data_26940 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26940 _Entry.Title ; Backbone 1H, 15N and 13C assignments for LITAF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-09 _Entry.Accession_date 2016-11-09 _Entry.Last_release_date 2016-11-09 _Entry.Original_release_date 2016-11-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Protein assignment for use in ligand binding and structural characterisation.' _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 Anita Ho . K. . . 26940 2 Jane Wagstaff . L. . . 26940 3 Paul Manna . T. . . 26940 4 Lena Wartosch . . . . 26940 5 Seema Qamar . . . . 26940 6 Elspeth Garman . F. . . 26940 7 Stefan Freund . MV . . 26940 8 Rhys Roberts . C. . . 26940 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CIMR, University of Cambridge' . 26940 2 . 'MRC LMB' . 26940 3 . 'Dept of Biochemistry, University of Oxford' . 26940 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26940 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 26940 '15N chemical shifts' 126 26940 '1H chemical shifts' 327 26940 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 . . 2016-12-13 . original BMRB . 26940 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26940 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27927196 _Citation.Full_citation . _Citation.Title ; The topology, structure and PE interaction of LITAF underpin a Charcot-Marie-Tooth disease type 1C ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 109 _Citation.Page_last 109 _Citation.Year 2016 _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 Anita Ho . K. . . 26940 1 2 Jane Wagstaff . L. . . 26940 1 3 Paul Manna . T. . . 26940 1 4 Lena Wartosch . . . . 26940 1 5 Seema Qamar . . . . 26940 1 6 Elspeth Garman . F. . . 26940 1 7 Stefan Freund . MV . . 26940 1 8 Rhys Roberts . C. . . 26940 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Charcot-Marie-Tooth disease' 26940 1 Endosomes 26940 1 LITAF 26940 1 Neuropathy 26940 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26940 _Assembly.ID 1 _Assembly.Name 'LITAF delta114-139' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'LITAF delta114-139' 1 $LITAF_delta114-139 A . yes native no no . . . 26940 1 2 'ZINC ION' 2 $entity_ZN A . no native no no . . . 26940 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 96 96 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 26940 1 2 coordination single . 1 . 1 CYS 99 99 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 26940 1 3 coordination single . 1 . 1 CYS 130 130 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 26940 1 4 coordination single . 1 . 1 CYS 133 133 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 26940 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LITAF_delta114-139 _Entity.Sf_category entity _Entity.Sf_framecode LITAF_delta114-139 _Entity.Entry_ID 26940 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LITAF_delta114-139 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSVPGPYQAATGPSSAPSAP PSYEETVAVNSYYPTPPAPM PGPTTGLVTGPDGKGMNPPS YYTQPAPIPNNNPITVQTVY VQHPITFLDRPIQMCCPSCN KMIVSQLSYNAGASGSGSGS GALQDVDHYCPNCRALLGTY KRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26940 1 2 . SER . 26940 1 3 . VAL . 26940 1 4 . PRO . 26940 1 5 . GLY . 26940 1 6 . PRO . 26940 1 7 . TYR . 26940 1 8 . GLN . 26940 1 9 . ALA . 26940 1 10 . ALA . 26940 1 11 . THR . 26940 1 12 . GLY . 26940 1 13 . PRO . 26940 1 14 . SER . 26940 1 15 . SER . 26940 1 16 . ALA . 26940 1 17 . PRO . 26940 1 18 . SER . 26940 1 19 . ALA . 26940 1 20 . PRO . 26940 1 21 . PRO . 26940 1 22 . SER . 26940 1 23 . TYR . 26940 1 24 . GLU . 26940 1 25 . GLU . 26940 1 26 . THR . 26940 1 27 . VAL . 26940 1 28 . ALA . 26940 1 29 . VAL . 26940 1 30 . ASN . 26940 1 31 . SER . 26940 1 32 . TYR . 26940 1 33 . TYR . 26940 1 34 . PRO . 26940 1 35 . THR . 26940 1 36 . PRO . 26940 1 37 . PRO . 26940 1 38 . ALA . 26940 1 39 . PRO . 26940 1 40 . MET . 26940 1 41 . PRO . 26940 1 42 . GLY . 26940 1 43 . PRO . 26940 1 44 . THR . 26940 1 45 . THR . 26940 1 46 . GLY . 26940 1 47 . LEU . 26940 1 48 . VAL . 26940 1 49 . THR . 26940 1 50 . GLY . 26940 1 51 . PRO . 26940 1 52 . ASP . 26940 1 53 . GLY . 26940 1 54 . LYS . 26940 1 55 . GLY . 26940 1 56 . MET . 26940 1 57 . ASN . 26940 1 58 . PRO . 26940 1 59 . PRO . 26940 1 60 . SER . 26940 1 61 . TYR . 26940 1 62 . TYR . 26940 1 63 . THR . 26940 1 64 . GLN . 26940 1 65 . PRO . 26940 1 66 . ALA . 26940 1 67 . PRO . 26940 1 68 . ILE . 26940 1 69 . PRO . 26940 1 70 . ASN . 26940 1 71 . ASN . 26940 1 72 . ASN . 26940 1 73 . PRO . 26940 1 74 . ILE . 26940 1 75 . THR . 26940 1 76 . VAL . 26940 1 77 . GLN . 26940 1 78 . THR . 26940 1 79 . VAL . 26940 1 80 . TYR . 26940 1 81 . VAL . 26940 1 82 . GLN . 26940 1 83 . HIS . 26940 1 84 . PRO . 26940 1 85 . ILE . 26940 1 86 . THR . 26940 1 87 . PHE . 26940 1 88 . LEU . 26940 1 89 . ASP . 26940 1 90 . ARG . 26940 1 91 . PRO . 26940 1 92 . ILE . 26940 1 93 . GLN . 26940 1 94 . MET . 26940 1 95 . CYS . 26940 1 96 . CYS . 26940 1 97 . PRO . 26940 1 98 . SER . 26940 1 99 . CYS . 26940 1 100 . ASN . 26940 1 101 . LYS . 26940 1 102 . MET . 26940 1 103 . ILE . 26940 1 104 . VAL . 26940 1 105 . SER . 26940 1 106 . GLN . 26940 1 107 . LEU . 26940 1 108 . SER . 26940 1 109 . TYR . 26940 1 110 . ASN . 26940 1 111 . ALA . 26940 1 112 . GLY . 26940 1 113 . ALA . 26940 1 114 . SER . 26940 1 115 . GLY . 26940 1 116 . SER . 26940 1 117 . GLY . 26940 1 118 . SER . 26940 1 119 . GLY . 26940 1 120 . SER . 26940 1 121 . GLY . 26940 1 122 . ALA . 26940 1 123 . LEU . 26940 1 124 . GLN . 26940 1 125 . ASP . 26940 1 126 . VAL . 26940 1 127 . ASP . 26940 1 128 . HIS . 26940 1 129 . TYR . 26940 1 130 . CYS . 26940 1 131 . PRO . 26940 1 132 . ASN . 26940 1 133 . CYS . 26940 1 134 . ARG . 26940 1 135 . ALA . 26940 1 136 . LEU . 26940 1 137 . LEU . 26940 1 138 . GLY . 26940 1 139 . THR . 26940 1 140 . TYR . 26940 1 141 . LYS . 26940 1 142 . ARG . 26940 1 143 . LEU . 