108 HIS CB . 34572 1 1305 . 1 . 1 108 108 HIS CD2 C 13 116.443 0.400 . 1 . . . . A 108 HIS CD2 . 34572 1 1306 . 1 . 1 108 108 HIS CE1 C 13 136.926 0.400 . 1 . . . . A 108 HIS CE1 . 34572 1 1307 . 1 . 1 108 108 HIS N N 15 126.423 0.400 . 1 . . . . A 108 HIS N . 34572 1 1308 . 1 . 1 109 109 MET H H 1 9.261 0.020 . 1 . . . . A 109 MET H . 34572 1 1309 . 1 . 1 109 109 MET HA H 1 5.733 0.020 . 1 . . . . A 109 MET HA . 34572 1 1310 . 1 . 1 109 109 MET HB2 H 1 2.165 0.020 . 2 . . . . A 109 MET HB2 . 34572 1 1311 . 1 . 1 109 109 MET HB3 H 1 2.020 0.020 . 2 . . . . A 109 MET HB3 . 34572 1 1312 . 1 . 1 109 109 MET HG2 H 1 2.643 0.020 . 2 . . . . A 109 MET HG2 . 34572 1 1313 . 1 . 1 109 109 MET HG3 H 1 2.500 0.020 . 2 . . . . A 109 MET HG3 . 34572 1 1314 . 1 . 1 109 109 MET HE1 H 1 2.199 0.020 . 1 . . . . A 109 MET HE1 . 34572 1 1315 . 1 . 1 109 109 MET HE2 H 1 2.199 0.020 . 1 . . . . A 109 MET HE2 . 34572 1 1316 . 1 . 1 109 109 MET HE3 H 1 2.199 0.020 . 1 . . . . A 109 MET HE3 . 34572 1 1317 . 1 . 1 109 109 MET C C 13 174.078 0.400 . 1 . . . . A 109 MET C . 34572 1 1318 . 1 . 1 109 109 MET CA C 13 53.369 0.400 . 1 . . . . A 109 MET CA . 34572 1 1319 . 1 . 1 109 109 MET CB C 13 36.162 0.400 . 1 . . . . A 109 MET CB . 34572 1 1320 . 1 . 1 109 109 MET CG C 13 32.428 0.400 . 1 . . . . A 109 MET CG . 34572 1 1321 . 1 . 1 109 109 MET CE C 13 16.975 0.400 . 1 . . . . A 109 MET CE . 34572 1 1322 . 1 . 1 109 109 MET N N 15 124.262 0.400 . 1 . . . . A 109 MET N . 34572 1 1323 . 1 . 1 110 110 LYS H H 1 8.964 0.020 . 1 . . . . A 110 LYS H . 34572 1 1324 . 1 . 1 110 110 LYS HA H 1 4.964 0.020 . 1 . . . . A 110 LYS HA . 34572 1 1325 . 1 . 1 110 110 LYS HB2 H 1 1.520 0.020 . 2 . . . . A 110 LYS HB2 . 34572 1 1326 . 1 . 1 110 110 LYS HB3 H 1 1.101 0.020 . 2 . . . . A 110 LYS HB3 . 34572 1 1327 . 1 . 1 110 110 LYS HG2 H 1 1.744 0.020 . 2 . . . . A 110 LYS HG2 . 34572 1 1328 . 1 . 1 110 110 LYS HG3 H 1 1.577 0.020 . 2 . . . . A 110 LYS HG3 . 34572 1 1329 . 1 . 1 110 110 LYS HD2 H 1 1.830 0.020 . 2 . . . . A 110 LYS HD2 . 34572 1 1330 . 1 . 1 110 110 LYS HD3 H 1 1.515 0.020 . 2 . . . . A 110 LYS HD3 . 34572 1 1331 . 1 . 1 110 110 LYS HE2 H 1 2.991 0.020 . 2 . . . . A 110 LYS HE2 . 34572 1 1332 . 1 . 1 110 110 LYS HE3 H 1 2.991 0.020 . 2 . . . . A 110 LYS HE3 . 34572 1 1333 . 1 . 1 110 110 LYS C C 13 174.394 0.400 . 1 . . . . A 110 LYS C . 34572 1 1334 . 1 . 1 110 110 LYS CA C 13 53.925 0.400 . 1 . . . . A 110 LYS CA . 34572 1 1335 . 1 . 1 110 110 LYS CB C 13 37.493 0.400 . 1 . . . . A 110 LYS CB . 34572 1 1336 . 1 . 1 110 110 LYS CG C 13 25.002 0.400 . 1 . . . . A 110 LYS CG . 34572 1 1337 . 1 . 1 110 110 LYS CD C 13 29.184 0.400 . 1 . . . . A 110 LYS CD . 34572 1 1338 . 1 . 1 110 110 LYS CE C 13 41.571 0.400 . 1 . . . . A 110 LYS CE . 34572 1 1339 . 1 . 1 110 110 LYS N N 15 122.193 0.400 . 1 . . . . A 110 LYS N . 34572 1 1340 . 1 . 1 111 111 LYS H H 1 8.003 0.020 . 1 . . . . A 111 LYS H . 34572 1 1341 . 1 . 1 111 111 LYS HA H 1 4.275 0.020 . 1 . . . . A 111 LYS HA . 34572 1 1342 . 1 . 1 111 111 LYS HB2 H 1 1.843 0.020 . 2 . . . . A 111 LYS HB2 . 34572 1 1343 . 1 . 1 111 111 LYS HB3 H 1 2.090 0.020 . 2 . . . . A 111 LYS HB3 . 34572 1 1344 . 1 . 1 111 111 LYS HG2 H 1 1.955 0.020 . 2 . . . . A 111 LYS HG2 . 34572 1 1345 . 1 . 1 111 111 LYS HG3 H 1 1.442 0.020 . 2 . . . . A 111 LYS HG3 . 34572 1 1346 . 1 . 1 111 111 LYS HD2 H 1 1.778 0.020 . 2 . . . . A 111 LYS HD2 . 34572 1 1347 . 1 . 1 111 111 LYS HD3 H 1 1.711 0.020 . 2 . . . . A 111 LYS HD3 . 34572 1 1348 . 1 . 1 111 111 LYS HE2 H 1 3.138 0.020 . 2 . . . . A 111 LYS HE2 . 34572 1 1349 . 1 . 1 111 111 LYS HE3 H 1 3.078 0.020 . 2 . . . . A 111 LYS HE3 . 34572 1 1350 . 1 . 1 111 111 LYS C C 13 173.960 0.400 . 