data_34817 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34817 _Entry.Title ; bacteriophage T5 l-alanoyl-d-glutamate peptidase Zn2+/Ca2+ form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-17 _Entry.Accession_date 2023-05-17 _Entry.Last_release_date 2023-07-02 _Entry.Original_release_date 2023-07-02 _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 D. Prokhorov D. A. . . 34817 2 V. Kutyshenko V. P. . . 34817 3 G. Mikoulinskaia G. V. . . 34817 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 34817 'Zn2+ and Ca2+ containing form' . 34817 'bacteriophage T5' . 34817 endolysin . 34817 'l-alanoyl-d-glutamate peptidase' . 34817 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34817 spectral_peak_list 1 34817 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 607 34817 '15N chemical shifts' 141 34817 '1H chemical shifts' 569 34817 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-07-04 . original BMRB . 34817 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8P3A 'BMRB Entry Tracking System' 34817 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34817 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mechanism of Ca2+-dependent activation of L-alanoyl-D-glutamate peptidase bacteriophage T5. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Prokhorov D. A. . . 34817 1 2 G. Mikoulinskaia G. V. . . 34817 1 3 N. Molochkov N. V. . . 34817 1 4 V. Uversky V. N. . . 34817 1 5 V. Kutyshenko V. P. . . 34817 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34817 _Assembly.ID 1 _Assembly.Name 'L-alanyl-D-glutamate peptidase (E.C.3.4.24.-)' _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 . . . . . . 34817 1 2 unit_2 2 $entity_ZN B A no . . . . . . 34817 1 3 unit_3 3 $entity_CA C A no . . . . . . 34817 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34817 _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 ; MSFKFGKNSEKQLATVKPEL QKVARRALELSPYDFTIVQG IRTVAQSAQNIANGTSFLKD PSKSKHITGDAIDFAPYING KIDWNDLEAFWAVKKAFEQA GKELGIKLRFGADWNASGDY HDEIKRGTYDGGHVELV ; _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 137 _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 3.4.24.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15286.202 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'ZN - ZN2+ ION CA - CA2+ ION' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Endolysin common 34817 1 Lysozyme common 34817 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34817 1 2 . SER . 34817 1 3 . PHE . 34817 1 4 . LYS . 34817 1 5 . PHE . 34817 1 6 . GLY . 34817 1 7 . LYS . 34817 1 8 . ASN . 34817 1 9 . SER . 34817 1 10 . GLU . 34817 1 11 . LYS . 34817 1 12 . GLN . 34817 1 13 . LEU . 34817 1 14 . ALA . 34817 1 15 . THR . 34817 1 16 . VAL . 34817 1 17 . LYS . 34817 1 18 . PRO . 34817 1 19 . GLU . 34817 1 20 . LEU . 34817 1 21 . GLN . 34817 1 22 . LYS . 34817 1 23 . VAL . 34817 1 24 . ALA . 34817 1 25 . ARG . 34817 1 26 . ARG . 34817 1 27 . ALA . 34817 1 28 . LEU . 34817 1 29 . GLU . 34817 1 30 . LEU . 34817 1 31 . SER . 34817 1 32 . PRO . 34817 1 33 . TYR . 34817 1 34 . ASP . 34817 1 35 . PHE . 34817 1 36 . THR . 34817 1 37 . ILE . 34817 1 38 . VAL . 34817 1 39 . GLN . 34817 1 40 . GLY . 34817 1 41 . ILE . 34817 1 42 . ARG . 34817 1 43 . THR . 34817 1 44 . VAL . 34817 1 45 . ALA . 34817 1 46 . GLN . 34817 1 47 . SER . 34817 1 48 . ALA . 34817 1 49 . GLN . 34817 1 50 . ASN . 34817 1 51 . ILE . 34817 1 52 . ALA . 34817 1 53 . ASN . 34817 1 54 . GLY . 34817 1 55 . THR . 34817 1 56 . SER . 34817 1 57 . PHE . 34817 1 58 . LEU . 34817 1 59 . LYS . 34817 1 60 . ASP . 34817 1 61 . PRO . 34817 1 62 . SER . 34817 1 63 . LYS . 34817 1 64 . SER . 34817 1 65 . LYS . 34817 1 66 . HIS . 34817 1 67 . ILE . 34817 1 68 . THR . 34817 1 69 . GLY . 34817 1 70 . ASP . 34817 1 71 . ALA . 34817 1 72 . ILE . 34817 1 73 . ASP . 34817 1 74 . PHE . 34817 1 75 . ALA . 34817 1 76 . PRO . 34817 1 77 . TYR . 34817 1 78 . ILE . 34817 1 79 . ASN . 34817 1 80 . GLY . 34817 1 81 . LYS . 34817 1 82 . ILE . 34817 1 83 . ASP . 34817 1 84 . TRP . 34817 1 85 . ASN . 34817 1 86 . ASP . 34817 1 87 . LEU . 34817 1 88 . GLU . 34817 1 89 . ALA . 34817 1 90 . PHE . 34817 1 91 . TRP . 34817 1 92 . ALA . 34817 1 93 . VAL . 34817 1 94 . LYS . 34817 1 95 . LYS . 34817 1 96 . ALA . 34817 1 97 . PHE . 34817 1 98 . GLU . 34817 1 99 . GLN . 34817 1 100 . ALA . 34817 1 101 . GLY . 34817 1 102 . LYS . 34817 1 103 . GLU . 34817 1 104 . LEU . 34817 1 105 . GLY . 34817 1 106 . ILE . 34817 1 107 . LYS . 34817 1 108 . LEU . 34817 1 109 . ARG . 34817 1 110 . PHE . 34817 1 111 . GLY . 34817 1 112 . ALA . 34817 1 113 . ASP . 34817 1 114 . TRP . 34817 1 115 . ASN . 34817 1 116 . ALA . 34817 1 117 . SER . 34817 1 118 . GLY . 34817 1 119 . ASP . 34817 1 120 . TYR . 34817 1 121 . HIS . 34817 1 122 . ASP . 34817 1 123 . GLU . 34817 1 124 . ILE . 34817 1 125 . LYS . 34817 1 126 . ARG . 34817 1 127 . GLY . 34817 1 128 . THR . 34817 1 129 . TYR . 34817 1 130 . ASP . 34817 1 131 . GLY . 34817 1 132 . GLY . 34817 1 133 . HIS . 34817 1 134 . VAL . 34817 1 135 . GLU . 34817 1 136 . LEU . 34817 1 137 . VAL . 34817 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 34817 1 . SER 2 2 34817 1 . PHE 3 3 34817 1 . LYS 4 4 34817 1 . PHE 5 5 34817 1 . GLY 6 6 34817 1 . LYS 7 7 34817 1 . ASN 8 8 34817 1 . SER 9 9 34817 1 . GLU 10 10 34817 1 . LYS 11 11 34817 1 . GLN 12 12 34817 1 . LEU 13 13 34817 1 . ALA 14 14 34817 1 . THR 15 15 34817 1 . VAL 16 16 34817 1 . LYS 17 17 34817 1 . PRO 18 18 34817 1 . GLU 19 19 34817 1 . LEU 20 20 34817 1 . GLN 21 21 34817 1 . LYS 22 22 34817 1 . VAL 23 23 34817 1 . ALA 24 24 34817 1 . ARG 25 25 34817 1 . ARG 26 26 34817 1 . ALA 27 27 34817 1 . LEU 28 28 34817 1 . GLU 29 29 34817 1 . LEU 30 30 34817 1 . SER 31 31 34817 1 . PRO 32 32 34817 1 . TYR 33 33 34817 1 . ASP 34 34 34817 1 . PHE 35 35 34817 1 . THR 36 36 34817 1 . ILE 37 37 34817 1 . VAL 38 38 34817 1 . GLN 39 39 34817 1 . GLY 40 40 34817 1 . ILE 41 41 34817 1 . ARG 42 42 34817 1 . THR 43 43 34817 1 . VAL 44 44 34817 1 . ALA 45 45 34817 1 . GLN 46 46 34817 1 . SER 47 47 34817 1 . ALA 48 48 34817 1 . GLN 49 49 34817 1 . ASN 50 50 34817 1 . ILE 51 51 34817 1 . ALA 52 52 34817 1 . ASN 53 53 34817 1 . GLY 54 54 34817 1 . THR 55 55 34817 1 . SER 56 56 34817 1 . PHE 57 57 34817 1 . LEU 58 58 34817 1 . LYS 59 59 34817 1 . ASP 60 60 34817 1 . PRO 61 61 34817 1 . SER 62 62 34817 1 . LYS 63 63 34817 1 . SER 64 64 34817 1 . LYS 65 65 34817 1 . HIS 66 66 34817 1 . ILE 67 67 34817 1 . THR 68 68 34817 1 . GLY 69 69 34817 1 . ASP 70 70 34817 1 . ALA 71 71 34817 1 . ILE 72 72 34817 1 . ASP 73 73 34817 1 . PHE 74 74 34817 1 . ALA 75 75 34817 1 . PRO 76 76 34817 1 . TYR 77 77 34817 1 . ILE 78 78 34817 1 . ASN 79 79 34817 1 . GLY 80 80 34817 1 . LYS 81 81 34817 1 . ILE 82 82 34817 1 . ASP 83 83 34817 1 . TRP 84 84 34817 1 . ASN 85 85 34817 1 . ASP 86 86 34817 1 . LEU 87 87 34817 1 . GLU 88 88 34817 1 . ALA 89 89 34817 1 . PHE 90 90 34817 1 . TRP 91 91 34817 1 . ALA 92 92 34817 1 . VAL 93 93 34817 1 . LYS 94 94 34817 1 . LYS 95 95 34817 1 . ALA 96 96 34817 1 . PHE 97 97 34817 1 . GLU 98 98 34817 1 . GLN 99 99 34817 1 . ALA 100 100 34817 1 . GLY 101 101 34817 1 . LYS 102 102 34817 1 . GLU 103 103 34817 1 . LEU 104 104 34817 1 . GLY 105 105 34817 1 . ILE 106 106 34817 1 . LYS 107 107 34817 1 . LEU 108 108 34817 1 . ARG 109 109 34817 1 . PHE 110 110 34817 1 . GLY 111 111 34817 1 . ALA 112 112 34817 1 . ASP 113 113 34817 1 . TRP 114 114 34817 1 . ASN 115 115 34817 1 . ALA 116 116 34817 1 . SER 117 117 34817 1 . GLY 118 118 34817 1 . ASP 119 119 34817 1 . TYR 120 120 34817 1 . HIS 121 121 34817 1 . ASP 122 122 34817 1 . GLU 123 123 34817 1 . ILE 124 124 34817 1 . LYS 125 125 34817 1 . ARG 126 126 34817 1 . GLY 127 127 34817 1 . THR 128 128 34817 1 . TYR 129 129 34817 1 . ASP 130 130 34817 1 . GLY 131 131 34817 1 . GLY 132 132 34817 1 . HIS 133 133 34817 1 . VAL 134 134 34817 1 . GLU 135 135 34817 1 . LEU 136 136 34817 1 . VAL 137 137 34817 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34817 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34817 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34817 2 ZN 'Three letter code' 34817 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 34817 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 34817 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 34817 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 34817 3 CA 'Three letter code' 34817 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 34817 3 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 34817 _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 . 2695836 organism . 'Escherichia phage T5' 'Escherichia phage T5' . . Viruses . Tequintavirus 'Escherichia phage T5' . . . . . . . . . . . 'lys, T5.040, T5p039, orf10c' . 34817 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 34817 _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 B' . . 37762 . . . . . pET3a . . . . . . 34817 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 34817 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag 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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34817 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34817 ZN [Zn++] SMILES CACTVS 3.341 34817 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34817 ZN [Zn+2] SMILES ACDLabs 10.04 34817 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34817 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34817 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 34817 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34817 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34817 ZN stop_ save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 34817 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 34817 CA InChI=1S/Ca/q+2 InChI InChI 1.03 34817 CA [Ca++] SMILES CACTVS 3.341 34817 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 34817 CA [Ca+2] SMILES ACDLabs 10.04 34817 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 34817 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34817 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 34817 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34817 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34817 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34817 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-100% 13C; U-100% 15N] l-alanoyl-d-glutamate peptidase, 50 mM [U-100% 2H] sodium acetate, 3 mM Zn(NO3)2, 3 mM CaCl2, 0.03 % sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'l-alanoyl-d-glutamate peptidase' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 34817 1 2 'sodium acetate' '[U-100% 2H]' . . . . . . 50 . . mM 5 . . . 34817 1 3 Zn(NO3)2 'natural abundance' . . . . . . 3 . . mM 0.05 . . . 34817 1 4 CaCl2 'natural abundance' . . . . . . 3 . . mM 0.05 . . . 34817 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % 0.003 . . . 34817 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 34817 _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' 50 5 mM 34817 1 pH 4.1 0.05 pH 34817 1 pressure 1 0.01 atm 34817 1 temperature 298 0.2 K 34817 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34817 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34817 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34817 1 'structure calculation' . 34817 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34817 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 'Release: 1.8.4.2' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34817 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34817 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34817 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34817 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34817 3 processing . 34817 3 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 34817 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TXI probehead' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34817 _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' . 600 . . . 34817 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 34817 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 5 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 8 '2D CBHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 12 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 13 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34817 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 34817 _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 . . . . . 34817 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34817 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34817 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 34817 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34817 1 2 '2D 1H-13C HSQC' . . . 34817 1 3 '3D HNCACB' . . . 34817 1 4 '3D CBCA(CO)NH' . . . 34817 1 5 '3D C(CO)NH' . . . 34817 1 6 '3D 1H-15N TOCSY' . . . 34817 1 7 '3D HCCH-TOCSY' . . . 34817 1 8 '2D CBHD' . . . 34817 1 9 '3D 1H-15N NOESY' . . . 34817 1 10 '3D 1H-13C NOESY aliphatic' . . . 34817 1 11 '2D 1H-13C HSQC aromatic' . . . 34817 1 12 '3D HNCO' . . . 34817 1 13 '3D HN(CO)CA' . . . 34817 1 14 '3D 1H-13C NOESY aromatic' . . . 34817 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 2 2 SER H H 1 8.405 0.020 . 1 . . . . A 2 SER H . 34817 1 2 . 1 . 1 2 2 SER HA H 1 4.020 0.020 . 1 . . . . A 2 SER HA . 34817 1 3 . 1 . 1 2 2 SER C C 13 170.362 0.3 . 1 . . . . A 2 SER C . 34817 1 4 . 1 . 1 2 2 SER CA C 13 57.115 0.3 . 1 . . . . A 2 SER CA . 34817 1 5 . 1 . 1 2 2 SER CB C 13 63.016 0.3 . 1 . . . . A 2 SER CB . 34817 1 6 . 1 . 1 2 2 SER N N 15 131.484 0.3 . 1 . . . . A 2 SER N . 34817 1 7 . 1 . 1 3 3 PHE H H 1 8.487 0.020 . 1 . . . . A 3 PHE H . 34817 1 8 . 1 . 1 3 3 PHE HA H 1 4.792 0.020 . 1 . . . . A 3 PHE HA . 34817 1 9 . 1 . 1 3 3 PHE HB2 H 1 3.054 0.020 . 2 . . . . A 3 PHE HB2 . 34817 1 10 . 1 . 1 3 3 PHE HB3 H 1 2.348 0.020 . 2 . . . . A 3 PHE HB3 . 34817 1 11 . 1 . 1 3 3 PHE HZ H 1 7.071 0.020 . 1 . . . . A 3 PHE HZ . 34817 1 12 . 1 . 1 3 3 PHE C C 13 174.217 0.3 . 1 . . . . A 3 PHE C . 34817 1 13 . 1 . 1 3 3 PHE CA C 13 56.329 0.3 . 1 . . . . A 3 PHE CA . 34817 1 14 . 1 . 1 3 3 PHE CB C 13 40.066 0.3 . 1 . . . . A 3 PHE CB . 34817 1 15 . 1 . 1 3 3 PHE CD1 C 13 131.468 0.3 . 1 . . . . A 3 PHE CD1 . 34817 1 16 . 1 . 1 3 3 PHE CD2 C 13 131.469 0.3 . 1 . . . . A 3 PHE CD2 . 34817 1 17 . 1 . 1 3 3 PHE CE1 C 13 131.940 0.3 . 1 . . . . A 3 PHE CE1 . 34817 1 18 . 1 . 1 3 3 PHE CE2 C 13 131.940 0.3 . 1 . . . . A 3 PHE CE2 . 34817 1 19 . 1 . 1 3 3 PHE CZ C 13 129.661 0.3 . 1 . . . . A 3 PHE CZ . 34817 1 20 . 1 . 1 3 3 PHE N N 15 121.851 0.3 . 1 . . . . A 3 PHE N . 34817 1 21 . 1 . 1 4 4 LYS H H 1 8.355 0.020 . 1 . . . . A 4 LYS H . 34817 1 22 . 1 . 1 4 4 LYS HA H 1 4.449 0.020 . 1 . . . . A 4 LYS HA . 34817 1 23 . 1 . 1 4 4 LYS HB2 H 1 1.667 0.020 . 2 . . . . A 4 LYS HB2 . 34817 1 24 . 1 . 1 4 4 LYS HB3 H 1 1.585 0.020 . 2 . . . . A 4 LYS HB3 . 34817 1 25 . 1 . 1 4 4 LYS C C 13 176.253 0.3 . 1 . . . . A 4 LYS C . 34817 1 26 . 1 . 1 4 4 LYS CA C 13 54.671 0.3 . 1 . . . . A 4 LYS CA . 34817 1 27 . 1 . 1 4 4 LYS CB C 13 35.862 0.3 . 1 . . . . A 4 LYS CB . 34817 1 28 . 1 . 1 4 4 LYS CG C 13 24.107 0.3 . 1 . . . . A 4 LYS CG . 34817 1 29 . 1 . 1 4 4 LYS CD C 13 28.950 0.3 . 1 . . . . A 4 LYS CD . 34817 1 30 . 1 . 1 4 4 LYS CE C 13 42.116 0.3 . 1 . . . . A 4 LYS CE . 34817 1 31 . 1 . 1 4 4 LYS N N 15 119.478 0.3 . 1 . . . . A 4 LYS N . 34817 1 32 . 1 . 1 5 5 PHE H H 1 8.598 0.020 . 1 . . . . A 5 PHE H . 34817 1 33 . 1 . 1 5 5 PHE HA H 1 4.873 0.020 . 1 . . . . A 5 PHE HA . 34817 1 34 . 1 . 1 5 5 PHE HB2 H 1 3.007 0.020 . 2 . . . . A 5 PHE HB2 . 34817 1 35 . 1 . 1 5 5 PHE HB3 H 1 3.155 0.020 . 2 . . . . A 5 PHE HB3 . 34817 1 36 . 1 . 1 5 5 PHE HZ H 1 6.864 0.020 . 1 . . . . A 5 PHE HZ . 34817 1 37 . 1 . 1 5 5 PHE C C 13 178.165 0.3 . 1 . . . . A 5 PHE C . 34817 1 38 . 1 . 1 5 5 PHE CA C 13 58.363 0.3 . 1 . . . . A 5 PHE CA . 34817 1 39 . 1 . 1 5 5 PHE CB C 13 39.267 0.3 . 1 . . . . A 5 PHE CB . 34817 1 40 . 1 . 1 5 5 PHE CD1 C 13 131.668 0.3 . 1 . . . . A 5 PHE CD1 . 34817 1 41 . 1 . 1 5 5 PHE CD2 C 13 131.668 0.3 . 1 . . . . A 5 PHE CD2 . 34817 1 42 . 1 . 1 5 5 PHE CE1 C 13 129.246 0.3 . 1 . . . . A 5 PHE CE1 . 34817 1 43 . 1 . 1 5 5 PHE CE2 C 13 129.246 0.3 . 1 . . . . A 5 PHE CE2 . 34817 1 44 . 1 . 1 5 5 PHE CZ C 13 131.500 0.3 . 1 . . . . A 5 PHE CZ . 34817 1 45 . 1 . 1 5 5 PHE N N 15 124.441 0.3 . 1 . . . . A 5 PHE N . 34817 1 46 . 1 . 1 6 6 GLY H H 1 8.688 0.020 . 1 . . . . A 6 GLY H . 34817 1 47 . 1 . 1 6 6 GLY HA2 H 1 3.954 0.020 . 2 . . . . A 6 GLY HA2 . 34817 1 48 . 1 . 1 6 6 GLY HA3 H 1 4.377 0.020 . 2 . . . . A 6 GLY HA3 . 34817 1 49 . 1 . 1 6 6 GLY C C 13 174.063 0.3 . 1 . . . . A 6 GLY C . 34817 1 50 . 1 . 1 6 6 GLY CA C 13 43.878 0.3 . 1 . . . . A 6 GLY CA . 34817 1 51 . 1 . 1 6 6 GLY N N 15 108.873 0.3 . 1 . . . . A 6 GLY N . 34817 1 52 . 1 . 1 7 7 LYS H H 1 8.674 0.020 . 1 . . . . A 7 LYS H . 34817 1 53 . 1 . 1 7 7 LYS HA H 1 3.969 0.020 . 1 . . . . A 7 LYS HA . 34817 1 54 . 1 . 1 7 7 LYS HB2 H 1 1.850 0.020 . 