26940 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 26940 1 . SER 2 2 26940 1 . VAL 3 3 26940 1 . PRO 4 4 26940 1 . GLY 5 5 26940 1 . PRO 6 6 26940 1 . TYR 7 7 26940 1 . GLN 8 8 26940 1 . ALA 9 9 26940 1 . ALA 10 10 26940 1 . THR 11 11 26940 1 . GLY 12 12 26940 1 . PRO 13 13 26940 1 . SER 14 14 26940 1 . SER 15 15 26940 1 . ALA 16 16 26940 1 . PRO 17 17 26940 1 . SER 18 18 26940 1 . ALA 19 19 26940 1 . PRO 20 20 26940 1 . PRO 21 21 26940 1 . SER 22 22 26940 1 . TYR 23 23 26940 1 . GLU 24 24 26940 1 . GLU 25 25 26940 1 . THR 26 26 26940 1 . VAL 27 27 26940 1 . ALA 28 28 26940 1 . VAL 29 29 26940 1 . ASN 30 30 26940 1 . SER 31 31 26940 1 . TYR 32 32 26940 1 . TYR 33 33 26940 1 . PRO 34 34 26940 1 . THR 35 35 26940 1 . PRO 36 36 26940 1 . PRO 37 37 26940 1 . ALA 38 38 26940 1 . PRO 39 39 26940 1 . MET 40 40 26940 1 . PRO 41 41 26940 1 . GLY 42 42 26940 1 . PRO 43 43 26940 1 . THR 44 44 26940 1 . THR 45 45 26940 1 . GLY 46 46 26940 1 . LEU 47 47 26940 1 . VAL 48 48 26940 1 . THR 49 49 26940 1 . GLY 50 50 26940 1 . PRO 51 51 26940 1 . ASP 52 52 26940 1 . GLY 53 53 26940 1 . LYS 54 54 26940 1 . GLY 55 55 26940 1 . MET 56 56 26940 1 . ASN 57 57 26940 1 . PRO 58 58 26940 1 . PRO 59 59 26940 1 . SER 60 60 26940 1 . TYR 61 61 26940 1 . TYR 62 62 26940 1 . THR 63 63 26940 1 . GLN 64 64 26940 1 . PRO 65 65 26940 1 . ALA 66 66 26940 1 . PRO 67 67 26940 1 . ILE 68 68 26940 1 . PRO 69 69 26940 1 . ASN 70 70 26940 1 . ASN 71 71 26940 1 . ASN 72 72 26940 1 . PRO 73 73 26940 1 . ILE 74 74 26940 1 . THR 75 75 26940 1 . VAL 76 76 26940 1 . GLN 77 77 26940 1 . THR 78 78 26940 1 . VAL 79 79 26940 1 . TYR 80 80 26940 1 . VAL 81 81 26940 1 . GLN 82 82 26940 1 . HIS 83 83 26940 1 . PRO 84 84 26940 1 . ILE 85 85 26940 1 . THR 86 86 26940 1 . PHE 87 87 26940 1 . LEU 88 88 26940 1 . ASP 89 89 26940 1 . ARG 90 90 26940 1 . PRO 91 91 26940 1 . ILE 92 92 26940 1 . GLN 93 93 26940 1 . MET 94 94 26940 1 . CYS 95 95 26940 1 . CYS 96 96 26940 1 . PRO 97 97 26940 1 . SER 98 98 26940 1 . CYS 99 99 26940 1 . ASN 100 100 26940 1 . LYS 101 101 26940 1 . MET 102 102 26940 1 . ILE 103 103 26940 1 . VAL 104 104 26940 1 . SER 105 105 26940 1 . GLN 106 106 26940 1 . LEU 107 107 26940 1 . SER 108 108 26940 1 . TYR 109 109 26940 1 . ASN 110 110 26940 1 . ALA 111 111 26940 1 . GLY 112 112 26940 1 . ALA 113 113 26940 1 . SER 114 114 26940 1 . GLY 115 115 26940 1 . SER 116 116 26940 1 . GLY 117 117 26940 1 . SER 118 118 26940 1 . GLY 119 119 26940 1 . SER 120 120 26940 1 . GLY 121 121 26940 1 . ALA 122 122 26940 1 . LEU 123 123 26940 1 . GLN 124 124 26940 1 . ASP 125 125 26940 1 . VAL 126 126 26940 1 . ASP 127 127 26940 1 . HIS 128 128 26940 1 . TYR 129 129 26940 1 . CYS 130 130 26940 1 . PRO 131 131 26940 1 . ASN 132 132 26940 1 . CYS 133 133 26940 1 . ARG 134 134 26940 1 . ALA 135 135 26940 1 . LEU 136 136 26940 1 . LEU 137 137 26940 1 . GLY 138 138 26940 1 . THR 139 139 26940 1 . TYR 140 140 26940 1 . LYS 141 141 26940 1 . ARG 142 142 26940 1 . LEU 143 143 26940 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 26940 _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 26940 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 26940 2 ZN 'Three letter code' 26940 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 26940 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26940 _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 $LITAF_delta114-139 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'This is a truncation of the wild type protein with residues 144-139 removed.' 26940 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 26940 _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 $LITAF_delta114-139 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) C43 . . . . pOPINS . . . 26940 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 26940 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 26940 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 26940 ZN [Zn++] SMILES CACTVS 3.341 26940 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 26940 ZN [Zn+2] SMILES ACDLabs 10.04 26940 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 26940 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26940 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 26940 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26940 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26940 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_15N _Sample.Entry_ID 26940 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LITAF delta114-139' '[U-99% 15N]' . . 1 $LITAF_delta114-139 . . 200 . . uM . . . . 26940 1 2 Zinc 'natural abundance' . . . . . . 200 . . uM . . . . 26940 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26940 1 4 D2O [U-2H] . . . . . . 5 . . % . . . . 26940 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26940 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 26940 1 stop_ save_ save_sample_13C15N _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N _Sample.Entry_ID 26940 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LITAF delta114-139' '[U-98% 13C; U-98% 15N]' . . 1 $LITAF_delta114-139 . . 200 . . uM . . . . 26940 2 2 Zinc 'natural abundance' . . . . . . 200 . . uM . . . . 26940 2 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26940 2 4 D2O [U-2H] . . . . . . 5 . . % . . . . 26940 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26940 2 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 26940 2 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 26940 _Sample_condition_list.ID 1 _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' 120.5 . mM 26940 1 pH 7.2 . pH 26940 1 pressure 1 . atm 26940 1 temperature 298 . K 26940 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26940 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26940 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26940 1 processing 26940 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26940 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26940 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26940 2 'peak picking' 26940 2 stop_ save_ save_qMDD _Software.Sf_category software _Software.Sf_framecode qMDD _Software.Entry_ID 26940 _Software.ID 3 _Software.Name qMDD _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Orekhov . . 26940 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26940 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 26940 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_700 _NMR_spectrometer.Entry_ID 26940 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII+ _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 26940 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_600 Bruker AvanceIII . 600 . . . 26940 1 2 spectrometer_700 Bruker AvanceII+ . 700 . . . 26940 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 26940 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 2 '2D 1H-15N B_trosy' no . . . . . . . . . . 1 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 26940 1 3 '2D 1H-15N B_trosy' no . . . . . . . . . . 1 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 5 '3D HCACO' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 11 CON no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 12 HCBCANCO no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 13 HCBCACON no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 14 HNCANNH no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 15 HNCOCANNH no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 16 HBHACONH no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_700 . . . . . . . . . . . . . . . . 26940 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26940 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 26940 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 26940 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 26940 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26940 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26940 1 4 '3D HNCO' . . . 