1 . . . . A 111 LYS C . 34572 1 1351 . 1 . 1 111 111 LYS CA C 13 57.415 0.400 . 1 . . . . A 111 LYS CA . 34572 1 1352 . 1 . 1 111 111 LYS CB C 13 32.775 0.400 . 1 . . . . A 111 LYS CB . 34572 1 1353 . 1 . 1 111 111 LYS CG C 13 23.081 0.400 . 1 . . . . A 111 LYS CG . 34572 1 1354 . 1 . 1 111 111 LYS CD C 13 28.979 0.400 . 1 . . . . A 111 LYS CD . 34572 1 1355 . 1 . 1 111 111 LYS CE C 13 41.609 0.400 . 1 . . . . A 111 LYS CE . 34572 1 1356 . 1 . 1 111 111 LYS N N 15 126.422 0.400 . 1 . . . . A 111 LYS N . 34572 1 1357 . 1 . 1 112 112 ALA H H 1 7.956 0.020 . 1 . . . . A 112 ALA H . 34572 1 1358 . 1 . 1 112 112 ALA HA H 1 4.508 0.020 . 1 . . . . A 112 ALA HA . 34572 1 1359 . 1 . 1 112 112 ALA HB1 H 1 1.132 0.020 . 1 . . . . A 112 ALA HB1 . 34572 1 1360 . 1 . 1 112 112 ALA HB2 H 1 1.132 0.020 . 1 . . . . A 112 ALA HB2 . 34572 1 1361 . 1 . 1 112 112 ALA HB3 H 1 1.132 0.020 . 1 . . . . A 112 ALA HB3 . 34572 1 1362 . 1 . 1 112 112 ALA C C 13 177.738 0.400 . 1 . . . . A 112 ALA C . 34572 1 1363 . 1 . 1 112 112 ALA CA C 13 51.591 0.400 . 1 . . . . A 112 ALA CA . 34572 1 1364 . 1 . 1 112 112 ALA CB C 13 19.243 0.400 . 1 . . . . A 112 ALA CB . 34572 1 1365 . 1 . 1 112 112 ALA N N 15 124.567 0.400 . 1 . . . . A 112 ALA N . 34572 1 1366 . 1 . 1 113 113 LEU H H 1 8.710 0.020 . 1 . . . . A 113 LEU H . 34572 1 1367 . 1 . 1 113 113 LEU HA H 1 4.116 0.020 . 1 . . . . A 113 LEU HA . 34572 1 1368 . 1 . 1 113 113 LEU HB2 H 1 1.778 0.020 . 2 . . . . A 113 LEU HB2 . 34572 1 1369 . 1 . 1 113 113 LEU HB3 H 1 1.486 0.020 . 2 . . . . A 113 LEU HB3 . 34572 1 1370 . 1 . 1 113 113 LEU HG H 1 1.659 0.020 . 1 . . . . A 113 LEU HG . 34572 1 1371 . 1 . 1 113 113 LEU HD11 H 1 1.004 0.020 . 2 . . . . A 113 LEU HD11 . 34572 1 1372 . 1 . 1 113 113 LEU HD12 H 1 1.004 0.020 . 2 . . . . A 113 LEU HD12 . 34572 1 1373 . 1 . 1 113 113 LEU HD13 H 1 1.004 0.020 . 2 . . . . A 113 LEU HD13 . 34572 1 1374 . 1 . 1 113 113 LEU HD21 H 1 0.955 0.020 . 2 . . . . A 113 LEU HD21 . 34572 1 1375 . 1 . 1 113 113 LEU HD22 H 1 0.955 0.020 . 2 . . . . A 113 LEU HD22 . 34572 1 1376 . 1 . 1 113 113 LEU HD23 H 1 0.955 0.020 . 2 . . . . A 113 LEU HD23 . 34572 1 1377 . 1 . 1 113 113 LEU C C 13 177.383 0.400 . 1 . . . . A 113 LEU C . 34572 1 1378 . 1 . 1 113 113 LEU CA C 13 57.102 0.400 . 1 . . . . A 113 LEU CA . 34572 1 1379 . 1 . 1 113 113 LEU CB C 13 42.069 0.400 . 1 . . . . A 113 LEU CB . 34572 1 1380 . 1 . 1 113 113 LEU CG C 13 26.420 0.400 . 1 . . . . A 113 LEU CG . 34572 1 1381 . 1 . 1 113 113 LEU CD1 C 13 23.593 0.400 . 2 . . . . A 113 LEU CD1 . 34572 1 1382 . 1 . 1 113 113 LEU CD2 C 13 24.860 0.400 . 2 . . . . A 113 LEU CD2 . 34572 1 1383 . 1 . 1 113 113 LEU N N 15 121.276 0.400 . 1 . . . . A 113 LEU N . 34572 1 1384 . 1 . 1 114 114 SER H H 1 7.746 0.020 . 1 . . . . A 114 SER H . 34572 1 1385 . 1 . 1 114 114 SER HA H 1 4.367 0.020 . 1 . . . . A 114 SER HA . 34572 1 1386 . 1 . 1 114 114 SER HB2 H 1 3.937 0.020 . 2 . . . . A 114 SER HB2 . 34572 1 1387 . 1 . 1 114 114 SER HB3 H 1 3.821 0.020 . 2 . . . . A 114 SER HB3 . 34572 1 1388 . 1 . 1 114 114 SER HG H 1 4.770 0.020 . 1 . . . . A 114 SER HG . 34572 1 1389 . 1 . 1 114 114 SER C C 13 174.802 0.400 . 1 . . . . A 114 SER C . 34572 1 1390 . 1 . 1 114 114 SER CA C 13 57.771 0.400 . 1 . . . . A 114 SER CA . 34572 1 1391 . 1 . 1 114 114 SER CB C 13 63.159 0.400 . 1 . . . . A 114 SER CB . 34572 1 1392 . 1 . 1 114 114 SER N N 15 109.251 0.400 . 1 . . . . A 114 SER N . 34572 1 1393 . 1 . 1 115 115 GLY H H 1 7.988 0.020 . 1 . . . . A 115 GLY H . 34572 1 1394 . 1 . 1 115 115 GLY HA2 H 1 3.636 0.020 . 2 . . . . A 115 GLY HA2 . 34572 1 1395 . 1 . 1 115 115 GLY HA3 H 1 4.130 0.020 . 2 . . . . A 115 GLY HA3 . 34572 1 1396 . 