2 . . . . A 7 LYS HB2 . 34817 1 55 . 1 . 1 7 7 LYS HB3 H 1 1.906 0.020 . 2 . . . . A 7 LYS HB3 . 34817 1 56 . 1 . 1 7 7 LYS C C 13 179.646 0.3 . 1 . . . . A 7 LYS C . 34817 1 57 . 1 . 1 7 7 LYS CA C 13 59.980 0.3 . 1 . . . . A 7 LYS CA . 34817 1 58 . 1 . 1 7 7 LYS CB C 13 32.383 0.3 . 1 . . . . A 7 LYS CB . 34817 1 59 . 1 . 1 7 7 LYS CG C 13 24.916 0.3 . 1 . . . . A 7 LYS CG . 34817 1 60 . 1 . 1 7 7 LYS CD C 13 28.780 0.3 . 1 . . . . A 7 LYS CD . 34817 1 61 . 1 . 1 7 7 LYS CE C 13 41.943 0.3 . 1 . . . . A 7 LYS CE . 34817 1 62 . 1 . 1 7 7 LYS N N 15 119.368 0.3 . 1 . . . . A 7 LYS N . 34817 1 63 . 1 . 1 8 8 ASN H H 1 9.118 0.020 . 1 . . . . A 8 ASN H . 34817 1 64 . 1 . 1 8 8 ASN HA H 1 4.544 0.020 . 1 . . . . A 8 ASN HA . 34817 1 65 . 1 . 1 8 8 ASN HD21 H 1 7.867 0.020 . 1 . . . . A 8 ASN HD21 . 34817 1 66 . 1 . 1 8 8 ASN HD22 H 1 7.109 0.020 . 1 . . . . A 8 ASN HD22 . 34817 1 67 . 1 . 1 8 8 ASN C C 13 178.443 0.3 . 1 . . . . A 8 ASN C . 34817 1 68 . 1 . 1 8 8 ASN CA C 13 56.643 0.3 . 1 . . . . A 8 ASN CA . 34817 1 69 . 1 . 1 8 8 ASN CB C 13 36.964 0.3 . 1 . . . . A 8 ASN CB . 34817 1 70 . 1 . 1 8 8 ASN N N 15 118.446 0.3 . 1 . . . . A 8 ASN N . 34817 1 71 . 1 . 1 8 8 ASN ND2 N 15 113.931 0.3 . 1 . . . . A 8 ASN ND2 . 34817 1 72 . 1 . 1 9 9 SER H H 1 8.028 0.020 . 1 . . . . A 9 SER H . 34817 1 73 . 1 . 1 9 9 SER HA H 1 4.360 0.020 . 1 . . . . A 9 SER HA . 34817 1 74 . 1 . 1 9 9 SER C C 13 176.129 0.3 . 1 . . . . A 9 SER C . 34817 1 75 . 1 . 1 9 9 SER CA C 13 62.790 0.3 . 1 . . . . A 9 SER CA . 34817 1 76 . 1 . 1 9 9 SER CB C 13 64.253 0.3 . 1 . . . . A 9 SER CB . 34817 1 77 . 1 . 1 9 9 SER N N 15 118.577 0.3 . 1 . . . . A 9 SER N . 34817 1 78 . 1 . 1 10 10 GLU H H 1 8.329 0.020 . 1 . . . . A 10 GLU H . 34817 1 79 . 1 . 1 10 10 GLU HA H 1 4.270 0.020 . 1 . . . . A 10 GLU HA . 34817 1 80 . 1 . 1 10 10 GLU HG2 H 1 2.485 0.020 . 2 . . . . A 10 GLU HG2 . 34817 1 81 . 1 . 1 10 10 GLU HG3 H 1 2.590 0.020 . 2 . . . . A 10 GLU HG3 . 34817 1 82 . 1 . 1 10 10 GLU C C 13 179.245 0.3 . 1 . . . . A 10 GLU C . 34817 1 83 . 1 . 1 10 10 GLU CA C 13 59.344 0.3 . 1 . . . . A 10 GLU CA . 34817 1 84 . 1 . 1 10 10 GLU CB C 13 28.622 0.3 . 1 . . . . A 10 GLU CB . 34817 1 85 . 1 . 1 10 10 GLU CG C 13 36.348 0.3 . 1 . . . . A 10 GLU CG . 34817 1 86 . 1 . 1 10 10 GLU N N 15 120.882 0.3 . 1 . . . . A 10 GLU N . 34817 1 87 . 1 . 1 11 11 LYS H H 1 7.945 0.020 . 1 . . . . A 11 LYS H . 34817 1 88 . 1 . 1 11 11 LYS HA H 1 4.056 0.020 . 1 . . . . A 11 LYS HA . 34817 1 89 . 1 . 1 11 11 LYS HG2 H 1 1.605 0.020 . 2 . . . . A 11 LYS HG2 . 34817 1 90 . 1 . 1 11 11 LYS HG3 H 1 1.469 0.020 . 2 . . . . A 11 LYS HG3 . 34817 1 91 . 1 . 1 11 11 LYS C C 13 179.306 0.3 . 1 . . . . A 11 LYS C . 34817 1 92 . 1 . 1 11 11 LYS CA C 13 59.483 0.3 . 1 . . . . A 11 LYS CA . 34817 1 93 . 1 . 1 11 11 LYS CB C 13 32.085 0.3 . 1 . . . . A 11 LYS CB . 34817 1 94 . 1 . 1 11 11 LYS CG C 13 24.759 0.3 . 1 . . . . A 11 LYS CG . 34817 1 95 . 1 . 1 11 11 LYS CD C 13 29.139 0.3 . 1 . . . . A 11 LYS CD . 34817 1 96 . 1 . 1 11 11 LYS CE C 13 42.013 0.3 . 1 . . . . A 11 LYS CE . 34817 1 97 . 1 . 1 11 11 LYS N N 15 119.989 0.3 . 1 . . . . A 11 LYS N . 34817 1 98 . 1 . 1 12 12 GLN H H 1 7.544 0.020 . 1 . . . . A 12 GLN H . 34817 1 99 . 1 . 1 12 12 GLN HA H 1 4.226 0.020 . 1 . . . . A 12 GLN HA . 34817 1 100 . 1 . 1 12 12 GLN HB2 H 1 1.989 0.020 . 2 . . . . A 12 GLN HB2 . 34817 1 101 . 1 . 1 12 12 GLN HB3 H 1 2.072 0.020 . 2 . . . . A 12 GLN HB3 . 34817 1 102 . 1 . 1 12 12 GLN HG2 H 1 2.273 0.020 . 2 . . . . A 12 GLN HG2 . 34817 1 103 . 1 . 1 12 12 GLN HG3 H 1 2.661 0.020 . 2 . . . . A 12 GLN HG3 . 34817 1 104 . 1 . 1 12 12 GLN C C 13 180.447 0.3 . 1 . . . . A 12 GLN C . 34817 1 105 . 1 . 1 12 12 GLN CA C 13 57.400 0.3 . 1 . . . . A 12 GLN CA . 34817 1 106 . 1 . 1 12 12 GLN CB C 13 28.850 0.3 . 1 . . . . A 12 GLN CB . 34817 1 107 . 1 . 1 12 12 GLN CG C 13 32.407 0.3 . 1 . . . . A 12 GLN CG . 34817 1 108 . 1 . 1 12 12 GLN N N 15 114.763 0.3 . 1 . . . . A 12 GLN N . 34817 1 109 . 1 . 1 13 13 LEU H H 1 8.691 0.020 . 1 . . . . A 13 LEU H . 34817 1 110 . 1 . 1 13 13 LEU HA H 1 3.878 0.020 . 1 . . . . A 13 LEU HA . 34817 1 111 . 1 . 1 13 13 LEU HB2 H 1 1.560 0.020 . 2 . . . . A 13 LEU HB2 . 34817 1 112 . 1 . 1 13 13 LEU HB3 H 1 1.406 0.020 . 2 . . . . A 13 LEU HB3 . 34817 1 113 . 1 . 1 13 13 LEU HG H 1 1.461 0.020 . 1 . . . . A 13 LEU HG . 34817 1 114 . 1 . 1 13 13 LEU C C 13 176.962 0.3 . 1 . . . . A 13 LEU C . 34817 1 115 . 1 . 1 13 13 LEU CA C 13 57.117 0.3 . 1 . . . . A 13 LEU CA . 34817 1 116 . 1 . 1 13 13 LEU CB C 13 42.157 0.3 . 1 . . . . A 13 LEU CB . 34817 1 117 . 1 . 1 13 13 LEU CG C 13 26.620 0.3 . 1 . . . . A 13 LEU CG . 34817 1 118 . 1 . 1 13 13 LEU CD1 C 13 23.987 0.3 . 1 . . . . A 13 LEU CD1 . 34817 1 119 . 1 . 1 13 13 LEU CD2 C 13 24.052 0.3 . 1 . . . . A 13 LEU CD2 . 34817 1 120 . 1 . 1 13 13 LEU N N 15 121.779 0.3 . 1 . . . . A 13 LEU N . 34817 1 121 . 1 . 1 14 14 ALA H H 1 7.570 0.020 . 1 . . . . A 14 ALA H . 34817 1 122 . 1 . 1 14 14 ALA HA H 1 4.067 0.020 . 1 . . . . A 14 ALA HA . 34817 1 123 . 1 . 1 14 14 ALA C C 13 178.381 0.3 . 1 . . . . A 14 ALA C . 34817 1 124 . 1 . 1 14 14 ALA CA C 13 53.614 0.3 . 1 . . . . A 14 ALA CA . 34817 1 125 . 1 . 1 14 14 ALA CB C 13 18.123 0.3 . 1 . . . . A 14 ALA CB . 34817 1 126 . 1 . 1 14 14 ALA N N 15 116.337 0.3 . 1 . . . . A 14 ALA N . 34817 1 127 . 1 . 1 15 15 THR H H 1 7.316 0.020 . 1 . . . . A 15 THR H . 34817 1 128 . 1 . 1 15 15 THR HA H 1 4.421 0.020 . 1 . . . . A 15 THR HA . 34817 1 129 . 1 . 1 15 15 THR HB H 1 4.498 0.020 . 1 . . . . A 15 THR HB . 34817 1 130 . 1 . 1 15 15 THR C C 13 174.988 0.3 . 1 . . . . A 15 THR C . 34817 1 131 . 1 . 1 15 15 THR CA C 13 62.241 0.3 . 1 . . . . A 15 THR CA . 34817 1 132 . 1 . 1 15 15 THR CB C 13 70.222 0.3 . 1 . . . . A 15 THR CB . 34817 1 133 . 1 . 1 15 15 THR CG2 C 13 21.292 0.3 . 1 . . . . A 15 THR CG2 . 34817 1 134 . 1 . 1 15 15 THR N N 15 104.061 0.3 . 1 . . . . A 15 THR N . 34817 1 135 . 1 . 1 16 16 VAL H H 1 7.141 0.020 . 1 . . . . A 16 VAL H . 34817 1 136 . 1 . 1 16 16 VAL HA H 1 4.916 0.020 . 1 . . . . A 16 VAL HA . 34817 1 137 . 1 . 1 16 16 VAL HB H 1 2.489 0.020 . 1 . . . . A 16 VAL HB . 34817 1 138 . 1 . 1 16 16 VAL C C 13 176.191 0.3 . 1 . . . . A 16 VAL C . 34817 1 139 . 1 . 1 16 16 VAL CA C 13 59.571 0.3 . 1 . . . . A 16 VAL CA . 34817 1 140 . 1 . 1 16 16 VAL CB C 13 32.998 0.3 . 1 . . . . A 16 VAL CB . 34817 1 141 . 1 . 1 16 16 VAL CG1 C 13 21.713 0.3 . 1 . . . . A 16 VAL CG1 . 34817 1 142 . 1 . 1 16 16 VAL CG2 C 13 17.515 0.3 . 1 . . . . A 16 VAL CG2 . 34817 1 143 . 1 . 1 16 16 VAL N N 15 112.328 0.3 . 1 . . . . A 16 VAL N . 34817 1 144 . 1 . 1 17 17 LYS H H 1 8.868 0.020 . 1 . . . . A 17 LYS H . 34817 1 145 . 1 . 1 17 17 LYS HA H 1 4.208 0.020 . 1 . . . . A 17 LYS HA . 34817 1 146 . 1 . 1 17 17 LYS HB2 H 1 1.773 0.020 . 2 . . . . A 17 LYS HB2 . 34817 1 147 . 1 . 1 17 17 LYS HB3 H 1 1.656 0.020 . 2 . . . . A 17 LYS HB3 . 34817 1 148 . 1 . 1 17 17 LYS CA C 13 55.448 0.3 . 1 . . . . A 17 LYS CA . 34817 1 149 . 1 . 1 17 17 LYS CB C 13 32.077 0.3 . 1 . . . . A 17 LYS CB . 34817 1 150 . 1 . 1 17 17 LYS CG C 13 24.666 0.3 . 1 . . . . A 17 LYS CG . 34817 1 151 . 1 . 1 17 17 LYS CD C 13 28.780 0.3 . 1 . . . . A 17 LYS CD . 34817 1 152 . 1 . 1 17 17 LYS CE C 13 41.962 0.3 . 1 . . . . A 17 LYS CE . 34817 1 153 . 1 . 1 17 17 LYS N N 15 120.724 0.3 . 1 . . . . A 17 LYS N . 34817 1 154 . 1 . 1 18 18 PRO HA H 1 4.130 0.020 . 1 . . . . A 18 PRO HA . 34817 1 155 . 1 . 1 18 18 PRO HB2 H 1 2.428 0.020 . 2 . . . . A 18 PRO HB2 . 34817 1 156 . 1 . 1 18 18 PRO HB3 H 1 2.011 0.020 . 2 . . . . A 18 PRO HB3 . 34817 1 157 . 1 . 1 18 18 PRO HG2 H 1 2.121 0.020 . 2 . . . . A 18 PRO HG2 . 34817 1 158 . 1 . 1 18 18 PRO HG3 H 1 2.264 0.020 . 2 . . . . A 18 PRO HG3 . 34817 1 159 . 1 . 1 18 18 PRO C C 13 178.782 0.3 . 1 . . . . A 18 PRO C . 34817 1 160 . 1 . 1 18 18 PRO CA C 13 65.730 0.3 . 1 . . . . A 18 PRO CA . 34817 1 161 . 1 . 1 18 18 PRO CB C 13 31.868 0.3 . 1 . . . . A 18 PRO CB . 34817 1 162 . 1 . 1 18 18 PRO CG C 13 27.450 0.3 . 1 . . . . A 18 PRO CG . 34817 1 163 . 1 . 1 18 18 PRO CD C 13 50.656 0.3 . 1 . . . . A 18 PRO CD . 34817 1 164 . 1 . 1 19 19 GLU H H 1 9.719 0.020 . 1 . . . . A 19 GLU H . 34817 1 165 . 1 . 1 19 19 GLU HA H 1 4.015 0.020 . 1 . . . . A 19 GLU HA . 34817 1 166 . 1 . 1 19 19 GLU HG2 H 1 2.447 0.020 . 2 . . . . A 19 GLU HG2 . 34817 1 167 . 1 . 1 19 19 GLU HG3 H 1 2.574 0.020 . 2 . . . . A 19 GLU HG3 . 34817 1 168 . 1 . 1 19 19 GLU C C 13 178.042 0.3 . 1 . . . . A 19 GLU C . 34817 1 169 . 1 . 1 19 19 GLU CA C 13 60.884 0.3 . 1 . . . . A 19 GLU CA . 34817 1 170 . 1 . 1 19 19 GLU CB C 13 29.227 0.3 . 1 . . . . A 19 GLU CB . 34817 1 171 . 1 . 1 19 19 GLU CG C 13 36.234 0.3 . 1 . . . . A 19 GLU CG . 34817 1 172 . 1 . 1 19 19 GLU N N 15 117.498 0.3 . 1 . . . . A 19 GLU N . 34817 1 173 . 1 . 1 20 20 LEU H H 1 7.187 0.020 . 1 . . . . A 20 LEU H . 34817 1 174 . 1 . 1 20 20 LEU HA H 1 4.255 0.020 . 1 . . . . A 20 LEU HA . 34817 1 175 . 1 . 1 20 20 LEU HB2 H 1 1.909 0.020 . 2 . . . . A 20 LEU HB2 . 34817 1 176 . 1 . 1 20 20 LEU HB3 H 1 1.431 0.020 . 2 . . . . A 20 LEU HB3 . 34817 1 177 . 1 . 1 20 20 LEU HG H 1 1.455 0.020 . 1 . . . . A 20 LEU HG . 34817 1 178 . 1 . 1 20 20 LEU C C 13 178.319 0.3 . 1 . . . . A 20 LEU C . 34817 1 179 . 1 . 1 20 20 LEU CA C 13 56.157 0.3 . 1 . . . . A 20 LEU CA . 34817 1 180 . 1 . 1 20 20 LEU CB C 13 41.989 0.3 . 1 . . . . A 20 LEU CB . 34817 1 181 . 1 . 1 20 20 LEU CG C 13 26.573 0.3 . 1 . . . . A 20 LEU CG . 34817 1 182 . 1 . 1 20 20 LEU CD1 C 13 25.275 0.3 . 1 . . . . A 20 LEU CD1 . 34817 1 183 . 1 . 1 20 20 LEU CD2 C 13 22.090 0.3 . 1 . . . . A 20 LEU CD2 . 34817 1 184 . 1 . 1 20 20 LEU N N 15 117.897 0.3 . 1 . . . . A 20 LEU N . 34817 1 185 . 1 . 1 21 21 GLN H H 1 7.758 0.020 . 1 . . . . A 21 GLN H . 34817 1 186 . 1 . 1 21 21 GLN HA H 1 3.834 0.020 . 1 . . . . A 21 GLN HA . 34817 1 187 . 1 . 1 21 21 GLN HG2 H 1 2.259 0.020 . 2 . . . . A 21 GLN HG2 . 34817 1 188 . 1 . 1 21 21 GLN HG3 H 1 2.490 0.020 . 2 . . . . A 21 GLN HG3 . 34817 1 189 . 1 . 1 21 21 GLN C C 13 178.165 0.3 . 1 . . . . A 21 GLN C . 34817 1 190 . 1 . 1 21 21 GLN CA C 13 59.985 0.3 . 1 . . . . A 21 GLN CA . 34817 1 191 . 1 . 1 21 21 GLN CB C 13 27.894 0.3 . 1 . . . . A 21 GLN CB . 34817 1 192 . 1 . 1 21 21 GLN CG C 13 34.886 0.3 . 1 . . . . A 21 GLN CG . 34817 1 193 . 1 . 1 21 21 GLN N N 15 118.381 0.3 . 1 . . . . A 21 GLN N . 34817 1 194 . 1 . 1 22 22 LYS H H 1 8.133 0.020 . 1 . . . . A 22 LYS H . 34817 1 195 . 1 . 1 22 22 LYS HA H 1 3.950 0.020 . 1 . . . . A 22 LYS HA . 34817 1 196 . 1 . 1 22 22 LYS HB2 H 1 1.842 0.020 . 2 . . . . A 22 LYS HB2 . 34817 1 197 . 1 . 1 22 22 LYS HB3 H 1 1.906 0.020 . 2 . . . . A 22 LYS HB3 . 34817 1 198 . 1 . 1 22 22 LYS HG2 H 1 1.596 0.020 . 2 . . . . A 22 LYS HG2 . 34817 1 199 . 1 . 1 22 22 LYS HG3 H 1 1.491 0.020 . 2 . . . . A 22 LYS HG3 . 34817 1 200 . 1 . 1 22 22 LYS C C 13 180.355 0.3 . 1 . . . . A 22 LYS C . 34817 1 201 . 1 . 1 22 22 LYS CA C 13 59.729 0.3 . 1 . . . . A 22 LYS CA . 34817 1 202 . 1 . 1 22 22 LYS CB C 13 32.569 0.3 . 1 . . . . A 22 LYS CB . 34817 1 203 . 1 . 1 22 22 LYS CG C 13 24.959 0.3 . 1 . . . . A 22 LYS CG . 34817 1 204 . 1 . 1 22 22 LYS CD C 13 29.382 0.3 . 1 . . . . A 22 LYS CD . 34817 1 205 . 1 . 1 22 22 LYS CE C 13 42.106 0.3 . 1 . . . . A 22 LYS CE . 34817 1 206 . 1 . 1 22 22 LYS N N 15 116.729 0.3 . 1 . . . . A 22 LYS N . 34817 1 207 . 1 . 1 23 23 VAL H H 1 7.722 0.020 . 1 . . . . A 23 VAL H . 34817 1 208 . 1 . 1 23 23 VAL HA H 1 3.601 0.020 . 1 . . . . A 23 VAL HA . 34817 1 209 . 1 . 1 23 23 VAL HB H 1 2.279 0.020 . 1 . . . . A 23 VAL HB . 34817 1 210 . 1 . 1 23 23 VAL C C 13 176.376 0.3 . 1 . . . . A 23 VAL C . 34817 1 211 . 1 . 1 23 23 VAL CA C 13 66.133 0.3 . 1 . . . . A 23 VAL CA . 34817 1 212 . 1 . 1 23 23 VAL CB C 13 31.729 0.3 . 1 . . . . A 23 VAL CB . 34817 1 213 . 1 . 1 23 23 VAL CG1 C 13 23.746 0.3 . 1 . . . . A 23 VAL CG1 . 34817 1 214 . 1 . 1 23 23 VAL CG2 C 13 22.518 0.3 . 1 . . . . A 23 VAL CG2 . 34817 1 215 . 1 . 1 23 23 VAL N N 15 118.232 0.3 . 1 . . . . A 23 VAL N . 34817 1 216 . 1 . 1 24 24 ALA H H 1 8.289 0.020 . 1 . . . . A 24 ALA H . 34817 1 217 . 1 . 1 24 24 ALA HA H 1 3.985 0.020 . 1 . . . . A 24 ALA HA . 34817 1 218 . 1 . 1 24 24 ALA C C 13 178.936 0.3 . 1 . . . . A 24 ALA C . 34817 1 219 . 1 . 1 24 24 ALA CA C 13 55.382 0.3 . 1 . . . . A 24 ALA CA . 34817 1 220 . 1 . 1 24 24 ALA CB C 13 18.271 0.3 . 1 . . . . A 24 ALA CB . 34817 1 221 . 1 . 1 24 24 ALA N N 15 122.025 0.3 . 1 . . . . A 24 ALA N . 34817 1 222 . 1 . 1 25 25 ARG H H 1 8.133 0.020 . 1 . . . . A 25 ARG H . 34817 1 223 . 1 . 1 25 25 ARG HA H 1 4.115 0.020 . 1 . . . . A 25 ARG HA . 34817 1 224 . 1 . 1 25 25 ARG HB2 H 1 1.869 0.020 . 2 . . . . A 25 ARG HB2 . 34817 1 225 . 1 . 1 25 25 ARG HB3 H 1 2.134 0.020 . 2 . . . . A 25 ARG HB3 . 34817 1 226 . 1 . 1 25 25 ARG HG2 H 1 2.134 0.020 . 2 . . . . A 25 ARG HG2 . 34817 1 227 . 1 . 1 25 25 ARG HG3 H 1 1.869 0.020 . 2 . . . . A 25 ARG HG3 . 34817 1 228 . 1 . 1 25 25 ARG HD2 H 1 3.111 0.020 . 2 . . . . A 25 ARG HD2 . 34817 1 229 . 1 . 1 25 25 ARG HD3 H 1 3.337 0.020 . 2 . . . . A 25 ARG HD3 . 34817 1 230 . 1 . 1 25 25 ARG HE H 1 7.589 0.020 . 1 . . . . A 25 ARG HE . 34817 1 231 . 1 . 1 25 25 ARG C C 13 179.245 0.3 . 1 . . . . A 25 ARG C . 34817 1 232 . 1 . 1 25 25 ARG CA C 13 60.418 0.3 . 1 . . . . A 25 ARG CA . 34817 1 233 . 1 . 1 25 25 ARG CB C 13 29.537 0.3 . 1 . . . . A 25 ARG CB . 34817 1 234 . 1 . 1 25 25 ARG CG C 13 29.067 0.3 . 1 . . . . A 25 ARG CG . 34817 1 235 . 1 . 1 25 25 ARG CD C 13 42.803 0.3 . 1 . . . . A 25 ARG CD . 34817 1 236 . 1 . 1 25 25 ARG N N 15 114.505 0.3 . 1 . . . . A 25 ARG N . 34817 1 237 . 1 . 1 25 25 ARG NE N 15 84.338 0.3 . 1 . . . . A 25 ARG NE . 34817 1 238 . 1 . 1 26 26 ARG H H 1 7.605 0.020 . 1 . . . . A 26 ARG H . 34817 1 239 . 1 . 1 26 26 ARG HA H 1 4.223 0.020 . 1 . . . . A 26 ARG HA . 34817 1 240 . 1 . 1 26 26 ARG HB2 H 1 1.677 0.020 . 2 . . . . A 26 ARG HB2 . 34817 1 241 . 1 . 1 26 26 ARG HB3 H 1 1.710 0.020 . 2 . . . . A 26 ARG HB3 . 34817 1 242 . 1 . 1 26 26 ARG C C 13 177.456 0.3 . 1 . . . . A 26 ARG C . 34817 1 243 . 1 . 1 26 26 ARG CA C 13 56.967 0.3 . 1 . . . . A 26 ARG CA . 34817 1 244 . 1 . 1 26 26 ARG CB C 13 28.898 0.3 . 1 . . . . A 26 ARG CB . 34817 1 245 . 1 . 1 26 26 ARG CG C 13 27.141 0.3 . 1 . . . . A 26 ARG CG . 34817 1 246 . 1 . 1 26 26 ARG CD C 13 41.968 0.3 . 1 . . . . A 26 ARG CD . 34817 1 247 . 1 . 1 26 26 ARG N N 15 119.798 0.3 . 1 . . . . A 26 ARG N . 34817 1 248 . 1 . 1 27 27 ALA H H 1 8.748 0.020 . 1 . . . . A 27 ALA H . 34817 1 249 . 1 . 1 27 27 ALA HA H 1 3.582 0.020 . 1 . . . . A 27 ALA HA . 34817 1 250 . 1 . 1 27 27 ALA C C 13 179.430 0.3 . 1 . . . . A 27 ALA C . 34817 1 251 . 1 . 1 27 27 ALA CA C 13 55.212 0.3 . 1 . . . . A 27 ALA CA . 34817 1 252 . 1 . 1 27 27 ALA CB C 13 15.973 0.3 . 1 . . . . A 27 ALA CB . 34817 1 253 . 1 . 1 27 27 ALA N N 15 122.013 0.3 . 1 . . . . A 27 ALA N . 34817 1 254 . 1 . 1 28 28 LEU H H 1 7.610 0.020 . 1 . . . . A 28 LEU H . 34817 1 255 . 1 . 1 28 28 LEU HA H 1 4.023 0.020 . 1 . . . . A 28 LEU HA . 34817 1 256 . 1 . 1 28 28 LEU HB2 H 1 1.435 0.020 . 2 . . . . A 28 LEU HB2 . 34817 1 257 . 1 . 1 28 28 LEU HB3 H 1 0.883 0.020 . 2 . . . . A 28 LEU HB3 . 34817 1 258 . 1 . 1 28 28 LEU HG H 1 1.257 0.020 . 1 . . . . A 28 LEU HG . 34817 1 259 . 1 . 1 28 28 LEU C C 13 178.443 0.3 . 1 . . . . A 28 LEU C . 34817 1 260 . 1 . 1 28 28 LEU CA C 13 57.573 0.3 . 1 . . . . A 28 LEU CA . 34817 1 261 . 1 . 1 28 28 LEU CB C 13 40.342 0.3 . 1 . . . . A 28 LEU CB . 34817 1 262 . 1 . 1 28 28 LEU CG C 13 25.770 0.3 . 1 . . . . A 28 LEU CG . 34817 1 263 . 1 . 1 28 28 LEU CD1 C 13 23.015 0.3 . 1 . . . . A 28 LEU CD1 . 34817 1 264 . 1 . 1 28 28 LEU CD2 C 13 21.612 0.3 . 1 . . . . A 28 LEU CD2 . 34817 1 265 . 1 . 1 28 28 LEU N N 15 117.435 0.3 . 1 . . . . A 28 LEU N . 34817 1 266 . 1 . 1 29 29 GLU H H 1 6.993 0.020 . 1 . . . . A 29 GLU H . 34817 1 267 . 1 . 1 29 29 GLU HA H 1 4.023 0.020 . 1 . . . . A 29 GLU HA . 34817 1 268 . 1 . 1 29 29 GLU HG2 H 1 2.271 0.020 . 2 . . . . A 29 GLU HG2 . 34817 1 269 . 1 . 1 29 29 GLU HG3 H 1 2.657 0.020 . 2 . . . . A 29 GLU HG3 . 34817 1 270 . 1 . 1 29 29 GLU C C 13 178.535 0.3 . 1 . . . . A 29 GLU C . 34817 1 271 . 1 . 1 29 29 GLU CA C 13 58.260 0.3 . 1 . . . . A 29 GLU CA . 34817 1 272 . 1 . 1 29 29 GLU CB C 13 29.407 0.3 . 1 . . . . A 29 GLU CB . 34817 1 273 . 1 . 1 29 29 GLU CG C 13 35.638 0.3 . 1 . . . . A 29 GLU CG . 34817 1 274 . 1 . 1 29 29 GLU N N 15 114.644 0.3 . 1 . . . . A 29 GLU N . 34817 1 275 . 1 . 1 30 30 LEU H H 1 7.253 0.020 . 1 . . . . A 30 LEU H . 34817 1 276 . 1 . 1 30 30 LEU HA H 1 4.285 0.020 . 1 . . . . A 30 LEU HA . 34817 1 277 . 1 . 1 30 30 LEU HB2 H 1 1.491 0.020 . 2 . . . . A 30 LEU HB2 . 34817 1 278 . 1 . 1 30 30 LEU HB3 H 1 1.729 0.020 . 2 . . . . A 30 LEU HB3 . 34817 1 279 . 1 . 1 30 30 LEU HG H 1 1.644 0.020 . 1 . . . . A 30 LEU HG . 34817 1 280 . 1 . 1 30 30 LEU C C 13 177.641 0.3 . 1 . . . . A 30 LEU C . 34817 1 281 . 1 . 1 30 30 LEU CA C 13 54.879 0.3 . 1 . . . . A 30 LEU CA . 34817 1 282 . 1 . 1 30 30 LEU CB C 13 44.441 0.3 . 