26940 1 5 '3D HCACO' . . . 26940 1 6 '3D HNCA' . . . 26940 1 7 '3D HNCACB' . . . 26940 1 8 '3D HN(CO)CA' . . . 26940 1 9 '3D CBCA(CO)NH' . . . 26940 1 11 CON . . . 26940 1 12 HCBCANCO . . . 26940 1 13 HCBCACON . . . 26940 1 14 HNCANNH . . . 26940 1 15 HNCOCANNH . . . 26940 1 16 HBHACONH . . . 26940 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 26940 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.276 0.030 . 1 . . . . 1 MET HA . 26940 1 2 . 1 1 1 1 MET HB2 H 1 2.109 0.030 . 2 . . . . 1 MET HB2 . 26940 1 3 . 1 1 1 1 MET HB3 H 1 1.784 0.030 . 2 . . . . 1 MET HB3 . 26940 1 4 . 1 1 1 1 MET C C 13 177.200 0.300 . 1 . . . . 1 MET C . 26940 1 5 . 1 1 1 1 MET CB C 13 31.972 0.300 . 1 . . . . 1 MET CB . 26940 1 6 . 1 1 2 2 SER H H 1 8.269 0.030 . 1 . . . . 2 SER H . 26940 1 7 . 1 1 2 2 SER C C 13 173.791 0.300 . 1 . . . . 2 SER C . 26940 1 8 . 1 1 2 2 SER CA C 13 58.132 0.300 . 1 . . . . 2 SER CA . 26940 1 9 . 1 1 2 2 SER CB C 13 63.662 0.300 . 1 . . . . 2 SER CB . 26940 1 10 . 1 1 2 2 SER N N 15 115.859 0.300 . 1 . . . . 2 SER N . 26940 1 11 . 1 1 3 3 VAL H H 1 7.993 0.030 . 1 . . . . 3 VAL H . 26940 1 12 . 1 1 3 3 VAL C C 13 174.308 0.300 . 1 . . . . 3 VAL C . 26940 1 13 . 1 1 3 3 VAL CA C 13 59.614 0.300 . 1 . . . . 3 VAL CA . 26940 1 14 . 1 1 3 3 VAL CB C 13 32.409 0.300 . 1 . . . . 3 VAL CB . 26940 1 15 . 1 1 3 3 VAL N N 15 122.719 0.300 . 1 . . . . 3 VAL N . 26940 1 16 . 1 1 4 4 PRO HA H 1 4.255 0.030 . 1 . . . . 4 PRO HA . 26940 1 17 . 1 1 4 4 PRO HB2 H 1 2.102 0.030 . 2 . . . . 4 PRO HB2 . 26940 1 18 . 1 1 4 4 PRO HB3 H 1 1.767 0.030 . 2 . . . . 4 PRO HB3 . 26940 1 19 . 1 1 4 4 PRO C C 13 176.878 0.300 . 1 . . . . 4 PRO C . 26940 1 20 . 1 1 4 4 PRO CA C 13 63.135 0.300 . 1 . . . . 4 PRO CA . 26940 1 21 . 1 1 4 4 PRO CB C 13 32.136 0.300 . 1 . . . . 4 PRO CB . 26940 1 22 . 1 1 4 4 PRO N N 15 138.965 0.300 . 1 . . . . 4 PRO N . 26940 1 23 . 1 1 5 5 GLY H H 1 8.057 0.030 . 1 . . . . 5 GLY H . 26940 1 24 . 1 1 5 5 GLY C C 13 171.793 0.300 . 1 . . . . 5 GLY C . 26940 1 25 . 1 1 5 5 GLY CA C 13 44.403 0.300 . 1 . . . . 5 GLY CA . 26940 1 26 . 1 1 5 5 GLY N N 15 109.134 0.300 . 1 . . . . 5 GLY N . 26940 1 27 . 1 1 6 6 PRO HA H 1 4.177 0.030 . 1 . . . . 6 PRO HA . 26940 1 28 . 1 1 6 6 PRO C C 13 176.756 0.300 . 1 . . . . 6 PRO C . 26940 1 29 . 1 1 6 6 PRO CA C 13 63.171 0.300 . 1 . . . . 6 PRO CA . 26940 1 30 . 1 1 6 6 PRO CB C 13 31.928 0.300 . 1 . . . . 6 PRO CB . 26940 1 31 . 1 1 6 6 PRO N N 15 134.308 0.300 . 1 . . . . 6 PRO N . 26940 1 32 . 1 1 7 7 TYR H H 1 8.048 0.030 . 1 . . . . 7 TYR H . 26940 1 33 . 1 1 7 7 TYR HA H 1 4.334 0.030 . 1 . . . . 7 TYR HA . 26940 1 34 . 1 1 7 7 TYR HB3 H 1 2.817 0.030 . 2 . . . . 7 TYR HB3 . 26940 1 35 . 1 1 7 7 TYR C C 13 175.554 0.300 . 1 . . . . 7 TYR C . 26940 1 36 . 1 1 7 7 TYR CA C 13 57.786 0.300 . 1 . . . . 7 TYR CA . 26940 1 37 . 1 1 7 7 TYR CB C 13 38.223 0.300 . 1 . . . . 7 TYR CB . 26940 1 38 . 1 1 7 7 TYR N N 15 120.103 0.300 . 1 . . . . 7 TYR N . 26940 1 39 . 1 1 8 8 GLN H H 1 7.840 0.030 . 1 . . . . 8 GLN H . 26940 1 40 . 1 1 8 8 GLN HA H 1 4.062 0.030 . 1 . . . . 8 GLN HA . 26940 1 41 . 1 1 8 8 GLN HB2 H 1 1.806 0.030 . 2 . . . . 8 GLN HB2 . 26940 1 42 . 1 1 8 8 GLN HB3 H 1 1.707 0.030 . 2 . . . . 8 GLN HB3 . 26940 1 43 . 1 1 8 8 GLN C C 13 174.770 0.300 . 1 . . . . 8 GLN C . 26940 1 44 . 1 1 8 8 GLN CA C 13 55.155 0.300 . 1 . . . . 8 GLN CA . 26940 1 45 . 1 1 8 8 GLN CB C 13 29.581 0.300 . 1 . . . . 8 GLN CB . 26940 1 46 . 1 1 8 8 GLN N N 15 122.905 0.300 . 1 . . . . 8 GLN N . 26940 1 47 . 1 1 9 9 ALA H H 1 8.020 0.030 . 1 . . . . 9 ALA H . 26940 1 48 . 1 1 9 9 ALA HA H 1 4.033 0.030 . 1 . . . . 9 ALA HA . 26940 1 49 . 1 1 9 9 ALA HB1 H 1 1.196 0.030 . 1 . . . . 9 ALA HB . 26940 1 50 . 1 1 9 9 ALA HB2 H 1 1.196 0.030 . 1 . . . . 9 ALA HB . 26940 1 51 . 1 1 9 9 ALA HB3 H 1 1.196 0.030 . 1 . . . . 9 ALA HB . 26940 1 52 . 1 1 9 9 ALA C C 13 177.349 0.300 . 1 . . . . 9 ALA C . 26940 1 53 . 1 1 9 9 ALA CA C 13 52.220 0.300 . 1 . . . . 9 ALA CA . 26940 1 54 . 1 1 9 9 ALA CB C 13 19.035 0.300 . 1 . . . . 9 ALA CB . 26940 1 55 . 1 1 9 9 ALA N N 15 125.631 0.300 . 1 . . . . 9 ALA N . 26940 1 56 . 1 1 10 10 ALA H H 1 8.130 0.030 . 1 . . . . 10 ALA H . 26940 1 57 . 1 1 10 10 ALA HA H 1 4.177 0.030 . 1 . . . . 10 ALA HA . 26940 1 58 . 1 1 10 10 ALA HB1 H 1 1.219 0.030 . 1 . . . . 10 ALA HB . 26940 1 59 . 1 1 10 10 ALA HB2 H 1 1.219 0.030 . 1 . . . . 10 ALA HB . 26940 1 60 . 1 1 10 10 ALA HB3 H 1 1.219 0.030 . 1 . . . . 10 ALA HB . 26940 1 61 . 1 1 10 10 ALA C C 13 177.810 0.300 . 1 . . . . 10 ALA C . 26940 1 62 . 1 1 10 10 ALA CA C 13 52.352 0.300 . 1 . . . . 10 ALA CA . 26940 1 63 . 1 1 10 10 ALA CB C 13 19.022 0.300 . 1 . . . . 10 ALA CB . 26940 1 64 . 1 1 10 10 ALA N N 15 123.376 0.300 . 1 . . . . 10 ALA N . 26940 1 65 . 1 1 11 11 THR H H 1 7.872 0.030 . 1 . . . . 11 THR H . 26940 1 66 . 1 1 11 11 THR HA H 1 4.227 0.030 . 1 . . . . 11 THR HA . 26940 1 67 . 1 1 11 11 THR HB H 1 3.984 0.030 . 1 . . . . 11 THR HB . 26940 1 68 . 1 1 11 11 THR C C 13 174.601 0.300 . 1 . . . . 11 THR C . 26940 1 69 . 1 1 11 11 THR CA C 13 61.395 0.300 . 1 . . . . 11 THR CA . 26940 1 70 . 1 1 11 11 THR CB C 13 69.884 0.300 . 1 . . . . 11 THR CB . 26940 1 71 . 1 1 11 11 THR N N 15 112.263 0.300 . 1 . . . . 11 THR N . 26940 1 72 . 1 1 12 12 GLY H H 1 8.077 0.030 . 1 . . . . 12 GLY H . 26940 1 73 . 1 1 12 12 GLY C C 13 172.339 0.300 . 1 . . . . 12 GLY C . 26940 1 74 . 1 1 12 12 GLY CA C 13 44.612 0.300 . 1 . . . . 12 GLY CA . 26940 1 75 . 1 1 12 12 GLY N N 15 110.934 0.300 . 1 . . . . 12 GLY N . 26940 1 76 . 1 1 13 13 PRO CA C 13 63.806 0.300 . 1 . . . . 13 PRO CA . 26940 1 77 . 1 1 13 13 PRO CB C 13 31.926 0.300 . 1 . . . . 13 PRO CB . 26940 1 78 . 1 1 13 13 PRO N N 15 134.274 0.300 . 1 . . . . 13 PRO N . 26940 1 79 . 1 1 15 15 SER C C 13 172.771 0.300 . 1 . . . . 15 SER C . 26940 1 80 . 1 1 15 15 SER CA C 13 58.139 0.300 . 1 . . . . 15 SER CA . 26940 1 81 . 1 1 15 15 SER CB C 13 63.868 0.300 . 1 . . . . 15 SER CB . 26940 1 82 . 1 1 16 16 ALA H H 1 7.906 0.030 . 1 . . . . 16 ALA H . 26940 1 83 . 1 1 16 16 ALA C C 13 174.900 0.300 . 1 . . . . 16 ALA C . 26940 1 84 . 1 1 16 16 ALA CA C 13 49.739 0.300 . 1 . . . . 16 ALA CA . 26940 1 85 . 1 1 16 16 ALA CB C 13 19.767 0.300 . 1 . . . . 16 ALA CB . 26940 1 86 . 1 1 16 16 ALA N N 15 125.372 0.300 . 1 . . . . 16 ALA N . 26940 1 87 . 1 1 17 17 PRO HA H 1 4.266 0.030 . 1 . . . . 17 PRO HA . 26940 1 88 . 1 1 17 17 PRO HB2 H 1 2.118 0.030 . 2 . . . . 17 PRO HB2 . 26940 1 89 . 1 1 17 17 PRO HB3 H 1 1.750 0.030 . 2 . . . . 17 PRO HB3 . 26940 1 90 . 1 1 17 17 PRO C C 13 176.884 0.300 . 1 . . . . 17 PRO C . 26940 1 91 . 1 1 17 17 PRO CA C 13 62.942 0.300 . 1 . . . . 17 PRO CA . 26940 1 92 . 1 1 17 17 PRO CB C 13 31.811 0.300 . 1 . . . . 17 PRO CB . 26940 1 93 . 1 1 17 17 PRO N N 15 135.135 0.300 . 1 . . . . 17 PRO N . 26940 1 94 . 