1 . 1 115 115 GLY C C 13 172.472 0.400 . 1 . . . . A 115 GLY C . 34572 1 1397 . 1 . 1 115 115 GLY CA C 13 45.174 0.400 . 1 . . . . A 115 GLY CA . 34572 1 1398 . 1 . 1 115 115 GLY N N 15 108.289 0.400 . 1 . . . . A 115 GLY N . 34572 1 1399 . 1 . 1 116 116 ASP H H 1 8.140 0.020 . 1 . . . . A 116 ASP H . 34572 1 1400 . 1 . 1 116 116 ASP HA H 1 4.656 0.020 . 1 . . . . A 116 ASP HA . 34572 1 1401 . 1 . 1 116 116 ASP HB2 H 1 2.732 0.020 . 2 . . . . A 116 ASP HB2 . 34572 1 1402 . 1 . 1 116 116 ASP HB3 H 1 2.676 0.020 . 2 . . . . A 116 ASP HB3 . 34572 1 1403 . 1 . 1 116 116 ASP C C 13 173.999 0.400 . 1 . . . . A 116 ASP C . 34572 1 1404 . 1 . 1 116 116 ASP CA C 13 52.532 0.400 . 1 . . . . A 116 ASP CA . 34572 1 1405 . 1 . 1 116 116 ASP CB C 13 39.905 0.400 . 1 . . . . A 116 ASP CB . 34572 1 1406 . 1 . 1 116 116 ASP N N 15 118.221 0.400 . 1 . . . . A 116 ASP N . 34572 1 1407 . 1 . 1 117 117 SER H H 1 7.040 0.020 . 1 . . . . A 117 SER H . 34572 1 1408 . 1 . 1 117 117 SER HA H 1 4.594 0.020 . 1 . . . . A 117 SER HA . 34572 1 1409 . 1 . 1 117 117 SER HB2 H 1 3.451 0.020 . 2 . . . . A 117 SER HB2 . 34572 1 1410 . 1 . 1 117 117 SER HB3 H 1 3.356 0.020 . 2 . . . . A 117 SER HB3 . 34572 1 1411 . 1 . 1 117 117 SER C C 13 171.247 0.400 . 1 . . . . A 117 SER C . 34572 1 1412 . 1 . 1 117 117 SER CA C 13 56.774 0.400 . 1 . . . . A 117 SER CA . 34572 1 1413 . 1 . 1 117 117 SER CB C 13 64.305 0.400 . 1 . . . . A 117 SER CB . 34572 1 1414 . 1 . 1 117 117 SER N N 15 111.285 0.400 . 1 . . . . A 117 SER N . 34572 1 1415 . 1 . 1 118 118 TYR H H 1 8.850 0.020 . 1 . . . . A 118 TYR H . 34572 1 1416 . 1 . 1 118 118 TYR HA H 1 4.512 0.020 . 1 . . . . A 118 TYR HA . 34572 1 1417 . 1 . 1 118 118 TYR HB2 H 1 2.760 0.020 . 2 . . . . A 118 TYR HB2 . 34572 1 1418 . 1 . 1 118 118 TYR HB3 H 1 2.565 0.020 . 2 . . . . A 118 TYR HB3 . 34572 1 1419 . 1 . 1 118 118 TYR HD1 H 1 6.700 0.020 . 1 . . . . A 118 TYR HD1 . 34572 1 1420 . 1 . 1 118 118 TYR HD2 H 1 6.700 0.020 . 1 . . . . A 118 TYR HD2 . 34572 1 1421 . 1 . 1 118 118 TYR HE1 H 1 6.453 0.020 . 1 . . . . A 118 TYR HE1 . 34572 1 1422 . 1 . 1 118 118 TYR HE2 H 1 6.453 0.020 . 1 . . . . A 118 TYR HE2 . 34572 1 1423 . 1 . 1 118 118 TYR C C 13 172.208 0.400 . 1 . . . . A 118 TYR C . 34572 1 1424 . 1 . 1 118 118 TYR CA C 13 57.731 0.400 . 1 . . . . A 118 TYR CA . 34572 1 1425 . 1 . 1 118 118 TYR CB C 13 42.113 0.400 . 1 . . . . A 118 TYR CB . 34572 1 1426 . 1 . 1 118 118 TYR CD1 C 13 133.048 0.400 . 3 . . . . A 118 TYR CD1 . 34572 1 1427 . 1 . 1 118 118 TYR CE1 C 13 116.655 0.400 . 3 . . . . A 118 TYR CE1 . 34572 1 1428 . 1 . 1 118 118 TYR N N 15 116.933 0.400 . 1 . . . . A 118 TYR N . 34572 1 1429 . 1 . 1 119 119 TRP H H 1 9.171 0.020 . 1 . . . . A 119 TRP H . 34572 1 1430 . 1 . 1 119 119 TRP HA H 1 5.160 0.020 . 1 . . . . A 119 TRP HA . 34572 1 1431 . 1 . 1 119 119 TRP HB2 H 1 2.535 0.020 . 2 . . . . A 119 TRP HB2 . 34572 1 1432 . 1 . 1 119 119 TRP HB3 H 1 1.716 0.020 . 2 . . . . A 119 TRP HB3 . 34572 1 1433 . 1 . 1 119 119 TRP HD1 H 1 6.734 0.020 . 1 . . . . A 119 TRP HD1 . 34572 1 1434 . 1 . 1 119 119 TRP HE1 H 1 10.322 0.020 . 1 . . . . A 119 TRP HE1 . 34572 1 1435 . 1 . 1 119 119 TRP HE3 H 1 7.104 0.020 . 1 . . . . A 119 TRP HE3 . 34572 1 1436 . 1 . 1 119 119 TRP HZ2 H 1 7.282 0.020 . 1 . . . . A 119 TRP HZ2 . 34572 1 1437 . 1 . 1 119 119 TRP HZ3 H 1 6.660 0.020 . 1 . . . . A 119 TRP HZ3 . 34572 1 1438 . 1 . 1 119 119 TRP HH2 H 1 7.089 0.020 . 1 . . . . A 119 TRP HH2 . 34572 1 1439 . 1 . 1 119 119 TRP C C 13 175.210 0.400 . 1 . . . . A 119 TRP C . 34572 1 1440 . 1 . 1 119 119 TRP CA C 13 55.135 0.400 . 1 . . . . A 119 TRP CA . 34572 1 1441 . 1 . 1 119 119 TRP CB C 13 32.839 0.400 . 1 . . . . A 119 TRP CB . 