1 . . . . A 30 LEU CB . 34817 1 283 . 1 . 1 30 30 LEU CG C 13 25.883 0.3 . 1 . . . . A 30 LEU CG . 34817 1 284 . 1 . 1 30 30 LEU CD1 C 13 21.645 0.3 . 1 . . . . A 30 LEU CD1 . 34817 1 285 . 1 . 1 30 30 LEU CD2 C 13 21.645 0.3 . 1 . . . . A 30 LEU CD2 . 34817 1 286 . 1 . 1 30 30 LEU N N 15 117.098 0.3 . 1 . . . . A 30 LEU N . 34817 1 287 . 1 . 1 31 31 SER H H 1 7.661 0.020 . 1 . . . . A 31 SER H . 34817 1 288 . 1 . 1 31 31 SER HA H 1 4.529 0.020 . 1 . . . . A 31 SER HA . 34817 1 289 . 1 . 1 31 31 SER HB2 H 1 4.162 0.020 . 2 . . . . A 31 SER HB2 . 34817 1 290 . 1 . 1 31 31 SER HB3 H 1 4.101 0.020 . 2 . . . . A 31 SER HB3 . 34817 1 291 . 1 . 1 31 31 SER CA C 13 55.630 0.3 . 1 . . . . A 31 SER CA . 34817 1 292 . 1 . 1 31 31 SER CB C 13 65.370 0.3 . 1 . . . . A 31 SER CB . 34817 1 293 . 1 . 1 31 31 SER N N 15 115.967 0.3 . 1 . . . . A 31 SER N . 34817 1 294 . 1 . 1 32 32 PRO HA H 1 4.583 0.020 . 1 . . . . A 32 PRO HA . 34817 1 295 . 1 . 1 32 32 PRO HB2 H 1 1.472 0.020 . 2 . . . . A 32 PRO HB2 . 34817 1 296 . 1 . 1 32 32 PRO HB3 H 1 2.168 0.020 . 2 . . . . A 32 PRO HB3 . 34817 1 297 . 1 . 1 32 32 PRO HG2 H 1 2.113 0.020 . 2 . . . . A 32 PRO HG2 . 34817 1 298 . 1 . 1 32 32 PRO HG3 H 1 1.750 0.020 . 2 . . . . A 32 PRO HG3 . 34817 1 299 . 1 . 1 32 32 PRO C C 13 176.068 0.3 . 1 . . . . A 32 PRO C . 34817 1 300 . 1 . 1 32 32 PRO CA C 13 63.422 0.3 . 1 . . . . A 32 PRO CA . 34817 1 301 . 1 . 1 32 32 PRO CB C 13 31.236 0.3 . 1 . . . . A 32 PRO CB . 34817 1 302 . 1 . 1 32 32 PRO CG C 13 26.729 0.3 . 1 . . . . A 32 PRO CG . 34817 1 303 . 1 . 1 32 32 PRO CD C 13 50.521 0.3 . 1 . . . . A 32 PRO CD . 34817 1 304 . 1 . 1 33 33 TYR H H 1 7.616 0.020 . 1 . . . . A 33 TYR H . 34817 1 305 . 1 . 1 33 33 TYR HA H 1 4.734 0.020 . 1 . . . . A 33 TYR HA . 34817 1 306 . 1 . 1 33 33 TYR HB2 H 1 3.175 0.020 . 2 . . . . A 33 TYR HB2 . 34817 1 307 . 1 . 1 33 33 TYR HB3 H 1 2.197 0.020 . 2 . . . . A 33 TYR HB3 . 34817 1 308 . 1 . 1 33 33 TYR C C 13 174.896 0.3 . 1 . . . . A 33 TYR C . 34817 1 309 . 1 . 1 33 33 TYR CA C 13 56.255 0.3 . 1 . . . . A 33 TYR CA . 34817 1 310 . 1 . 1 33 33 TYR CB C 13 41.375 0.3 . 1 . . . . A 33 TYR CB . 34817 1 311 . 1 . 1 33 33 TYR CD1 C 13 133.506 0.3 . 1 . . . . A 33 TYR CD1 . 34817 1 312 . 1 . 1 33 33 TYR CD2 C 13 133.506 0.3 . 1 . . . . A 33 TYR CD2 . 34817 1 313 . 1 . 1 33 33 TYR CE1 C 13 117.799 0.3 . 1 . . . . A 33 TYR CE1 . 34817 1 314 . 1 . 1 33 33 TYR CE2 C 13 117.797 0.3 . 1 . . . . A 33 TYR CE2 . 34817 1 315 . 1 . 1 33 33 TYR N N 15 114.633 0.3 . 1 . . . . A 33 TYR N . 34817 1 316 . 1 . 1 34 34 ASP H H 1 8.661 0.020 . 1 . . . . A 34 ASP H . 34817 1 317 . 1 . 1 34 34 ASP HA H 1 3.495 0.020 . 1 . . . . A 34 ASP HA . 34817 1 318 . 1 . 1 34 34 ASP C C 13 174.279 0.3 . 1 . . . . A 34 ASP C . 34817 1 319 . 1 . 1 34 34 ASP CA C 13 52.511 0.3 . 1 . . . . A 34 ASP CA . 34817 1 320 . 1 . 1 34 34 ASP CB C 13 37.657 0.3 . 1 . . . . A 34 ASP CB . 34817 1 321 . 1 . 1 34 34 ASP N N 15 125.129 0.3 . 1 . . . . A 34 ASP N . 34817 1 322 . 1 . 1 35 35 PHE H H 1 7.220 0.020 . 1 . . . . A 35 PHE H . 34817 1 323 . 1 . 1 35 35 PHE HA H 1 5.141 0.020 . 1 . . . . A 35 PHE HA . 34817 1 324 . 1 . 1 35 35 PHE HB2 H 1 2.883 0.020 . 2 . . . . A 35 PHE HB2 . 34817 1 325 . 1 . 1 35 35 PHE HB3 H 1 2.765 0.020 . 2 . . . . A 35 PHE HB3 . 34817 1 326 . 1 . 1 35 35 PHE HZ H 1 7.185 0.020 . 1 . . . . A 35 PHE HZ . 34817 1 327 . 1 . 1 35 35 PHE C C 13 171.688 0.3 . 1 . . . . A 35 PHE C . 34817 1 328 . 1 . 1 35 35 PHE CA C 13 55.723 0.3 . 1 . . . . A 35 PHE CA . 34817 1 329 . 1 . 1 35 35 PHE CB C 13 40.822 0.3 . 1 . . . . A 35 PHE CB . 34817 1 330 . 1 . 1 35 35 PHE CD1 C 13 133.772 0.3 . 1 . . . . A 35 PHE CD1 . 34817 1 331 . 1 . 1 35 35 PHE CD2 C 13 133.776 0.3 . 1 . . . . A 35 PHE CD2 . 34817 1 332 . 1 . 1 35 35 PHE CE1 C 13 132.974 0.3 . 1 . . . . A 35 PHE CE1 . 34817 1 333 . 1 . 1 35 35 PHE CE2 C 13 132.974 0.3 . 1 . . . . A 35 PHE CE2 . 34817 1 334 . 1 . 1 35 35 PHE CZ C 13 130.051 0.3 . 1 . . . . A 35 PHE CZ . 34817 1 335 . 1 . 1 35 35 PHE N N 15 115.803 0.3 . 1 . . . . A 35 PHE N . 34817 1 336 . 1 . 1 36 36 THR H H 1 8.886 0.020 . 1 . . . . A 36 THR H . 34817 1 337 . 1 . 1 36 36 THR HA H 1 4.769 0.020 . 1 . . . . A 36 THR HA . 34817 1 338 . 1 . 1 36 36 THR HB H 1 3.805 0.020 . 1 . . . . A 36 THR HB . 34817 1 339 . 1 . 1 36 36 THR C C 13 173.631 0.3 . 1 . . . . A 36 THR C . 34817 1 340 . 1 . 1 36 36 THR CA C 13 58.558 0.3 . 1 . . . . A 36 THR CA . 34817 1 341 . 1 . 1 36 36 THR CB C 13 71.191 0.3 . 1 . . . . A 36 THR CB . 34817 1 342 . 1 . 1 36 36 THR CG2 C 13 20.912 0.3 . 1 . . . . A 36 THR CG2 . 34817 1 343 . 1 . 1 36 36 THR N N 15 113.110 0.3 . 1 . . . . A 36 THR N . 34817 1 344 . 1 . 1 37 37 ILE H H 1 8.482 0.020 . 1 . . . . A 37 ILE H . 34817 1 345 . 1 . 1 37 37 ILE HA H 1 4.683 0.020 . 1 . . . . A 37 ILE HA . 34817 1 346 . 1 . 1 37 37 ILE HB H 1 2.176 0.020 . 1 . . . . A 37 ILE HB . 34817 1 347 . 1 . 1 37 37 ILE HG12 H 1 1.404 0.020 . 2 . . . . A 37 ILE HG12 . 34817 1 348 . 1 . 1 37 37 ILE HG13 H 1 0.945 0.020 . 2 . . . . A 37 ILE HG13 . 34817 1 349 . 1 . 1 37 37 ILE C C 13 174.988 0.3 . 1 . . . . A 37 ILE C . 34817 1 350 . 1 . 1 37 37 ILE CA C 13 58.157 0.3 . 1 . . . . A 37 ILE CA . 34817 1 351 . 1 . 1 37 37 ILE CB C 13 34.613 0.3 . 1 . . . . A 37 ILE CB . 34817 1 352 . 1 . 1 37 37 ILE CG1 C 13 25.408 0.3 . 1 . . . . A 37 ILE CG1 . 34817 1 353 . 1 . 1 37 37 ILE CG2 C 13 17.085 0.3 . 1 . . . . A 37 ILE CG2 . 34817 1 354 . 1 . 1 37 37 ILE CD1 C 13 9.455 0.3 . 1 . . . . A 37 ILE CD1 . 34817 1 355 . 1 . 1 37 37 ILE N N 15 124.000 0.3 . 1 . . . . A 37 ILE N . 34817 1 356 . 1 . 1 38 38 VAL H H 1 8.699 0.020 . 1 . . . . A 38 VAL H . 34817 1 357 . 1 . 1 38 38 VAL HA H 1 4.022 0.020 . 1 . . . . A 38 VAL HA . 34817 1 358 . 1 . 1 38 38 VAL HB H 1 2.087 0.020 . 1 . . . . A 38 VAL HB . 34817 1 359 . 1 . 1 38 38 VAL C C 13 176.623 0.3 . 1 . . . . A 38 VAL C . 34817 1 360 . 1 . 1 38 38 VAL CA C 13 62.992 0.3 . 1 . . . . A 38 VAL CA . 34817 1 361 . 1 . 1 38 38 VAL CB C 13 32.687 0.3 . 1 . . . . A 38 VAL CB . 34817 1 362 . 1 . 1 38 38 VAL CG1 C 13 21.742 0.3 . 1 . . . . A 38 VAL CG1 . 34817 1 363 . 1 . 1 38 38 VAL CG2 C 13 20.963 0.3 . 1 . . . . A 38 VAL CG2 . 34817 1 364 . 1 . 1 38 38 VAL N N 15 124.169 0.3 . 1 . . . . A 38 VAL N . 34817 1 365 . 1 . 1 39 39 GLN H H 1 7.325 0.020 . 1 . . . . A 39 GLN H . 34817 1 366 . 1 . 1 39 39 GLN HA H 1 4.392 0.020 . 1 . . . . A 39 GLN HA . 34817 1 367 . 1 . 1 39 39 GLN HB2 H 1 2.024 0.020 . 2 . . . . A 39 GLN HB2 . 34817 1 368 . 1 . 1 39 39 GLN HB3 H 1 2.102 0.020 . 2 . . . . A 39 GLN HB3 . 34817 1 369 . 1 . 1 39 39 GLN HG2 H 1 2.092 0.020 . 2 . . . . A 39 GLN HG2 . 34817 1 370 . 1 . 1 39 39 GLN HG3 H 1 2.007 0.020 . 2 . . . . A 39 GLN HG3 . 34817 1 371 . 1 . 1 39 39 GLN C C 13 174.711 0.3 . 1 . . . . A 39 GLN C . 34817 1 372 . 1 . 1 39 39 GLN CA C 13 56.133 0.3 . 1 . . . . A 39 GLN CA . 34817 1 373 . 1 . 1 39 39 GLN CB C 13 33.132 0.3 . 1 . . . . A 39 GLN CB . 34817 1 374 . 1 . 1 39 39 GLN CG C 13 33.617 0.3 . 1 . . . . A 39 GLN CG . 34817 1 375 . 1 . 1 39 39 GLN N N 15 115.196 0.3 . 1 . . . . A 39 GLN N . 34817 1 376 . 1 . 1 40 40 GLY H H 1 8.849 0.020 . 1 . . . . A 40 GLY H . 34817 1 377 . 1 . 1 40 40 GLY HA2 H 1 4.793 0.020 . 2 . . . . A 40 GLY HA2 . 34817 1 378 . 1 . 1 40 40 GLY HA3 H 1 3.370 0.020 . 2 . . . . A 40 GLY HA3 . 34817 1 379 . 1 . 1 40 40 GLY C C 13 172.922 0.3 . 1 . . . . A 40 GLY C . 34817 1 380 . 1 . 1 40 40 GLY CA C 13 45.318 0.3 . 1 . . . . A 40 GLY CA . 34817 1 381 . 1 . 1 40 40 GLY N N 15 116.063 0.3 . 1 . . . . A 40 GLY N . 34817 1 382 . 1 . 1 41 41 ILE H H 1 8.753 0.020 . 1 . . . . A 41 ILE H . 34817 1 383 . 1 . 1 41 41 ILE HA H 1 4.715 0.020 . 1 . . . . A 41 ILE HA . 34817 1 384 . 1 . 1 41 41 ILE HB H 1 1.880 0.020 . 1 . . . . A 41 ILE HB . 34817 1 385 . 1 . 1 41 41 ILE HG12 H 1 1.423 0.020 . 2 . . . . A 41 ILE HG12 . 34817 1 386 . 1 . 1 41 41 ILE HG13 H 1 1.674 0.020 . 2 . . . . A 41 ILE HG13 . 34817 1 387 . 1 . 1 41 41 ILE C C 13 174.711 0.3 . 1 . . . . A 41 ILE C . 34817 1 388 . 1 . 1 41 41 ILE CA C 13 61.241 0.3 . 1 . . . . A 41 ILE CA . 34817 1 389 . 1 . 1 41 41 ILE CB C 13 38.925 0.3 . 1 . . . . A 41 ILE CB . 34817 1 390 . 1 . 1 41 41 ILE CG1 C 13 29.394 0.3 . 1 . . . . A 41 ILE CG1 . 34817 1 391 . 1 . 1 41 41 ILE CG2 C 13 17.365 0.3 . 1 . . . . A 41 ILE CG2 . 34817 1 392 . 1 . 1 41 41 ILE CD1 C 13 13.590 0.3 . 1 . . . . A 41 ILE CD1 . 34817 1 393 . 1 . 1 41 41 ILE N N 15 132.385 0.3 . 1 . . . . A 41 ILE N . 34817 1 394 . 1 . 1 42 42 ARG H H 1 7.197 0.020 . 1 . . . . A 42 ARG H . 34817 1 395 . 1 . 1 42 42 ARG HA H 1 4.714 0.020 . 1 . . . . A 42 ARG HA . 34817 1 396 . 1 . 1 42 42 ARG HB2 H 1 1.663 0.020 . 2 . . . . A 42 ARG HB2 . 34817 1 397 . 1 . 1 42 42 ARG HB3 H 1 1.480 0.020 . 2 . . . . A 42 ARG HB3 . 34817 1 398 . 1 . 1 42 42 ARG HD2 H 1 2.984 0.020 . 2 . . . . A 42 ARG HD2 . 34817 1 399 . 1 . 1 42 42 ARG HD3 H 1 2.900 0.020 . 2 . . . . A 42 ARG HD3 . 34817 1 400 . 1 . 1 42 42 ARG C C 13 175.081 0.3 . 1 . . . . A 42 ARG C . 34817 1 401 . 1 . 1 42 42 ARG CA C 13 54.696 0.3 . 1 . . . . A 42 ARG CA . 34817 1 402 . 1 . 1 42 42 ARG CB C 13 33.391 0.3 . 1 . . . . A 42 ARG CB . 34817 1 403 . 1 . 1 42 42 ARG CG C 13 27.026 0.3 . 1 . . . . A 42 ARG CG . 34817 1 404 . 1 . 1 42 42 ARG CD C 13 43.238 0.3 . 1 . . . . A 42 ARG CD . 34817 1 405 . 1 . 1 42 42 ARG N N 15 123.165 0.3 . 1 . . . . A 42 ARG N . 34817 1 406 . 1 . 1 43 43 THR H H 1 8.510 0.020 . 1 . . . . A 43 THR H . 34817 1 407 . 1 . 1 43 43 THR HA H 1 4.544 0.020 . 1 . . . . A 43 THR HA . 34817 1 408 . 1 . 1 43 43 THR HB H 1 4.424 0.020 . 1 . . . . A 43 THR HB . 34817 1 409 . 1 . 1 43 43 THR C C 13 174.927 0.3 . 1 . . . . A 43 THR C . 34817 1 410 . 1 . 1 43 43 THR CA C 13 60.950 0.3 . 1 . . . . A 43 THR CA . 34817 1 411 . 1 . 1 43 43 THR CB C 13 70.501 0.3 . 1 . . . . A 43 THR CB . 34817 1 412 . 1 . 1 43 43 THR CG2 C 13 21.557 0.3 . 1 . . . . A 43 THR CG2 . 34817 1 413 . 1 . 1 43 43 THR N N 15 115.481 0.3 . 1 . . . . A 43 THR N . 34817 1 414 . 1 . 1 44 44 VAL H H 1 8.504 0.020 . 1 . . . . A 44 VAL H . 34817 1 415 . 1 . 1 44 44 VAL HA H 1 3.956 0.020 . 1 . . . . A 44 VAL HA . 34817 1 416 . 1 . 1 44 44 VAL HB H 1 2.088 0.020 . 1 . . . . A 44 VAL HB . 34817 1 417 . 1 . 1 44 44 VAL C C 13 176.561 0.3 . 1 . . . . A 44 VAL C . 34817 1 418 . 1 . 1 44 44 VAL CA C 13 63.864 0.3 . 1 . . . . A 44 VAL CA . 34817 1 419 . 1 . 1 44 44 VAL CB C 13 32.313 0.3 . 1 . . . . A 44 VAL CB . 34817 1 420 . 1 . 1 44 44 VAL CG1 C 13 20.909 0.3 . 1 . . . . A 44 VAL CG1 . 34817 1 421 . 1 . 1 44 44 VAL CG2 C 13 20.909 0.3 . 1 . . . . A 44 VAL CG2 . 34817 1 422 . 1 . 1 44 44 VAL N N 15 121.458 0.3 . 1 . . . . A 44 VAL N . 34817 1 423 . 1 . 1 45 45 ALA H H 1 8.285 0.020 . 1 . . . . A 45 ALA H . 34817 1 424 . 1 . 1 45 45 ALA HA H 1 4.251 0.020 . 1 . . . . A 45 ALA HA . 34817 1 425 . 1 . 1 45 45 ALA C C 13 178.350 0.3 . 1 . . . . A 45 ALA C . 34817 1 426 . 1 . 1 45 45 ALA CA C 13 53.269 0.3 . 1 . . . . A 45 ALA CA . 34817 1 427 . 1 . 1 45 45 ALA CB C 13 18.687 0.3 . 1 . . . . A 45 ALA CB . 34817 1 428 . 1 . 1 45 45 ALA N N 15 125.156 0.3 . 1 . . . . A 45 ALA N . 34817 1 429 . 1 . 1 46 46 GLN H H 1 8.086 0.020 . 1 . . . . A 46 GLN H . 34817 1 430 . 1 . 1 46 46 GLN HA H 1 4.232 0.020 . 1 . . . . A 46 GLN HA . 34817 1 431 . 1 . 1 46 46 GLN HB2 H 1 1.991 0.020 . 2 . . . . A 46 GLN HB2 . 34817 1 432 . 1 . 1 46 46 GLN HB3 H 1 2.070 0.020 . 2 . . . . A 46 GLN HB3 . 34817 1 433 . 1 . 1 46 46 GLN HG2 H 1 2.377 0.020 . 2 . . . . A 46 GLN HG2 . 34817 1 434 . 1 . 1 46 46 GLN HG3 H 1 2.352 0.020 . 2 . . . . A 46 GLN HG3 . 34817 1 435 . 1 . 1 46 46 GLN C C 13 176.808 0.3 . 1 . . . . A 46 GLN C . 34817 1 436 . 1 . 1 46 46 GLN CA C 13 56.713 0.3 . 1 . . . . A 46 GLN CA . 34817 1 437 . 1 . 1 46 46 GLN CB C 13 29.146 0.3 . 1 . . . . A 46 GLN CB . 34817 1 438 . 1 . 1 46 46 GLN CG C 13 33.677 0.3 . 1 . . . . A 46 GLN CG . 34817 1 439 . 1 . 1 46 46 GLN N N 15 118.285 0.3 . 1 . . . . A 46 GLN N . 34817 1 440 . 1 . 1 47 47 SER H H 1 8.191 0.020 . 1 . . . . A 47 SER H . 34817 1 441 . 1 . 1 47 47 SER HA H 1 4.361 0.020 . 1 . . . . A 47 SER HA . 34817 1 442 . 1 . 1 47 47 SER HB2 H 1 3.918 0.020 . 2 . . . . A 47 SER HB2 . 34817 1 443 . 1 . 1 47 47 SER HB3 H 1 3.854 0.020 . 2 . . . . A 47 SER HB3 . 34817 1 444 . 1 . 1 47 47 SER C C 13 174.557 0.3 . 1 . . . . A 47 SER C . 34817 1 445 . 1 . 1 47 47 SER CA C 13 58.990 0.3 . 1 . . . . A 47 SER CA . 34817 1 446 . 1 . 1 47 47 SER CB C 13 63.837 0.3 . 1 . . . . A 47 SER CB . 34817 1 447 . 1 . 1 47 47 SER N N 15 116.182 0.3 . 1 . . . . A 47 SER N . 34817 1 448 . 1 . 1 48 48 ALA H H 1 8.307 0.020 . 1 . . . . A 48 ALA H . 34817 1 449 . 1 . 1 48 48 ALA HA H 1 4.220 0.020 . 1 . . . . A 48 ALA HA . 34817 1 450 . 1 . 1 48 48 ALA C C 13 178.474 0.3 . 1 . . . . A 48 ALA C . 34817 1 451 . 1 . 1 48 48 ALA CA C 13 53.296 0.3 . 1 . . . . A 48 ALA CA . 34817 1 452 . 1 . 1 48 48 ALA CB C 13 18.676 0.3 . 1 . . . . A 48 ALA CB . 34817 1 453 . 1 . 1 48 48 ALA N N 15 124.628 0.3 . 1 . . . . A 48 ALA N . 34817 1 454 . 1 . 1 49 49 GLN H H 1 8.092 0.020 . 1 . . . . A 49 GLN H . 34817 1 455 . 1 . 1 49 49 GLN HA H 1 4.232 0.020 . 1 . . . . A 49 GLN HA . 34817 1 456 . 1 . 1 49 49 GLN HB2 H 1 1.982 0.020 . 2 . . . . A 49 GLN HB2 . 34817 1 457 . 1 . 1 49 49 GLN HB3 H 1 2.075 0.020 . 2 . . . . A 49 GLN HB3 . 34817 1 458 . 1 . 1 49 49 GLN HE21 H 1 7.708 0.020 . 1 . . . . A 49 GLN HE21 . 34817 1 459 . 1 . 1 49 49 GLN HE22 H 1 6.742 0.020 . 1 . . . . A 49 GLN HE22 . 34817 1 460 . 1 . 1 49 49 GLN C C 13 176.037 0.3 . 1 . . . . A 49 GLN C . 34817 1 461 . 1 . 1 49 49 GLN CA C 13 56.567 0.3 . 1 . . . . A 49 GLN CA . 34817 1 462 . 1 . 1 49 49 GLN CB C 13 29.077 0.3 . 1 . . . . A 49 GLN CB . 34817 1 463 . 1 . 1 49 49 GLN CG C 13 33.927 0.3 . 1 . . . . A 49 GLN CG . 34817 1 464 . 1 . 1 49 49 GLN N N 15 119.081 0.3 . 1 . . . . A 49 GLN N . 34817 1 465 . 1 . 1 49 49 GLN NE2 N 15 111.753 0.3 . 1 . . . . A 49 GLN NE2 . 34817 1 466 . 1 . 1 50 50 ASN H H 1 8.181 0.020 . 1 . . . . A 50 ASN H . 34817 1 467 . 1 . 1 50 50 ASN HA H 1 4.650 0.020 . 1 . . . . A 50 ASN HA . 34817 1 468 . 1 . 1 50 50 ASN HD21 H 1 6.765 0.020 . 1 . . . . A 50 ASN HD21 . 34817 1 469 . 1 . 1 50 50 ASN HD22 H 1 7.659 0.020 . 1 . . . . A 50 ASN HD22 . 34817 1 470 . 1 . 1 50 50 ASN C C 13 175.543 0.3 . 1 . . . . A 50 ASN C . 34817 1 471 . 1 . 1 50 50 ASN CA C 13 53.564 0.3 . 1 . . . . A 50 ASN CA . 34817 1 472 . 1 . 1 50 50 ASN CB C 13 38.414 0.3 . 1 . . . . A 50 ASN CB . 34817 1 473 . 1 . 1 50 50 ASN N N 15 119.153 0.3 . 1 . . . . A 50 ASN N . 34817 1 474 . 1 . 1 50 50 ASN ND2 N 15 113.122 0.3 . 1 . . . . A 50 ASN ND2 . 34817 1 475 . 1 . 1 51 51 ILE H H 1 7.935 0.020 . 1 . . . . A 51 ILE H . 34817 1 476 . 1 . 1 51 51 ILE HA H 1 4.087 0.020 . 1 . . . . A 51 ILE HA . 34817 1 477 . 1 . 1 51 51 ILE HB H 1 1.846 0.020 . 1 . . . . A 51 ILE HB . 34817 1 478 . 1 . 1 51 51 ILE HG12 H 1 1.431 0.020 . 2 . . . . A 51 ILE HG12 . 34817 1 479 . 1 . 1 51 51 ILE HG13 H 1 1.108 0.020 . 2 . . . . A 51 ILE HG13 . 34817 1 480 . 1 . 1 51 51 ILE C C 13 176.623 0.3 . 1 . . . . A 51 ILE C . 34817 1 481 . 1 . 1 51 51 ILE CA C 13 61.880 0.3 . 1 . . . . A 51 ILE CA . 34817 1 482 . 1 . 1 51 51 ILE CB C 13 38.551 0.3 . 1 . . . . A 51 ILE CB . 34817 1 483 . 1 . 1 51 51 ILE CG1 C 13 27.277 0.3 . 1 . . . . A 51 ILE CG1 . 34817 1 484 . 1 . 1 51 51 ILE CG2 C 13 17.161 0.3 . 1 . . . . A 51 ILE CG2 . 34817 1 485 . 1 . 1 51 51 ILE CD1 C 13 12.904 0.3 . 1 . . . . A 51 ILE CD1 . 34817 1 486 . 1 . 1 51 51 ILE N N 15 120.694 0.3 . 1 . . . . A 51 ILE N . 34817 1 487 . 1 . 1 52 52 ALA H H 1 8.235 0.020 . 1 . . . . A 52 ALA H . 34817 1 488 . 1 . 1 52 52 ALA HA H 1 4.230 0.020 . 1 . . . . A 52 ALA HA . 34817 1 489 . 1 . 1 52 52 ALA C C 13 177.826 0.3 . 1 . . . . A 52 ALA C . 34817 1 490 . 1 . 1 52 52 ALA CA C 13 53.153 0.3 . 1 . . . . A 52 ALA CA . 34817 1 491 . 1 . 1 52 52 ALA CB C 13 18.557 0.3 . 1 . . . . A 52 ALA CB . 34817 1 492 . 1 . 1 52 52 ALA N N 15 126.473 0.3 . 1 . . . . A 52 ALA N . 34817 1 493 . 1 . 1 53 53 ASN H H 1 8.214 0.020 . 1 . . . . A 53 ASN H . 34817 1 494 . 1 . 1 53 53 ASN HA H 1 4.656 0.020 . 1 . . . . A 53 ASN HA . 34817 1 495 . 1 . 1 53 53 ASN C C 13 175.821 0.3 . 1 . . . . A 53 ASN C . 34817 1 496 . 1 . 1 53 53 ASN CA C 13 53.340 0.3 . 1 . . . . A 53 ASN CA . 34817 1 497 . 1 . 1 53 53 ASN CB C 13 38.598 0.3 . 1 . . . . A 53 ASN CB . 34817 1 498 . 1 . 1 53 53 ASN N N 15 116.815 0.3 . 1 . . . . A 53 ASN N . 34817 1 499 . 1 . 1 54 54 GLY H H 1 8.156 0.020 . 1 . . . . A 54 GLY H . 34817 1 500 . 1 . 1 54 54 GLY HA2 H 1 3.912 0.020 . 2 . . . . A 54 GLY HA2 . 34817 1 501 . 1 . 1 54 54 GLY HA3 H 1 4.000 0.020 . 2 . . . . A 54 GLY HA3 . 34817 1 502 . 1 . 1 54 54 GLY C C 13 174.495 0.3 . 1 . . . . A 54 GLY C . 34817 1 503 . 1 . 1 54 54 GLY CA C 13 45.722 0.3 . 1 . . . . A 54 GLY CA . 34817 1 504 . 1 . 1 54 54 GLY N N 15 108.494 0.3 . 1 . . . . A 54 GLY N . 34817 1 505 . 1 . 1 55 55 THR H H 1 7.987 0.020 . 1 . . . . A 55 THR H . 34817 1 506 . 1 . 1 55 55 THR HA H 1 4.269 0.020 . 1 . . . . A 55 THR HA . 34817 1 507 . 1 . 1 55 55 THR HB H 1 4.176 0.020 . 1 . . . . A 55 THR HB . 34817 1 508 . 1 . 1 55 55 THR C C 13 174.618 0.3 . 1 . . . . A 55 THR C . 