1 1 18 18 SER H H 1 8.164 0.030 . 1 . . . . 18 SER H . 26940 1 95 . 1 1 18 18 SER HA H 1 4.206 0.030 . 1 . . . . 18 SER HA . 26940 1 96 . 1 1 18 18 SER HB3 H 1 3.659 0.030 . 2 . . . . 18 SER HB3 . 26940 1 97 . 1 1 18 18 SER C C 13 173.594 0.300 . 1 . . . . 18 SER C . 26940 1 98 . 1 1 18 18 SER CA C 13 57.986 0.300 . 1 . . . . 18 SER CA . 26940 1 99 . 1 1 18 18 SER CB C 13 63.817 0.300 . 1 . . . . 18 SER CB . 26940 1 100 . 1 1 18 18 SER N N 15 116.040 0.300 . 1 . . . . 18 SER N . 26940 1 101 . 1 1 19 19 ALA H H 1 8.039 0.030 . 1 . . . . 19 ALA H . 26940 1 102 . 1 1 19 19 ALA C C 13 175.333 0.300 . 1 . . . . 19 ALA C . 26940 1 103 . 1 1 19 19 ALA CA C 13 50.260 0.300 . 1 . . . . 19 ALA CA . 26940 1 104 . 1 1 19 19 ALA CB C 13 18.084 0.300 . 1 . . . . 19 ALA CB . 26940 1 105 . 1 1 19 19 ALA N N 15 126.778 0.300 . 1 . . . . 19 ALA N . 26940 1 106 . 1 1 20 20 PRO CA C 13 62.760 0.300 . 1 . . . . 20 PRO CA . 26940 1 107 . 1 1 20 20 PRO CB C 13 32.138 0.300 . 1 . . . . 20 PRO CB . 26940 1 108 . 1 1 20 20 PRO N N 15 134.965 0.300 . 1 . . . . 20 PRO N . 26940 1 109 . 1 1 21 21 PRO HA H 1 4.209 0.030 . 1 . . . . 21 PRO HA . 26940 1 110 . 1 1 21 21 PRO HB2 H 1 2.025 0.030 . 2 . . . . 21 PRO HB2 . 26940 1 111 . 1 1 21 21 PRO HB3 H 1 1.559 0.030 . 2 . . . . 21 PRO HB3 . 26940 1 112 . 1 1 21 21 PRO CA C 13 62.777 0.300 . 1 . . . . 21 PRO CA . 26940 1 113 . 1 1 21 21 PRO CB C 13 31.854 0.300 . 1 . . . . 21 PRO CB . 26940 1 114 . 1 1 22 22 SER H H 1 8.118 0.030 . 1 . . . . 22 SER H . 26940 1 115 . 1 1 22 22 SER HA H 1 3.972 0.030 . 1 . . . . 22 SER HA . 26940 1 116 . 1 1 22 22 SER C C 13 174.253 0.300 . 1 . . . . 22 SER C . 26940 1 117 . 1 1 22 22 SER CA C 13 57.790 0.300 . 1 . . . . 22 SER CA . 26940 1 118 . 1 1 22 22 SER CB C 13 63.840 0.300 . 1 . . . . 22 SER CB . 26940 1 119 . 1 1 22 22 SER N N 15 115.803 0.300 . 1 . . . . 22 SER N . 26940 1 120 . 1 1 23 23 TYR H H 1 8.079 0.030 . 1 . . . . 23 TYR H . 26940 1 121 . 1 1 23 23 TYR HA H 1 4.345 0.030 . 1 . . . . 23 TYR HA . 26940 1 122 . 1 1 23 23 TYR HB3 H 1 2.819 0.030 . 2 . . . . 23 TYR HB3 . 26940 1 123 . 1 1 23 23 TYR C C 13 175.707 0.300 . 1 . . . . 23 TYR C . 26940 1 124 . 1 1 23 23 TYR CA C 13 58.158 0.300 . 1 . . . . 23 TYR CA . 26940 1 125 . 1 1 23 23 TYR CB C 13 38.516 0.300 . 1 . . . . 23 TYR CB . 26940 1 126 . 1 1 23 23 TYR N N 15 122.275 0.300 . 1 . . . . 23 TYR N . 26940 1 127 . 1 1 24 24 GLU H H 1 8.131 0.030 . 1 . . . . 24 GLU H . 26940 1 128 . 1 1 24 24 GLU C C 13 176.177 0.300 . 1 . . . . 24 GLU C . 26940 1 129 . 1 1 24 24 GLU CA C 13 56.634 0.300 . 1 . . . . 24 GLU CA . 26940 1 130 . 1 1 24 24 GLU CB C 13 30.137 0.300 . 1 . . . . 24 GLU CB . 26940 1 131 . 1 1 24 24 GLU N N 15 121.926 0.300 . 1 . . . . 24 GLU N . 26940 1 132 . 1 1 25 25 GLU H H 1 8.114 0.030 . 1 . . . . 25 GLU H . 26940 1 133 . 1 1 25 25 GLU HA H 1 4.080 0.030 . 1 . . . . 25 GLU HA . 26940 1 134 . 1 1 25 25 GLU HB2 H 1 1.852 0.030 . 2 . . . . 25 GLU HB2 . 26940 1 135 . 1 1 25 25 GLU HB3 H 1 1.785 0.030 . 2 . . . . 25 GLU HB3 . 26940 1 136 . 1 1 25 25 GLU C C 13 176.629 0.300 . 1 . . . . 25 GLU C . 26940 1 137 . 1 1 25 25 GLU CA C 13 56.666 0.300 . 1 . . . . 25 GLU CA . 26940 1 138 . 1 1 25 25 GLU CB C 13 30.129 0.300 . 1 . . . . 25 GLU CB . 26940 1 139 . 1 1 25 25 GLU N N 15 121.659 0.300 . 1 . . . . 25 GLU N . 26940 1 140 . 1 1 26 26 THR H H 1 7.988 0.030 . 1 . . . . 26 THR H . 26940 1 141 . 1 1 26 26 THR HA H 1 4.108 0.030 . 1 . . . . 26 THR HA . 26940 1 142 . 1 1 26 26 THR HB H 1 3.981 0.030 . 1 . . . . 26 THR HB . 26940 1 143 . 1 1 26 26 THR C C 13 174.440 0.300 . 1 . . . . 26 THR C . 26940 1 144 . 1 1 26 26 THR CA C 13 62.258 0.300 . 1 . . . . 26 THR CA . 26940 1 145 . 1 1 26 26 THR CB C 13 69.650 0.300 . 1 . . . . 26 THR CB . 26940 1 146 . 1 1 26 26 THR N N 15 115.612 0.300 . 1 . . . . 26 THR N . 26940 1 147 . 1 1 27 27 VAL H H 1 7.863 0.030 . 1 . . . . 27 VAL H . 26940 1 148 . 1 1 27 27 VAL HA H 1 3.886 0.030 . 1 . . . . 27 VAL HA . 26940 1 149 . 1 1 27 27 VAL HB H 1 1.839 0.030 . 1 . . . . 27 VAL HB . 26940 1 150 . 1 1 27 27 VAL C C 13 175.694 0.300 . 1 . . . . 27 VAL C . 26940 1 151 . 1 1 27 27 VAL CA C 13 62.193 0.300 . 1 . . . . 27 VAL CA . 26940 1 152 . 1 1 27 27 VAL CB C 13 32.458 0.300 . 1 . . . . 27 VAL CB . 26940 1 153 . 1 1 27 27 VAL N N 15 122.467 0.300 . 1 . . . . 27 VAL N . 26940 1 154 . 1 1 28 28 ALA H H 1 8.078 0.030 . 1 . . . . 28 ALA H . 26940 1 155 . 1 1 28 28 ALA HA H 1 4.141 0.030 . 1 . . . . 28 ALA HA . 26940 1 156 . 1 1 28 28 ALA HB1 H 1 1.171 0.030 . 1 . . . . 28 ALA HB . 26940 1 157 . 1 1 28 28 ALA HB2 H 1 1.171 0.030 . 1 . . . . 28 ALA HB . 26940 1 158 . 1 1 28 28 ALA HB3 H 1 1.171 0.030 . 1 . . . . 28 ALA HB . 26940 1 159 . 1 1 28 28 ALA C C 13 177.647 0.300 . 1 . . . . 28 ALA C . 26940 1 160 . 1 1 28 28 ALA CA C 13 52.258 0.300 . 1 . . . . 28 ALA CA . 26940 1 161 . 1 1 28 28 ALA CB C 13 18.978 0.300 . 1 . . . . 28 ALA CB . 26940 1 162 . 1 1 28 28 ALA N N 15 127.610 0.300 . 1 . . . . 28 ALA N . 26940 1 163 . 1 1 29 29 VAL H H 1 7.888 0.030 . 1 . . . . 29 VAL H . 26940 1 164 . 1 1 29 29 VAL C C 13 175.912 0.300 . 1 . . . . 29 VAL C . 26940 1 165 . 1 1 29 29 VAL CA C 13 62.398 0.300 . 1 . . . . 29 VAL CA . 26940 1 166 . 1 1 29 29 VAL CB C 13 32.441 0.300 . 1 . . . . 29 VAL CB . 26940 1 167 . 1 1 29 29 VAL N N 15 119.204 0.300 . 1 . . . . 29 VAL N . 26940 1 168 . 1 1 30 30 ASN H H 1 8.218 0.030 . 1 . . . . 30 ASN H . 26940 1 169 . 1 1 30 30 ASN HA H 1 4.521 0.030 . 1 . . . . 30 ASN HA . 26940 1 170 . 1 1 30 30 ASN HB3 H 1 2.555 0.030 . 2 . . . . 30 ASN HB3 . 26940 1 171 . 1 1 30 30 ASN C C 13 174.276 0.300 . 1 . . . . 30 ASN C . 26940 1 172 . 1 1 30 30 ASN CA C 13 53.023 0.300 . 1 . . . . 30 ASN CA . 26940 1 173 . 1 1 30 30 ASN CB C 13 38.779 0.300 . 1 . . . . 30 ASN CB . 26940 1 174 . 1 1 30 30 ASN N N 15 121.723 0.300 . 1 . . . . 30 ASN N . 26940 1 175 . 1 1 31 31 SER H H 1 7.937 0.030 . 1 . . . . 31 SER H . 26940 1 176 . 1 1 31 31 SER HA H 1 3.760 0.030 . 1 . . . . 31 SER HA . 26940 1 177 . 1 1 31 31 SER C C 13 173.528 0.300 . 1 . . . . 31 SER C . 26940 1 178 . 1 1 31 31 SER CA C 13 58.358 0.300 . 1 . . . . 31 SER CA . 26940 1 179 . 1 1 31 31 SER CB C 13 63.696 0.300 . 1 . . . . 31 SER CB . 26940 1 180 . 1 1 31 31 SER N N 15 115.815 0.300 . 1 . . . . 31 SER N . 26940 1 181 . 1 1 32 32 TYR H H 1 7.854 0.030 . 1 . . . . 32 TYR H . 26940 1 182 . 1 1 32 32 TYR HA H 1 4.301 0.030 . 1 . . . . 32 TYR HA . 26940 1 183 . 1 1 32 32 TYR C C 13 174.552 0.300 . 1 . . . . 32 TYR C . 26940 1 184 . 1 1 32 32 TYR CA C 13 57.736 0.300 . 1 . . . . 32 TYR CA . 26940 1 185 . 1 1 32 32 TYR CB C 13 38.675 0.300 . 1 . . . . 32 TYR CB . 26940 1 186 . 1 1 32 32 TYR N N 15 121.785 0.300 . 1 . . . . 32 TYR N . 26940 1 187 . 1 1 33 33 TYR H H 1 7.755 0.030 . 1 . . . . 33 TYR H . 26940 1 188 . 1 1 33 33 TYR C C 13 173.171 0.300 . 1 . . . . 33 TYR C . 26940 1 189 . 1 1 33 33 TYR CA C 13 55.231 0.300 . 1 . . . . 33 TYR CA . 26940 1 190 . 1 1 33 33 TYR CB C 13 38.847 0.300 . 