34572 1 1442 . 1 . 1 119 119 TRP CD1 C 13 124.217 0.400 . 1 . . . . A 119 TRP CD1 . 34572 1 1443 . 1 . 1 119 119 TRP CE3 C 13 120.929 0.400 . 1 . . . . A 119 TRP CE3 . 34572 1 1444 . 1 . 1 119 119 TRP CZ2 C 13 114.005 0.400 . 1 . . . . A 119 TRP CZ2 . 34572 1 1445 . 1 . 1 119 119 TRP CZ3 C 13 120.770 0.400 . 1 . . . . A 119 TRP CZ3 . 34572 1 1446 . 1 . 1 119 119 TRP CH2 C 13 124.226 0.400 . 1 . . . . A 119 TRP CH2 . 34572 1 1447 . 1 . 1 119 119 TRP N N 15 122.827 0.400 . 1 . . . . A 119 TRP N . 34572 1 1448 . 1 . 1 119 119 TRP NE1 N 15 126.353 0.400 . 1 . . . . A 119 TRP NE1 . 34572 1 1449 . 1 . 1 120 120 VAL H H 1 9.100 0.020 . 1 . . . . A 120 VAL H . 34572 1 1450 . 1 . 1 120 120 VAL HA H 1 4.159 0.020 . 1 . . . . A 120 VAL HA . 34572 1 1451 . 1 . 1 120 120 VAL HB H 1 1.729 0.020 . 1 . . . . A 120 VAL HB . 34572 1 1452 . 1 . 1 120 120 VAL HG11 H 1 0.587 0.020 . 2 . . . . A 120 VAL HG11 . 34572 1 1453 . 1 . 1 120 120 VAL HG12 H 1 0.587 0.020 . 2 . . . . A 120 VAL HG12 . 34572 1 1454 . 1 . 1 120 120 VAL HG13 H 1 0.587 0.020 . 2 . . . . A 120 VAL HG13 . 34572 1 1455 . 1 . 1 120 120 VAL HG21 H 1 0.507 0.020 . 2 . . . . A 120 VAL HG21 . 34572 1 1456 . 1 . 1 120 120 VAL HG22 H 1 0.507 0.020 . 2 . . . . A 120 VAL HG22 . 34572 1 1457 . 1 . 1 120 120 VAL HG23 H 1 0.507 0.020 . 2 . . . . A 120 VAL HG23 . 34572 1 1458 . 1 . 1 120 120 VAL C C 13 173.380 0.400 . 1 . . . . A 120 VAL C . 34572 1 1459 . 1 . 1 120 120 VAL CA C 13 61.381 0.400 . 1 . . . . A 120 VAL CA . 34572 1 1460 . 1 . 1 120 120 VAL CB C 13 32.957 0.400 . 1 . . . . A 120 VAL CB . 34572 1 1461 . 1 . 1 120 120 VAL CG1 C 13 20.892 0.400 . 2 . . . . A 120 VAL CG1 . 34572 1 1462 . 1 . 1 120 120 VAL CG2 C 13 19.748 0.400 . 2 . . . . A 120 VAL CG2 . 34572 1 1463 . 1 . 1 120 120 VAL N N 15 120.680 0.400 . 1 . . . . A 120 VAL N . 34572 1 1464 . 1 . 1 121 121 PHE H H 1 9.506 0.020 . 1 . . . . A 121 PHE H . 34572 1 1465 . 1 . 1 121 121 PHE HA H 1 6.081 0.020 . 1 . . . . A 121 PHE HA . 34572 1 1466 . 1 . 1 121 121 PHE HB2 H 1 3.395 0.020 . 2 . . . . A 121 PHE HB2 . 34572 1 1467 . 1 . 1 121 121 PHE HB3 H 1 3.068 0.020 . 2 . . . . A 121 PHE HB3 . 34572 1 1468 . 1 . 1 121 121 PHE HD1 H 1 7.263 0.020 . 1 . . . . A 121 PHE HD1 . 34572 1 1469 . 1 . 1 121 121 PHE HD2 H 1 7.263 0.020 . 1 . . . . A 121 PHE HD2 . 34572 1 1470 . 1 . 1 121 121 PHE HE1 H 1 6.474 0.020 . 1 . . . . A 121 PHE HE1 . 34572 1 1471 . 1 . 1 121 121 PHE HE2 H 1 6.474 0.020 . 1 . . . . A 121 PHE HE2 . 34572 1 1472 . 1 . 1 121 121 PHE HZ H 1 5.878 0.020 . 1 . . . . A 121 PHE HZ . 34572 1 1473 . 1 . 1 121 121 PHE C C 13 175.645 0.400 . 1 . . . . A 121 PHE C . 34572 1 1474 . 1 . 1 121 121 PHE CA C 13 54.586 0.400 . 1 . . . . A 121 PHE CA . 34572 1 1475 . 1 . 1 121 121 PHE CB C 13 41.070 0.400 . 1 . . . . A 121 PHE CB . 34572 1 1476 . 1 . 1 121 121 PHE CD1 C 13 131.336 0.400 . 3 . . . . A 121 PHE CD1 . 34572 1 1477 . 1 . 1 121 121 PHE CE1 C 13 130.077 0.400 . 3 . . . . A 121 PHE CE1 . 34572 1 1478 . 1 . 1 121 121 PHE CZ C 13 128.923 0.400 . 1 . . . . A 121 PHE CZ . 34572 1 1479 . 1 . 1 121 121 PHE N N 15 125.450 0.400 . 1 . . . . A 121 PHE N . 34572 1 1480 . 1 . 1 122 122 VAL H H 1 8.992 0.020 . 1 . . . . A 122 VAL H . 34572 1 1481 . 1 . 1 122 122 VAL HA H 1 5.193 0.020 . 1 . . . . A 122 VAL HA . 34572 1 1482 . 1 . 1 122 122 VAL HB H 1 2.646 0.020 . 1 . . . . A 122 VAL HB . 34572 1 1483 . 1 . 1 122 122 VAL HG11 H 1 0.924 0.020 . 2 . . . . A 122 VAL HG11 . 34572 1 1484 . 1 . 1 122 122 VAL HG12 H 1 0.924 0.020 . 2 . . . . A 122 VAL HG12 . 34572 1 1485 . 1 . 1 122 122 VAL HG13 H 1 0.924 0.020 . 2 . . . . A 122 VAL HG13 . 34572 1 1486 . 1 . 1 122 122 VAL HG21 H 1 0.967 0.020 . 2 . . . . A 122 VAL HG21 . 34572 1 1487 . 