34817 1 509 . 1 . 1 55 55 THR CA C 13 62.173 0.3 . 1 . . . . A 55 THR CA . 34817 1 510 . 1 . 1 55 55 THR CB C 13 69.658 0.3 . 1 . . . . A 55 THR CB . 34817 1 511 . 1 . 1 55 55 THR CG2 C 13 21.407 0.3 . 1 . . . . A 55 THR CG2 . 34817 1 512 . 1 . 1 55 55 THR N N 15 112.542 0.3 . 1 . . . . A 55 THR N . 34817 1 513 . 1 . 1 56 56 SER H H 1 8.009 0.020 . 1 . . . . A 56 SER H . 34817 1 514 . 1 . 1 56 56 SER HA H 1 4.312 0.020 . 1 . . . . A 56 SER HA . 34817 1 515 . 1 . 1 56 56 SER HB2 H 1 3.735 0.020 . 2 . . . . A 56 SER HB2 . 34817 1 516 . 1 . 1 56 56 SER HB3 H 1 3.628 0.020 . 2 . . . . A 56 SER HB3 . 34817 1 517 . 1 . 1 56 56 SER C C 13 174.557 0.3 . 1 . . . . A 56 SER C . 34817 1 518 . 1 . 1 56 56 SER CA C 13 58.499 0.3 . 1 . . . . A 56 SER CA . 34817 1 519 . 1 . 1 56 56 SER CB C 13 63.711 0.3 . 1 . . . . A 56 SER CB . 34817 1 520 . 1 . 1 56 56 SER N N 15 116.918 0.3 . 1 . . . . A 56 SER N . 34817 1 521 . 1 . 1 57 57 PHE H H 1 8.074 0.020 . 1 . . . . A 57 PHE H . 34817 1 522 . 1 . 1 57 57 PHE HA H 1 4.564 0.020 . 1 . . . . A 57 PHE HA . 34817 1 523 . 1 . 1 57 57 PHE HB2 H 1 3.063 0.020 . 2 . . . . A 57 PHE HB2 . 34817 1 524 . 1 . 1 57 57 PHE HB3 H 1 2.966 0.020 . 2 . . . . A 57 PHE HB3 . 34817 1 525 . 1 . 1 57 57 PHE HZ H 1 7.371 0.020 . 1 . . . . A 57 PHE HZ . 34817 1 526 . 1 . 1 57 57 PHE C C 13 175.698 0.3 . 1 . . . . A 57 PHE C . 34817 1 527 . 1 . 1 57 57 PHE CA C 13 57.776 0.3 . 1 . . . . A 57 PHE CA . 34817 1 528 . 1 . 1 57 57 PHE CB C 13 39.004 0.3 . 1 . . . . A 57 PHE CB . 34817 1 529 . 1 . 1 57 57 PHE CD1 C 13 132.190 0.3 . 1 . . . . A 57 PHE CD1 . 34817 1 530 . 1 . 1 57 57 PHE CD2 C 13 132.190 0.3 . 1 . . . . A 57 PHE CD2 . 34817 1 531 . 1 . 1 57 57 PHE CE1 C 13 131.652 0.3 . 1 . . . . A 57 PHE CE1 . 34817 1 532 . 1 . 1 57 57 PHE CE2 C 13 131.652 0.3 . 1 . . . . A 57 PHE CE2 . 34817 1 533 . 1 . 1 57 57 PHE CZ C 13 129.910 0.3 . 1 . . . . A 57 PHE CZ . 34817 1 534 . 1 . 1 57 57 PHE N N 15 121.967 0.3 . 1 . . . . A 57 PHE N . 34817 1 535 . 1 . 1 58 58 LEU H H 1 7.782 0.020 . 1 . . . . A 58 LEU H . 34817 1 536 . 1 . 1 58 58 LEU HA H 1 4.133 0.020 . 1 . . . . A 58 LEU HA . 34817 1 537 . 1 . 1 58 58 LEU HB2 H 1 1.501 0.020 . 2 . . . . A 58 LEU HB2 . 34817 1 538 . 1 . 1 58 58 LEU HB3 H 1 1.414 0.020 . 2 . . . . A 58 LEU HB3 . 34817 1 539 . 1 . 1 58 58 LEU HG H 1 1.432 0.020 . 1 . . . . A 58 LEU HG . 34817 1 540 . 1 . 1 58 58 LEU C C 13 176.993 0.3 . 1 . . . . A 58 LEU C . 34817 1 541 . 1 . 1 58 58 LEU CA C 13 55.405 0.3 . 1 . . . . A 58 LEU CA . 34817 1 542 . 1 . 1 58 58 LEU CB C 13 42.218 0.3 . 1 . . . . A 58 LEU CB . 34817 1 543 . 1 . 1 58 58 LEU CG C 13 26.516 0.3 . 1 . . . . A 58 LEU CG . 34817 1 544 . 1 . 1 58 58 LEU CD1 C 13 24.732 0.3 . 1 . . . . A 58 LEU CD1 . 34817 1 545 . 1 . 1 58 58 LEU CD2 C 13 23.249 0.3 . 1 . . . . A 58 LEU CD2 . 34817 1 546 . 1 . 1 58 58 LEU N N 15 121.593 0.3 . 1 . . . . A 58 LEU N . 34817 1 547 . 1 . 1 59 59 LYS H H 1 8.034 0.020 . 1 . . . . A 59 LYS H . 34817 1 548 . 1 . 1 59 59 LYS HA H 1 4.222 0.020 . 1 . . . . A 59 LYS HA . 34817 1 549 . 1 . 1 59 59 LYS HB2 H 1 1.772 0.020 . 2 . . . . A 59 LYS HB2 . 34817 1 550 . 1 . 1 59 59 LYS HB3 H 1 1.658 0.020 . 2 . . . . A 59 LYS HB3 . 34817 1 551 . 1 . 1 59 59 LYS C C 13 175.698 0.3 . 1 . . . . A 59 LYS C . 34817 1 552 . 1 . 1 59 59 LYS CA C 13 55.931 0.3 . 1 . . . . A 59 LYS CA . 34817 1 553 . 1 . 1 59 59 LYS CB C 13 32.522 0.3 . 1 . . . . A 59 LYS CB . 34817 1 554 . 1 . 1 59 59 LYS CG C 13 24.749 0.3 . 1 . . . . A 59 LYS CG . 34817 1 555 . 1 . 1 59 59 LYS CD C 13 29.105 0.3 . 1 . . . . A 59 LYS CD . 34817 1 556 . 1 . 1 59 59 LYS CE C 13 42.172 0.3 . 1 . . . . A 59 LYS CE . 34817 1 557 . 1 . 1 59 59 LYS N N 15 119.934 0.3 . 1 . . . . A 59 LYS N . 34817 1 558 . 1 . 1 60 60 ASP H H 1 7.790 0.020 . 1 . . . . A 60 ASP H . 34817 1 559 . 1 . 1 60 60 ASP HA H 1 4.353 0.020 . 1 . . . . A 60 ASP HA . 34817 1 560 . 1 . 1 60 60 ASP HB2 H 1 3.032 0.020 . 2 . . . . A 60 ASP HB2 . 34817 1 561 . 1 . 1 60 60 ASP HB3 H 1 2.981 0.020 . 2 . . . . A 60 ASP HB3 . 34817 1 562 . 1 . 1 60 60 ASP CA C 13 57.768 0.3 . 1 . . . . A 60 ASP CA . 34817 1 563 . 1 . 1 60 60 ASP CB C 13 42.462 0.3 . 1 . . . . A 60 ASP CB . 34817 1 564 . 1 . 1 60 60 ASP N N 15 121.077 0.3 . 1 . . . . A 60 ASP N . 34817 1 565 . 1 . 1 61 61 PRO HA H 1 4.217 0.020 . 1 . . . . A 61 PRO HA . 34817 1 566 . 1 . 1 61 61 PRO HB2 H 1 1.664 0.020 . 2 . . . . A 61 PRO HB2 . 34817 1 567 . 1 . 1 61 61 PRO HB3 H 1 1.752 0.020 . 2 . . . . A 61 PRO HB3 . 34817 1 568 . 1 . 1 61 61 PRO HG2 H 1 1.584 0.020 . 2 . . . . A 61 PRO HG2 . 34817 1 569 . 1 . 1 61 61 PRO HG3 H 1 0.971 0.020 . 2 . . . . A 61 PRO HG3 . 34817 1 570 . 1 . 1 61 61 PRO HD2 H 1 3.716 0.020 . 2 . . . . A 61 PRO HD2 . 34817 1 571 . 1 . 1 61 61 PRO HD3 H 1 3.972 0.020 . 2 . . . . A 61 PRO HD3 . 34817 1 572 . 1 . 1 61 61 PRO CA C 13 62.030 0.3 . 1 . . . . A 61 PRO CA . 34817 1 573 . 1 . 1 61 61 PRO CB C 13 31.949 0.3 . 1 . . . . A 61 PRO CB . 34817 1 574 . 1 . 1 61 61 PRO CG C 13 26.492 0.3 . 1 . . . . A 61 PRO CG . 34817 1 575 . 1 . 1 61 61 PRO CD C 13 50.058 0.3 . 1 . . . . A 61 PRO CD . 34817 1 576 . 1 . 1 63 63 LYS H H 1 8.219 0.020 . 1 . . . . A 63 LYS H . 34817 1 577 . 1 . 1 63 63 LYS HA H 1 4.433 0.020 . 1 . . . . A 63 LYS HA . 34817 1 578 . 1 . 1 63 63 LYS HB2 H 1 1.624 0.020 . 2 . . . . A 63 LYS HB2 . 34817 1 579 . 1 . 1 63 63 LYS HB3 H 1 1.721 0.020 . 2 . . . . A 63 LYS HB3 . 34817 1 580 . 1 . 1 63 63 LYS HG2 H 1 1.587 0.020 . 2 . . . . A 63 LYS HG2 . 34817 1 581 . 1 . 1 63 63 LYS HG3 H 1 1.743 0.020 . 2 . . . . A 63 LYS HG3 . 34817 1 582 . 1 . 1 63 63 LYS HD2 H 1 1.656 0.020 . 2 . . . . A 63 LYS HD2 . 34817 1 583 . 1 . 1 63 63 LYS HD3 H 1 2.226 0.020 . 2 . . . . A 63 LYS HD3 . 34817 1 584 . 1 . 1 63 63 LYS HE2 H 1 3.082 0.020 . 2 . . . . A 63 LYS HE2 . 34817 1 585 . 1 . 1 63 63 LYS HE3 H 1 3.128 0.020 . 2 . . . . A 63 LYS HE3 . 34817 1 586 . 1 . 1 63 63 LYS C C 13 176.129 0.3 . 1 . . . . A 63 LYS C . 34817 1 587 . 1 . 1 63 63 LYS CA C 13 55.938 0.3 . 1 . . . . A 63 LYS CA . 34817 1 588 . 1 . 1 63 63 LYS CB C 13 28.897 0.3 . 1 . . . . A 63 LYS CB . 34817 1 589 . 1 . 1 63 63 LYS CG C 13 26.225 0.3 . 1 . . . . A 63 LYS CG . 34817 1 590 . 1 . 1 63 63 LYS CD C 13 31.968 0.3 . 1 . . . . A 63 LYS CD . 34817 1 591 . 1 . 1 63 63 LYS CE C 13 42.142 0.3 . 1 . . . . A 63 LYS CE . 34817 1 592 . 1 . 1 63 63 LYS N N 15 117.611 0.3 . 1 . . . . A 63 LYS N . 34817 1 593 . 1 . 1 64 64 SER H H 1 8.280 0.020 . 1 . . . . A 64 SER H . 34817 1 594 . 1 . 1 64 64 SER HA H 1 4.361 0.020 . 1 . . . . A 64 SER HA . 34817 1 595 . 1 . 1 64 64 SER C C 13 174.464 0.3 . 1 . . . . A 64 SER C . 34817 1 596 . 1 . 1 64 64 SER CA C 13 58.297 0.3 . 1 . . . . A 64 SER CA . 34817 1 597 . 1 . 1 64 64 SER CB C 13 63.830 0.3 . 1 . . . . A 64 SER CB . 34817 1 598 . 1 . 1 64 64 SER N N 15 116.765 0.3 . 1 . . . . A 64 SER N . 34817 1 599 . 1 . 1 65 65 LYS H H 1 8.305 0.020 . 1 . . . . A 65 LYS H . 34817 1 600 . 1 . 1 65 65 LYS HA H 1 4.483 0.020 . 1 . . . . A 65 LYS HA . 34817 1 601 . 1 . 1 65 65 LYS HB2 H 1 1.785 0.020 . 2 . . . . A 65 LYS HB2 . 34817 1 602 . 1 . 1 65 65 LYS HB3 H 1 1.669 0.020 . 2 . . . . A 65 LYS HB3 . 34817 1 603 . 1 . 1 65 65 LYS CA C 13 53.197 0.3 . 1 . . . . A 65 LYS CA . 34817 1 604 . 1 . 1 65 65 LYS CB C 13 33.140 0.3 . 1 . . . . A 65 LYS CB . 34817 1 605 . 1 . 1 65 65 LYS CG C 13 24.595 0.3 . 1 . . . . A 65 LYS CG . 34817 1 606 . 1 . 1 65 65 LYS CD C 13 28.743 0.3 . 1 . . . . A 65 LYS CD . 34817 1 607 . 1 . 1 65 65 LYS CE C 13 42.000 0.3 . 1 . . . . A 65 LYS CE . 34817 1 608 . 1 . 1 65 65 LYS N N 15 125.412 0.3 . 1 . . . . A 65 LYS N . 34817 1 609 . 1 . 1 66 66 HIS H H 1 9.005 0.020 . 1 . . . . A 66 HIS H . 34817 1 610 . 1 . 1 66 66 HIS HA H 1 4.551 0.020 . 1 . . . . A 66 HIS HA . 34817 1 611 . 1 . 1 66 66 HIS HB2 H 1 3.208 0.020 . 2 . . . . A 66 HIS HB2 . 34817 1 612 . 1 . 1 66 66 HIS HB3 H 1 3.270 0.020 . 2 . . . . A 66 HIS HB3 . 34817 1 613 . 1 . 1 66 66 HIS HD1 H 1 12.624 0.020 . 1 . . . . A 66 HIS HD1 . 34817 1 614 . 1 . 1 66 66 HIS HD2 H 1 7.300 0.020 . 1 . . . . A 66 HIS HD2 . 34817 1 615 . 1 . 1 66 66 HIS HE1 H 1 7.212 0.020 . 1 . . . . A 66 HIS HE1 . 34817 1 616 . 1 . 1 66 66 HIS C C 13 178.697 0.3 . 1 . . . . A 66 HIS C . 34817 1 617 . 1 . 1 66 66 HIS CA C 13 59.204 0.3 . 1 . . . . A 66 HIS CA . 34817 1 618 . 1 . 1 66 66 HIS CB C 13 28.212 0.3 . 1 . . . . A 66 HIS CB . 34817 1 619 . 1 . 1 66 66 HIS CD2 C 13 119.564 0.3 . 1 . . . . A 66 HIS CD2 . 34817 1 620 . 1 . 1 66 66 HIS CE1 C 13 138.633 0.3 . 1 . . . . A 66 HIS CE1 . 34817 1 621 . 1 . 1 66 66 HIS N N 15 122.001 0.3 . 1 . . . . A 66 HIS N . 34817 1 622 . 1 . 1 66 66 HIS ND1 N 15 172.628 0.3 . 1 . . . . A 66 HIS ND1 . 34817 1 623 . 1 . 1 67 67 ILE H H 1 7.846 0.020 . 1 . . . . A 67 ILE H . 34817 1 624 . 1 . 1 67 67 ILE HA H 1 4.376 0.020 . 1 . . . . A 67 ILE HA . 34817 1 625 . 1 . 1 67 67 ILE HB H 1 2.188 0.020 . 1 . . . . A 67 ILE HB . 34817 1 626 . 1 . 1 67 67 ILE HG12 H 1 1.691 0.020 . 2 . . . . A 67 ILE HG12 . 34817 1 627 . 1 . 1 67 67 ILE HG13 H 1 1.323 0.020 . 2 . . . . A 67 ILE HG13 . 34817 1 628 . 1 . 1 67 67 ILE C C 13 176.839 0.3 . 1 . . . . A 67 ILE C . 34817 1 629 . 1 . 1 67 67 ILE CA C 13 63.733 0.3 . 1 . . . . A 67 ILE CA . 34817 1 630 . 1 . 1 67 67 ILE CB C 13 37.971 0.3 . 1 . . . . A 67 ILE CB . 34817 1 631 . 1 . 1 67 67 ILE CG1 C 13 28.828 0.3 . 1 . . . . A 67 ILE CG1 . 34817 1 632 . 1 . 1 67 67 ILE CG2 C 13 17.142 0.3 . 1 . . . . A 67 ILE CG2 . 34817 1 633 . 1 . 1 67 67 ILE CD1 C 13 12.892 0.3 . 1 . . . . A 67 ILE CD1 . 34817 1 634 . 1 . 1 67 67 ILE N N 15 120.233 0.3 . 1 . . . . A 67 ILE N . 34817 1 635 . 1 . 1 68 68 THR H H 1 7.172 0.020 . 1 . . . . A 68 THR H . 34817 1 636 . 1 . 1 68 68 THR HA H 1 4.395 0.020 . 1 . . . . A 68 THR HA . 34817 1 637 . 1 . 1 68 68 THR HB H 1 4.708 0.020 . 1 . . . . A 68 THR HB . 34817 1 638 . 1 . 1 68 68 THR C C 13 174.896 0.3 . 1 . . . . A 68 THR C . 34817 1 639 . 1 . 1 68 68 THR CA C 13 61.230 0.3 . 1 . . . . A 68 THR CA . 34817 1 640 . 1 . 1 68 68 THR CB C 13 68.359 0.3 . 1 . . . . A 68 THR CB . 34817 1 641 . 1 . 1 68 68 THR CG2 C 13 22.056 0.3 . 1 . . . . A 68 THR CG2 . 34817 1 642 . 1 . 1 68 68 THR N N 15 104.163 0.3 . 1 . . . . A 68 THR N . 34817 1 643 . 1 . 1 69 69 GLY H H 1 7.166 0.020 . 1 . . . . A 69 GLY H . 34817 1 644 . 1 . 1 69 69 GLY HA2 H 1 4.430 0.020 . 2 . . . . A 69 GLY HA2 . 34817 1 645 . 1 . 1 69 69 GLY HA3 H 1 4.075 0.020 . 2 . . . . A 69 GLY HA3 . 34817 1 646 . 1 . 1 69 69 GLY C C 13 173.354 0.3 . 1 . . . . A 69 GLY C . 34817 1 647 . 1 . 1 69 69 GLY CA C 13 46.685 0.3 . 1 . . . . A 69 GLY CA . 34817 1 648 . 1 . 1 69 69 GLY N N 15 107.376 0.3 . 1 . . . . A 69 GLY N . 34817 1 649 . 1 . 1 70 70 ASP H H 1 7.648 0.020 . 1 . . . . A 70 ASP H . 34817 1 650 . 1 . 1 70 70 ASP HA H 1 4.724 0.020 . 1 . . . . A 70 ASP HA . 34817 1 651 . 1 . 1 70 70 ASP HB2 H 1 3.016 0.020 . 2 . . . . A 70 ASP HB2 . 34817 1 652 . 1 . 1 70 70 ASP HB3 H 1 2.532 0.020 . 2 . . . . A 70 ASP HB3 . 34817 1 653 . 1 . 1 70 70 ASP C C 13 173.940 0.3 . 1 . . . . A 70 ASP C . 34817 1 654 . 1 . 1 70 70 ASP CA C 13 54.636 0.3 . 1 . . . . A 70 ASP CA . 34817 1 655 . 1 . 1 70 70 ASP CB C 13 44.422 0.3 . 1 . . . . A 70 ASP CB . 34817 1 656 . 1 . 1 70 70 ASP N N 15 114.633 0.3 . 1 . . . . A 70 ASP N . 34817 1 657 . 1 . 1 71 71 ALA H H 1 7.535 0.020 . 1 . . . . A 71 ALA H . 34817 1 658 . 1 . 1 71 71 ALA HA H 1 5.070 0.020 . 1 . . . . A 71 ALA HA . 34817 1 659 . 1 . 1 71 71 ALA C C 13 175.204 0.3 . 1 . . . . A 71 ALA C . 34817 1 660 . 1 . 1 71 71 ALA CA C 13 51.528 0.3 . 1 . . . . A 71 ALA CA . 34817 1 661 . 1 . 1 71 71 ALA CB C 13 22.010 0.3 . 1 . . . . A 71 ALA CB . 34817 1 662 . 1 . 1 71 71 ALA N N 15 118.972 0.3 . 1 . . . . A 71 ALA N . 34817 1 663 . 1 . 1 72 72 ILE H H 1 8.451 0.020 . 1 . . . . A 72 ILE H . 34817 1 664 . 1 . 1 72 72 ILE HA H 1 5.239 0.020 . 1 . . . . A 72 ILE HA . 34817 1 665 . 1 . 1 72 72 ILE HB H 1 1.824 0.020 . 1 . . . . A 72 ILE HB . 34817 1 666 . 1 . 1 72 72 ILE HG12 H 1 1.503 0.020 . 2 . . . . A 72 ILE HG12 . 34817 1 667 . 1 . 1 72 72 ILE HG13 H 1 1.531 0.020 . 2 . . . . A 72 ILE HG13 . 34817 1 668 . 1 . 1 72 72 ILE C C 13 173.199 0.3 . 1 . . . . A 72 ILE C . 34817 1 669 . 1 . 1 72 72 ILE CA C 13 58.628 0.3 . 1 . . . . A 72 ILE CA . 34817 1 670 . 1 . 1 72 72 ILE CB C 13 43.725 0.3 . 1 . . . . A 72 ILE CB . 34817 1 671 . 1 . 1 72 72 ILE CG1 C 13 25.638 0.3 . 1 . . . . A 72 ILE CG1 . 34817 1 672 . 1 . 1 72 72 ILE CG2 C 13 21.029 0.3 . 1 . . . . A 72 ILE CG2 . 34817 1 673 . 1 . 1 72 72 ILE CD1 C 13 15.045 0.3 . 1 . . . . A 72 ILE CD1 . 34817 1 674 . 1 . 1 72 72 ILE N N 15 110.818 0.3 . 1 . . . . A 72 ILE N . 34817 1 675 . 1 . 1 73 73 ASP H H 1 8.536 0.020 . 1 . . . . A 73 ASP H . 34817 1 676 . 1 . 1 73 73 ASP HA H 1 6.067 0.020 . 1 . . . . A 73 ASP HA . 34817 1 677 . 1 . 1 73 73 ASP HB2 H 1 2.949 0.020 . 2 . . . . A 73 ASP HB2 . 34817 1 678 . 1 . 1 73 73 ASP HB3 H 1 2.472 0.020 . 2 . . . . A 73 ASP HB3 . 34817 1 679 . 1 . 1 73 73 ASP C C 13 175.420 0.3 . 1 . . . . A 73 ASP C . 34817 1 680 . 1 . 1 73 73 ASP CA C 13 51.916 0.3 . 1 . . . . A 73 ASP CA . 34817 1 681 . 1 . 1 73 73 ASP CB C 13 42.442 0.3 . 1 . . . . A 73 ASP CB . 34817 1 682 . 1 . 1 73 73 ASP N N 15 117.969 0.3 . 1 . . . . A 73 ASP N . 34817 1 683 . 1 . 1 74 74 PHE H H 1 9.616 0.020 . 1 . . . . A 74 PHE H . 34817 1 684 . 1 . 1 74 74 PHE HA H 1 6.183 0.020 . 1 . . . . A 74 PHE HA . 34817 1 685 . 1 . 1 74 74 PHE HB2 H 1 2.495 0.020 . 2 . . . . A 74 PHE HB2 . 34817 1 686 . 1 . 1 74 74 PHE HB3 H 1 3.416 0.020 . 2 . . . . A 74 PHE HB3 . 34817 1 687 . 1 . 1 74 74 PHE HZ H 1 6.693 0.020 . 1 . . . . A 74 PHE HZ . 34817 1 688 . 1 . 1 74 74 PHE C C 13 173.662 0.3 . 1 . . . . A 74 PHE C . 34817 1 689 . 1 . 1 74 74 PHE CA C 13 54.770 0.3 . 1 . . . . A 74 PHE CA . 34817 1 690 . 1 . 1 74 74 PHE CB C 13 44.057 0.3 . 1 . . . . A 74 PHE CB . 34817 1 691 . 1 . 1 74 74 PHE CD1 C 13 132.878 0.3 . 1 . . . . A 74 PHE CD1 . 34817 1 692 . 1 . 1 74 74 PHE CD2 C 13 132.451 0.3 . 1 . . . . A 74 PHE CD2 . 34817 1 693 . 1 . 1 74 74 PHE CE1 C 13 130.868 0.3 . 1 . . . . A 74 PHE CE1 . 34817 1 694 . 1 . 1 74 74 PHE CE2 C 13 130.868 0.3 . 1 . . . . A 74 PHE CE2 . 34817 1 695 . 1 . 1 74 74 PHE CZ C 13 130.726 0.3 . 1 . . . . A 74 PHE CZ . 34817 1 696 . 1 . 1 74 74 PHE N N 15 123.082 0.3 . 1 . . . . A 74 PHE N . 34817 1 697 . 1 . 1 75 75 ALA H H 1 8.574 0.020 . 1 . . . . A 75 ALA H . 34817 1 698 . 1 . 1 75 75 ALA HA H 1 4.443 0.020 . 1 . . . . A 75 ALA HA . 34817 1 699 . 1 . 1 75 75 ALA CA C 13 50.188 0.3 . 1 . . . . A 75 ALA CA . 34817 1 700 . 1 . 1 75 75 ALA CB C 13 20.914 0.3 . 1 . . . . A 75 ALA CB . 34817 1 701 . 1 . 1 75 75 ALA N N 15 119.280 0.3 . 1 . . . . A 75 ALA N . 34817 1 702 . 1 . 1 76 76 PRO HA H 1 4.582 0.020 . 1 . . . . A 76 PRO HA . 34817 1 703 . 1 . 1 76 76 PRO HB2 H 1 1.513 0.020 . 2 . . . . A 76 PRO HB2 . 34817 1 704 . 1 . 1 76 76 PRO HB3 H 1 1.640 0.020 . 2 . . . . A 76 PRO HB3 . 34817 1 705 . 1 . 1 76 76 PRO HG2 H 1 1.735 0.020 . 2 . . . . A 76 PRO HG2 . 34817 1 706 . 1 . 1 76 76 PRO HG3 H 1 0.977 0.020 . 2 . . . . A 76 PRO HG3 . 34817 1 707 . 1 . 1 76 76 PRO HD2 H 1 2.760 0.020 . 2 . . . . A 76 PRO HD2 . 34817 1 708 . 1 . 1 76 76 PRO HD3 H 1 2.203 0.020 . 2 . . . . A 76 PRO HD3 . 34817 1 709 . 1 . 1 76 76 PRO C C 13 173.230 0.3 . 1 . . . . A 76 PRO C . 34817 1 710 . 1 . 1 76 76 PRO CA C 13 62.129 0.3 . 1 . . . . A 76 PRO CA . 34817 1 711 . 1 . 1 76 76 PRO CB C 13 31.855 0.3 . 1 . . . . A 76 PRO CB . 34817 1 712 . 1 . 1 76 76 PRO CG C 13 27.038 0.3 . 1 . . . . A 76 PRO CG . 34817 1 713 . 1 . 1 76 76 PRO CD C 13 50.046 0.3 . 1 . . . . A 76 PRO CD . 34817 1 714 . 1 . 1 77 77 TYR H H 1 8.387 0.020 . 1 . . . . A 77 TYR H . 34817 1 715 . 1 . 1 77 77 TYR HA H 1 4.732 0.020 . 1 . . . . A 77 TYR HA . 34817 1 716 . 1 . 1 77 77 TYR HB2 H 1 2.355 0.020 . 2 . . . . A 77 TYR HB2 . 34817 1 717 . 1 . 1 77 77 TYR HB3 H 1 3.052 0.020 . 2 . . . . A 77 TYR HB3 . 34817 1 718 . 1 . 1 77 77 TYR C C 13 174.402 0.3 . 1 . . . . A 77 TYR C . 34817 1 719 . 1 . 1 77 77 TYR CA C 13 56.692 0.3 . 1 . . . . A 77 TYR CA . 34817 1 720 . 1 . 1 77 77 TYR CB C 13 40.479 0.3 . 1 . . . . A 77 TYR CB . 34817 1 721 . 1 . 1 77 77 TYR CD1 C 13 132.623 0.3 . 1 . . . . A 77 TYR CD1 . 34817 1 722 . 1 . 1 77 77 TYR CD2 C 13 132.619 0.3 . 1 . . . . A 77 TYR CD2 . 34817 1 723 . 1 . 1 77 77 TYR CE1 C 13 117.611 0.3 . 1 . . . . A 77 TYR CE1 . 34817 1 724 . 1 . 1 77 77 TYR CE2 C 13 117.611 0.3 . 1 . . . . A 77 TYR CE2 . 34817 1 725 . 1 . 1 77 77 TYR N N 15 124.374 0.3 . 1 . . . . A 77 TYR N . 34817 1 726 . 1 . 1 78 78 ILE H H 1 8.439 0.020 . 1 . . . . A 78 ILE H . 34817 1 727 . 1 . 1 78 78 ILE HA H 1 4.209 0.020 . 1 . . . . A 78 ILE HA . 34817 1 728 . 1 . 1 78 78 ILE HB H 1 1.663 0.020 . 1 . . . . A 78 ILE HB . 34817 1 729 . 1 . 1 78 78 ILE HG12 H 1 1.342 0.020 . 2 . . . . A 78 ILE HG12 . 34817 1 730 . 1 . 1 78 78 ILE HG13 H 1 1.025 0.020 . 2 . . . . A 78 ILE HG13 . 34817 1 731 . 1 . 1 78 78 ILE C C 13 176.099 0.3 . 1 . . . . A 78 ILE C . 34817 1 732 . 1 . 1 78 78 ILE CA C 13 60.258 0.3 . 1 . . . . A 78 ILE CA . 34817 1 733 . 1 . 1 78 78 ILE CB C 13 40.609 0.3 . 1 . . . . A 78 ILE CB . 34817 1 734 . 1 . 1 78 78 ILE CG1 C 13 26.966 0.3 . 