1 . . . . 33 TYR CB . 26940 1 191 . 1 1 33 33 TYR N N 15 123.433 0.300 . 1 . . . . 33 TYR N . 26940 1 192 . 1 1 34 34 PRO HA H 1 4.208 0.030 . 1 . . . . 34 PRO HA . 26940 1 193 . 1 1 34 34 PRO HB2 H 1 2.050 0.030 . 2 . . . . 34 PRO HB2 . 26940 1 194 . 1 1 34 34 PRO HB3 H 1 1.707 0.030 . 2 . . . . 34 PRO HB3 . 26940 1 195 . 1 1 34 34 PRO C C 13 176.449 0.300 . 1 . . . . 34 PRO C . 26940 1 196 . 1 1 34 34 PRO CA C 13 62.843 0.300 . 1 . . . . 34 PRO CA . 26940 1 197 . 1 1 34 34 PRO CB C 13 31.819 0.300 . 1 . . . . 34 PRO CB . 26940 1 198 . 1 1 34 34 PRO N N 15 136.512 0.300 . 1 . . . . 34 PRO N . 26940 1 199 . 1 1 35 35 THR H H 1 7.970 0.030 . 1 . . . . 35 THR H . 26940 1 200 . 1 1 35 35 THR C C 13 172.381 0.300 . 1 . . . . 35 THR C . 26940 1 201 . 1 1 35 35 THR CA C 13 59.567 0.300 . 1 . . . . 35 THR CA . 26940 1 202 . 1 1 35 35 THR CB C 13 69.765 0.300 . 1 . . . . 35 THR CB . 26940 1 203 . 1 1 35 35 THR N N 15 117.475 0.300 . 1 . . . . 35 THR N . 26940 1 204 . 1 1 36 36 PRO C C 13 174.543 0.300 . 1 . . . . 36 PRO C . 26940 1 205 . 1 1 36 36 PRO CA C 13 61.584 0.300 . 1 . . . . 36 PRO CA . 26940 1 206 . 1 1 36 36 PRO CB C 13 30.932 0.300 . 1 . . . . 36 PRO CB . 26940 1 207 . 1 1 36 36 PRO N N 15 140.549 0.300 . 1 . . . . 36 PRO N . 26940 1 208 . 1 1 37 37 PRO HA H 1 4.209 0.030 . 1 . . . . 37 PRO HA . 26940 1 209 . 1 1 37 37 PRO HB2 H 1 2.050 0.030 . 2 . . . . 37 PRO HB2 . 26940 1 210 . 1 1 37 37 PRO HB3 H 1 1.696 0.030 . 2 . . . . 37 PRO HB3 . 26940 1 211 . 1 1 37 37 PRO C C 13 176.044 0.300 . 1 . . . . 37 PRO C . 26940 1 212 . 1 1 37 37 PRO CA C 13 62.739 0.300 . 1 . . . . 37 PRO CA . 26940 1 213 . 1 1 37 37 PRO CB C 13 31.935 0.300 . 1 . . . . 37 PRO CB . 26940 1 214 . 1 1 37 37 PRO N N 15 135.301 0.300 . 1 . . . . 37 PRO N . 26940 1 215 . 1 1 38 38 ALA H H 1 8.092 0.030 . 1 . . . . 38 ALA H . 26940 1 216 . 1 1 38 38 ALA C C 13 175.424 0.300 . 1 . . . . 38 ALA C . 26940 1 217 . 1 1 38 38 ALA CA C 13 50.220 0.300 . 1 . . . . 38 ALA CA . 26940 1 218 . 1 1 38 38 ALA CB C 13 18.042 0.300 . 1 . . . . 38 ALA CB . 26940 1 219 . 1 1 38 38 ALA N N 15 125.353 0.300 . 1 . . . . 38 ALA N . 26940 1 220 . 1 1 39 39 PRO C C 13 176.428 0.300 . 1 . . . . 39 PRO C . 26940 1 221 . 1 1 39 39 PRO CA C 13 62.746 0.300 . 1 . . . . 39 PRO CA . 26940 1 222 . 1 1 39 39 PRO CB C 13 31.930 0.300 . 1 . . . . 39 PRO CB . 26940 1 223 . 1 1 39 39 PRO N N 15 134.965 0.300 . 1 . . . . 39 PRO N . 26940 1 224 . 1 1 40 40 MET H H 1 8.038 0.030 . 1 . . . . 40 MET H . 26940 1 225 . 1 1 40 40 MET C C 13 174.772 0.300 . 1 . . . . 40 MET C . 26940 1 226 . 1 1 40 40 MET CA C 13 58.525 0.300 . 1 . . . . 40 MET CA . 26940 1 227 . 1 1 40 40 MET CB C 13 38.492 0.300 . 1 . . . . 40 MET CB . 26940 1 228 . 1 1 40 40 MET N N 15 122.486 0.300 . 1 . . . . 40 MET N . 26940 1 229 . 1 1 41 41 PRO HA H 1 4.248 0.030 . 1 . . . . 41 PRO HA . 26940 1 230 . 1 1 41 41 PRO HB2 H 1 2.106 0.030 . 2 . . . . 41 PRO HB2 . 26940 1 231 . 1 1 41 41 PRO HB3 H 1 1.757 0.030 . 2 . . . . 41 PRO HB3 . 26940 1 232 . 1 1 41 41 PRO C C 13 176.950 0.300 . 1 . . . . 41 PRO C . 26940 1 233 . 1 1 41 41 PRO CA C 13 63.270 0.300 . 1 . . . . 41 PRO CA . 26940 1 234 . 1 1 41 41 PRO CB C 13 32.089 0.300 . 1 . . . . 41 PRO CB . 26940 1 235 . 1 1 41 41 PRO N N 15 139.673 0.300 . 1 . . . . 41 PRO N . 26940 1 236 . 1 1 42 42 GLY H H 1 8.017 0.030 . 1 . . . . 42 GLY H . 26940 1 237 . 1 1 42 42 GLY C C 13 171.848 0.300 . 1 . . . . 42 GLY C . 26940 1 238 . 1 1 42 42 GLY CA C 13 44.538 0.300 . 1 . . . . 42 GLY CA . 26940 1 239 . 1 1 42 42 GLY N N 15 108.943 0.300 . 1 . . . . 42 GLY N . 26940 1 240 . 1 1 43 43 PRO HA H 1 4.319 0.030 . 1 . . . . 43 PRO HA . 26940 1 241 . 1 1 43 43 PRO HB2 H 1 2.112 0.030 . 2 . . . . 43 PRO HB2 . 26940 1 242 . 1 1 43 43 PRO HB3 H 1 1.780 0.030 . 2 . . . . 43 PRO HB3 . 26940 1 243 . 1 1 43 43 PRO C C 13 177.488 0.300 . 1 . . . . 43 PRO C . 26940 1 244 . 1 1 43 43 PRO CA C 13 63.255 0.300 . 1 . . . . 43 PRO CA . 26940 1 245 . 1 1 43 43 PRO CB C 13 32.091 0.300 . 1 . . . . 43 PRO CB . 26940 1 246 . 1 1 43 43 PRO N N 15 134.055 0.300 . 1 . . . . 43 PRO N . 26940 1 247 . 1 1 44 44 THR H H 1 8.165 0.030 . 1 . . . . 44 THR H . 26940 1 248 . 1 1 44 44 THR HA H 1 4.236 0.030 . 1 . . . . 44 THR HA . 26940 1 249 . 1 1 44 44 THR HB H 1 4.113 0.030 . 1 . . . . 44 THR HB . 26940 1 250 . 1 1 44 44 THR C C 13 174.772 0.300 . 1 . . . . 44 THR C . 26940 1 251 . 1 1 44 44 THR CA C 13 61.764 0.300 . 1 . . . . 44 THR CA . 26940 1 252 . 1 1 44 44 THR CB C 13 69.596 0.300 . 1 . . . . 44 THR CB . 26940 1 253 . 1 1 44 44 THR N N 15 113.554 0.300 . 1 . . . . 44 THR N . 26940 1 254 . 1 1 45 45 THR H H 1 7.851 0.030 . 1 . . . . 45 THR H . 26940 1 255 . 1 1 45 45 THR HA H 1 4.165 0.030 . 1 . . . . 45 THR HA . 26940 1 256 . 1 1 45 45 THR HB H 1 4.060 0.030 . 1 . . . . 45 THR HB . 26940 1 257 . 1 1 45 45 THR C C 13 174.768 0.300 . 1 . . . . 45 THR C . 26940 1 258 . 1 1 45 45 THR CA C 13 61.865 0.300 . 1 . . . . 45 THR CA . 26940 1 259 . 1 1 45 45 THR CB C 13 69.749 0.300 . 1 . . . . 45 THR CB . 26940 1 260 . 1 1 45 45 THR N N 15 115.649 0.300 . 1 . . . . 45 THR N . 26940 1 261 . 1 1 46 46 GLY H H 1 8.192 0.030 . 1 . . . . 46 GLY H . 26940 1 262 . 1 1 46 46 GLY HA3 H 1 3.761 0.030 . 2 . . . . 46 GLY HA3 . 26940 1 263 . 1 1 46 46 GLY C C 13 173.591 0.300 . 1 . . . . 46 GLY C . 26940 1 264 . 1 1 46 46 GLY CA C 13 45.082 0.300 . 1 . . . . 46 GLY CA . 26940 1 265 . 1 1 46 46 GLY N N 15 110.887 0.300 . 1 . . . . 46 GLY N . 26940 1 266 . 1 1 47 47 LEU H H 1 7.843 0.030 . 1 . . . . 47 LEU H . 26940 1 267 . 1 1 47 47 LEU HA H 1 4.004 0.030 . 1 . . . . 47 LEU HA . 26940 1 268 . 1 1 47 47 LEU HB3 H 1 1.381 0.030 . 2 . . . . 47 LEU HB3 . 26940 1 269 . 1 1 47 47 LEU C C 13 177.180 0.300 . 1 . . . . 47 LEU C . 26940 1 270 . 1 1 47 47 LEU CA C 13 54.908 0.300 . 1 . . . . 47 LEU CA . 26940 1 271 . 1 1 47 47 LEU CB C 13 42.373 0.300 . 1 . . . . 47 LEU CB . 26940 1 272 . 1 1 47 47 LEU N N 15 121.558 0.300 . 1 . . . . 47 LEU N . 26940 1 273 . 1 1 48 48 VAL H H 1 8.090 0.030 . 1 . . . . 48 VAL H . 26940 1 274 . 1 1 48 48 VAL HA H 1 4.036 0.030 . 1 . . . . 48 VAL HA . 26940 1 275 . 1 1 48 48 VAL HB H 1 1.888 0.030 . 1 . . . . 48 VAL HB . 26940 1 276 . 1 1 48 48 VAL C C 13 176.054 0.300 . 1 . . . . 48 VAL C . 26940 1 277 . 1 1 48 48 VAL CA C 13 61.992 0.300 . 1 . . . . 48 VAL CA . 26940 1 278 . 1 1 48 48 VAL CB C 13 32.644 0.300 . 1 . . . . 48 VAL CB . 26940 1 279 . 1 1 48 48 VAL N N 15 121.650 0.300 . 1 . . . . 48 VAL N . 26940 1 280 . 1 1 49 49 THR H H 1 8.033 0.030 . 1 . . . . 49 THR H . 26940 1 281 . 1 1 49 49 THR C C 13 174.371 0.300 . 1 . . . . 49 THR C . 26940 1 282 . 1 1 49 49 THR CA C 13 61.409 0.300 . 1 . . . . 49 THR CA . 26940 1 283 . 1 1 49 49 THR CB C 13 69.922 0.300 . 1 . . . . 49 THR CB . 26940 1 284 . 1 1 49 49 THR N N 15 117.622 0.300 . 1 . . . . 49 THR N . 26940 1 285 . 1 1 50 50 GLY H H 1 7.971 0.030 . 1 . . . . 50 GLY H . 26940 1 286 . 1 1 50 50 GLY C C 13 171.918 0.300 . 