1 . 1 122 122 VAL HG22 H 1 0.967 0.020 . 2 . . . . A 122 VAL HG22 . 34572 1 1488 . 1 . 1 122 122 VAL HG23 H 1 0.967 0.020 . 2 . . . . A 122 VAL HG23 . 34572 1 1489 . 1 . 1 122 122 VAL C C 13 173.644 0.400 . 1 . . . . A 122 VAL C . 34572 1 1490 . 1 . 1 122 122 VAL CA C 13 60.882 0.400 . 1 . . . . A 122 VAL CA . 34572 1 1491 . 1 . 1 122 122 VAL CB C 13 35.026 0.400 . 1 . . . . A 122 VAL CB . 34572 1 1492 . 1 . 1 122 122 VAL CG1 C 13 21.439 0.400 . 2 . . . . A 122 VAL CG1 . 34572 1 1493 . 1 . 1 122 122 VAL CG2 C 13 20.782 0.400 . 2 . . . . A 122 VAL CG2 . 34572 1 1494 . 1 . 1 122 122 VAL N N 15 123.251 0.400 . 1 . . . . A 122 VAL N . 34572 1 1495 . 1 . 1 123 123 LYS H H 1 8.629 0.020 . 1 . . . . A 123 LYS H . 34572 1 1496 . 1 . 1 123 123 LYS HA H 1 4.877 0.020 . 1 . . . . A 123 LYS HA . 34572 1 1497 . 1 . 1 123 123 LYS HB2 H 1 0.789 0.020 . 2 . . . . A 123 LYS HB2 . 34572 1 1498 . 1 . 1 123 123 LYS HB3 H 1 0.789 0.020 . 2 . . . . A 123 LYS HB3 . 34572 1 1499 . 1 . 1 123 123 LYS HG2 H 1 1.007 0.020 . 2 . . . . A 123 LYS HG2 . 34572 1 1500 . 1 . 1 123 123 LYS HG3 H 1 0.782 0.020 . 2 . . . . A 123 LYS HG3 . 34572 1 1501 . 1 . 1 123 123 LYS HD2 H 1 0.850 0.020 . 2 . . . . A 123 LYS HD2 . 34572 1 1502 . 1 . 1 123 123 LYS HD3 H 1 1.062 0.020 . 2 . . . . A 123 LYS HD3 . 34572 1 1503 . 1 . 1 123 123 LYS HE2 H 1 2.695 0.020 . 2 . . . . A 123 LYS HE2 . 34572 1 1504 . 1 . 1 123 123 LYS HE3 H 1 2.662 0.020 . 2 . . . . A 123 LYS HE3 . 34572 1 1505 . 1 . 1 123 123 LYS C C 13 175.224 0.400 . 1 . . . . A 123 LYS C . 34572 1 1506 . 1 . 1 123 123 LYS CA C 13 53.295 0.400 . 1 . . . . A 123 LYS CA . 34572 1 1507 . 1 . 1 123 123 LYS CB C 13 35.257 0.400 . 1 . . . . A 123 LYS CB . 34572 1 1508 . 1 . 1 123 123 LYS CG C 13 23.569 0.400 . 1 . . . . A 123 LYS CG . 34572 1 1509 . 1 . 1 123 123 LYS CD C 13 29.375 0.400 . 1 . . . . A 123 LYS CD . 34572 1 1510 . 1 . 1 123 123 LYS CE C 13 41.402 0.400 . 1 . . . . A 123 LYS CE . 34572 1 1511 . 1 . 1 123 123 LYS N N 15 124.630 0.400 . 1 . . . . A 123 LYS N . 34572 1 1512 . 1 . 1 124 124 ARG H H 1 9.040 0.020 . 1 . . . . A 124 ARG H . 34572 1 1513 . 1 . 1 124 124 ARG HA H 1 4.267 0.020 . 1 . . . . A 124 ARG HA . 34572 1 1514 . 1 . 1 124 124 ARG HB2 H 1 1.640 0.020 . 2 . . . . A 124 ARG HB2 . 34572 1 1515 . 1 . 1 124 124 ARG HB3 H 1 1.849 0.020 . 2 . . . . A 124 ARG HB3 . 34572 1 1516 . 1 . 1 124 124 ARG HG2 H 1 1.699 0.020 . 2 . . . . A 124 ARG HG2 . 34572 1 1517 . 1 . 1 124 124 ARG HG3 H 1 1.436 0.020 . 2 . . . . A 124 ARG HG3 . 34572 1 1518 . 1 . 1 124 124 ARG HD2 H 1 3.251 0.020 . 2 . . . . A 124 ARG HD2 . 34572 1 1519 . 1 . 1 124 124 ARG HD3 H 1 3.187 0.020 . 2 . . . . A 124 ARG HD3 . 34572 1 1520 . 1 . 1 124 124 ARG C C 13 176.158 0.400 . 1 . . . . A 124 ARG C . 34572 1 1521 . 1 . 1 124 124 ARG CA C 13 57.465 0.400 . 1 . . . . A 124 ARG CA . 34572 1 1522 . 1 . 1 124 124 ARG CB C 13 30.312 0.400 . 1 . . . . A 124 ARG CB . 34572 1 1523 . 1 . 1 124 124 ARG CG C 13 28.015 0.400 . 1 . . . . A 124 ARG CG . 34572 1 1524 . 1 . 1 124 124 ARG CD C 13 43.083 0.400 . 1 . . . . A 124 ARG CD . 34572 1 1525 . 1 . 1 124 124 ARG N N 15 124.029 0.400 . 1 . . . . A 124 ARG N . 34572 1 1526 . 1 . 1 125 125 VAL H H 1 7.906 0.020 . 1 . . . . A 125 VAL H . 34572 1 1527 . 1 . 1 125 125 VAL HA H 1 3.999 0.020 . 1 . . . . A 125 VAL HA . 34572 1 1528 . 1 . 1 125 125 VAL HB H 1 1.767 0.020 . 1 . . . . A 125 VAL HB . 34572 1 1529 . 1 . 1 125 125 VAL HG11 H 1 0.876 0.020 . 2 . . . . A 125 VAL HG11 . 34572 1 1530 . 1 . 1 125 125 VAL HG12 H 1 0.876 0.020 . 2 . . . . A 125 VAL HG12 . 34572 1 1531 . 1 . 1 125 125 VAL HG13 H 1 0.876 0.020 . 2 . . . . A 125 VAL HG13 . 34572 1 1532 . 1 . 1 125 125 VAL HG21 H 1 0.833 0.020 . 