1 . . . . A 78 ILE CG1 . 34817 1 735 . 1 . 1 78 78 ILE CG2 C 13 17.078 0.3 . 1 . . . . A 78 ILE CG2 . 34817 1 736 . 1 . 1 78 78 ILE CD1 C 13 12.904 0.3 . 1 . . . . A 78 ILE CD1 . 34817 1 737 . 1 . 1 78 78 ILE N N 15 123.894 0.3 . 1 . . . . A 78 ILE N . 34817 1 738 . 1 . 1 79 79 ASN H H 1 9.476 0.020 . 1 . . . . A 79 ASN H . 34817 1 739 . 1 . 1 79 79 ASN HA H 1 4.342 0.020 . 1 . . . . A 79 ASN HA . 34817 1 740 . 1 . 1 79 79 ASN HB2 H 1 2.756 0.020 . 2 . . . . A 79 ASN HB2 . 34817 1 741 . 1 . 1 79 79 ASN HB3 H 1 3.066 0.020 . 2 . . . . A 79 ASN HB3 . 34817 1 742 . 1 . 1 79 79 ASN C C 13 175.698 0.3 . 1 . . . . A 79 ASN C . 34817 1 743 . 1 . 1 79 79 ASN CA C 13 53.976 0.3 . 1 . . . . A 79 ASN CA . 34817 1 744 . 1 . 1 79 79 ASN CB C 13 36.890 0.3 . 1 . . . . A 79 ASN CB . 34817 1 745 . 1 . 1 79 79 ASN N N 15 126.320 0.3 . 1 . . . . A 79 ASN N . 34817 1 746 . 1 . 1 80 80 GLY H H 1 8.297 0.020 . 1 . . . . A 80 GLY H . 34817 1 747 . 1 . 1 80 80 GLY HA2 H 1 3.368 0.020 . 2 . . . . A 80 GLY HA2 . 34817 1 748 . 1 . 1 80 80 GLY HA3 H 1 3.960 0.020 . 2 . . . . A 80 GLY HA3 . 34817 1 749 . 1 . 1 80 80 GLY C C 13 172.891 0.3 . 1 . . . . A 80 GLY C . 34817 1 750 . 1 . 1 80 80 GLY CA C 13 45.613 0.3 . 1 . . . . A 80 GLY CA . 34817 1 751 . 1 . 1 80 80 GLY N N 15 102.068 0.3 . 1 . . . . A 80 GLY N . 34817 1 752 . 1 . 1 81 81 LYS H H 1 7.025 0.020 . 1 . . . . A 81 LYS H . 34817 1 753 . 1 . 1 81 81 LYS HA H 1 4.591 0.020 . 1 . . . . A 81 LYS HA . 34817 1 754 . 1 . 1 81 81 LYS HB2 H 1 1.794 0.020 . 2 . . . . A 81 LYS HB2 . 34817 1 755 . 1 . 1 81 81 LYS HB3 H 1 1.658 0.020 . 2 . . . . A 81 LYS HB3 . 34817 1 756 . 1 . 1 81 81 LYS HG2 H 1 1.280 0.020 . 2 . . . . A 81 LYS HG2 . 34817 1 757 . 1 . 1 81 81 LYS HG3 H 1 1.339 0.020 . 2 . . . . A 81 LYS HG3 . 34817 1 758 . 1 . 1 81 81 LYS C C 13 174.433 0.3 . 1 . . . . A 81 LYS C . 34817 1 759 . 1 . 1 81 81 LYS CA C 13 54.301 0.3 . 1 . . . . A 81 LYS CA . 34817 1 760 . 1 . 1 81 81 LYS CB C 13 35.706 0.3 . 1 . . . . A 81 LYS CB . 34817 1 761 . 1 . 1 81 81 LYS CG C 13 23.649 0.3 . 1 . . . . A 81 LYS CG . 34817 1 762 . 1 . 1 81 81 LYS CD C 13 29.124 0.3 . 1 . . . . A 81 LYS CD . 34817 1 763 . 1 . 1 81 81 LYS CE C 13 42.097 0.3 . 1 . . . . A 81 LYS CE . 34817 1 764 . 1 . 1 81 81 LYS N N 15 117.246 0.3 . 1 . . . . A 81 LYS N . 34817 1 765 . 1 . 1 82 82 ILE H H 1 8.415 0.020 . 1 . . . . A 82 ILE H . 34817 1 766 . 1 . 1 82 82 ILE HA H 1 3.962 0.020 . 1 . . . . A 82 ILE HA . 34817 1 767 . 1 . 1 82 82 ILE HB H 1 1.366 0.020 . 1 . . . . A 82 ILE HB . 34817 1 768 . 1 . 1 82 82 ILE HG12 H 1 1.459 0.020 . 2 . . . . A 82 ILE HG12 . 34817 1 769 . 1 . 1 82 82 ILE HG13 H 1 0.557 0.020 . 2 . . . . A 82 ILE HG13 . 34817 1 770 . 1 . 1 82 82 ILE C C 13 175.729 0.3 . 1 . . . . A 82 ILE C . 34817 1 771 . 1 . 1 82 82 ILE CA C 13 62.404 0.3 . 1 . . . . A 82 ILE CA . 34817 1 772 . 1 . 1 82 82 ILE CB C 13 37.754 0.3 . 1 . . . . A 82 ILE CB . 34817 1 773 . 1 . 1 82 82 ILE CG1 C 13 28.156 0.3 . 1 . . . . A 82 ILE CG1 . 34817 1 774 . 1 . 1 82 82 ILE CG2 C 13 16.168 0.3 . 1 . . . . A 82 ILE CG2 . 34817 1 775 . 1 . 1 82 82 ILE CD1 C 13 13.075 0.3 . 1 . . . . A 82 ILE CD1 . 34817 1 776 . 1 . 1 82 82 ILE N N 15 122.539 0.3 . 1 . . . . A 82 ILE N . 34817 1 777 . 1 . 1 83 83 ASP H H 1 8.024 0.020 . 1 . . . . A 83 ASP H . 34817 1 778 . 1 . 1 83 83 ASP HA H 1 4.846 0.020 . 1 . . . . A 83 ASP HA . 34817 1 779 . 1 . 1 83 83 ASP HB2 H 1 2.267 0.020 . 2 . . . . A 83 ASP HB2 . 34817 1 780 . 1 . 1 83 83 ASP HB3 H 1 2.755 0.020 . 2 . . . . A 83 ASP HB3 . 34817 1 781 . 1 . 1 83 83 ASP C C 13 176.870 0.3 . 1 . . . . A 83 ASP C . 34817 1 782 . 1 . 1 83 83 ASP CA C 13 51.564 0.3 . 1 . . . . A 83 ASP CA . 34817 1 783 . 1 . 1 83 83 ASP CB C 13 40.882 0.3 . 1 . . . . A 83 ASP CB . 34817 1 784 . 1 . 1 83 83 ASP N N 15 128.456 0.3 . 1 . . . . A 83 ASP N . 34817 1 785 . 1 . 1 84 84 TRP H H 1 8.083 0.020 . 1 . . . . A 84 TRP H . 34817 1 786 . 1 . 1 84 84 TRP HA H 1 4.555 0.020 . 1 . . . . A 84 TRP HA . 34817 1 787 . 1 . 1 84 84 TRP HB2 H 1 3.571 0.020 . 2 . . . . A 84 TRP HB2 . 34817 1 788 . 1 . 1 84 84 TRP HB3 H 1 2.965 0.020 . 2 . . . . A 84 TRP HB3 . 34817 1 789 . 1 . 1 84 84 TRP HD1 H 1 7.314 0.020 . 1 . . . . A 84 TRP HD1 . 34817 1 790 . 1 . 1 84 84 TRP HE1 H 1 10.111 0.020 . 1 . . . . A 84 TRP HE1 . 34817 1 791 . 1 . 1 84 84 TRP HE3 H 1 7.283 0.020 . 1 . . . . A 84 TRP HE3 . 34817 1 792 . 1 . 1 84 84 TRP HZ2 H 1 7.445 0.020 . 1 . . . . A 84 TRP HZ2 . 34817 1 793 . 1 . 1 84 84 TRP HZ3 H 1 7.832 0.020 . 1 . . . . A 84 TRP HZ3 . 34817 1 794 . 1 . 1 84 84 TRP HH2 H 1 7.139 0.020 . 1 . . . . A 84 TRP HH2 . 34817 1 795 . 1 . 1 84 84 TRP C C 13 176.530 0.3 . 1 . . . . A 84 TRP C . 34817 1 796 . 1 . 1 84 84 TRP CA C 13 58.546 0.3 . 1 . . . . A 84 TRP CA . 34817 1 797 . 1 . 1 84 84 TRP CB C 13 30.371 0.3 . 1 . . . . A 84 TRP CB . 34817 1 798 . 1 . 1 84 84 TRP CD1 C 13 127.686 0.3 . 1 . . . . A 84 TRP CD1 . 34817 1 799 . 1 . 1 84 84 TRP CE3 C 13 121.914 0.3 . 1 . . . . A 84 TRP CE3 . 34817 1 800 . 1 . 1 84 84 TRP CZ2 C 13 114.482 0.3 . 1 . . . . A 84 TRP CZ2 . 34817 1 801 . 1 . 1 84 84 TRP CZ3 C 13 120.475 0.3 . 1 . . . . A 84 TRP CZ3 . 34817 1 802 . 1 . 1 84 84 TRP CH2 C 13 124.643 0.3 . 1 . . . . A 84 TRP CH2 . 34817 1 803 . 1 . 1 84 84 TRP N N 15 121.825 0.3 . 1 . . . . A 84 TRP N . 34817 1 804 . 1 . 1 84 84 TRP NE1 N 15 129.054 0.3 . 1 . . . . A 84 TRP NE1 . 34817 1 805 . 1 . 1 85 85 ASN H H 1 8.432 0.020 . 1 . . . . A 85 ASN H . 34817 1 806 . 1 . 1 85 85 ASN HA H 1 5.006 0.020 . 1 . . . . A 85 ASN HA . 34817 1 807 . 1 . 1 85 85 ASN HB2 H 1 2.830 0.020 . 2 . . . . A 85 ASN HB2 . 34817 1 808 . 1 . 1 85 85 ASN HB3 H 1 2.992 0.020 . 2 . . . . A 85 ASN HB3 . 34817 1 809 . 1 . 1 85 85 ASN HD21 H 1 6.716 0.020 . 1 . . . . A 85 ASN HD21 . 34817 1 810 . 1 . 1 85 85 ASN HD22 H 1 7.690 0.020 . 1 . . . . A 85 ASN HD22 . 34817 1 811 . 1 . 1 85 85 ASN C C 13 174.742 0.3 . 1 . . . . A 85 ASN C . 34817 1 812 . 1 . 1 85 85 ASN CA C 13 53.434 0.3 . 1 . . . . A 85 ASN CA . 34817 1 813 . 1 . 1 85 85 ASN CB C 13 40.242 0.3 . 1 . . . . A 85 ASN CB . 34817 1 814 . 1 . 1 85 85 ASN N N 15 113.283 0.3 . 1 . . . . A 85 ASN N . 34817 1 815 . 1 . 1 85 85 ASN ND2 N 15 113.376 0.3 . 1 . . . . A 85 ASN ND2 . 34817 1 816 . 1 . 1 86 86 ASP H H 1 7.551 0.020 . 1 . . . . A 86 ASP H . 34817 1 817 . 1 . 1 86 86 ASP HA H 1 4.847 0.020 . 1 . . . . A 86 ASP HA . 34817 1 818 . 1 . 1 86 86 ASP HB2 H 1 2.944 0.020 . 2 . . . . A 86 ASP HB2 . 34817 1 819 . 1 . 1 86 86 ASP HB3 H 1 2.566 0.020 . 2 . . . . A 86 ASP HB3 . 34817 1 820 . 1 . 1 86 86 ASP C C 13 175.852 0.3 . 1 . . . . A 86 ASP C . 34817 1 821 . 1 . 1 86 86 ASP CA C 13 52.490 0.3 . 1 . . . . A 86 ASP CA . 34817 1 822 . 1 . 1 86 86 ASP CB C 13 37.963 0.3 . 1 . . . . A 86 ASP CB . 34817 1 823 . 1 . 1 86 86 ASP N N 15 119.108 0.3 . 1 . . . . A 86 ASP N . 34817 1 824 . 1 . 1 87 87 LEU H H 1 8.379 0.020 . 1 . . . . A 87 LEU H . 34817 1 825 . 1 . 1 87 87 LEU HA H 1 4.156 0.020 . 1 . . . . A 87 LEU HA . 34817 1 826 . 1 . 1 87 87 LEU HB2 H 1 1.823 0.020 . 2 . . . . A 87 LEU HB2 . 34817 1 827 . 1 . 1 87 87 LEU HB3 H 1 1.073 0.020 . 2 . . . . A 87 LEU HB3 . 34817 1 828 . 1 . 1 87 87 LEU HG H 1 1.811 0.020 . 1 . . . . A 87 LEU HG . 34817 1 829 . 1 . 1 87 87 LEU C C 13 181.249 0.3 . 1 . . . . A 87 LEU C . 34817 1 830 . 1 . 1 87 87 LEU CA C 13 57.896 0.3 . 1 . . . . A 87 LEU CA . 34817 1 831 . 1 . 1 87 87 LEU CB C 13 39.921 0.3 . 1 . . . . A 87 LEU CB . 34817 1 832 . 1 . 1 87 87 LEU CG C 13 26.662 0.3 . 1 . . . . A 87 LEU CG . 34817 1 833 . 1 . 1 87 87 LEU CD1 C 13 24.623 0.3 . 1 . . . . A 87 LEU CD1 . 34817 1 834 . 1 . 1 87 87 LEU CD2 C 13 22.885 0.3 . 1 . . . . A 87 LEU CD2 . 34817 1 835 . 1 . 1 87 87 LEU N N 15 125.442 0.3 . 1 . . . . A 87 LEU N . 34817 1 836 . 1 . 1 88 88 GLU H H 1 8.767 0.020 . 1 . . . . A 88 GLU H . 34817 1 837 . 1 . 1 88 88 GLU HA H 1 3.932 0.020 . 1 . . . . A 88 GLU HA . 34817 1 838 . 1 . 1 88 88 GLU HG2 H 1 2.377 0.020 . 2 . . . . A 88 GLU HG2 . 34817 1 839 . 1 . 1 88 88 GLU HG3 H 1 2.174 0.020 . 2 . . . . A 88 GLU HG3 . 34817 1 840 . 1 . 1 88 88 GLU C C 13 179.029 0.3 . 1 . . . . A 88 GLU C . 34817 1 841 . 1 . 1 88 88 GLU CA C 13 59.311 0.3 . 1 . . . . A 88 GLU CA . 34817 1 842 . 1 . 1 88 88 GLU CB C 13 28.515 0.3 . 1 . . . . A 88 GLU CB . 34817 1 843 . 1 . 1 88 88 GLU CG C 13 34.795 0.3 . 1 . . . . A 88 GLU CG . 34817 1 844 . 1 . 1 88 88 GLU N N 15 121.261 0.3 . 1 . . . . A 88 GLU N . 34817 1 845 . 1 . 1 89 89 ALA H H 1 7.701 0.020 . 1 . . . . A 89 ALA H . 34817 1 846 . 1 . 1 89 89 ALA HA H 1 4.215 0.020 . 1 . . . . A 89 ALA HA . 34817 1 847 . 1 . 1 89 89 ALA C C 13 179.954 0.3 . 1 . . . . A 89 ALA C . 34817 1 848 . 1 . 1 89 89 ALA CA C 13 55.133 0.3 . 1 . . . . A 89 ALA CA . 34817 1 849 . 1 . 1 89 89 ALA CB C 13 17.237 0.3 . 1 . . . . A 89 ALA CB . 34817 1 850 . 1 . 1 89 89 ALA N N 15 124.914 0.3 . 1 . . . . A 89 ALA N . 34817 1 851 . 1 . 1 90 90 PHE H H 1 7.767 0.020 . 1 . . . . A 90 PHE H . 34817 1 852 . 1 . 1 90 90 PHE HA H 1 4.017 0.020 . 1 . . . . A 90 PHE HA . 34817 1 853 . 1 . 1 90 90 PHE HB2 H 1 3.088 0.020 . 2 . . . . A 90 PHE HB2 . 34817 1 854 . 1 . 1 90 90 PHE HB3 H 1 2.949 0.020 . 2 . . . . A 90 PHE HB3 . 34817 1 855 . 1 . 1 90 90 PHE HZ H 1 7.185 0.020 . 1 . . . . A 90 PHE HZ . 34817 1 856 . 1 . 1 90 90 PHE C C 13 178.412 0.3 . 1 . . . . A 90 PHE C . 34817 1 857 . 1 . 1 90 90 PHE CA C 13 63.960 0.3 . 1 . . . . A 90 PHE CA . 34817 1 858 . 1 . 1 90 90 PHE CB C 13 39.161 0.3 . 1 . . . . A 90 PHE CB . 34817 1 859 . 1 . 1 90 90 PHE CD1 C 13 131.594 0.3 . 1 . . . . A 90 PHE CD1 . 34817 1 860 . 1 . 1 90 90 PHE CD2 C 13 131.594 0.3 . 1 . . . . A 90 PHE CD2 . 34817 1 861 . 1 . 1 90 90 PHE CE1 C 13 131.597 0.3 . 1 . . . . A 90 PHE CE1 . 34817 1 862 . 1 . 1 90 90 PHE CE2 C 13 131.594 0.3 . 1 . . . . A 90 PHE CE2 . 34817 1 863 . 1 . 1 90 90 PHE CZ C 13 129.780 0.3 . 1 . . . . A 90 PHE CZ . 34817 1 864 . 1 . 1 90 90 PHE N N 15 115.122 0.3 . 1 . . . . A 90 PHE N . 34817 1 865 . 1 . 1 91 91 TRP H H 1 7.812 0.020 . 1 . . . . A 91 TRP H . 34817 1 866 . 1 . 1 91 91 TRP HA H 1 4.578 0.020 . 1 . . . . A 91 TRP HA . 34817 1 867 . 1 . 1 91 91 TRP HB2 H 1 3.280 0.020 . 2 . . . . A 91 TRP HB2 . 34817 1 868 . 1 . 1 91 91 TRP HB3 H 1 3.552 0.020 . 2 . . . . A 91 TRP HB3 . 34817 1 869 . 1 . 1 91 91 TRP HD1 H 1 7.540 0.020 . 1 . . . . A 91 TRP HD1 . 34817 1 870 . 1 . 1 91 91 TRP HE1 H 1 10.187 0.020 . 1 . . . . A 91 TRP HE1 . 34817 1 871 . 1 . 1 91 91 TRP HE3 H 1 6.922 0.020 . 1 . . . . A 91 TRP HE3 . 34817 1 872 . 1 . 1 91 91 TRP HZ2 H 1 7.372 0.020 . 1 . . . . A 91 TRP HZ2 . 34817 1 873 . 1 . 1 91 91 TRP HZ3 H 1 7.373 0.020 . 1 . . . . A 91 TRP HZ3 . 34817 1 874 . 1 . 1 91 91 TRP HH2 H 1 7.083 0.020 . 1 . . . . A 91 TRP HH2 . 34817 1 875 . 1 . 1 91 91 TRP C C 13 179.584 0.3 . 1 . . . . A 91 TRP C . 34817 1 876 . 1 . 1 91 91 TRP CA C 13 59.060 0.3 . 1 . . . . A 91 TRP CA . 34817 1 877 . 1 . 1 91 91 TRP CB C 13 29.885 0.3 . 1 . . . . A 91 TRP CB . 34817 1 878 . 1 . 1 91 91 TRP CD1 C 13 128.041 0.3 . 1 . . . . A 91 TRP CD1 . 34817 1 879 . 1 . 1 91 91 TRP CE3 C 13 121.299 0.3 . 1 . . . . A 91 TRP CE3 . 34817 1 880 . 1 . 1 91 91 TRP CZ2 C 13 114.621 0.3 . 1 . . . . A 91 TRP CZ2 . 34817 1 881 . 1 . 1 91 91 TRP CZ3 C 13 120.492 0.3 . 1 . . . . A 91 TRP CZ3 . 34817 1 882 . 1 . 1 91 91 TRP CH2 C 13 124.571 0.3 . 1 . . . . A 91 TRP CH2 . 34817 1 883 . 1 . 1 91 91 TRP N N 15 119.362 0.3 . 1 . . . . A 91 TRP N . 34817 1 884 . 1 . 1 91 91 TRP NE1 N 15 128.736 0.3 . 1 . . . . A 91 TRP NE1 . 34817 1 885 . 1 . 1 92 92 ALA H H 1 8.245 0.020 . 1 . . . . A 92 ALA H . 34817 1 886 . 1 . 1 92 92 ALA HA H 1 4.118 0.020 . 1 . . . . A 92 ALA HA . 34817 1 887 . 1 . 1 92 92 ALA C C 13 181.064 0.3 . 1 . . . . A 92 ALA C . 34817 1 888 . 1 . 1 92 92 ALA CA C 13 55.116 0.3 . 1 . . . . A 92 ALA CA . 34817 1 889 . 1 . 1 92 92 ALA CB C 13 18.827 0.3 . 1 . . . . A 92 ALA CB . 34817 1 890 . 1 . 1 92 92 ALA N N 15 120.978 0.3 . 1 . . . . A 92 ALA N . 34817 1 891 . 1 . 1 93 93 VAL H H 1 7.916 0.020 . 1 . . . . A 93 VAL H . 34817 1 892 . 1 . 1 93 93 VAL HA H 1 3.589 0.020 . 1 . . . . A 93 VAL HA . 34817 1 893 . 1 . 1 93 93 VAL HB H 1 1.781 0.020 . 1 . . . . A 93 VAL HB . 34817 1 894 . 1 . 1 93 93 VAL C C 13 178.073 0.3 . 1 . . . . A 93 VAL C . 34817 1 895 . 1 . 1 93 93 VAL CA C 13 66.309 0.3 . 1 . . . . A 93 VAL CA . 34817 1 896 . 1 . 1 93 93 VAL CB C 13 30.734 0.3 . 1 . . . . A 93 VAL CB . 34817 1 897 . 1 . 1 93 93 VAL CG1 C 13 21.760 0.3 . 1 . . . . A 93 VAL CG1 . 34817 1 898 . 1 . 1 93 93 VAL CG2 C 13 21.760 0.3 . 1 . . . . A 93 VAL CG2 . 34817 1 899 . 1 . 1 93 93 VAL N N 15 119.762 0.3 . 1 . . . . A 93 VAL N . 34817 1 900 . 1 . 1 94 94 LYS H H 1 8.448 0.020 . 1 . . . . A 94 LYS H . 34817 1 901 . 1 . 1 94 94 LYS HA H 1 3.537 0.020 . 1 . . . . A 94 LYS HA . 34817 1 902 . 1 . 1 94 94 LYS C C 13 178.227 0.3 . 1 . . . . A 94 LYS C . 34817 1 903 . 1 . 1 94 94 LYS CA C 13 60.435 0.3 . 1 . . . . A 94 LYS CA . 34817 1 904 . 1 . 1 94 94 LYS CB C 13 30.439 0.3 . 1 . . . . A 94 LYS CB . 34817 1 905 . 1 . 1 94 94 LYS CG C 13 23.268 0.3 . 1 . . . . A 94 LYS CG . 34817 1 906 . 1 . 1 94 94 LYS CD C 13 29.415 0.3 . 1 . . . . A 94 LYS CD . 34817 1 907 . 1 . 1 94 94 LYS CE C 13 41.988 0.3 . 1 . . . . A 94 LYS CE . 34817 1 908 . 1 . 1 94 94 LYS N N 15 123.663 0.3 . 1 . . . . A 94 LYS N . 34817 1 909 . 1 . 1 95 95 LYS H H 1 7.938 0.020 . 1 . . . . A 95 LYS H . 34817 1 910 . 1 . 1 95 95 LYS HA H 1 3.666 0.020 . 1 . . . . A 95 LYS HA . 34817 1 911 . 1 . 1 95 95 LYS HB2 H 1 1.758 0.020 . 2 . . . . A 95 LYS HB2 . 34817 1 912 . 1 . 1 95 95 LYS HB3 H 1 1.837 0.020 . 2 . . . . A 95 LYS HB3 . 34817 1 913 . 1 . 1 95 95 LYS HG2 H 1 1.190 0.020 . 2 . . . . A 95 LYS HG2 . 34817 1 914 . 1 . 1 95 95 LYS HG3 H 1 1.039 0.020 . 2 . . . . A 95 LYS HG3 . 34817 1 915 . 1 . 1 95 95 LYS C C 13 179.090 0.3 . 1 . . . . A 95 LYS C . 34817 1 916 . 1 . 1 95 95 LYS CA C 13 59.370 0.3 . 1 . . . . A 95 LYS CA . 34817 1 917 . 1 . 1 95 95 LYS CB C 13 31.243 0.3 . 1 . . . . A 95 LYS CB . 34817 1 918 . 1 . 1 95 95 LYS CG C 13 24.772 0.3 . 1 . . . . A 95 LYS CG . 34817 1 919 . 1 . 1 95 95 LYS CD C 13 28.872 0.3 . 1 . . . . A 95 LYS CD . 34817 1 920 . 1 . 1 95 95 LYS CE C 13 41.783 0.3 . 1 . . . . A 95 LYS CE . 34817 1 921 . 1 . 1 95 95 LYS N N 15 118.387 0.3 . 1 . . . . A 95 LYS N . 34817 1 922 . 1 . 1 96 96 ALA H H 1 7.674 0.020 . 1 . . . . A 96 ALA H . 34817 1 923 . 1 . 1 96 96 ALA HA H 1 4.229 0.020 . 1 . . . . A 96 ALA HA . 34817 1 924 . 1 . 1 96 96 ALA C C 13 179.954 0.3 . 1 . . . . A 96 ALA C . 34817 1 925 . 1 . 1 96 96 ALA CA C 13 55.370 0.3 . 1 . . . . A 96 ALA CA . 34817 1 926 . 1 . 1 96 96 ALA CB C 13 17.315 0.3 . 1 . . . . A 96 ALA CB . 34817 1 927 . 1 . 1 96 96 ALA N N 15 124.433 0.3 . 1 . . . . A 96 ALA N . 34817 1 928 . 1 . 1 97 97 PHE H H 1 8.332 0.020 . 1 . . . . A 97 PHE H . 34817 1 929 . 1 . 1 97 97 PHE HA H 1 3.864 0.020 . 1 . . . . A 97 PHE HA . 34817 1 930 . 1 . 1 97 97 PHE HB2 H 1 3.519 0.020 . 2 . . . . A 97 PHE HB2 . 34817 1 931 . 1 . 1 97 97 PHE HB3 H 1 2.941 0.020 . 2 . . . . A 97 PHE HB3 . 34817 1 932 . 1 . 1 97 97 PHE HZ H 1 6.857 0.020 . 1 . . . . A 97 PHE HZ . 34817 1 933 . 1 . 1 97 97 PHE C C 13 177.980 0.3 . 1 . . . . A 97 PHE C . 34817 1 934 . 1 . 1 97 97 PHE CA C 13 62.868 0.3 . 1 . . . . A 97 PHE CA . 34817 1 935 . 1 . 1 97 97 PHE CB C 13 40.717 0.3 . 1 . . . . A 97 PHE CB . 34817 1 936 . 1 . 1 97 97 PHE CD1 C 13 131.278 0.3 . 1 . . . . A 97 PHE CD1 . 34817 1 937 . 1 . 1 97 97 PHE CD2 C 13 131.278 0.3 . 1 . . . . A 97 PHE CD2 . 34817 1 938 . 1 . 1 97 97 PHE CE1 C 13 131.244 0.3 . 1 . . . . A 97 PHE CE1 . 34817 1 939 . 1 . 1 97 97 PHE CE2 C 13 131.245 0.3 . 1 . . . . A 97 PHE CE2 . 34817 1 940 . 1 . 1 97 97 PHE CZ C 13 128.106 0.3 . 1 . . . . A 97 PHE CZ . 34817 1 941 . 1 . 1 97 97 PHE N N 15 117.387 0.3 . 1 . . . . A 97 PHE N . 34817 1 942 . 1 . 1 98 98 GLU H H 1 8.870 0.020 . 1 . . . . A 98 GLU H . 34817 1 943 . 1 . 1 98 98 GLU HA H 1 4.140 0.020 . 1 . . . . A 98 GLU HA . 34817 1 944 . 1 . 1 98 98 GLU HB2 H 1 2.299 0.020 . 2 . . . . A 98 GLU HB2 . 34817 1 945 . 1 . 1 98 98 GLU HB3 H 1 2.040 0.020 . 2 . . . . A 98 GLU HB3 . 34817 1 946 . 1 . 1 98 98 GLU HG2 H 1 2.309 0.020 . 2 . . . . A 98 GLU HG2 . 34817 1 947 . 1 . 1 98 98 GLU HG3 H 1 2.273 0.020 . 2 . . . . A 98 GLU HG3 . 34817 1 948 . 1 . 1 98 98 GLU C C 13 179.892 0.3 . 1 . . . . A 98 GLU C . 34817 1 949 . 1 . 1 98 98 GLU CA C 13 59.303 0.3 . 1 . . . . A 98 GLU CA . 34817 1 950 . 1 . 1 98 98 GLU CB C 13 29.939 0.3 . 1 . . . . A 98 GLU CB . 34817 1 951 . 1 . 1 98 98 GLU CG C 13 36.027 0.3 . 1 . . . . A 98 GLU CG . 34817 1 952 . 1 . 1 98 98 GLU N N 15 120.055 0.3 . 1 . . . . A 98 GLU N . 34817 1 953 . 1 . 1 99 99 GLN H H 1 8.445 0.020 . 1 . . . . A 99 GLN H . 34817 1 954 . 1 . 1 99 99 GLN HA H 1 4.060 0.020 . 1 . . . . A 99 GLN HA . 34817 1 955 . 1 . 1 99 99 GLN HB2 H 1 1.983 0.020 . 2 . . . . A 99 GLN HB2 . 34817 1 956 . 1 . 1 99 99 GLN HB3 H 1 2.256 0.020 . 2 . . . . A 99 GLN HB3 . 34817 1 957 . 1 . 1 99 99 GLN HE21 H 1 7.595 0.020 . 1 . . . . A 99 GLN HE21 . 34817 1 958 . 1 . 1 99 99 GLN HE22 H 1 6.739 0.020 . 1 . . . . A 99 GLN HE22 . 34817 1 959 . 1 . 1 99 99 GLN C C 13 177.918 0.3 . 1 . . . . A 99 GLN C . 