1 . . . . 50 GLY C . 26940 1 287 . 1 1 50 50 GLY CA C 13 44.546 0.300 . 1 . . . . 50 GLY CA . 26940 1 288 . 1 1 50 50 GLY N N 15 110.747 0.300 . 1 . . . . 50 GLY N . 26940 1 289 . 1 1 51 51 PRO HA H 1 4.221 0.030 . 1 . . . . 51 PRO HA . 26940 1 290 . 1 1 51 51 PRO HB2 H 1 2.086 0.030 . 2 . . . . 51 PRO HB2 . 26940 1 291 . 1 1 51 51 PRO HB3 H 1 1.781 0.030 . 2 . . . . 51 PRO HB3 . 26940 1 292 . 1 1 51 51 PRO CA C 13 63.205 0.300 . 1 . . . . 51 PRO CA . 26940 1 293 . 1 1 51 51 PRO CB C 13 31.961 0.300 . 1 . . . . 51 PRO CB . 26940 1 294 . 1 1 51 51 PRO N N 15 133.764 0.300 . 1 . . . . 51 PRO N . 26940 1 295 . 1 1 52 52 ASP H H 1 8.131 0.030 . 1 . . . . 52 ASP H . 26940 1 296 . 1 1 52 52 ASP HA H 1 4.381 0.030 . 1 . . . . 52 ASP HA . 26940 1 297 . 1 1 52 52 ASP HB3 H 1 2.523 0.030 . 2 . . . . 52 ASP HB3 . 26940 1 298 . 1 1 52 52 ASP C C 13 176.869 0.300 . 1 . . . . 52 ASP C . 26940 1 299 . 1 1 52 52 ASP CA C 13 53.870 0.300 . 1 . . . . 52 ASP CA . 26940 1 300 . 1 1 52 52 ASP CB C 13 40.754 0.300 . 1 . . . . 52 ASP CB . 26940 1 301 . 1 1 52 52 ASP N N 15 118.663 0.300 . 1 . . . . 52 ASP N . 26940 1 302 . 1 1 53 53 GLY H H 1 8.028 0.030 . 1 . . . . 53 GLY H . 26940 1 303 . 1 1 53 53 GLY HA2 H 1 3.698 0.030 . 2 . . . . 53 GLY HA2 . 26940 1 304 . 1 1 53 53 GLY HA3 H 1 3.782 0.030 . 2 . . . . 53 GLY HA3 . 26940 1 305 . 1 1 53 53 GLY C C 13 174.401 0.300 . 1 . . . . 53 GLY C . 26940 1 306 . 1 1 53 53 GLY CA C 13 45.535 0.300 . 1 . . . . 53 GLY CA . 26940 1 307 . 1 1 53 53 GLY N N 15 108.610 0.300 . 1 . . . . 53 GLY N . 26940 1 308 . 1 1 54 54 LYS H H 1 7.869 0.030 . 1 . . . . 54 LYS H . 26940 1 309 . 1 1 54 54 LYS HA H 1 4.149 0.030 . 1 . . . . 54 LYS HA . 26940 1 310 . 1 1 54 54 LYS HB2 H 1 1.677 0.030 . 2 . . . . 54 LYS HB2 . 26940 1 311 . 1 1 54 54 LYS HB3 H 1 1.612 0.030 . 2 . . . . 54 LYS HB3 . 26940 1 312 . 1 1 54 54 LYS C C 13 177.029 0.300 . 1 . . . . 54 LYS C . 26940 1 313 . 1 1 54 54 LYS CA C 13 56.136 0.300 . 1 . . . . 54 LYS CA . 26940 1 314 . 1 1 54 54 LYS CB C 13 32.657 0.300 . 1 . . . . 54 LYS CB . 26940 1 315 . 1 1 54 54 LYS N N 15 120.293 0.300 . 1 . . . . 54 LYS N . 26940 1 316 . 1 1 55 55 GLY H H 1 8.266 0.030 . 1 . . . . 55 GLY H . 26940 1 317 . 1 1 55 55 GLY HA2 H 1 3.700 0.030 . 2 . . . . 55 GLY HA2 . 26940 1 318 . 1 1 55 55 GLY HA3 H 1 3.780 0.030 . 2 . . . . 55 GLY HA3 . 26940 1 319 . 1 1 55 55 GLY C C 13 173.831 0.300 . 1 . . . . 55 GLY C . 26940 1 320 . 1 1 55 55 GLY CA C 13 45.207 0.300 . 1 . . . . 55 GLY CA . 26940 1 321 . 1 1 55 55 GLY N N 15 109.502 0.300 . 1 . . . . 55 GLY N . 26940 1 322 . 1 1 56 56 MET H H 1 8.049 0.030 . 1 . . . . 56 MET H . 26940 1 323 . 1 1 56 56 MET HA H 1 4.309 0.030 . 1 . . . . 56 MET HA . 26940 1 324 . 1 1 56 56 MET HB2 H 1 1.863 0.030 . 2 . . . . 56 MET HB2 . 26940 1 325 . 1 1 56 56 MET HB3 H 1 1.764 0.030 . 2 . . . . 56 MET HB3 . 26940 1 326 . 1 1 56 56 MET C C 13 175.596 0.300 . 1 . . . . 56 MET C . 26940 1 327 . 1 1 56 56 MET CA C 13 55.005 0.300 . 1 . . . . 56 MET CA . 26940 1 328 . 1 1 56 56 MET CB C 13 33.050 0.300 . 1 . . . . 56 MET CB . 26940 1 329 . 1 1 56 56 MET N N 15 119.593 0.300 . 1 . . . . 56 MET N . 26940 1 330 . 1 1 57 57 ASN H H 1 8.280 0.030 . 1 . . . . 57 ASN H . 26940 1 331 . 1 1 57 57 ASN C C 13 172.344 0.300 . 1 . . . . 57 ASN C . 26940 1 332 . 1 1 57 57 ASN CA C 13 51.251 0.300 . 1 . . . . 57 ASN CA . 26940 1 333 . 1 1 57 57 ASN CB C 13 38.527 0.300 . 1 . . . . 57 ASN CB . 26940 1 334 . 1 1 57 57 ASN N N 15 120.580 0.300 . 1 . . . . 57 ASN N . 26940 1 335 . 1 1 58 58 PRO C C 13 174.537 0.300 . 1 . . . . 58 PRO C . 26940 1 336 . 1 1 58 58 PRO CA C 13 61.578 0.300 . 1 . . . . 58 PRO CA . 26940 1 337 . 1 1 58 58 PRO CB C 13 30.843 0.300 . 1 . . . . 58 PRO CB . 26940 1 338 . 1 1 58 58 PRO N N 15 137.135 0.300 . 1 . . . . 58 PRO N . 26940 1 339 . 1 1 59 59 PRO CA C 13 63.362 0.300 . 1 . . . . 59 PRO CA . 26940 1 340 . 1 1 59 59 PRO CB C 13 32.056 0.300 . 1 . . . . 59 PRO CB . 26940 1 341 . 1 1 59 59 PRO N N 15 134.798 0.300 . 1 . . . . 59 PRO N . 26940 1 342 . 1 1 60 60 SER C C 13 174.182 0.300 . 1 . . . . 60 SER C . 26940 1 343 . 1 1 60 60 SER CA C 13 58.543 0.300 . 1 . . . . 60 SER CA . 26940 1 344 . 1 1 60 60 SER CB C 13 63.527 0.300 . 1 . . . . 60 SER CB . 26940 1 345 . 1 1 61 61 TYR H H 1 7.803 0.030 . 1 . . . . 61 TYR H . 26940 1 346 . 1 1 61 61 TYR C C 13 175.207 0.300 . 1 . . . . 61 TYR C . 26940 1 347 . 1 1 61 61 TYR CA C 13 57.824 0.300 . 1 . . . . 61 TYR CA . 26940 1 348 . 1 1 61 61 TYR CB C 13 38.704 0.300 . 1 . . . . 61 TYR CB . 26940 1 349 . 1 1 61 61 TYR N N 15 121.391 0.300 . 1 . . . . 61 TYR N . 26940 1 350 . 1 1 62 62 TYR H H 1 7.766 0.030 . 1 . . . . 62 TYR H . 26940 1 351 . 1 1 62 62 TYR C C 13 175.354 0.300 . 1 . . . . 62 TYR C . 26940 1 352 . 1 1 62 62 TYR CA C 13 57.774 0.300 . 1 . . . . 62 TYR CA . 26940 1 353 . 1 1 62 62 TYR CB C 13 38.801 0.300 . 1 . . . . 62 TYR CB . 26940 1 354 . 1 1 62 62 TYR N N 15 120.539 0.300 . 1 . . . . 62 TYR N . 26940 1 355 . 1 1 63 63 THR H H 1 7.678 0.030 . 1 . . . . 63 THR H . 26940 1 356 . 1 1 63 63 THR CA C 13 61.368 0.300 . 1 . . . . 63 THR CA . 26940 1 357 . 1 1 63 63 THR CB C 13 69.771 0.300 . 1 . . . . 63 THR CB . 26940 1 358 . 1 1 63 63 THR N N 15 116.206 0.300 . 1 . . . . 63 THR N . 26940 1 359 . 1 1 65 65 PRO HA H 1 4.198 0.030 . 1 . . . . 65 PRO HA . 26940 1 360 . 1 1 65 65 PRO HB2 H 1 2.069 0.030 . 2 . . . . 65 PRO HB2 . 26940 1 361 . 1 1 65 65 PRO HB3 H 1 1.698 0.030 . 2 . . . . 65 PRO HB3 . 26940 1 362 . 1 1 65 65 PRO C C 13 176.028 0.300 . 1 . . . . 65 PRO C . 26940 1 363 . 1 1 65 65 PRO CA C 13 62.746 0.300 . 1 . . . . 65 PRO CA . 26940 1 364 . 1 1 65 65 PRO CB C 13 31.885 0.300 . 1 . . . . 65 PRO CB . 26940 1 365 . 1 1 66 66 ALA H H 1 8.116 0.030 . 1 . . . . 66 ALA H . 26940 1 366 . 1 1 66 66 ALA C C 13 175.361 0.300 . 1 . . . . 66 ALA C . 26940 1 367 . 1 1 66 66 ALA CA C 13 50.297 0.300 . 1 . . . . 66 ALA CA . 26940 1 368 . 1 1 66 66 ALA CB C 13 17.921 0.300 . 1 . . . . 66 ALA CB . 26940 1 369 . 1 1 66 66 ALA N N 15 125.619 0.300 . 1 . . . . 66 ALA N . 26940 1 370 . 1 1 67 67 PRO C C 13 176.947 0.300 . 1 . . . . 67 PRO C . 26940 1 371 . 1 1 67 67 PRO CA C 13 63.173 0.300 . 1 . . . . 67 PRO CA . 26940 1 372 . 1 1 67 67 PRO CB C 13 31.991 0.300 . 1 . . . . 67 PRO CB . 26940 1 373 . 1 1 67 67 PRO N N 15 135.742 0.300 . 1 . . . . 67 PRO N . 26940 1 374 . 1 1 68 68 ILE H H 1 8.029 0.030 . 1 . . . . 68 ILE H . 26940 1 375 . 1 1 68 68 ILE CA C 13 58.271 0.300 . 1 . . . . 68 ILE CA . 26940 1 376 . 1 1 68 68 ILE CB C 13 44.461 0.300 . 1 . . . . 68 ILE CB . 26940 1 377 . 1 1 68 68 ILE N N 15 114.506 0.300 . 1 . . . . 68 ILE N . 26940 1 378 . 1 1 71 71 ASN HA H 1 4.524 0.030 . 1 . . . . 71 ASN HA . 26940 1 379 . 1 1 71 71 ASN HB2 H 1 2.608 0.030 . 2 . . . . 71 ASN HB2 . 26940 1 380 . 1 1 71 71 ASN HB3 H 1 2.521 0.030 . 2 . . . . 71 ASN HB3 . 26940 1 381 . 1 1 71 71 ASN C C 13 174.472 0.300 . 1 . . . . 71 ASN C . 26940 1 382 . 1 1 71 71 ASN CA C 13 52.839 0.300 . 