2 . . . . A 125 VAL HG21 . 34572 1 1533 . 1 . 1 125 125 VAL HG22 H 1 0.833 0.020 . 2 . . . . A 125 VAL HG22 . 34572 1 1534 . 1 . 1 125 125 VAL HG23 H 1 0.833 0.020 . 2 . . . . A 125 VAL HG23 . 34572 1 1535 . 1 . 1 125 125 VAL C C 13 175.118 0.400 . 1 . . . . A 125 VAL C . 34572 1 1536 . 1 . 1 125 125 VAL CA C 13 62.095 0.400 . 1 . . . . A 125 VAL CA . 34572 1 1537 . 1 . 1 125 125 VAL CB C 13 32.089 0.400 . 1 . . . . A 125 VAL CB . 34572 1 1538 . 1 . 1 125 125 VAL CG1 C 13 20.728 0.400 . 2 . . . . A 125 VAL CG1 . 34572 1 1539 . 1 . 1 125 125 VAL CG2 C 13 20.778 0.400 . 2 . . . . A 125 VAL CG2 . 34572 1 1540 . 1 . 1 125 125 VAL N N 15 122.195 0.400 . 1 . . . . A 125 VAL N . 34572 1 1541 . 1 . 1 126 126 LYS H H 1 8.472 0.020 . 1 . . . . A 126 LYS H . 34572 1 1542 . 1 . 1 126 126 LYS HA H 1 4.323 0.020 . 1 . . . . A 126 LYS HA . 34572 1 1543 . 1 . 1 126 126 LYS HB2 H 1 1.791 0.020 . 2 . . . . A 126 LYS HB2 . 34572 1 1544 . 1 . 1 126 126 LYS HB3 H 1 1.698 0.020 . 2 . . . . A 126 LYS HB3 . 34572 1 1545 . 1 . 1 126 126 LYS HG2 H 1 1.397 0.020 . 2 . . . . A 126 LYS HG2 . 34572 1 1546 . 1 . 1 126 126 LYS HG3 H 1 1.346 0.020 . 2 . . . . A 126 LYS HG3 . 34572 1 1547 . 1 . 1 126 126 LYS HD2 H 1 1.678 0.020 . 2 . . . . A 126 LYS HD2 . 34572 1 1548 . 1 . 1 126 126 LYS HD3 H 1 1.678 0.020 . 2 . . . . A 126 LYS HD3 . 34572 1 1549 . 1 . 1 126 126 LYS HE2 H 1 2.967 0.020 . 2 . . . . A 126 LYS HE2 . 34572 1 1550 . 1 . 1 126 126 LYS HE3 H 1 2.967 0.020 . 2 . . . . A 126 LYS HE3 . 34572 1 1551 . 1 . 1 126 126 LYS C C 13 175.289 0.400 . 1 . . . . A 126 LYS C . 34572 1 1552 . 1 . 1 126 126 LYS CA C 13 55.569 0.400 . 1 . . . . A 126 LYS CA . 34572 1 1553 . 1 . 1 126 126 LYS CB C 13 32.771 0.400 . 1 . . . . A 126 LYS CB . 34572 1 1554 . 1 . 1 126 126 LYS CG C 13 24.189 0.400 . 1 . . . . A 126 LYS CG . 34572 1 1555 . 1 . 1 126 126 LYS CD C 13 28.649 0.400 . 1 . . . . A 126 LYS CD . 34572 1 1556 . 1 . 1 126 126 LYS CE C 13 41.469 0.400 . 1 . . . . A 126 LYS CE . 34572 1 1557 . 1 . 1 126 126 LYS N N 15 125.847 0.400 . 1 . . . . A 126 LYS N . 34572 1 1558 . 1 . 1 127 127 LEU H H 1 8.409 0.020 . 1 . . . . A 127 LEU H . 34572 1 1559 . 1 . 1 127 127 LEU HA H 1 4.321 0.020 . 1 . . . . A 127 LEU HA . 34572 1 1560 . 1 . 1 127 127 LEU HB2 H 1 1.599 0.020 . 2 . . . . A 127 LEU HB2 . 34572 1 1561 . 1 . 1 127 127 LEU HB3 H 1 1.599 0.020 . 2 . . . . A 127 LEU HB3 . 34572 1 1562 . 1 . 1 127 127 LEU HG H 1 1.646 0.020 . 1 . . . . A 127 LEU HG . 34572 1 1563 . 1 . 1 127 127 LEU HD11 H 1 0.932 0.020 . 2 . . . . A 127 LEU HD11 . 34572 1 1564 . 1 . 1 127 127 LEU HD12 H 1 0.932 0.020 . 2 . . . . A 127 LEU HD12 . 34572 1 1565 . 1 . 1 127 127 LEU HD13 H 1 0.932 0.020 . 2 . . . . A 127 LEU HD13 . 34572 1 1566 . 1 . 1 127 127 LEU HD21 H 1 0.872 0.020 . 2 . . . . A 127 LEU HD21 . 34572 1 1567 . 1 . 1 127 127 LEU HD22 H 1 0.872 0.020 . 2 . . . . A 127 LEU HD22 . 34572 1 1568 . 1 . 1 127 127 LEU HD23 H 1 0.872 0.020 . 2 . . . . A 127 LEU HD23 . 34572 1 1569 . 1 . 1 127 127 LEU C C 13 176.316 0.400 . 1 . . . . A 127 LEU C . 34572 1 1570 . 1 . 1 127 127 LEU CA C 13 54.344 0.400 . 1 . . . . A 127 LEU CA . 34572 1 1571 . 1 . 1 127 127 LEU CB C 13 41.983 0.400 . 1 . . . . A 127 LEU CB . 34572 1 1572 . 1 . 1 127 127 LEU CG C 13 26.422 0.400 . 1 . . . . A 127 LEU CG . 34572 1 1573 . 1 . 1 127 127 LEU CD1 C 13 24.422 0.400 . 2 . . . . A 127 LEU CD1 . 34572 1 1574 . 1 . 1 127 127 LEU CD2 C 13 23.087 0.400 . 2 . . . . A 127 LEU CD2 . 34572 1 1575 . 1 . 1 127 127 LEU N N 15 125.313 0.400 . 1 . . . . A 127 LEU N . 34572 1 1576 . 1 . 1 128 128 ALA H H 1 8.328 0.020 . 1 . . . . A 128 ALA H . 34572 1 1577 . 1 . 1 128 128 ALA HA H 1 4.253 0.020 . 1 . . . . A 128 ALA HA . 34572 1 1578 . 1 . 