34817 1 960 . 1 . 1 99 99 GLN CA C 13 59.044 0.3 . 1 . . . . A 99 GLN CA . 34817 1 961 . 1 . 1 99 99 GLN CB C 13 27.523 0.3 . 1 . . . . A 99 GLN CB . 34817 1 962 . 1 . 1 99 99 GLN CG C 13 33.208 0.3 . 1 . . . . A 99 GLN CG . 34817 1 963 . 1 . 1 99 99 GLN N N 15 120.809 0.3 . 1 . . . . A 99 GLN N . 34817 1 964 . 1 . 1 99 99 GLN NE2 N 15 110.001 0.3 . 1 . . . . A 99 GLN NE2 . 34817 1 965 . 1 . 1 100 100 ALA H H 1 8.234 0.020 . 1 . . . . A 100 ALA H . 34817 1 966 . 1 . 1 100 100 ALA HA H 1 3.886 0.020 . 1 . . . . A 100 ALA HA . 34817 1 967 . 1 . 1 100 100 ALA C C 13 179.491 0.3 . 1 . . . . A 100 ALA C . 34817 1 968 . 1 . 1 100 100 ALA CA C 13 55.341 0.3 . 1 . . . . A 100 ALA CA . 34817 1 969 . 1 . 1 100 100 ALA CB C 13 19.484 0.3 . 1 . . . . A 100 ALA CB . 34817 1 970 . 1 . 1 100 100 ALA N N 15 122.503 0.3 . 1 . . . . A 100 ALA N . 34817 1 971 . 1 . 1 101 101 GLY H H 1 9.118 0.020 . 1 . . . . A 101 GLY H . 34817 1 972 . 1 . 1 101 101 GLY HA2 H 1 3.962 0.020 . 2 . . . . A 101 GLY HA2 . 34817 1 973 . 1 . 1 101 101 GLY HA3 H 1 3.716 0.020 . 2 . . . . A 101 GLY HA3 . 34817 1 974 . 1 . 1 101 101 GLY C C 13 175.944 0.3 . 1 . . . . A 101 GLY C . 34817 1 975 . 1 . 1 101 101 GLY CA C 13 47.798 0.3 . 1 . . . . A 101 GLY CA . 34817 1 976 . 1 . 1 101 101 GLY N N 15 104.545 0.3 . 1 . . . . A 101 GLY N . 34817 1 977 . 1 . 1 102 102 LYS H H 1 7.985 0.020 . 1 . . . . A 102 LYS H . 34817 1 978 . 1 . 1 102 102 LYS HA H 1 4.107 0.020 . 1 . . . . A 102 LYS HA . 34817 1 979 . 1 . 1 102 102 LYS HG2 H 1 1.479 0.020 . 2 . . . . A 102 LYS HG2 . 34817 1 980 . 1 . 1 102 102 LYS HG3 H 1 1.602 0.020 . 2 . . . . A 102 LYS HG3 . 34817 1 981 . 1 . 1 102 102 LYS C C 13 180.201 0.3 . 1 . . . . A 102 LYS C . 34817 1 982 . 1 . 1 102 102 LYS CA C 13 59.163 0.3 . 1 . . . . A 102 LYS CA . 34817 1 983 . 1 . 1 102 102 LYS CB C 13 32.176 0.3 . 1 . . . . A 102 LYS CB . 34817 1 984 . 1 . 1 102 102 LYS CG C 13 24.749 0.3 . 1 . . . . A 102 LYS CG . 34817 1 985 . 1 . 1 102 102 LYS CD C 13 29.105 0.3 . 1 . . . . A 102 LYS CD . 34817 1 986 . 1 . 1 102 102 LYS CE C 13 42.094 0.3 . 1 . . . . A 102 LYS CE . 34817 1 987 . 1 . 1 102 102 LYS N N 15 122.236 0.3 . 1 . . . . A 102 LYS N . 34817 1 988 . 1 . 1 103 103 GLU H H 1 8.404 0.020 . 1 . . . . A 103 GLU H . 34817 1 989 . 1 . 1 103 103 GLU HA H 1 3.982 0.020 . 1 . . . . A 103 GLU HA . 34817 1 990 . 1 . 1 103 103 GLU HG2 H 1 2.245 0.020 . 2 . . . . A 103 GLU HG2 . 34817 1 991 . 1 . 1 103 103 GLU HG3 H 1 2.638 0.020 . 2 . . . . A 103 GLU HG3 . 34817 1 992 . 1 . 1 103 103 GLU C C 13 179.152 0.3 . 1 . . . . A 103 GLU C . 34817 1 993 . 1 . 1 103 103 GLU CA C 13 59.151 0.3 . 1 . . . . A 103 GLU CA . 34817 1 994 . 1 . 1 103 103 GLU CB C 13 30.140 0.3 . 1 . . . . A 103 GLU CB . 34817 1 995 . 1 . 1 103 103 GLU CG C 13 35.867 0.3 . 1 . . . . A 103 GLU CG . 34817 1 996 . 1 . 1 103 103 GLU N N 15 119.368 0.3 . 1 . . . . A 103 GLU N . 34817 1 997 . 1 . 1 104 104 LEU H H 1 7.979 0.020 . 1 . . . . A 104 LEU H . 34817 1 998 . 1 . 1 104 104 LEU HA H 1 4.363 0.020 . 1 . . . . A 104 LEU HA . 34817 1 999 . 1 . 1 104 104 LEU HB2 H 1 1.720 0.020 . 2 . . . . A 104 LEU HB2 . 34817 1 1000 . 1 . 1 104 104 LEU HB3 H 1 1.663 0.020 . 2 . . . . A 104 LEU HB3 . 34817 1 1001 . 1 . 1 104 104 LEU HG H 1 1.913 0.020 . 1 . . . . A 104 LEU HG . 34817 1 1002 . 1 . 1 104 104 LEU C C 13 177.086 0.3 . 1 . . . . A 104 LEU C . 34817 1 1003 . 1 . 1 104 104 LEU CA C 13 55.064 0.3 . 1 . . . . A 104 LEU CA . 34817 1 1004 . 1 . 1 104 104 LEU CB C 13 43.142 0.3 . 1 . . . . A 104 LEU CB . 34817 1 1005 . 1 . 1 104 104 LEU CG C 13 27.393 0.3 . 1 . . . . A 104 LEU CG . 34817 1 1006 . 1 . 1 104 104 LEU CD1 C 13 25.811 0.3 . 1 . . . . A 104 LEU CD1 . 34817 1 1007 . 1 . 1 104 104 LEU CD2 C 13 22.727 0.3 . 1 . . . . A 104 LEU CD2 . 34817 1 1008 . 1 . 1 104 104 LEU N N 15 115.660 0.3 . 1 . . . . A 104 LEU N . 34817 1 1009 . 1 . 1 105 105 GLY H H 1 7.904 0.020 . 1 . . . . A 105 GLY H . 34817 1 1010 . 1 . 1 105 105 GLY HA2 H 1 3.900 0.020 . 2 . . . . A 105 GLY HA2 . 34817 1 1011 . 1 . 1 105 105 GLY HA3 H 1 3.997 0.020 . 2 . . . . A 105 GLY HA3 . 34817 1 1012 . 1 . 1 105 105 GLY C C 13 174.526 0.3 . 1 . . . . A 105 GLY C . 34817 1 1013 . 1 . 1 105 105 GLY CA C 13 46.458 0.3 . 1 . . . . A 105 GLY CA . 34817 1 1014 . 1 . 1 105 105 GLY N N 15 110.657 0.3 . 1 . . . . A 105 GLY N . 34817 1 1015 . 1 . 1 106 106 ILE H H 1 8.488 0.020 . 1 . . . . A 106 ILE H . 34817 1 1016 . 1 . 1 106 106 ILE HA H 1 4.232 0.020 . 1 . . . . A 106 ILE HA . 34817 1 1017 . 1 . 1 106 106 ILE HB H 1 1.407 0.020 . 1 . . . . A 106 ILE HB . 34817 1 1018 . 1 . 1 106 106 ILE HG12 H 1 1.037 0.020 . 2 . . . . A 106 ILE HG12 . 34817 1 1019 . 1 . 1 106 106 ILE HG13 H 1 1.376 0.020 . 2 . . . . A 106 ILE HG13 . 34817 1 1020 . 1 . 1 106 106 ILE C C 13 174.834 0.3 . 1 . . . . A 106 ILE C . 34817 1 1021 . 1 . 1 106 106 ILE CA C 13 59.672 0.3 . 1 . . . . A 106 ILE CA . 34817 1 1022 . 1 . 1 106 106 ILE CB C 13 41.117 0.3 . 1 . . . . A 106 ILE CB . 34817 1 1023 . 1 . 1 106 106 ILE CG1 C 13 26.880 0.3 . 1 . . . . A 106 ILE CG1 . 34817 1 1024 . 1 . 1 106 106 ILE CG2 C 13 17.495 0.3 . 1 . . . . A 106 ILE CG2 . 34817 1 1025 . 1 . 1 106 106 ILE CD1 C 13 13.175 0.3 . 1 . . . . A 106 ILE CD1 . 34817 1 1026 . 1 . 1 106 106 ILE N N 15 121.786 0.3 . 1 . . . . A 106 ILE N . 34817 1 1027 . 1 . 1 107 107 LYS H H 1 8.478 0.020 . 1 . . . . A 107 LYS H . 34817 1 1028 . 1 . 1 107 107 LYS HA H 1 4.285 0.020 . 1 . . . . A 107 LYS HA . 34817 1 1029 . 1 . 1 107 107 LYS HB2 H 1 1.692 0.020 . 2 . . . . A 107 LYS HB2 . 34817 1 1030 . 1 . 1 107 107 LYS HB3 H 1 1.795 0.020 . 2 . . . . A 107 LYS HB3 . 34817 1 1031 . 1 . 1 107 107 LYS HG2 H 1 1.555 0.020 . 2 . . . . A 107 LYS HG2 . 34817 1 1032 . 1 . 1 107 107 LYS HG3 H 1 1.393 0.020 . 2 . . . . A 107 LYS HG3 . 34817 1 1033 . 1 . 1 107 107 LYS C C 13 175.852 0.3 . 1 . . . . A 107 LYS C . 34817 1 1034 . 1 . 1 107 107 LYS CA C 13 57.148 0.3 . 1 . . . . A 107 LYS CA . 34817 1 1035 . 1 . 1 107 107 LYS CB C 13 32.832 0.3 . 1 . . . . A 107 LYS CB . 34817 1 1036 . 1 . 1 107 107 LYS CG C 13 24.982 0.3 . 1 . . . . A 107 LYS CG . 34817 1 1037 . 1 . 1 107 107 LYS CD C 13 28.949 0.3 . 1 . . . . A 107 LYS CD . 34817 1 1038 . 1 . 1 107 107 LYS CE C 13 41.972 0.3 . 1 . . . . A 107 LYS CE . 34817 1 1039 . 1 . 1 107 107 LYS N N 15 127.818 0.3 . 1 . . . . A 107 LYS N . 34817 1 1040 . 1 . 1 108 108 LEU H H 1 7.957 0.020 . 1 . . . . A 108 LEU H . 34817 1 1041 . 1 . 1 108 108 LEU HA H 1 5.235 0.020 . 1 . . . . A 108 LEU HA . 34817 1 1042 . 1 . 1 108 108 LEU HB2 H 1 0.575 0.020 . 2 . . . . A 108 LEU HB2 . 34817 1 1043 . 1 . 1 108 108 LEU HB3 H 1 1.379 0.020 . 2 . . . . A 108 LEU HB3 . 34817 1 1044 . 1 . 1 108 108 LEU HG H 1 0.960 0.020 . 1 . . . . A 108 LEU HG . 34817 1 1045 . 1 . 1 108 108 LEU C C 13 175.821 0.3 . 1 . . . . A 108 LEU C . 34817 1 1046 . 1 . 1 108 108 LEU CA C 13 53.271 0.3 . 1 . . . . A 108 LEU CA . 34817 1 1047 . 1 . 1 108 108 LEU CB C 13 47.264 0.3 . 1 . . . . A 108 LEU CB . 34817 1 1048 . 1 . 1 108 108 LEU CG C 13 27.716 0.3 . 1 . . . . A 108 LEU CG . 34817 1 1049 . 1 . 1 108 108 LEU CD1 C 13 26.121 0.3 . 1 . . . . A 108 LEU CD1 . 34817 1 1050 . 1 . 1 108 108 LEU CD2 C 13 23.564 0.3 . 1 . . . . A 108 LEU CD2 . 34817 1 1051 . 1 . 1 108 108 LEU N N 15 122.936 0.3 . 1 . . . . A 108 LEU N . 34817 1 1052 . 1 . 1 109 109 ARG H H 1 8.633 0.020 . 1 . . . . A 109 ARG H . 34817 1 1053 . 1 . 1 109 109 ARG HA H 1 4.356 0.020 . 1 . . . . A 109 ARG HA . 34817 1 1054 . 1 . 1 109 109 ARG HB2 H 1 1.620 0.020 . 2 . . . . A 109 ARG HB2 . 34817 1 1055 . 1 . 1 109 109 ARG HB3 H 1 1.556 0.020 . 2 . . . . A 109 ARG HB3 . 34817 1 1056 . 1 . 1 109 109 ARG HD2 H 1 3.138 0.020 . 2 . . . . A 109 ARG HD2 . 34817 1 1057 . 1 . 1 109 109 ARG HD3 H 1 3.072 0.020 . 2 . . . . A 109 ARG HD3 . 34817 1 1058 . 1 . 1 109 109 ARG C C 13 173.045 0.3 . 1 . . . . A 109 ARG C . 34817 1 1059 . 1 . 1 109 109 ARG CA C 13 55.223 0.3 . 1 . . . . A 109 ARG CA . 34817 1 1060 . 1 . 1 109 109 ARG CB C 13 33.540 0.3 . 1 . . . . A 109 ARG CB . 34817 1 1061 . 1 . 1 109 109 ARG CG C 13 27.438 0.3 . 1 . . . . A 109 ARG CG . 34817 1 1062 . 1 . 1 109 109 ARG CD C 13 43.509 0.3 . 1 . . . . A 109 ARG CD . 34817 1 1063 . 1 . 1 109 109 ARG N N 15 120.909 0.3 . 1 . . . . A 109 ARG N . 34817 1 1064 . 1 . 1 110 110 PHE H H 1 8.757 0.020 . 1 . . . . A 110 PHE H . 34817 1 1065 . 1 . 1 110 110 PHE HA H 1 5.323 0.020 . 1 . . . . A 110 PHE HA . 34817 1 1066 . 1 . 1 110 110 PHE HB2 H 1 3.501 0.020 . 2 . . . . A 110 PHE HB2 . 34817 1 1067 . 1 . 1 110 110 PHE HB3 H 1 2.475 0.020 . 2 . . . . A 110 PHE HB3 . 34817 1 1068 . 1 . 1 110 110 PHE HZ H 1 6.936 0.020 . 1 . . . . A 110 PHE HZ . 34817 1 1069 . 1 . 1 110 110 PHE C C 13 175.698 0.3 . 1 . . . . A 110 PHE C . 34817 1 1070 . 1 . 1 110 110 PHE CA C 13 56.686 0.3 . 1 . . . . A 110 PHE CA . 34817 1 1071 . 1 . 1 110 110 PHE CB C 13 40.464 0.3 . 1 . . . . A 110 PHE CB . 34817 1 1072 . 1 . 1 110 110 PHE CD1 C 13 132.447 0.3 . 1 . . . . A 110 PHE CD1 . 34817 1 1073 . 1 . 1 110 110 PHE CD2 C 13 132.447 0.3 . 1 . . . . A 110 PHE CD2 . 34817 1 1074 . 1 . 1 110 110 PHE CE1 C 13 131.308 0.3 . 1 . . . . A 110 PHE CE1 . 34817 1 1075 . 1 . 1 110 110 PHE CE2 C 13 131.308 0.3 . 1 . . . . A 110 PHE CE2 . 34817 1 1076 . 1 . 1 110 110 PHE CZ C 13 129.415 0.3 . 1 . . . . A 110 PHE CZ . 34817 1 1077 . 1 . 1 110 110 PHE N N 15 122.167 0.3 . 1 . . . . A 110 PHE N . 34817 1 1078 . 1 . 1 111 111 GLY H H 1 8.283 0.020 . 1 . . . . A 111 GLY H . 34817 1 1079 . 1 . 1 111 111 GLY HA2 H 1 3.915 0.020 . 2 . . . . A 111 GLY HA2 . 34817 1 1080 . 1 . 1 111 111 GLY HA3 H 1 3.997 0.020 . 2 . . . . A 111 GLY HA3 . 34817 1 1081 . 1 . 1 111 111 GLY C C 13 174.464 0.3 . 1 . . . . A 111 GLY C . 34817 1 1082 . 1 . 1 111 111 GLY CA C 13 45.335 0.3 . 1 . . . . A 111 GLY CA . 34817 1 1083 . 1 . 1 111 111 GLY N N 15 109.309 0.3 . 1 . . . . A 111 GLY N . 34817 1 1084 . 1 . 1 112 112 ALA H H 1 8.098 0.020 . 1 . . . . A 112 ALA H . 34817 1 1085 . 1 . 1 112 112 ALA HA H 1 3.867 0.020 . 1 . . . . A 112 ALA HA . 34817 1 1086 . 1 . 1 112 112 ALA C C 13 174.865 0.3 . 1 . . . . A 112 ALA C . 34817 1 1087 . 1 . 1 112 112 ALA CA C 13 52.047 0.3 . 1 . . . . A 112 ALA CA . 34817 1 1088 . 1 . 1 112 112 ALA CB C 13 18.924 0.3 . 1 . . . . A 112 ALA CB . 34817 1 1089 . 1 . 1 112 112 ALA N N 15 119.663 0.3 . 1 . . . . A 112 ALA N . 34817 1 1090 . 1 . 1 113 113 ASP H H 1 6.992 0.020 . 1 . . . . A 113 ASP H . 34817 1 1091 . 1 . 1 113 113 ASP HA H 1 5.149 0.020 . 1 . . . . A 113 ASP HA . 34817 1 1092 . 1 . 1 113 113 ASP HB2 H 1 2.599 0.020 . 2 . . . . A 113 ASP HB2 . 34817 1 1093 . 1 . 1 113 113 ASP HB3 H 1 2.938 0.020 . 2 . . . . A 113 ASP HB3 . 34817 1 1094 . 1 . 1 113 113 ASP C C 13 177.024 0.3 . 1 . . . . A 113 ASP C . 34817 1 1095 . 1 . 1 113 113 ASP CA C 13 52.090 0.3 . 1 . . . . A 113 ASP CA . 34817 1 1096 . 1 . 1 113 113 ASP CB C 13 41.397 0.3 . 1 . . . . A 113 ASP CB . 34817 1 1097 . 1 . 1 113 113 ASP N N 15 106.757 0.3 . 1 . . . . A 113 ASP N . 34817 1 1098 . 1 . 1 114 114 TRP H H 1 7.584 0.020 . 1 . . . . A 114 TRP H . 34817 1 1099 . 1 . 1 114 114 TRP HA H 1 4.770 0.020 . 1 . . . . A 114 TRP HA . 34817 1 1100 . 1 . 1 114 114 TRP HB2 H 1 3.019 0.020 . 2 . . . . A 114 TRP HB2 . 34817 1 1101 . 1 . 1 114 114 TRP HB3 H 1 3.172 0.020 . 2 . . . . A 114 TRP HB3 . 34817 1 1102 . 1 . 1 114 114 TRP HD1 H 1 7.299 0.020 . 1 . . . . A 114 TRP HD1 . 34817 1 1103 . 1 . 1 114 114 TRP HE1 H 1 10.481 0.020 . 1 . . . . A 114 TRP HE1 . 34817 1 1104 . 1 . 1 114 114 TRP HE3 H 1 6.985 0.020 . 1 . . . . A 114 TRP HE3 . 34817 1 1105 . 1 . 1 114 114 TRP HZ2 H 1 7.593 0.020 . 1 . . . . A 114 TRP HZ2 . 34817 1 1106 . 1 . 1 114 114 TRP HZ3 H 1 7.522 0.020 . 1 . . . . A 114 TRP HZ3 . 34817 1 1107 . 1 . 1 114 114 TRP HH2 H 1 7.220 0.020 . 1 . . . . A 114 TRP HH2 . 34817 1 1108 . 1 . 1 114 114 TRP C C 13 176.469 0.3 . 1 . . . . A 114 TRP C . 34817 1 1109 . 1 . 1 114 114 TRP CA C 13 61.257 0.3 . 1 . . . . A 114 TRP CA . 34817 1 1110 . 1 . 1 114 114 TRP CB C 13 26.481 0.3 . 1 . . . . A 114 TRP CB . 34817 1 1111 . 1 . 1 114 114 TRP CD1 C 13 127.110 0.3 . 1 . . . . A 114 TRP CD1 . 34817 1 1112 . 1 . 1 114 114 TRP CE3 C 13 121.639 0.3 . 1 . . . . A 114 TRP CE3 . 34817 1 1113 . 1 . 1 114 114 TRP CZ2 C 13 115.277 0.3 . 1 . . . . A 114 TRP CZ2 . 34817 1 1114 . 1 . 1 114 114 TRP CZ3 C 13 121.242 0.3 . 1 . . . . A 114 TRP CZ3 . 34817 1 1115 . 1 . 1 114 114 TRP CH2 C 13 124.509 0.3 . 1 . . . . A 114 TRP CH2 . 34817 1 1116 . 1 . 1 114 114 TRP N N 15 119.890 0.3 . 1 . . . . A 114 TRP N . 34817 1 1117 . 1 . 1 114 114 TRP NE1 N 15 129.621 0.3 . 1 . . . . A 114 TRP NE1 . 34817 1 1118 . 1 . 1 115 115 ASN H H 1 9.495 0.020 . 1 . . . . A 115 ASN H . 34817 1 1119 . 1 . 1 115 115 ASN HA H 1 4.356 0.020 . 1 . . . . A 115 ASN HA . 34817 1 1120 . 1 . 1 115 115 ASN HB2 H 1 2.692 0.020 . 2 . . . . A 115 ASN HB2 . 34817 1 1121 . 1 . 1 115 115 ASN HB3 H 1 2.510 0.020 . 2 . . . . A 115 ASN HB3 . 34817 1 1122 . 1 . 1 115 115 ASN C C 13 174.557 0.3 . 1 . . . . A 115 ASN C . 34817 1 1123 . 1 . 1 115 115 ASN CA C 13 55.784 0.3 . 1 . . . . A 115 ASN CA . 34817 1 1124 . 1 . 1 115 115 ASN CB C 13 36.926 0.3 . 1 . . . . A 115 ASN CB . 34817 1 1125 . 1 . 1 115 115 ASN N N 15 117.955 0.3 . 1 . . . . A 115 ASN N . 34817 1 1126 . 1 . 1 116 116 ALA H H 1 8.399 0.020 . 1 . . . . A 116 ALA H . 34817 1 1127 . 1 . 1 116 116 ALA HA H 1 4.176 0.020 . 1 . . . . A 116 ALA HA . 34817 1 1128 . 1 . 1 116 116 ALA C C 13 176.746 0.3 . 1 . . . . A 116 ALA C . 34817 1 1129 . 1 . 1 116 116 ALA CA C 13 53.452 0.3 . 1 . . . . A 116 ALA CA . 34817 1 1130 . 1 . 1 116 116 ALA CB C 13 16.518 0.3 . 1 . . . . A 116 ALA CB . 34817 1 1131 . 1 . 1 116 116 ALA N N 15 121.840 0.3 . 1 . . . . A 116 ALA N . 34817 1 1132 . 1 . 1 117 117 SER H H 1 9.451 0.020 . 1 . . . . A 117 SER H . 34817 1 1133 . 1 . 1 117 117 SER HA H 1 4.471 0.020 . 1 . . . . A 117 SER HA . 34817 1 1134 . 1 . 1 117 117 SER CA C 13 59.364 0.3 . 1 . . . . A 117 SER CA . 34817 1 1135 . 1 . 1 117 117 SER CB C 13 64.912 0.3 . 1 . . . . A 117 SER CB . 34817 1 1136 . 1 . 1 117 117 SER N N 15 116.050 0.3 . 1 . . . . A 117 SER N . 34817 1 1137 . 1 . 1 118 118 GLY H H 1 10.729 0.020 . 1 . . . . A 118 GLY H . 34817 1 1138 . 1 . 1 118 118 GLY HA2 H 1 3.920 0.020 . 2 . . . . A 118 GLY HA2 . 34817 1 1139 . 1 . 1 118 118 GLY HA3 H 1 3.997 0.020 . 2 . . . . A 118 GLY HA3 . 34817 1 1140 . 1 . 1 118 118 GLY C C 13 172.274 0.3 . 1 . . . . A 118 GLY C . 34817 1 1141 . 1 . 1 118 118 GLY CA C 13 45.159 0.3 . 1 . . . . A 118 GLY CA . 34817 1 1142 . 1 . 1 118 118 GLY N N 15 115.044 0.3 . 1 . . . . A 118 GLY N . 34817 1 1143 . 1 . 1 119 119 ASP H H 1 7.767 0.020 . 1 . . . . A 119 ASP H . 34817 1 1144 . 1 . 1 119 119 ASP HA H 1 4.488 0.020 . 1 . . . . A 119 ASP HA . 34817 1 1145 . 1 . 1 119 119 ASP HB2 H 1 2.769 0.020 . 2 . . . . A 119 ASP HB2 . 34817 1 1146 . 1 . 1 119 119 ASP HB3 H 1 2.627 0.020 . 2 . . . . A 119 ASP HB3 . 34817 1 1147 . 1 . 1 119 119 ASP C C 13 172.336 0.3 . 1 . . . . A 119 ASP C . 34817 1 1148 . 1 . 1 119 119 ASP CA C 13 53.081 0.3 . 1 . . . . A 119 ASP CA . 34817 1 1149 . 1 . 1 119 119 ASP CB C 13 43.834 0.3 . 1 . . . . A 119 ASP CB . 34817 1 1150 . 1 . 1 119 119 ASP N N 15 116.507 0.3 . 1 . . . . A 119 ASP N . 34817 1 1151 . 1 . 1 120 120 TYR H H 1 6.801 0.020 . 1 . . . . A 120 TYR H . 34817 1 1152 . 1 . 1 120 120 TYR HA H 1 6.098 0.020 . 1 . . . . A 120 TYR HA . 34817 1 1153 . 1 . 1 120 120 TYR HB2 H 1 3.641 0.020 . 2 . . . . A 120 TYR HB2 . 34817 1 1154 . 1 . 1 120 120 TYR HB3 H 1 2.935 0.020 . 2 . . . . A 120 TYR HB3 . 34817 1 1155 . 1 . 1 120 120 TYR CA C 13 55.965 0.3 . 1 . . . . A 120 TYR CA . 34817 1 1156 . 1 . 1 120 120 TYR CB C 13 40.627 0.3 . 1 . . . . A 120 TYR CB . 34817 1 1157 . 1 . 1 120 120 TYR CD1 C 13 132.377 0.3 . 1 . . . . A 120 TYR CD1 . 34817 1 1158 . 1 . 1 120 120 TYR CD2 C 13 132.377 0.3 . 1 . . . . A 120 TYR CD2 . 34817 1 1159 . 1 . 1 120 120 TYR CE1 C 13 117.396 0.3 . 1 . . . . A 120 TYR CE1 . 34817 1 1160 . 1 . 1 120 120 TYR CE2 C 13 117.396 0.3 . 1 . . . . A 120 TYR CE2 . 34817 1 1161 . 1 . 1 120 120 TYR N N 15 120.239 0.3 . 1 . . . . A 120 TYR N . 34817 1 1162 . 1 . 1 121 121 HIS H H 1 10.801 0.020 . 1 . . . . A 121 HIS H . 34817 1 1163 . 1 . 1 121 121 HIS HA H 1 4.587 0.020 . 1 . . . . A 121 HIS HA . 34817 1 1164 . 1 . 1 121 121 HIS HB2 H 1 3.168 0.020 . 2 . . . . A 121 HIS HB2 . 34817 1 1165 . 1 . 1 121 121 HIS HB3 H 1 3.387 0.020 . 2 . . . . A 121 HIS HB3 . 34817 1 1166 . 1 . 1 121 121 HIS HD2 H 1 6.486 0.020 . 1 . . . . A 121 HIS HD2 . 34817 1 1167 . 1 . 1 121 121 HIS HE1 H 1 8.153 0.020 . 1 . . . . A 121 HIS HE1 . 34817 1 1168 . 1 . 1 121 121 HIS C C 13 177.817 0.3 . 1 . . . . A 121 HIS C . 34817 1 1169 . 1 . 1 121 121 HIS CA C 13 59.503 0.3 . 1 . . . . A 121 HIS CA . 34817 1 1170 . 1 . 1 121 121 HIS CB C 13 31.502 0.3 . 1 . . . . A 121 HIS CB . 34817 1 1171 . 1 . 1 121 121 HIS CD2 C 13 118.734 0.3 . 1 . . . . A 121 HIS CD2 . 34817 1 1172 . 1 . 1 121 121 HIS CE1 C 13 135.914 0.3 . 1 . . . . A 121 HIS CE1 . 34817 1 1173 . 1 . 1 121 121 HIS N N 15 126.059 0.3 . 1 . . . . A 121 HIS N . 34817 1 1174 . 1 . 1 122 122 ASP H H 1 8.153 0.020 . 1 . . . . A 122 ASP H . 34817 1 1175 . 