1 . . . . 71 ASN CA . 26940 1 383 . 1 1 71 71 ASN CB C 13 38.654 0.300 . 1 . . . . 71 ASN CB . 26940 1 384 . 1 1 72 72 ASN H H 1 8.140 0.030 . 1 . . . . 72 ASN H . 26940 1 385 . 1 1 72 72 ASN C C 13 172.918 0.300 . 1 . . . . 72 ASN C . 26940 1 386 . 1 1 72 72 ASN CA C 13 51.379 0.300 . 1 . . . . 72 ASN CA . 26940 1 387 . 1 1 72 72 ASN CB C 13 38.743 0.300 . 1 . . . . 72 ASN CB . 26940 1 388 . 1 1 72 72 ASN N N 15 119.978 0.300 . 1 . . . . 72 ASN N . 26940 1 389 . 1 1 73 73 PRO HA H 1 4.219 0.030 . 1 . . . . 73 PRO HA . 26940 1 390 . 1 1 73 73 PRO HD3 H 1 3.757 0.030 . 2 . . . . 73 PRO HD3 . 26940 1 391 . 1 1 73 73 PRO C C 13 176.729 0.300 . 1 . . . . 73 PRO C . 26940 1 392 . 1 1 73 73 PRO CA C 13 63.195 0.300 . 1 . . . . 73 PRO CA . 26940 1 393 . 1 1 73 73 PRO CB C 13 32.073 0.300 . 1 . . . . 73 PRO CB . 26940 1 394 . 1 1 73 73 PRO N N 15 136.206 0.300 . 1 . . . . 73 PRO N . 26940 1 395 . 1 1 74 74 ILE H H 1 8.012 0.030 . 1 . . . . 74 ILE H . 26940 1 396 . 1 1 74 74 ILE HA H 1 4.001 0.030 . 1 . . . . 74 ILE HA . 26940 1 397 . 1 1 74 74 ILE HB H 1 1.689 0.030 . 1 . . . . 74 ILE HB . 26940 1 398 . 1 1 74 74 ILE C C 13 176.417 0.300 . 1 . . . . 74 ILE C . 26940 1 399 . 1 1 74 74 ILE CA C 13 61.139 0.300 . 1 . . . . 74 ILE CA . 26940 1 400 . 1 1 74 74 ILE CB C 13 38.383 0.300 . 1 . . . . 74 ILE CB . 26940 1 401 . 1 1 74 74 ILE N N 15 120.516 0.300 . 1 . . . . 74 ILE N . 26940 1 402 . 1 1 75 75 THR H H 1 7.965 0.030 . 1 . . . . 75 THR H . 26940 1 403 . 1 1 75 75 THR HA H 1 4.181 0.030 . 1 . . . . 75 THR HA . 26940 1 404 . 1 1 75 75 THR HB H 1 3.976 0.030 . 1 . . . . 75 THR HB . 26940 1 405 . 1 1 75 75 THR C C 13 174.314 0.300 . 1 . . . . 75 THR C . 26940 1 406 . 1 1 75 75 THR CA C 13 61.618 0.300 . 1 . . . . 75 THR CA . 26940 1 407 . 1 1 75 75 THR CB C 13 69.887 0.300 . 1 . . . . 75 THR CB . 26940 1 408 . 1 1 75 75 THR N N 15 118.225 0.300 . 1 . . . . 75 THR N . 26940 1 409 . 1 1 76 76 VAL H H 1 7.957 0.030 . 1 . . . . 76 VAL H . 26940 1 410 . 1 1 76 76 VAL HA H 1 3.934 0.030 . 1 . . . . 76 VAL HA . 26940 1 411 . 1 1 76 76 VAL HB H 1 1.875 0.030 . 1 . . . . 76 VAL HB . 26940 1 412 . 1 1 76 76 VAL C C 13 175.786 0.300 . 1 . . . . 76 VAL C . 26940 1 413 . 1 1 76 76 VAL CA C 13 62.133 0.300 . 1 . . . . 76 VAL CA . 26940 1 414 . 1 1 76 76 VAL CB C 13 32.578 0.300 . 1 . . . . 76 VAL CB . 26940 1 415 . 1 1 76 76 VAL N N 15 122.661 0.300 . 1 . . . . 76 VAL N . 26940 1 416 . 1 1 77 77 GLN H H 1 8.264 0.030 . 1 . . . . 77 GLN H . 26940 1 417 . 1 1 77 77 GLN HA H 1 4.208 0.030 . 1 . . . . 77 GLN HA . 26940 1 418 . 1 1 77 77 GLN HB3 H 1 1.889 0.030 . 2 . . . . 77 GLN HB3 . 26940 1 419 . 1 1 77 77 GLN C C 13 175.785 0.300 . 1 . . . . 77 GLN C . 26940 1 420 . 1 1 77 77 GLN CA C 13 55.574 0.300 . 1 . . . . 77 GLN CA . 26940 1 421 . 1 1 77 77 GLN CB C 13 29.341 0.300 . 1 . . . . 77 GLN CB . 26940 1 422 . 1 1 77 77 GLN N N 15 124.176 0.300 . 1 . . . . 77 GLN N . 26940 1 423 . 1 1 78 78 THR H H 1 8.023 0.030 . 1 . . . . 78 THR H . 26940 1 424 . 1 1 78 78 THR HA H 1 4.085 0.030 . 1 . . . . 78 THR HA . 26940 1 425 . 1 1 78 78 THR HB H 1 3.900 0.030 . 1 . . . . 78 THR HB . 26940 1 426 . 1 1 78 78 THR C C 13 171.838 0.300 . 1 . . . . 78 THR C . 26940 1 427 . 1 1 78 78 THR CA C 13 62.013 0.300 . 1 . . . . 78 THR CA . 26940 1 428 . 1 1 78 78 THR CB C 13 69.636 0.300 . 1 . . . . 78 THR CB . 26940 1 429 . 1 1 78 78 THR N N 15 116.839 0.300 . 1 . . . . 78 THR N . 26940 1 430 . 1 1 79 79 VAL H H 1 7.886 0.030 . 1 . . . . 79 VAL H . 26940 1 431 . 1 1 79 79 VAL CA C 13 62.025 0.300 . 1 . . . . 79 VAL CA . 26940 1 432 . 1 1 79 79 VAL CB C 13 32.644 0.300 . 1 . . . . 79 VAL CB . 26940 1 433 . 1 1 79 79 VAL N N 15 122.646 0.300 . 1 . . . . 79 VAL N . 26940 1 434 . 1 1 80 80 TYR H H 1 8.123 0.030 . 1 . . . . 80 TYR H . 26940 1 435 . 1 1 80 80 TYR C C 13 174.556 0.300 . 1 . . . . 80 TYR C . 26940 1 436 . 1 1 80 80 TYR CA C 13 57.688 0.300 . 1 . . . . 80 TYR CA . 26940 1 437 . 1 1 80 80 TYR CB C 13 38.632 0.300 . 1 . . . . 80 TYR CB . 26940 1 438 . 1 1 80 80 TYR N N 15 124.704 0.300 . 1 . . . . 80 TYR N . 26940 1 439 . 1 1 81 81 VAL H H 1 7.764 0.030 . 1 . . . . 81 VAL H . 26940 1 440 . 1 1 81 81 VAL HA H 1 3.777 0.030 . 1 . . . . 81 VAL HA . 26940 1 441 . 1 1 81 81 VAL HB H 1 1.709 0.030 . 1 . . . . 81 VAL HB . 26940 1 442 . 1 1 81 81 VAL C C 13 173.143 0.300 . 1 . . . . 81 VAL C . 26940 1 443 . 1 1 81 81 VAL CA C 13 61.733 0.300 . 1 . . . . 81 VAL CA . 26940 1 444 . 1 1 81 81 VAL CB C 13 32.803 0.300 . 1 . . . . 81 VAL CB . 26940 1 445 . 1 1 81 81 VAL N N 15 123.430 0.300 . 1 . . . . 81 VAL N . 26940 1 446 . 1 1 82 82 GLN H H 1 8.133 0.030 . 1 . . . . 82 GLN H . 26940 1 447 . 1 1 82 82 GLN C C 13 174.772 0.300 . 1 . . . . 82 GLN C . 26940 1 448 . 1 1 82 82 GLN CA C 13 55.533 0.300 . 1 . . . . 82 GLN CA . 26940 1 449 . 1 1 82 82 GLN CB C 13 29.341 0.300 . 1 . . . . 82 GLN CB . 26940 1 450 . 1 1 82 82 GLN N N 15 124.255 0.300 . 1 . . . . 82 GLN N . 26940 1 451 . 1 1 83 83 HIS C C 13 173.070 0.300 . 1 . . . . 83 HIS C . 26940 1 452 . 1 1 83 83 HIS CA C 13 54.056 0.300 . 1 . . . . 83 HIS CA . 26940 1 453 . 1 1 83 83 HIS CB C 13 30.292 0.300 . 1 . . . . 83 HIS CB . 26940 1 454 . 1 1 84 84 PRO HA H 1 4.208 0.030 . 1 . . . . 84 PRO HA . 26940 1 455 . 1 1 84 84 PRO HB2 H 1 2.039 0.030 . 2 . . . . 84 PRO HB2 . 26940 1 456 . 1 1 84 84 PRO HB3 H 1 1.657 0.030 . 2 . . . . 84 PRO HB3 . 26940 1 457 . 1 1 84 84 PRO C C 13 176.397 0.300 . 1 . . . . 84 PRO C . 26940 1 458 . 1 1 84 84 PRO CA C 13 63.055 0.300 . 1 . . . . 84 PRO CA . 26940 1 459 . 1 1 84 84 PRO CB C 13 31.772 0.300 . 1 . . . . 84 PRO CB . 26940 1 460 . 1 1 84 84 PRO N N 15 136.588 0.300 . 1 . . . . 84 PRO N . 26940 1 461 . 1 1 85 85 ILE H H 1 8.046 0.030 . 1 . . . . 85 ILE H . 26940 1 462 . 1 1 85 85 ILE HA H 1 3.721 0.030 . 1 . . . . 85 ILE HA . 26940 1 463 . 1 1 85 85 ILE HB H 1 1.264 0.030 . 1 . . . . 85 ILE HB . 26940 1 464 . 1 1 85 85 ILE C C 13 175.581 0.300 . 1 . . . . 85 ILE C . 26940 1 465 . 1 1 85 85 ILE CA C 13 60.209 0.300 . 1 . . . . 85 ILE CA . 26940 1 466 . 1 1 85 85 ILE CB C 13 39.001 0.300 . 1 . . . . 85 ILE CB . 26940 1 467 . 1 1 85 85 ILE N N 15 123.505 0.300 . 1 . . . . 85 ILE N . 26940 1 468 . 1 1 86 86 THR H H 1 7.756 0.030 . 1 . . . . 86 THR H . 26940 1 469 . 1 1 86 86 THR HA H 1 4.227 0.030 . 1 . . . . 86 THR HA . 26940 1 470 . 1 1 86 86 THR C C 13 172.640 0.300 . 1 . . . . 86 THR C . 26940 1 471 . 1 1 86 86 THR CA C 13 61.114 0.300 . 1 . . . . 86 THR CA . 26940 1 472 . 1 1 86 86 THR CB C 13 69.447 0.300 . 1 . . . . 86 THR CB . 26940 1 473 . 1 1 86 86 THR N N 15 122.365 0.300 . 1 . . . . 86 THR N . 26940 1 474 . 1 1 87 87 PHE H H 1 8.169 0.030 . 1 . . . . 87 PHE H . 26940 1 475 . 1 1 87 87 PHE HA H 1 3.455 0.030 . 1 . . . . 87 PHE HA . 26940 1 476 . 1 1 87 87 PHE C C 13 174.300 0.300 . 1 . . . . 87 PHE C . 26940 1 477 . 1 1 87 87 PHE CA C 13 59.377 0.300 . 1 . . . . 87 PHE CA . 26940 1 478 . 1 1 87 87 PHE CB C 13 38.472 0.300 . 