1 128 128 ALA HB1 H 1 1.356 0.020 . 1 . . . . A 128 ALA HB1 . 34572 1 1579 . 1 . 1 128 128 ALA HB2 H 1 1.356 0.020 . 1 . . . . A 128 ALA HB2 . 34572 1 1580 . 1 . 1 128 128 ALA HB3 H 1 1.356 0.020 . 1 . . . . A 128 ALA HB3 . 34572 1 1581 . 1 . 1 128 128 ALA C C 13 176.738 0.400 . 1 . . . . A 128 ALA C . 34572 1 1582 . 1 . 1 128 128 ALA CA C 13 51.841 0.400 . 1 . . . . A 128 ALA CA . 34572 1 1583 . 1 . 1 128 128 ALA CB C 13 18.665 0.400 . 1 . . . . A 128 ALA CB . 34572 1 1584 . 1 . 1 128 128 ALA N N 15 125.216 0.400 . 1 . . . . A 128 ALA N . 34572 1 1585 . 1 . 1 129 129 ALA H H 1 8.232 0.020 . 1 . . . . A 129 ALA H . 34572 1 1586 . 1 . 1 129 129 ALA HA H 1 4.251 0.020 . 1 . . . . A 129 ALA HA . 34572 1 1587 . 1 . 1 129 129 ALA HB1 H 1 1.366 0.020 . 1 . . . . A 129 ALA HB1 . 34572 1 1588 . 1 . 1 129 129 ALA HB2 H 1 1.366 0.020 . 1 . . . . A 129 ALA HB2 . 34572 1 1589 . 1 . 1 129 129 ALA HB3 H 1 1.366 0.020 . 1 . . . . A 129 ALA HB3 . 34572 1 1590 . 1 . 1 129 129 ALA C C 13 176.962 0.400 . 1 . . . . A 129 ALA C . 34572 1 1591 . 1 . 1 129 129 ALA CA C 13 51.898 0.400 . 1 . . . . A 129 ALA CA . 34572 1 1592 . 1 . 1 129 129 ALA CB C 13 18.665 0.400 . 1 . . . . A 129 ALA CB . 34572 1 1593 . 1 . 1 129 129 ALA N N 15 123.202 0.400 . 1 . . . . A 129 ALA N . 34572 1 1594 . 1 . 1 130 130 ALA H H 1 8.226 0.020 . 1 . . . . A 130 ALA H . 34572 1 1595 . 1 . 1 130 130 ALA HA H 1 4.248 0.020 . 1 . . . . A 130 ALA HA . 34572 1 1596 . 1 . 1 130 130 ALA HB1 H 1 1.368 0.020 . 1 . . . . A 130 ALA HB1 . 34572 1 1597 . 1 . 1 130 130 ALA HB2 H 1 1.368 0.020 . 1 . . . . A 130 ALA HB2 . 34572 1 1598 . 1 . 1 130 130 ALA HB3 H 1 1.368 0.020 . 1 . . . . A 130 ALA HB3 . 34572 1 1599 . 1 . 1 130 130 ALA C C 13 177.106 0.400 . 1 . . . . A 130 ALA C . 34572 1 1600 . 1 . 1 130 130 ALA CA C 13 51.947 0.400 . 1 . . . . A 130 ALA CA . 34572 1 1601 . 1 . 1 130 130 ALA CB C 13 18.730 0.400 . 1 . . . . A 130 ALA CB . 34572 1 1602 . 1 . 1 130 130 ALA N N 15 122.518 0.400 . 1 . . . . A 130 ALA N . 34572 1 1603 . 1 . 1 131 131 LEU H H 1 8.125 0.020 . 1 . . . . A 131 LEU H . 34572 1 1604 . 1 . 1 131 131 LEU HA H 1 4.283 0.020 . 1 . . . . A 131 LEU HA . 34572 1 1605 . 1 . 1 131 131 LEU HB2 H 1 1.600 0.020 . 2 . . . . A 131 LEU HB2 . 34572 1 1606 . 1 . 1 131 131 LEU HB3 H 1 1.516 0.020 . 2 . . . . A 131 LEU HB3 . 34572 1 1607 . 1 . 1 131 131 LEU HG H 1 1.596 0.020 . 1 . . . . A 131 LEU HG . 34572 1 1608 . 1 . 1 131 131 LEU HD11 H 1 0.905 0.020 . 2 . . . . A 131 LEU HD11 . 34572 1 1609 . 1 . 1 131 131 LEU HD12 H 1 0.905 0.020 . 2 . . . . A 131 LEU HD12 . 34572 1 1610 . 1 . 1 131 131 LEU HD13 H 1 0.905 0.020 . 2 . . . . A 131 LEU HD13 . 34572 1 1611 . 1 . 1 131 131 LEU HD21 H 1 0.845 0.020 . 2 . . . . A 131 LEU HD21 . 34572 1 1612 . 1 . 1 131 131 LEU HD22 H 1 0.845 0.020 . 2 . . . . A 131 LEU HD22 . 34572 1 1613 . 1 . 1 131 131 LEU HD23 H 1 0.845 0.020 . 2 . . . . A 131 LEU HD23 . 34572 1 1614 . 1 . 1 131 131 LEU C C 13 176.777 0.400 . 1 . . . . A 131 LEU C . 34572 1 1615 . 1 . 1 131 131 LEU CA C 13 54.524 0.400 . 1 . . . . A 131 LEU CA . 34572 1 1616 . 1 . 1 131 131 LEU CB C 13 41.748 0.400 . 1 . . . . A 131 LEU CB . 34572 1 1617 . 1 . 1 131 131 LEU CG C 13 26.401 0.400 . 1 . . . . A 131 LEU CG . 34572 1 1618 . 1 . 1 131 131 LEU CD1 C 13 24.449 0.400 . 2 . . . . A 131 LEU CD1 . 34572 1 1619 . 1 . 1 131 131 LEU CD2 C 13 22.881 0.400 . 2 . . . . A 131 LEU CD2 . 34572 1 1620 . 1 . 1 131 131 LEU N N 15 120.590 0.400 . 1 . . . . A 131 LEU N . 34572 1 1621 . 1 . 1 132 132 GLU H H 1 8.257 0.020 . 1 . . . . A 132 GLU H . 34572 1 1622 . 1 . 1 132 132 GLU HA H 1 4.193 0.020 . 1 . . . . A 132 GLU HA . 34572 1 1623 . 1 . 1 132 132 GLU HB2 H 1 1.904 0.020 . 2 . . . . A 132 GLU HB2 . 