1 . 1 122 122 ASP HA H 1 4.820 0.020 . 1 . . . . A 122 ASP HA . 34817 1 1176 . 1 . 1 122 122 ASP C C 13 177.582 0.3 . 1 . . . . A 122 ASP C . 34817 1 1177 . 1 . 1 122 122 ASP CA C 13 51.477 0.3 . 1 . . . . A 122 ASP CA . 34817 1 1178 . 1 . 1 122 122 ASP CB C 13 36.840 0.3 . 1 . . . . A 122 ASP CB . 34817 1 1179 . 1 . 1 122 122 ASP N N 15 111.676 0.3 . 1 . . . . A 122 ASP N . 34817 1 1180 . 1 . 1 123 123 GLU H H 1 8.088 0.020 . 1 . . . . A 123 GLU H . 34817 1 1181 . 1 . 1 123 123 GLU HA H 1 4.086 0.020 . 1 . . . . A 123 GLU HA . 34817 1 1182 . 1 . 1 123 123 GLU C C 13 179.584 0.3 . 1 . . . . A 123 GLU C . 34817 1 1183 . 1 . 1 123 123 GLU CA C 13 62.162 0.3 . 1 . . . . A 123 GLU CA . 34817 1 1184 . 1 . 1 123 123 GLU CB C 13 27.863 0.3 . 1 . . . . A 123 GLU CB . 34817 1 1185 . 1 . 1 123 123 GLU CG C 13 36.234 0.3 . 1 . . . . A 123 GLU CG . 34817 1 1186 . 1 . 1 123 123 GLU N N 15 123.716 0.3 . 1 . . . . A 123 GLU N . 34817 1 1187 . 1 . 1 124 124 ILE H H 1 7.636 0.020 . 1 . . . . A 124 ILE H . 34817 1 1188 . 1 . 1 124 124 ILE HA H 1 3.839 0.020 . 1 . . . . A 124 ILE HA . 34817 1 1189 . 1 . 1 124 124 ILE HB H 1 2.013 0.020 . 1 . . . . A 124 ILE HB . 34817 1 1190 . 1 . 1 124 124 ILE HG12 H 1 1.447 0.020 . 2 . . . . A 124 ILE HG12 . 34817 1 1191 . 1 . 1 124 124 ILE HG13 H 1 0.739 0.020 . 2 . . . . A 124 ILE HG13 . 34817 1 1192 . 1 . 1 124 124 ILE C C 13 179.800 0.3 . 1 . . . . A 124 ILE C . 34817 1 1193 . 1 . 1 124 124 ILE CA C 13 64.693 0.3 . 1 . . . . A 124 ILE CA . 34817 1 1194 . 1 . 1 124 124 ILE CB C 13 36.963 0.3 . 1 . . . . A 124 ILE CB . 34817 1 1195 . 1 . 1 124 124 ILE CG1 C 13 28.267 0.3 . 1 . . . . A 124 ILE CG1 . 34817 1 1196 . 1 . 1 124 124 ILE CG2 C 13 16.047 0.3 . 1 . . . . A 124 ILE CG2 . 34817 1 1197 . 1 . 1 124 124 ILE CD1 C 13 12.623 0.3 . 1 . . . . A 124 ILE CD1 . 34817 1 1198 . 1 . 1 124 124 ILE N N 15 119.763 0.3 . 1 . . . . A 124 ILE N . 34817 1 1199 . 1 . 1 125 125 LYS H H 1 7.746 0.020 . 1 . . . . A 125 LYS H . 34817 1 1200 . 1 . 1 125 125 LYS HA H 1 4.108 0.020 . 1 . . . . A 125 LYS HA . 34817 1 1201 . 1 . 1 125 125 LYS HG2 H 1 1.602 0.020 . 2 . . . . A 125 LYS HG2 . 34817 1 1202 . 1 . 1 125 125 LYS HG3 H 1 1.402 0.020 . 2 . . . . A 125 LYS HG3 . 34817 1 1203 . 1 . 1 125 125 LYS C C 13 178.628 0.3 . 1 . . . . A 125 LYS C . 34817 1 1204 . 1 . 1 125 125 LYS CA C 13 59.202 0.3 . 1 . . . . A 125 LYS CA . 34817 1 1205 . 1 . 1 125 125 LYS CB C 13 32.098 0.3 . 1 . . . . A 125 LYS CB . 34817 1 1206 . 1 . 1 125 125 LYS CG C 13 25.077 0.3 . 1 . . . . A 125 LYS CG . 34817 1 1207 . 1 . 1 125 125 LYS CD C 13 28.959 0.3 . 1 . . . . A 125 LYS CD . 34817 1 1208 . 1 . 1 125 125 LYS CE C 13 42.009 0.3 . 1 . . . . A 125 LYS CE . 34817 1 1209 . 1 . 1 125 125 LYS N N 15 121.079 0.3 . 1 . . . . A 125 LYS N . 34817 1 1210 . 1 . 1 126 126 ARG H H 1 7.900 0.020 . 1 . . . . A 126 ARG H . 34817 1 1211 . 1 . 1 126 126 ARG HA H 1 4.345 0.020 . 1 . . . . A 126 ARG HA . 34817 1 1212 . 1 . 1 126 126 ARG HB2 H 1 1.973 0.020 . 2 . . . . A 126 ARG HB2 . 34817 1 1213 . 1 . 1 126 126 ARG HB3 H 1 1.842 0.020 . 2 . . . . A 126 ARG HB3 . 34817 1 1214 . 1 . 1 126 126 ARG HG2 H 1 1.694 0.020 . 2 . . . . A 126 ARG HG2 . 34817 1 1215 . 1 . 1 126 126 ARG HG3 H 1 1.965 0.020 . 2 . . . . A 126 ARG HG3 . 34817 1 1216 . 1 . 1 126 126 ARG HD2 H 1 3.212 0.020 . 2 . . . . A 126 ARG HD2 . 34817 1 1217 . 1 . 1 126 126 ARG HD3 H 1 3.319 0.020 . 2 . . . . A 126 ARG HD3 . 34817 1 1218 . 1 . 1 126 126 ARG C C 13 176.561 0.3 . 1 . . . . A 126 ARG C . 34817 1 1219 . 1 . 1 126 126 ARG CA C 13 57.113 0.3 . 1 . . . . A 126 ARG CA . 34817 1 1220 . 1 . 1 126 126 ARG CB C 13 31.028 0.3 . 1 . . . . A 126 ARG CB . 34817 1 1221 . 1 . 1 126 126 ARG CG C 13 27.526 0.3 . 1 . . . . A 126 ARG CG . 34817 1 1222 . 1 . 1 126 126 ARG CD C 13 43.447 0.3 . 1 . . . . A 126 ARG CD . 34817 1 1223 . 1 . 1 126 126 ARG N N 15 115.290 0.3 . 1 . . . . A 126 ARG N . 34817 1 1224 . 1 . 1 127 127 GLY H H 1 7.903 0.020 . 1 . . . . A 127 GLY H . 34817 1 1225 . 1 . 1 127 127 GLY HA2 H 1 4.251 0.020 . 2 . . . . A 127 GLY HA2 . 34817 1 1226 . 1 . 1 127 127 GLY HA3 H 1 4.011 0.020 . 2 . . . . A 127 GLY HA3 . 34817 1 1227 . 1 . 1 127 127 GLY C C 13 175.543 0.3 . 1 . . . . A 127 GLY C . 34817 1 1228 . 1 . 1 127 127 GLY CA C 13 45.805 0.3 . 1 . . . . A 127 GLY CA . 34817 1 1229 . 1 . 1 127 127 GLY N N 15 107.781 0.3 . 1 . . . . A 127 GLY N . 34817 1 1230 . 1 . 1 128 128 THR H H 1 8.112 0.020 . 1 . . . . A 128 THR H . 34817 1 1231 . 1 . 1 128 128 THR HA H 1 4.469 0.020 . 1 . . . . A 128 THR HA . 34817 1 1232 . 1 . 1 128 128 THR HB H 1 4.464 0.020 . 1 . . . . A 128 THR HB . 34817 1 1233 . 1 . 1 128 128 THR C C 13 174.772 0.3 . 1 . . . . A 128 THR C . 34817 1 1234 . 1 . 1 128 128 THR CA C 13 60.469 0.3 . 1 . . . . A 128 THR CA . 34817 1 1235 . 1 . 1 128 128 THR CB C 13 69.072 0.3 . 1 . . . . A 128 THR CB . 34817 1 1236 . 1 . 1 128 128 THR CG2 C 13 21.879 0.3 . 1 . . . . A 128 THR CG2 . 34817 1 1237 . 1 . 1 128 128 THR N N 15 107.557 0.3 . 1 . . . . A 128 THR N . 34817 1 1238 . 1 . 1 129 129 TYR H H 1 7.197 0.020 . 1 . . . . A 129 TYR H . 34817 1 1239 . 1 . 1 129 129 TYR HA H 1 3.770 0.020 . 1 . . . . A 129 TYR HA . 34817 1 1240 . 1 . 1 129 129 TYR HB2 H 1 2.564 0.020 . 2 . . . . A 129 TYR HB2 . 34817 1 1241 . 1 . 1 129 129 TYR HB3 H 1 2.950 0.020 . 2 . . . . A 129 TYR HB3 . 34817 1 1242 . 1 . 1 129 129 TYR CA C 13 60.394 0.3 . 1 . . . . A 129 TYR CA . 34817 1 1243 . 1 . 1 129 129 TYR CB C 13 38.583 0.3 . 1 . . . . A 129 TYR CB . 34817 1 1244 . 1 . 1 129 129 TYR CD1 C 13 133.725 0.3 . 1 . . . . A 129 TYR CD1 . 34817 1 1245 . 1 . 1 129 129 TYR CD2 C 13 133.725 0.3 . 1 . . . . A 129 TYR CD2 . 34817 1 1246 . 1 . 1 129 129 TYR CE1 C 13 118.271 0.3 . 1 . . . . A 129 TYR CE1 . 34817 1 1247 . 1 . 1 129 129 TYR CE2 C 13 118.271 0.3 . 1 . . . . A 129 TYR CE2 . 34817 1 1248 . 1 . 1 129 129 TYR N N 15 123.184 0.3 . 1 . . . . A 129 TYR N . 34817 1 1249 . 1 . 1 130 130 ASP H H 1 8.237 0.020 . 1 . . . . A 130 ASP H . 34817 1 1250 . 1 . 1 130 130 ASP HA H 1 4.360 0.020 . 1 . . . . A 130 ASP HA . 34817 1 1251 . 1 . 1 130 130 ASP CA C 13 55.302 0.3 . 1 . . . . A 130 ASP CA . 34817 1 1252 . 1 . 1 130 130 ASP CB C 13 40.462 0.3 . 1 . . . . A 130 ASP CB . 34817 1 1253 . 1 . 1 130 130 ASP N N 15 118.576 0.3 . 1 . . . . A 130 ASP N . 34817 1 1254 . 1 . 1 131 131 GLY H H 1 7.227 0.020 . 1 . . . . A 131 GLY H . 34817 1 1255 . 1 . 1 131 131 GLY HA2 H 1 2.783 0.020 . 2 . . . . A 131 GLY HA2 . 34817 1 1256 . 1 . 1 131 131 GLY HA3 H 1 2.508 0.020 . 2 . . . . A 131 GLY HA3 . 34817 1 1257 . 1 . 1 131 131 GLY C C 13 173.847 0.3 . 1 . . . . A 131 GLY C . 34817 1 1258 . 1 . 1 131 131 GLY CA C 13 49.023 0.3 . 1 . . . . A 131 GLY CA . 34817 1 1259 . 1 . 1 131 131 GLY N N 15 91.124 0.3 . 1 . . . . A 131 GLY N . 34817 1 1260 . 1 . 1 132 132 GLY H H 1 8.195 0.020 . 1 . . . . A 132 GLY H . 34817 1 1261 . 1 . 1 132 132 GLY HA2 H 1 2.920 0.020 . 2 . . . . A 132 GLY HA2 . 34817 1 1262 . 1 . 1 132 132 GLY HA3 H 1 3.549 0.020 . 2 . . . . A 132 GLY HA3 . 34817 1 1263 . 1 . 1 132 132 GLY C C 13 173.816 0.3 . 1 . . . . A 132 GLY C . 34817 1 1264 . 1 . 1 132 132 GLY CA C 13 43.148 0.3 . 1 . . . . A 132 GLY CA . 34817 1 1265 . 1 . 1 132 132 GLY N N 15 105.397 0.3 . 1 . . . . A 132 GLY N . 34817 1 1266 . 1 . 1 133 133 HIS H H 1 6.917 0.020 . 1 . . . . A 133 HIS H . 34817 1 1267 . 1 . 1 133 133 HIS HA H 1 5.375 0.020 . 1 . . . . A 133 HIS HA . 34817 1 1268 . 1 . 1 133 133 HIS HB2 H 1 2.826 0.020 . 2 . . . . A 133 HIS HB2 . 34817 1 1269 . 1 . 1 133 133 HIS HB3 H 1 2.663 0.020 . 2 . . . . A 133 HIS HB3 . 34817 1 1270 . 1 . 1 133 133 HIS HD2 H 1 6.411 0.020 . 1 . . . . A 133 HIS HD2 . 34817 1 1271 . 1 . 1 133 133 HIS HE1 H 1 6.061 0.020 . 1 . . . . A 133 HIS HE1 . 34817 1 1272 . 1 . 1 133 133 HIS C C 13 175.975 0.3 . 1 . . . . A 133 HIS C . 34817 1 1273 . 1 . 1 133 133 HIS CA C 13 57.170 0.3 . 1 . . . . A 133 HIS CA . 34817 1 1274 . 1 . 1 133 133 HIS CB C 13 31.642 0.3 . 1 . . . . A 133 HIS CB . 34817 1 1275 . 1 . 1 133 133 HIS CD2 C 13 118.365 0.3 . 1 . . . . A 133 HIS CD2 . 34817 1 1276 . 1 . 1 133 133 HIS CE1 C 13 133.205 0.3 . 1 . . . . A 133 HIS CE1 . 34817 1 1277 . 1 . 1 133 133 HIS N N 15 117.554 0.3 . 1 . . . . A 133 HIS N . 34817 1 1278 . 1 . 1 134 134 VAL H H 1 9.129 0.020 . 1 . . . . A 134 VAL H . 34817 1 1279 . 1 . 1 134 134 VAL HA H 1 4.208 0.020 . 1 . . . . A 134 VAL HA . 34817 1 1280 . 1 . 1 134 134 VAL HB H 1 1.581 0.020 . 1 . . . . A 134 VAL HB . 34817 1 1281 . 1 . 1 134 134 VAL C C 13 172.675 0.3 . 1 . . . . A 134 VAL C . 34817 1 1282 . 1 . 1 134 134 VAL CA C 13 61.531 0.3 . 1 . . . . A 134 VAL CA . 34817 1 1283 . 1 . 1 134 134 VAL CB C 13 34.659 0.3 . 1 . . . . A 134 VAL CB . 34817 1 1284 . 1 . 1 134 134 VAL CG1 C 13 21.073 0.3 . 1 . . . . A 134 VAL CG1 . 34817 1 1285 . 1 . 1 134 134 VAL CG2 C 13 19.923 0.3 . 1 . . . . A 134 VAL CG2 . 34817 1 1286 . 1 . 1 134 134 VAL N N 15 133.297 0.3 . 1 . . . . A 134 VAL N . 34817 1 1287 . 1 . 1 135 135 GLU H H 1 8.493 0.020 . 1 . . . . A 135 GLU H . 34817 1 1288 . 1 . 1 135 135 GLU HA H 1 5.514 0.020 . 1 . . . . A 135 GLU HA . 34817 1 1289 . 1 . 1 135 135 GLU HB2 H 1 1.965 0.020 . 2 . . . . A 135 GLU HB2 . 34817 1 1290 . 1 . 1 135 135 GLU HB3 H 1 1.670 0.020 . 2 . . . . A 135 GLU HB3 . 34817 1 1291 . 1 . 1 135 135 GLU HG2 H 1 2.284 0.020 . 2 . . . . A 135 GLU HG2 . 34817 1 1292 . 1 . 1 135 135 GLU HG3 H 1 1.931 0.020 . 2 . . . . A 135 GLU HG3 . 34817 1 1293 . 1 . 1 135 135 GLU C C 13 174.430 0.3 . 1 . . . . A 135 GLU C . 34817 1 1294 . 1 . 1 135 135 GLU CA C 13 52.128 0.3 . 1 . . . . A 135 GLU CA . 34817 1 1295 . 1 . 1 135 135 GLU CB C 13 34.663 0.3 . 1 . . . . A 135 GLU CB . 34817 1 1296 . 1 . 1 135 135 GLU CG C 13 36.010 0.3 . 1 . . . . A 135 GLU CG . 34817 1 1297 . 1 . 1 135 135 GLU N N 15 119.917 0.3 . 1 . . . . A 135 GLU N . 34817 1 1298 . 1 . 1 136 136 LEU H H 1 8.296 0.020 . 1 . . . . A 136 LEU H . 34817 1 1299 . 1 . 1 136 136 LEU HA H 1 4.438 0.020 . 1 . . . . A 136 LEU HA . 34817 1 1300 . 1 . 1 136 136 LEU HB2 H 1 1.715 0.020 . 2 . . . . A 136 LEU HB2 . 34817 1 1301 . 1 . 1 136 136 LEU HB3 H 1 1.636 0.020 . 2 . . . . A 136 LEU HB3 . 34817 1 1302 . 1 . 1 136 136 LEU HG H 1 1.621 0.020 . 1 . . . . A 136 LEU HG . 34817 1 1303 . 1 . 1 136 136 LEU C C 13 177.240 0.3 . 1 . . . . A 136 LEU C . 34817 1 1304 . 1 . 1 136 136 LEU CA C 13 54.771 0.3 . 1 . . . . A 136 LEU CA . 34817 1 1305 . 1 . 1 136 136 LEU CB C 13 42.556 0.3 . 1 . . . . A 136 LEU CB . 34817 1 1306 . 1 . 1 136 136 LEU CG C 13 27.277 0.3 . 1 . . . . A 136 LEU CG . 34817 1 1307 . 1 . 1 136 136 LEU CD1 C 13 26.071 0.3 . 1 . . . . A 136 LEU CD1 . 34817 1 1308 . 1 . 1 136 136 LEU CD2 C 13 22.755 0.3 . 1 . . . . A 136 LEU CD2 . 34817 1 1309 . 1 . 1 136 136 LEU N N 15 119.398 0.3 . 1 . . . . A 136 LEU N . 34817 1 1310 . 1 . 1 137 137 VAL H H 1 7.320 0.020 . 1 . . . . A 137 VAL H . 34817 1 1311 . 1 . 1 137 137 VAL HA H 1 3.808 0.020 . 1 . . . . A 137 VAL HA . 34817 1 1312 . 1 . 1 137 137 VAL HB H 1 1.722 0.020 . 1 . . . . A 137 VAL HB . 34817 1 1313 . 1 . 1 137 137 VAL CA C 13 64.587 0.3 . 1 . . . . A 137 VAL CA . 34817 1 1314 . 1 . 1 137 137 VAL CB C 13 32.806 0.3 . 1 . . . . A 137 VAL CB . 34817 1 1315 . 1 . 1 137 137 VAL CG1 C 13 21.752 0.3 . 1 . . . . A 137 VAL CG1 . 34817 1 1316 . 1 . 1 137 137 VAL CG2 C 13 21.544 0.3 . 1 . . . . A 137 VAL CG2 . 34817 1 1317 . 1 . 1 137 137 VAL N N 15 126.187 0.3 . 1 . . . . A 137 VAL N . 34817 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34817 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details ; Peak list edit and integration usng CARA Release: 1.8.4.2 Keller and Wuthrich; Structure calculation with automated NOESY assignment. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 HC #INAME 2 H #INAME 3 C #CYANAFORMAT HhC 1 3.267 7.771 39.183 64 U 1.118e+003 0.00e+000 - 0 0 0 0 0 2 1.664 8.732 41.917 0 U 6.400e+002 0.00e+000 - 0 0 0 0 0 3 4.492 0.061 58.871 192 U 1.542e+003 0.00e+000 - 0 0 0 0 0 4 0.911 0.460 39.730 128 U 1.222e+003 0.00e+000 - 0 0 0 0 0 5 1.834 0.389 37.542 64 U 8.893e+002 0.00e+000 - 0 0 0 0 0 6 0.436 1.303 12.932 0 U 2.236e+003 0.00e+000 - 0 0 0 0 0 7 1.878 8.474 27.698 192 U 1.111e+003 0.00e+000 - 0 0 0 0 0 8 2.754 8.872 40.824 128 U 1.118e+003 0.00e+000 - 0 0 0 0 0 9 2.883 7.935 41.917 64 U 6.812e+002 0.00e+000 - 0 0 0 0 0 10 0.712 5.404 22.229 0 U 2.070e+003 0.00e+000 - 0 0 0 0 0 11 3.117 1.585 39.183 192 U 1.341e+003 0.00e+000 - 0 0 0 0 0 12 0.184 2.335 22.229 128 U 1.076e+003 0.00e+000 - 0 0 0 0 0 13 0.999 6.810 10.197 64 U 1.110e+003 0.00e+000 - 0 0 0 0 0 14 1.477 6.435 26.604 0 U 1.315e+003 0.00e+000 - 0 0 0 0 0 15 2.400 8.849 35.902 192 U 7.467e+002 0.00e+000 - 0 0 0 0 0 16 2.766 2.826 31.526 64 U 1.603e+003 0.00e+000 - 0 0 0 0 0 17 1.773 7.068 17.854 0 U 3.408e+003 0.00e+000 - 0 0 0 0 0 18 2.265 1.022 50.121 192 U 7.632e+002 0.00e+000 - 0 0 0 0 0 19 0.516 4.561 12.932 128 U 1.600e+003 0.00e+000 - 0 0 0 0 0 20 3.815 6.810 54.496 64 U 1.521e+003 0.00e+000 - 0 0 0 0 0 21 4.248 7.373 61.059 0 U 7.169e+002 0.00e+000 - 0 0 0 0 0 22 4.313 1.139 58.871 192 U 1.038e+003 0.00e+000 - 0 0 0 0 0 23 1.623 10.184 28.245 128 U 2.561e+002 0.00e+000 - 0 0 0 0 0 24 2.813 1.702 50.121 64 U 1.272e+003 0.00e+000 - 0 0 0 0 0 25 1.031 6.857 21.135 0 U 3.627e+002 0.00e+000 - 0 0 0 0 0 26 0.357 5.685 12.385 192 U 2.437e+003 0.00e+000 - 0 0 0 0 0 27 3.891 4.373 59.418 128 U 1.825e+003 0.00e+000 - 0 0 0 0 0 28 1.441 3.764 30.979 64 U 1.848e+003 0.00e+000 - 0 0 0 0 0 29 0.911 7.115 27.151 0 U 1.379e+003 0.00e+000 - 0 0 0 0 0 30 4.275 8.497 70.356 192 U 1.084e+003 0.00e+000 - 0 0 0 0 0 31 3.343 1.421 62.153 128 U 1.203e+003 0.00e+000 - 0 0 0 0 0 32 1.875 4.818 27.151 64 U 6.682e+002 0.00e+000 - 0 0 0 0 0 33 0.419 7.091 12.385 0 U 1.312e+003 0.00e+000 - 0 0 0 0 0 34 2.523 1.561 39.183 192 U 1.101e+003 0.00e+000 - 0 0 0 0 0 35 4.471 8.521 57.777 128 U 1.147e+003 0.00e+000 - 0 0 0 0 0 36 0.636 1.772 17.307 64 U 1.983e+003 0.00e+000 - 0 0 0 0 0 37 4.410 8.544 50.121 0 U 1.214e+003 0.00e+000 - 0 0 0 0 0 38 0.937 9.669 15.119 192 U 1.217e+003 0.00e+000 - 0 0 0 0 0 39 1.456 0.413 46.839 128 U 1.547e+003 0.00e+000 - 0 0 0 0 0 40 0.703 8.568 23.870 64 U 2.631e+003 0.00e+000 - 0 0 0 0 0 41 0.463 7.208 24.417 0 U 1.243e+003 0.00e+000 - 0 0 0 0 0 42 3.865 2.452 56.684 192 U 1.261e+003 0.00e+000 - 0 0 0 0 0 43 3.513 2.662 36.995 128 U 1.364e+003 0.00e+000 - 0 0 0 0 0 44 2.769 2.077 38.089 64 U 9.910e+002 0.00e+000 - 0 0 0 0 0 45 1.869 8.427 26.057 0 U 6.307e+002 0.00e+000 - 0 0 0 0 0 46 3.627 1.866 55.043 192 U 8.983e+002 0.00e+000 - 0 0 0 0 0 47 3.270 3.483 43.011 128 U 7.417e+002 0.00e+000 - 0 0 0 0 0 48 0.451 7.747 23.870 64 U 2.401e+003 0.00e+000 - 0 0 0 0 0 49 3.624 4.842 30.433 0 U 1.656e+003 0.00e+000 - 0 0 0 0 0 50 0.943 4.818 17.307 192 U 9.317e+002 0.00e+000 - 0 0 0 0 0 51 0.559 8.638 47.386 128 U 1.799e+003 0.00e+000 - 0 0 0 0 0 52 1.386 8.240 26.604 64 U 1.877e+003 0.00e+000 - 0 0 0 0 0 53 4.445 7.747 52.855 0 U 8.343e+002 0.00e+000 - 0 0 0 0 0 54 3.539 1.163 65.981 192 U 2.362e+003 0.00e+000 - 0 0 0 0 0 55 1.345 4.233 42.464 128 U 8.194e+002 0.00e+000 - 0 0 0 0 0 56 2.836 0.600 50.121 64 U 7.343e+002 0.00e+000 - 0 0 0 0 0 57 3.302 4.256 29.339 0 U 8.389e+002 0.00e+000 - 0 0 0 0 0 58 2.294 3.037 39.730 192 U 2.007e+003 0.00e+000 - 0 0 0 0 0 59 4.058 7.911 55.043 128 U 1.444e+003 0.00e+000 - 0 0 0 0 0 60 0.852 5.240 22.229 64 U 4.365e+002 0.00e+000 - 0 0 0 0 0 61 2.444 4.889 33.167 0 U 1.894e+003 0.00e+000 - 0 0 0 0 0 62 4.222 7.911 52.855 192 U 1.020e+003 0.00e+000 - 0 0 0 0 0 63 1.031 4.584 27.151 128 U 1.151e+003 0.00e+000 - 0 0 0 0 0 64 1.330 8.450 40.824 64 U 1.527e+003 0.00e+000 - 0 0 0 0 0 65 3.891 3.694 59.418 0 U 8.072e+002 0.00e+000 - 0 0 0 0 0 66 1.037 0.061 12.932 192 U 1.031e+003 0.00e+000 - 0 0 0 0 0 67 3.689 6.084 40.277 128 U 1.634e+003 0.00e+000 - 0 0 0 0 0 68 0.747 2.053 12.932 64 U 1.469e+003 0.00e+000 - 0 0 0 0 0 69 3.976 3.155 59.418 0 U 2.404e+003 0.00e+000 - 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0 0 0 0 0 1840 1.620 0.155 24.963 128 U 5.011e+002 0.00e+000 - 0 0 0 0 0 1841 1.907 7.068 18.401 64 U 2.560e+003 0.00e+000 - 0 0 0 0 0 1842 0.970 8.474 15.119 0 U 1.663e+003 0.00e+000 - 0 0 0 0 0 1843 3.015 8.240 31.526 192 U 1.651e+003 0.00e+000 - 0 0 0 0 0 1844 1.816 7.208 18.401 128 U 1.171e+003 0.00e+000 - 0 0 0 0 0 1845 2.514 0.530 44.105 64 U 1.630e+003 0.00e+000 - 0 0 0 0 0 1846 1.069 8.286 21.682 0 U 1.371e+003 0.00e+000 - 0 0 0 0 0 1847 2.523 0.788 36.448 192 U 1.422e+003 0.00e+000 - 0 0 0 0 0 1848 2.555 6.623 40.277 128 U 9.131e+002 0.00e+000 - 0 0 0 0 0 1849 3.366 4.069 62.700 64 U 1.332e+003 0.00e+000 - 0 0 0 0 0 1850 3.191 7.865 28.245 0 U 1.210e+003 0.00e+000 - 0 0 0 0 0 1851 -0.600 1.186 21.682 128 U 1.607e+003 0.00e+000 - 0 0 0 0 0 1852 3.566 7.419 40.277 64 U 1.124e+003 0.00e+000 - 0 0 0 0 0 1854 2.971 4.373 29.339 192 U 1.653e+003 0.00e+000 - 0 0 0 0 0 1855 1.948 7.326 32.620 128 U 2.702e+002 0.00e+000 - 0 0 0 0 0 1856 2.915 3.881 38.089 64 U 1.468e+003 0.00e+000 - 0 0 0 0 0 1857 1.482 2.288 44.652 0 U 1.074e+003 0.00e+000 - 0 0 0 0 0 1858 2.505 0.413 33.167 192 U 1.306e+003 0.00e+000 - 0 0 0 0 0 1859 0.926 1.233 40.277 