34572 1 1624 . 1 . 1 132 132 GLU HB3 H 1 1.843 0.020 . 2 . . . . A 132 GLU HB3 . 34572 1 1625 . 1 . 1 132 132 GLU HG2 H 1 2.193 0.020 . 2 . . . . A 132 GLU HG2 . 34572 1 1626 . 1 . 1 132 132 GLU HG3 H 1 2.127 0.020 . 2 . . . . A 132 GLU HG3 . 34572 1 1627 . 1 . 1 132 132 GLU C C 13 175.553 0.400 . 1 . . . . A 132 GLU C . 34572 1 1628 . 1 . 1 132 132 GLU CA C 13 55.974 0.400 . 1 . . . . A 132 GLU CA . 34572 1 1629 . 1 . 1 132 132 GLU CB C 13 29.824 0.400 . 1 . . . . A 132 GLU CB . 34572 1 1630 . 1 . 1 132 132 GLU CG C 13 35.618 0.400 . 1 . . . . A 132 GLU CG . 34572 1 1631 . 1 . 1 132 132 GLU N N 15 120.984 0.400 . 1 . . . . A 132 GLU N . 34572 1 1632 . 1 . 1 133 133 HIS H H 1 8.238 0.020 . 1 . . . . A 133 HIS H . 34572 1 1633 . 1 . 1 133 133 HIS HA H 1 4.523 0.020 . 1 . . . . A 133 HIS HA . 34572 1 1634 . 1 . 1 133 133 HIS HB2 H 1 2.992 0.020 . 2 . . . . A 133 HIS HB2 . 34572 1 1635 . 1 . 1 133 133 HIS HB3 H 1 2.992 0.020 . 2 . . . . A 133 HIS HB3 . 34572 1 1636 . 1 . 1 133 133 HIS C C 13 174.526 0.400 . 1 . . . . A 133 HIS C . 34572 1 1637 . 1 . 1 133 133 HIS CA C 13 55.668 0.400 . 1 . . . . A 133 HIS CA . 34572 1 1638 . 1 . 1 133 133 HIS CB C 13 30.186 0.400 . 1 . . . . A 133 HIS CB . 34572 1 1639 . 1 . 1 133 133 HIS N N 15 119.854 0.400 . 1 . . . . A 133 HIS N . 34572 1 1640 . 1 . 1 137 137 HIS HA H 1 4.533 0.020 . 1 . . . . A 137 HIS HA . 34572 1 1641 . 1 . 1 137 137 HIS HB2 H 1 2.994 0.020 . 2 . . . . A 137 HIS HB2 . 34572 1 1642 . 1 . 1 137 137 HIS HB3 H 1 2.944 0.020 . 2 . . . . A 137 HIS HB3 . 34572 1 1643 . 1 . 1 137 137 HIS C C 13 173.538 0.400 . 1 . . . . A 137 HIS C . 34572 1 1644 . 1 . 1 137 137 HIS CA C 13 55.636 0.400 . 1 . . . . A 137 HIS CA . 34572 1 1645 . 1 . 1 137 137 HIS CB C 13 30.215 0.400 . 1 . . . . A 137 HIS CB . 34572 1 1646 . 1 . 1 138 138 HIS H H 1 7.993 0.020 . 1 . . . . A 138 HIS H . 34572 1 1647 . 1 . 1 138 138 HIS HA H 1 4.391 0.020 . 1 . . . . A 138 HIS HA . 34572 1 1648 . 1 . 1 138 138 HIS HB2 H 1 3.158 0.020 . 2 . . . . A 138 HIS HB2 . 34572 1 1649 . 1 . 1 138 138 HIS HB3 H 1 3.017 0.020 . 2 . . . . A 138 HIS HB3 . 34572 1 1650 . 1 . 1 138 138 HIS C C 13 178.752 0.400 . 1 . . . . A 138 HIS C . 34572 1 1651 . 1 . 1 138 138 HIS CA C 13 56.902 0.400 . 1 . . . . A 138 HIS CA . 34572 1 1652 . 1 . 1 138 138 HIS CB C 13 30.186 0.400 . 1 . . . . A 138 HIS CB . 34572 1 1653 . 1 . 1 138 138 HIS N N 15 125.358 0.400 . 1 . . . . A 138 HIS N . 34572 1 1654 . 2 . 2 1 1 S1Q H32 H 1 8.733 0.020 . 1 . . . . A 201 S1Q H32 . 34572 1 1655 . 2 . 2 1 1 S1Q H331 H 1 3.844 0.020 . 1 . . . . A 201 S1Q H331 . 34572 1 1656 . 2 . 2 1 1 S1Q H332 H 1 3.844 0.020 . 1 . . . . A 201 S1Q H332 . 34572 1 1657 . 2 . 2 1 1 S1Q H333 H 1 3.844 0.020 . 1 . . . . A 201 S1Q H333 . 34572 1 1658 . 2 . 2 1 1 S1Q H21 H 1 6.251 0.020 . 1 . . . . A 201 S1Q H21 . 34572 1 1659 . 2 . 2 1 1 S1Q H45 H 1 7.961 0.020 . 1 . . . . A 201 S1Q H45 . 34572 1 1660 . 2 . 2 1 1 S1Q H81 H 1 3.606 0.020 . 1 . . . . A 201 S1Q H81 . 34572 1 1661 . 2 . 2 1 1 S1Q H82 H 1 3.606 0.020 . 1 . . . . A 201 S1Q H82 . 34572 1 1662 . 2 . 2 1 1 S1Q H83 H 1 3.606 0.020 . 1 . . . . A 201 S1Q H83 . 34572 1 1663 . 2 . 2 1 1 S1Q H10 H 1 7.434 0.020 . 1 . . . . A 201 S1Q H10 . 34572 1 1664 . 2 . 2 1 1 S1Q H11 H 1 8.045 0.020 . 1 . . . . A 201 S1Q H11 . 34572 1 1665 . 2 . 2 1 1 S1Q H131 H 1 7.752 0.020 . 1 . . . . A 201 S1Q H131 . 34572 1 1666 . 2 . 2 1 1 S1Q H141 H 1 8.572 0.020 . 1 . . . . A 201 S1Q H141 . 34572 1 1667 . 2 . 2 1 1 S1Q H142 H 1 8.572 0.020 . 1 . . . . A 201 S1Q H142 . 34572 1 1668 . 2 . 2 1 1 S1Q H132 H 1 7.752 0.020 . 1 . . . . A 201 S1Q H132 . 34572 1 1669 . 2 . 2 1 1 S1Q H22 H 1 6.298 0.020 . 1 . . . . A 201 S1Q H22 . 34572 1 stop_ save_