128 U 2.598e+003 0.00e+000 - 0 0 0 0 0 1860 3.448 6.459 44.105 64 U 2.225e+003 0.00e+000 - 0 0 0 0 0 1861 2.537 8.919 35.902 0 U 1.647e+003 0.00e+000 - 0 0 0 0 0 1862 2.637 7.771 43.558 192 U 1.116e+003 0.00e+000 - 0 0 0 0 0 1863 0.729 8.427 12.932 128 U 1.793e+003 0.00e+000 - 0 0 0 0 0 1864 2.795 7.208 38.089 64 U 1.362e+003 0.00e+000 - 0 0 0 0 0 1865 3.742 4.584 63.246 0 U 1.654e+003 0.00e+000 - 0 0 0 0 0 1866 1.594 6.740 27.698 192 U 1.130e+003 0.00e+000 - 0 0 0 0 0 1867 0.703 5.662 28.792 128 U 1.631e+003 0.00e+000 - 0 0 0 0 0 1868 -0.536 6.177 21.135 64 U 8.142e+002 0.00e+000 - 0 0 0 0 0 1869 1.468 2.522 32.620 0 U 1.655e+003 0.00e+000 - 0 0 0 0 0 1870 1.714 -0.946 28.792 192 U 1.653e+003 0.00e+000 - 0 0 0 0 0 1871 1.441 -0.126 37.542 128 U 1.422e+003 0.00e+000 - 0 0 0 0 0 1872 4.029 2.006 47.933 64 U 1.287e+003 0.00e+000 - 0 0 0 0 0 1873 2.449 7.396 38.089 0 U 1.778e+003 0.00e+000 - 0 0 0 0 0 1874 4.366 4.889 43.558 192 U 1.354e+003 0.00e+000 - 0 0 0 0 0 1875 3.015 1.444 39.183 128 U 1.346e+003 0.00e+000 - 0 0 0 0 0 1876 3.771 2.217 59.965 64 U 6.415e+002 0.00e+000 - 0 0 0 0 0 1877 2.904 3.717 39.183 192 U 1.707e+003 0.00e+000 - 0 0 0 0 0 1878 4.052 7.607 46.292 128 U 1.230e+003 0.00e+000 - 0 0 0 0 0 1879 3.791 1.280 63.793 64 U 1.633e+003 0.00e+000 - 0 0 0 0 0 1880 2.177 3.670 29.339 0 U 1.387e+003 0.00e+000 - 0 0 0 0 0 1881 4.222 2.803 52.855 192 U 2.129e+003 0.00e+000 - 0 0 0 0 0 1882 1.901 7.255 32.073 128 U 5.848e+002 0.00e+000 - 0 0 0 0 0 1883 1.005 7.958 14.026 64 U 1.641e+003 0.00e+000 - 0 0 0 0 0 1884 4.295 2.686 55.590 0 U 4.084e+002 0.00e+000 - 0 0 0 0 0 1885 3.545 2.756 59.418 192 U 1.653e+003 0.00e+000 - 0 0 0 0 0 1886 2.452 3.764 39.730 128 U 1.392e+003 0.00e+000 - 0 0 0 0 0 1887 3.739 7.232 64.340 64 U 1.175e+003 0.00e+000 - 0 0 0 0 0 1888 0.331 1.397 18.948 0 U 9.130e+002 0.00e+000 - 0 0 0 0 0 1889 2.602 4.397 36.448 192 U 1.609e+003 0.00e+000 - 0 0 0 0 0 1890 1.046 -0.829 20.588 128 U 1.659e+003 0.00e+000 - 0 0 0 0 0 1891 0.867 0.905 40.277 64 U 2.238e+003 0.00e+000 - 0 0 0 0 0 1892 2.728 4.209 32.073 0 U 1.457e+003 0.00e+000 - 0 0 0 0 0 1893 3.364 4.139 63.246 192 U 1.350e+003 0.00e+000 - 0 0 0 0 0 1894 0.366 0.999 29.339 128 U 1.345e+003 0.00e+000 - 0 0 0 0 0 1895 0.718 6.599 16.760 64 U 1.650e+003 0.00e+000 - 0 0 0 0 0 1896 4.492 8.193 55.043 0 U 1.342e+003 0.00e+000 - 0 0 0 0 0 1897 1.102 3.858 17.307 192 U 1.879e+003 0.00e+000 - 0 0 0 0 0 1898 4.322 3.740 52.308 128 U 1.145e+003 0.00e+000 - 0 0 0 0 0 1899 1.348 8.638 46.839 64 U 1.307e+003 0.00e+000 - 0 0 0 0 0 1900 3.536 4.748 52.308 0 U 1.419e+003 0.00e+000 - 0 0 0 0 0 1901 3.226 0.061 28.245 192 U 1.662e+003 0.00e+000 - 0 0 0 0 0 1902 1.043 8.146 12.932 128 U 1.662e+003 0.00e+000 - 0 0 0 0 0 1903 4.243 6.834 60.512 64 U 1.269e+003 0.00e+000 - 0 0 0 0 0 1904 3.018 5.685 41.917 0 U 1.295e+003 0.00e+000 - 0 0 0 0 0 1905 0.949 6.998 39.730 192 U 1.441e+003 0.00e+000 - 0 0 0 0 0 1906 3.835 8.474 45.746 128 U 1.640e+003 0.00e+000 - 0 0 0 0 0 1907 1.869 3.576 18.401 64 U 1.351e+003 0.00e+000 - 0 0 0 0 0 1908 4.471 -0.313 53.402 0 U 1.663e+003 0.00e+000 - 0 0 0 0 0 1909 1.860 4.397 19.494 192 U 1.607e+003 0.00e+000 - 0 0 0 0 0 1910 4.017 4.537 59.418 128 U 6.393e+002 0.00e+000 - 0 0 0 0 0 1911 1.075 8.169 16.760 64 U 7.906e+002 0.00e+000 - 0 0 0 0 0 1912 4.454 9.200 62.153 0 U 1.664e+003 0.00e+000 - 0 0 0 0 0 1913 3.961 7.747 62.700 192 U 1.430e+003 0.00e+000 - 0 0 0 0 0 1914 4.166 3.600 65.434 128 U 1.744e+003 0.00e+000 - 0 0 0 0 0 1915 2.523 2.006 40.277 64 U 1.113e+003 0.00e+000 - 0 0 0 0 0 1916 3.366 2.288 44.652 0 U 1.665e+003 0.00e+000 - 0 0 0 0 0 1917 4.108 0.132 59.965 192 U 6.035e+002 0.00e+000 - 0 0 0 0 0 1918 3.015 6.084 41.917 128 U 1.282e+003 0.00e+000 - 0 0 0 0 0 1919 4.064 6.670 62.700 64 U 1.205e+003 0.00e+000 - 0 0 0 0 0 1920 2.048 8.685 32.620 0 U 1.643e+003 0.00e+000 - 0 0 0 0 0 1921 0.630 8.380 12.385 192 U 3.499e+003 0.00e+000 - 0 0 0 0 0 1922 4.342 1.866 43.558 128 U 1.674e+003 0.00e+000 - 0 0 0 0 0 1923 1.989 3.694 31.526 64 U 1.357e+003 0.00e+000 - 0 0 0 0 0 1924 3.701 2.522 50.668 0 U 1.965e+003 0.00e+000 - 0 0 0 0 0 1925 0.864 7.255 40.277 192 U 1.471e+003 0.00e+000 - 0 0 0 0 0 1926 2.681 3.647 35.355 128 U 1.005e+003 0.00e+000 - 0 0 0 0 0 1927 1.898 3.037 26.057 64 U 1.379e+003 0.00e+000 - 0 0 0 0 0 1928 1.855 0.835 35.355 0 U 1.085e+003 0.00e+000 - 0 0 0 0 0 1929 2.836 3.553 40.824 192 U 1.017e+003 0.00e+000 - 0 0 0 0 0 1930 1.594 8.076 18.948 128 U 1.125e+003 0.00e+000 - 0 0 0 0 0 1931 2.763 0.671 40.824 64 U 1.703e+002 0.00e+000 - 0 0 0 0 0 1932 3.727 8.146 50.121 0 U 1.552e+003 0.00e+000 - 0 0 0 0 0 1933 -0.683 2.170 23.870 192 U 1.667e+003 0.00e+000 - 0 0 0 0 0 1934 3.642 1.936 55.043 128 U 1.265e+003 0.00e+000 - 0 0 0 0 0 1935 0.911 -0.196 22.229 64 U 1.369e+003 0.00e+000 - 0 0 0 0 0 1936 1.685 7.654 25.510 0 U 1.076e+003 0.00e+000 - 0 0 0 0 0 1937 2.291 0.061 35.902 192 U 9.307e+002 0.00e+000 - 0 0 0 0 0 1938 1.318 2.920 41.917 128 U 1.386e+003 0.00e+000 - 0 0 0 0 0 1939 2.338 0.952 35.355 64 U 1.236e+003 0.00e+000 - 0 0 0 0 0 1940 1.397 4.397 41.370 0 U 1.232e+003 0.00e+000 - 0 0 0 0 0 1941 3.155 4.303 28.245 192 U 1.436e+003 0.00e+000 - 0 0 0 0 0 1942 1.913 -0.618 30.433 128 U 1.644e+003 0.00e+000 - 0 0 0 0 0 1943 1.354 7.958 47.386 64 U 1.539e+003 0.00e+000 - 0 0 0 0 0 1944 2.871 2.264 40.824 0 U 1.592e+003 0.00e+000 - 0 0 0 0 0 1945 0.981 0.389 12.932 192 U 2.475e+003 0.00e+000 - 0 0 0 0 0 1946 2.751 7.208 37.542 128 U 1.380e+003 0.00e+000 - 0 0 0 0 0 1947 0.706 8.427 28.792 64 U 1.669e+003 0.00e+000 - 0 0 0 0 0 1948 1.102 7.044 26.604 0 U 1.293e+003 0.00e+000 - 0 0 0 0 0 1950 2.484 1.585 39.730 128 U 5.789e+002 0.00e+000 - 0 0 0 0 0 1951 2.584 0.530 37.542 64 U 5.172e+002 0.00e+000 - 0 0 0 0 0 1952 1.406 4.467 41.917 0 U 1.194e+003 0.00e+000 - 0 0 0 0 0 1953 3.284 7.185 28.245 192 U 4.975e+002 0.00e+000 - 0 0 0 0 0 1954 3.636 2.780 63.246 128 U 1.672e+003 0.00e+000 - 0 0 0 0 0 1955 1.881 -0.243 30.979 64 U 1.779e+003 0.00e+000 - 0 0 0 0 0 1956 3.648 8.732 55.043 0 U 1.290e+003 0.00e+000 - 0 0 0 0 0 1957 3.686 6.459 40.824 192 U 1.290e+003 0.00e+000 - 0 0 0 0 0 1958 2.854 3.834 38.636 128 U 9.204e+002 0.00e+000 - 0 0 0 0 0 1959 1.784 8.661 26.604 64 U 1.624e+003 0.00e+000 - 0 0 0 0 0 1960 2.206 1.444 37.542 0 U 1.680e+003 0.00e+000 - 0 0 0 0 0 1961 3.270 9.927 30.433 192 U 1.674e+003 0.00e+000 - 0 0 0 0 0 1962 1.236 -0.571 23.323 128 U 1.287e+003 0.00e+000 - 0 0 0 0 0 1963 3.569 10.419 61.059 64 U 1.674e+003 0.00e+000 - 0 0 0 0 0 1964 0.759 9.130 25.510 0 U 1.674e+003 0.00e+000 - 0 0 0 0 0 1965 1.755 -0.571 27.151 192 U 1.638e+003 0.00e+000 - 0 0 0 0 0 1966 2.007 0.413 28.792 128 U 1.079e+003 0.00e+000 - 0 0 0 0 0 1967 1.737 7.115 17.854 64 U 5.557e+002 0.00e+000 - 0 0 0 0 0 1968 1.028 9.435 27.151 0 U 1.061e+003 0.00e+000 - 0 0 0 0 0 1969 3.050 4.139 38.089 192 U 1.152e+003 0.00e+000 - 0 0 0 0 0 1970 2.827 3.459 40.277 128 U 9.956e+002 0.00e+000 - 0 0 0 0 0 1971 4.002 8.872 51.215 64 U 9.800e+002 0.00e+000 - 0 0 0 0 0 1972 4.260 7.208 61.606 0 U 1.412e+003 0.00e+000 - 0 0 0 0 0 1973 2.704 1.444 32.073 192 U 1.432e+003 0.00e+000 - 0 0 0 0 0 1974 3.135 9.505 26.604 128 U 1.626e+003 0.00e+000 - 0 0 0 0 0 1975 1.354 2.780 38.636 64 U 1.624e+003 0.00e+000 - 0 0 0 0 0 1976 1.767 10.489 28.245 0 U 1.447e+003 0.00e+000 - 0 0 0 0 0 1977 0.627 2.545 12.385 192 U 1.466e+003 0.00e+000 - 0 0 0 0 0 1978 1.506 8.661 38.089 128 U 1.553e+003 0.00e+000 - 0 0 0 0 0 1979 4.457 1.866 64.340 64 U 8.742e+002 0.00e+000 - 0 0 0 0 0 1980 1.732 2.311 44.652 0 U 1.677e+003 0.00e+000 - 0 0 0 0 0 1981 0.949 7.138 17.854 192 U 2.460e+003 0.00e+000 - 0 0 0 0 0 1982 1.061 6.857 21.682 128 U 1.351e+003 0.00e+000 - 0 0 0 0 0 1983 2.567 4.373 44.652 64 U 6.038e+002 0.00e+000 - 0 0 0 0 0 1984 1.005 10.349 17.307 0 U 1.677e+003 0.00e+000 - 0 0 0 0 0 1985 3.759 1.561 63.793 192 U 1.172e+003 0.00e+000 - 0 0 0 0 0 1986 4.659 0.835 52.855 128 U 1.016e+003 0.00e+000 - 0 0 0 0 0 1987 4.184 1.257 63.793 64 U 1.663e+003 0.00e+000 - 0 0 0 0 0 1988 3.554 7.068 52.308 0 U 2.035e+003 0.00e+000 - 0 0 0 0 0 1989 3.847 3.014 60.512 192 U 1.647e+003 0.00e+000 - 0 0 0 0 0 1990 2.537 6.787 38.089 128 U 1.186e+003 0.00e+000 - 0 0 0 0 0 1991 2.795 2.006 35.902 64 U 8.106e+001 0.00e+000 - 0 0 0 0 0 1992 3.958 1.186 63.793 0 U 1.677e+003 0.00e+000 - 0 0 0 0 0 1993 0.770 1.678 46.839 192 U 1.236e+003 0.00e+000 - 0 0 0 0 0 1994 3.041 3.834 28.245 128 U 1.648e+003 0.00e+000 - 0 0 0 0 0 1995 3.337 2.053 62.700 64 U 1.133e+003 0.00e+000 - 0 0 0 0 0 1996 1.500 3.951 30.979 0 U 8.881e+002 0.00e+000 - 0 0 0 0 0 1997 2.464 5.357 42.464 192 U 1.679e+003 0.00e+000 - 0 0 0 0 0 1998 4.078 7.185 63.246 128 U 1.416e+003 0.00e+000 - 0 0 0 0 0 1999 3.871 6.998 52.308 64 U 1.544e+003 0.00e+000 - 0 0 0 0 0 2000 3.835 1.467 50.668 0 U 9.620e+002 0.00e+000 - 0 0 0 0 0 2001 2.883 7.185 38.089 192 U 1.630e+003 0.00e+000 - 0 0 0 0 0 2002 0.691 -0.126 20.588 128 U 2.924e+003 0.00e+000 - 0 0 0 0 0 2003 2.074 0.413 28.792 0 U 1.077e+003 0.00e+000 - 0 0 0 0 0 2004 3.387 3.178 28.792 192 U 1.120e+003 0.00e+000 - 0 0 0 0 0 2005 1.157 4.209 27.151 128 U 2.333e+003 0.00e+000 - 0 0 0 0 0 2006 0.870 4.631 16.760 64 U 1.351e+003 0.00e+000 - 0 0 0 0 0 2007 2.602 8.122 38.636 0 U 9.024e+002 0.00e+000 - 0 0 0 0 0 2008 1.773 6.857 18.401 192 U 4.010e+003 0.00e+000 - 0 0 0 0 0 2009 4.078 1.866 46.292 128 U 1.670e+003 0.00e+000 - 0 0 0 0 0 2010 1.494 2.616 36.995 64 U 9.575e+002 0.00e+000 - 0 0 0 0 0 2011 1.491 7.162 19.494 0 U 1.356e+003 0.00e+000 - 0 0 0 0 0 2012 4.055 0.460 57.777 192 U 1.802e+003 0.00e+000 - 0 0 0 0 0 2013 1.916 2.217 35.902 128 U 1.565e+003 0.00e+000 - 0 0 0 0 0 2014 3.238 7.771 39.183 64 U 7.860e+002 0.00e+000 - 0 0 0 0 0 2015 1.330 -0.993 24.417 0 U 1.460e+003 0.00e+000 - 0 0 0 0 0 2016 3.018 2.475 27.698 192 U 1.460e+003 0.00e+000 - 0 0 0 0 0 2017 4.111 2.053 50.668 128 U 1.683e+003 0.00e+000 - 0 0 0 0 0 2018 0.621 7.630 24.417 64 U 2.708e+003 0.00e+000 - 0 0 0 0 0 2019 1.409 2.077 46.292 0 U 1.685e+003 0.00e+000 - 0 0 0 0 0 2020 1.632 7.185 31.526 192 U 1.643e+003 0.00e+000 - 0 0 0 0 0 2021 4.040 4.889 46.839 128 U 1.712e+003 0.00e+000 - 0 0 0 0 0 2022 0.650 6.482 23.870 64 U 1.565e+003 0.00e+000 - 0 0 0 0 0 2023 2.291 6.201 32.620 0 U 1.685e+003 0.00e+000 - 0 0 0 0 0 2024 0.861 5.685 16.213 192 U 1.171e+003 0.00e+000 - 0 0 0 0 0 2025 4.284 9.060 59.965 128 U 1.686e+003 0.00e+000 - 0 0 0 0 0 2026 1.591 3.553 34.808 64 U 1.250e+003 0.00e+000 - 0 0 0 0 0 2027 2.819 5.357 31.526 0 U 1.094e+003 0.00e+000 - 0 0 0 0 0 2028 0.735 4.608 22.229 192 U 1.657e+003 0.00e+000 - 0 0 0 0 0 2029 1.658 -0.313 34.808 128 U 1.686e+003 0.00e+000 - 0 0 0 0 0 2030 0.847 7.068 40.824 64 U 1.475e+003 0.00e+000 - 0 0 0 0 0 2031 3.639 6.623 71.997 0 U 1.687e+003 0.00e+000 - 0 0 0 0 0 2032 1.433 8.310 41.917 192 U 1.908e+003 0.00e+000 - 0 0 0 0 0 2033 3.791 0.999 64.340 128 U 1.621e+003 0.00e+000 - 0 0 0 0 0 2034 1.978 0.483 27.698 64 U 1.493e+003 0.00e+000 - 0 0 0 0 0 2035 3.765 2.991 62.700 0 U 1.478e+003 0.00e+000 - 0 0 0 0 0 2036 2.493 7.115 48.480 192 U 1.688e+003 0.00e+000 - 0 0 0 0 0 2037 2.347 8.638 40.277 128 U 1.226e+003 0.00e+000 - 0 0 0 0 0 2038 2.236 3.201 35.355 64 U 1.648e+003 0.00e+000 - 0 0 0 0 0 2039 0.970 6.951 24.963 0 U 1.442e+003 0.00e+000 - 0 0 0 0 0 2040 1.230 6.248 22.776 192 U 4.167e+003 0.00e+000 - 0 0 0 0 0 2041 2.080 2.381 24.417 128 U 1.230e+003 0.00e+000 - 0 0 0 0 0 2042 0.999 3.225 13.479 64 U 1.218e+003 0.00e+000 - 0 0 0 0 0 2043 1.049 9.458 27.151 0 U 1.102e+003 0.00e+000 - 0 0 0 0 0 2044 3.091 7.560 39.730 192 U 1.328e+003 0.00e+000 - 0 0 0 0 0 2045 4.120 4.889 59.965 128 U 1.688e+003 0.00e+000 - 0 0 0 0 0 2046 0.685 3.389 12.932 64 U 1.318e+003 0.00e+000 - 0 0 0 0 0 2047 1.307 4.748 21.682 0 U 3.560e+003 0.00e+000 - 0 0 0 0 0 2048 2.575 7.724 35.902 192 U 1.133e+003 0.00e+000 - 0 0 0 0 0 2049 0.876 7.982 21.682 128 U 2.275e+003 0.00e+000 - 0 0 0 0 0 2050 1.046 2.592 26.604 64 U 9.377e+002 0.00e+000 - 0 0 0 0 0 2051 2.572 1.421 33.167 0 U 1.518e+003 0.00e+000 - 0 0 0 0 0 2052 0.627 3.811 21.135 192 U 9.931e+002 0.00e+000 - 0 0 0 0 0 2053 1.102 0.061 26.057 128 U 1.686e+003 0.00e+000 - 0 0 0 0 0 2054 1.556 4.350 16.760 64 U 9.144e+002 0.00e+000 - 0 0 0 0 0 2055 0.337 6.787 20.041 0 U 1.793e+003 0.00e+000 - 0 0 0 0 0 2056 0.726 8.872 25.510 192 U 3.145e+002 0.00e+000 - 0 0 0 0 0 2057 1.752 7.583 17.854 128 U 1.102e+003 0.00e+000 - 0 0 0 0 0 2058 0.469 0.061 21.682 64 U 1.076e+003 0.00e+000 - 0 0 0 0 0 2059 1.846 4.561 26.604 0 U 7.127e+002 0.00e+000 - 0 0 0 0 0 2060 3.252 3.530 43.558 192 U 1.450e+003 0.00e+000 - 0 0 0 0 0 2061 4.178 7.982 63.246 128 U 7.866e+002 0.00e+000 - 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0 0 0 0 0 10788 4.791 2.241 61.059 192 U 3.513e+004 0.00e+000 - 0 0 0 0 0 10789 4.873 9.036 56.684 128 U 3.947e+004 0.00e+000 - 0 0 0 0 0 10790 4.791 3.201 55.590 64 U 3.870e+004 0.00e+000 - 0 0 0 0 0 10791 4.881 7.630 51.762 0 U 2.284e+004 0.00e+000 - 0 0 0 0 0 10792 4.799 6.693 58.871 192 U 3.801e+004 0.00e+000 - 0 0 0 0 0 10793 4.793 8.755 57.777 128 U 3.836e+004 0.00e+000 - 0 0 0 0 0 10794 4.873 -0.337 61.059 64 U 3.983e+004 0.00e+000 - 0 0 0 0 0 10795 4.791 2.428 56.684 0 U 3.974e+004 0.00e+000 - 0 0 0 0 0 10796 4.878 0.085 60.512 192 U 3.872e+004 0.00e+000 - 0 0 0 0 0 10797 4.791 9.318 45.746 128 U 4.016e+004 0.00e+000 - 0 0 0 0 0 10798 4.878 5.357 60.512 64 U 4.041e+004 0.00e+000 - 0 0 0 0 0 10799 4.793 8.638 56.137 0 U 3.869e+004 0.00e+000 - 0 0 0 0 0 10800 4.870 3.319 59.418 192 U 4.013e+004 0.00e+000 - 0 0 0 0 0 10801 4.878 7.935 61.606 128 U 4.058e+004 0.00e+000 - 0 0 0 0 0 10802 4.887 4.373 51.762 64 U 2.465e+004 0.00e+000 - 0 0 0 0 0 10803 4.884 6.248 53.402 0 U 3.968e+004 0.00e+000 - 0 0 0 0 0 10804 4.881 -0.899 61.059 192 U 3.735e+004 0.00e+000 - 0 0 0 0 0 10805 4.793 6.951 52.308 128 U 4.106e+004 0.00e+000 - 0 0 0 0 0 10806 4.791 0.835 51.215 64 U 4.161e+004 0.00e+000 - 0 0 0 0 0 10807 4.881 8.685 56.137 0 U 4.159e+004 0.00e+000 - 0 0 0 0 0 10808 4.884 9.013 61.059 192 U 3.970e+004 0.00e+000 - 0 0 0 0 0 10809 4.878 -0.969 52.308 128 U 4.084e+004 0.00e+000 - 0 0 0 0 0 10810 4.791 1.022 51.762 64 U 4.248e+004 0.00e+000 - 0 0 0 0 0 10811 4.873 2.944 52.308 0 U 4.041e+004 0.00e+000 - 0 0 0 0 0 10812 4.878 0.882 56.137 192 U 3.139e+004 0.00e+000 - 0 0 0 0 0 10813 4.878 2.194 58.871 128 U 3.489e+004 0.00e+000 - 0 0 0 0 0 10814 4.878 -0.923 62.700 64 U 3.930e+004 0.00e+000 - 0 0 0 0 0 10815 5.013 4.982 53.402 0 U 4.323e+004 0.00e+000 - 0 0 0 0 0 10816 4.796 8.544 62.700 192 U 4.329e+004 0.00e+000 - 0 0 0 0 0 10817 4.791 1.632 53.402 128 U 4.455e+004 0.00e+000 - 0 0 0 0 0 10818 4.873 -0.126 62.700 64 U 4.475e+004 0.00e+000 - 0 0 0 0 0 10819 4.791 9.646 58.324 0 U 4.532e+004 0.00e+000 - 0 0 0 0 0 10820 4.791 5.545 51.762 192 U 4.567e+004 0.00e+000 - 0 0 0 0 0 10821 4.791 -0.618 62.700 128 U 4.529e+004 0.00e+000 - 0 0 0 0 0 10822 4.878 9.575 51.215 64 U 3.179e+004 0.00e+000 - 0 0 0 0 0 10823 4.878 5.357 56.684 0 U 3.812e+004 0.00e+000 - 0 0 0 0 0 10824 4.791 1.702 57.230 192 U 4.615e+004 0.00e+000 - 0 0 0 0 0 10825 4.791 3.365 62.153 128 U 4.620e+004 0.00e+000 - 0 0 0 0 0 10826 4.867 5.943 58.871 64 U 4.684e+004 0.00e+000 - 0 0 0 0 0 10827 4.870 1.491 52.855 0 U 4.722e+004 0.00e+000 - 0 0 0 0 0 10828 4.881 6.177 61.606 192 U 4.116e+004 0.00e+000 - 0 0 0 0 0 10829 4.878 2.733 51.215 128 U 4.705e+004 0.00e+000 - 0 0 0 0 0 10830 4.887 2.053 53.402 64 U 4.760e+004 0.00e+000 - 0 0 0 0 0 10831 4.791 7.583 56.137 0 U 4.858e+004 0.00e+000 - 0 0 0 0 0 10832 4.878 2.991 56.684 192 U 4.761e+004 0.00e+000 - 0 0 0 0 0 10833 4.878 3.436 62.700 128 U 5.093e+004 0.00e+000 - 0 0 0 0 0 10834 4.793 4.537 61.606 64 U 5.102e+004 0.00e+000 - 0 0 0 0 0 10835 4.791 0.483 57.230 0 U 3.423e+004 0.00e+000 - 0 0 0 0 0 10836 4.793 3.201 61.059 192 U 5.379e+004 0.00e+000 - 0 0 0 0 0 10837 4.881 9.974 60.512 128 U 3.529e+004 0.00e+000 - 0 0 0 0 0 10838 4.791 9.083 56.684 64 U 5.463e+004 0.00e+000 - 0 0 0 0 0 10839 4.876 0.647 56.137 0 U 5.622e+004 0.00e+000 - 0 0 0 0 0 10840 4.791 10.067 46.292 192 U 5.709e+004 0.00e+000 - 0 0 0 0 0 10841 4.793 1.983 56.137 128 U 5.780e+004 0.00e+000 - 0 0 0 0 0 10842 4.793 4.584 56.684 64 U 5.589e+004 0.00e+000 - 0 0 0 0 0 10843 4.849 4.818 51.762 0 U 5.423e+004 0.00e+000 - 0 0 0 0 0 10844 4.791 3.436 56.137 192 U 5.891e+004 0.00e+000 - 0 0 0 0 0 10845 4.793 3.272 58.324 128 U 5.907e+004 0.00e+000 - 0 0 0 0 0 10846 4.791 7.935 61.059 64 U 6.125e+004 0.00e+000 - 0 0 0 0 0 10847 4.793 0.483 45.199 0 U 6.258e+004 0.00e+000 - 0 0 0 0 0 10848 4.791 4.795 45.746 192 U 6.523e+004 0.00e+000 - 0 0 0 0 0 10849 4.791 -0.524 46.292 128 U 6.620e+004 0.00e+000 - 0 0 0 0 0 10850 4.793 2.311 53.402 64 U 5.640e+004 0.00e+000 - 0 0 0 0 0 10851 4.876 8.076 51.215 0 U 5.845e+004 0.00e+000 - 0 0 0 0 0 10852 4.791 4.772 53.402 192 U 7.927e+004 0.00e+000 - 0 0 0 0 0 10853 4.793 7.232 53.402 128 U 8.117e+004 0.00e+000 - 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . folded 12.0018 ppm . . . 4.753 . . 34817 1 2 . . H 1 H . aliased 11.9977 ppm . . . 4.753 . . 34817 1 3 . . C 13 C-aliphatic . folded 70 ppm . . . 40.027 . . 34817 1 stop_ save_