1 . . . . 87 PHE CB . 26940 1 479 . 1 1 87 87 PHE N N 15 125.948 0.300 . 1 . . . . 87 PHE N . 26940 1 480 . 1 1 88 88 LEU H H 1 7.606 0.030 . 1 . . . . 88 LEU H . 26940 1 481 . 1 1 88 88 LEU HA H 1 4.286 0.030 . 1 . . . . 88 LEU HA . 26940 1 482 . 1 1 88 88 LEU HB2 H 1 1.378 0.030 . 2 . . . . 88 LEU HB2 . 26940 1 483 . 1 1 88 88 LEU C C 13 175.805 0.300 . 1 . . . . 88 LEU C . 26940 1 484 . 1 1 88 88 LEU CA C 13 53.333 0.300 . 1 . . . . 88 LEU CA . 26940 1 485 . 1 1 88 88 LEU CB C 13 41.838 0.300 . 1 . . . . 88 LEU CB . 26940 1 486 . 1 1 88 88 LEU N N 15 125.578 0.300 . 1 . . . . 88 LEU N . 26940 1 487 . 1 1 89 89 ASP H H 1 8.059 0.030 . 1 . . . . 89 ASP H . 26940 1 488 . 1 1 89 89 ASP HA H 1 4.369 0.030 . 1 . . . . 89 ASP HA . 26940 1 489 . 1 1 89 89 ASP HB2 H 1 2.976 0.030 . 2 . . . . 89 ASP HB2 . 26940 1 490 . 1 1 89 89 ASP HB3 H 1 2.264 0.030 . 2 . . . . 89 ASP HB3 . 26940 1 491 . 1 1 89 89 ASP C C 13 174.298 0.300 . 1 . . . . 89 ASP C . 26940 1 492 . 1 1 89 89 ASP CA C 13 52.439 0.300 . 1 . . . . 89 ASP CA . 26940 1 493 . 1 1 89 89 ASP CB C 13 39.395 0.300 . 1 . . . . 89 ASP CB . 26940 1 494 . 1 1 89 89 ASP N N 15 117.544 0.300 . 1 . . . . 89 ASP N . 26940 1 495 . 1 1 90 90 ARG H H 1 7.510 0.030 . 1 . . . . 90 ARG H . 26940 1 496 . 1 1 90 90 ARG C C 13 173.017 0.300 . 1 . . . . 90 ARG C . 26940 1 497 . 1 1 90 90 ARG CA C 13 52.557 0.300 . 1 . . . . 90 ARG CA . 26940 1 498 . 1 1 90 90 ARG CB C 13 31.261 0.300 . 1 . . . . 90 ARG CB . 26940 1 499 . 1 1 90 90 ARG N N 15 116.572 0.300 . 1 . . . . 90 ARG N . 26940 1 500 . 1 1 91 91 PRO C C 13 176.575 0.300 . 1 . . . . 91 PRO C . 26940 1 501 . 1 1 91 91 PRO CA C 13 63.870 0.300 . 1 . . . . 91 PRO CA . 26940 1 502 . 1 1 91 91 PRO CB C 13 32.229 0.300 . 1 . . . . 91 PRO CB . 26940 1 503 . 1 1 91 91 PRO N N 15 136.054 0.300 . 1 . . . . 91 PRO N . 26940 1 504 . 1 1 92 92 ILE H H 1 8.907 0.030 . 1 . . . . 92 ILE H . 26940 1 505 . 1 1 92 92 ILE HA H 1 4.170 0.030 . 1 . . . . 92 ILE HA . 26940 1 506 . 1 1 92 92 ILE HB H 1 1.409 0.030 . 1 . . . . 92 ILE HB . 26940 1 507 . 1 1 92 92 ILE C C 13 175.617 0.300 . 1 . . . . 92 ILE C . 26940 1 508 . 1 1 92 92 ILE CA C 13 59.371 0.300 . 1 . . . . 92 ILE CA . 26940 1 509 . 1 1 92 92 ILE CB C 13 41.995 0.300 . 1 . . . . 92 ILE CB . 26940 1 510 . 1 1 92 92 ILE N N 15 123.715 0.300 . 1 . . . . 92 ILE N . 26940 1 511 . 1 1 93 93 GLN H H 1 8.234 0.030 . 1 . . . . 93 GLN H . 26940 1 512 . 1 1 93 93 GLN HA H 1 5.267 0.030 . 1 . . . . 93 GLN HA . 26940 1 513 . 1 1 93 93 GLN HB2 H 1 1.855 0.030 . 2 . . . . 93 GLN HB2 . 26940 1 514 . 1 1 93 93 GLN HB3 H 1 1.709 0.030 . 2 . . . . 93 GLN HB3 . 26940 1 515 . 1 1 93 93 GLN C C 13 174.810 0.300 . 1 . . . . 93 GLN C . 26940 1 516 . 1 1 93 93 GLN CA C 13 54.296 0.300 . 1 . . . . 93 GLN CA . 26940 1 517 . 1 1 93 93 GLN CB C 13 29.113 0.300 . 1 . . . . 93 GLN CB . 26940 1 518 . 1 1 93 93 GLN N N 15 126.249 0.300 . 1 . . . . 93 GLN N . 26940 1 519 . 1 1 94 94 MET H H 1 8.768 0.030 . 1 . . . . 94 MET H . 26940 1 520 . 1 1 94 94 MET HA H 1 4.456 0.030 . 1 . . . . 94 MET HA . 26940 1 521 . 1 1 94 94 MET HB3 H 1 1.843 0.030 . 2 . . . . 94 MET HB3 . 26940 1 522 . 1 1 94 94 MET C C 13 172.093 0.300 . 1 . . . . 94 MET C . 26940 1 523 . 1 1 94 94 MET CA C 13 55.111 0.300 . 1 . . . . 94 MET CA . 26940 1 524 . 1 1 94 94 MET CB C 13 34.703 0.300 . 1 . . . . 94 MET CB . 26940 1 525 . 1 1 94 94 MET N N 15 122.138 0.300 . 1 . . . . 94 MET N . 26940 1 526 . 1 1 95 95 CYS H H 1 8.353 0.030 . 1 . . . . 95 CYS H . 26940 1 527 . 1 1 95 95 CYS HA H 1 4.656 0.030 . 1 . . . . 95 CYS HA . 26940 1 528 . 1 1 95 95 CYS HB3 H 1 2.497 0.030 . 2 . . . . 95 CYS HB3 . 26940 1 529 . 1 1 95 95 CYS C C 13 174.572 0.300 . 1 . . . . 95 CYS C . 26940 1 530 . 1 1 95 95 CYS CA C 13 57.380 0.300 . 1 . . . . 95 CYS CA . 26940 1 531 . 1 1 95 95 CYS CB C 13 27.010 0.300 . 1 . . . . 95 CYS CB . 26940 1 532 . 1 1 95 95 CYS N N 15 120.353 0.300 . 1 . . . . 95 CYS N . 26940 1 533 . 1 1 96 96 CYS H H 1 8.688 0.030 . 1 . . . . 96 CYS H . 26940 1 534 . 1 1 96 96 CYS C C 13 176.148 0.300 . 1 . . . . 96 CYS C . 26940 1 535 . 1 1 96 96 CYS CA C 13 57.329 0.300 . 1 . . . . 96 CYS CA . 26940 1 536 . 1 1 96 96 CYS CB C 13 32.150 0.300 . 1 . . . . 96 CYS CB . 26940 1 537 . 1 1 96 96 CYS N N 15 133.924 0.300 . 1 . . . . 96 CYS N . 26940 1 538 . 1 1 97 97 PRO HA H 1 4.334 0.030 . 1 . . . . 97 PRO HA . 26940 1 539 . 1 1 97 97 PRO HB2 H 1 2.122 0.030 . 2 . . . . 97 PRO HB2 . 26940 1 540 . 1 1 97 97 PRO HB3 H 1 1.827 0.030 . 2 . . . . 97 PRO HB3 . 26940 1 541 . 1 1 97 97 PRO C C 13 176.822 0.300 . 1 . . . . 97 PRO C . 26940 1 542 . 1 1 97 97 PRO CA C 13 63.829 0.300 . 1 . . . . 97 PRO CA . 26940 1 543 . 1 1 97 97 PRO CB C 13 32.052 0.300 . 1 . . . . 97 PRO CB . 26940 1 544 . 1 1 97 97 PRO N N 15 140.167 0.300 . 1 . . . . 97 PRO N . 26940 1 545 . 1 1 98 98 SER H H 1 9.238 0.030 . 1 . . . . 98 SER H . 26940 1 546 . 1 1 98 98 SER HA H 1 4.370 0.030 . 1 . . . . 98 SER HA . 26940 1 547 . 1 1 98 98 SER HB2 H 1 3.809 0.030 . 2 . . . . 98 SER HB2 . 26940 1 548 . 1 1 98 98 SER HB3 H 1 3.494 0.030 . 2 . . . . 98 SER HB3 . 26940 1 549 . 1 1 98 98 SER C C 13 175.319 0.300 . 1 . . . . 98 SER C . 26940 1 550 . 1 1 98 98 SER CA C 13 60.230 0.300 . 1 . . . . 98 SER CA . 26940 1 551 . 1 1 98 98 SER CB C 13 62.793 0.300 . 1 . . . . 98 SER CB . 26940 1 552 . 1 1 98 98 SER N N 15 118.355 0.300 . 1 . . . . 98 SER N . 26940 1 553 . 1 1 99 99 CYS H H 1 8.757 0.030 . 1 . . . . 99 CYS H . 26940 1 554 . 1 1 99 99 CYS HA H 1 4.006 0.030 . 1 . . . . 99 CYS HA . 26940 1 555 . 1 1 99 99 CYS HG H 1 1.688 0.030 . 1 . . . . 99 CYS HG . 26940 1 556 . 1 1 99 99 CYS C C 13 176.066 0.300 . 1 . . . . 99 CYS C . 26940 1 557 . 1 1 99 99 CYS CA C 13 58.702 0.300 . 1 . . . . 99 CYS CA . 26940 1 558 . 1 1 99 99 CYS CB C 13 30.922 0.300 . 1 . . . . 99 CYS CB . 26940 1 559 . 1 1 99 99 CYS N N 15 120.570 0.300 . 1 . . . . 99 CYS N . 26940 1 560 . 1 1 100 100 ASN H H 1 8.007 0.030 . 1 . . . . 100 ASN H . 26940 1 561 . 1 1 100 100 ASN HB2 H 1 2.836 0.030 . 2 . . . . 100 ASN HB2 . 26940 1 562 . 1 1 100 100 ASN HB3 H 1 2.528 0.030 . 2 . . . . 100 ASN HB3 . 26940 1 563 . 1 1 100 100 ASN C C 13 173.562 0.300 . 1 . . . . 100 ASN C . 26940 1 564 . 1 1 100 100 ASN CA C 13 54.924 0.300 . 1 . . . . 100 ASN CA . 26940 1 565 . 1 1 100 100 ASN CB C 13 37.629 0.300 . 1 . . . . 100 ASN CB . 26940 1 566 . 1 1 100 100 ASN N N 15 118.786 0.300 . 1 . . . . 100 ASN N . 26940 1 567 . 1 1 101 101 LYS H H 1 7.423 0.030 . 1 . . . . 101 LYS H . 26940 1 568 . 1 1 101 101 LYS HA H 1 4.356 0.030 . 1 . . . . 101 LYS HA . 26940 1 569 . 1 1 101 101 LYS HB2 H 1 1.628 0.030 . 2 . . . . 101 LYS HB2 . 26940 1 570 . 1 1 101 101 LYS HB3 H 1 1.485 0.030 . 2 . . . . 101 LYS HB3 . 26940 1 571 . 1 1 101 101 LYS C C 13 175.515 0.300 . 1 . . . . 101 LYS C . 26940 1 572 . 1 1 101 101 LYS CA C 13 54.958 0.300 . 1 . . . . 101 LYS CA . 26940 1 573 . 1 1 101 101 LYS CB C 13 34.123 0.300 . 1 . . . . 101 LYS CB . 26940 1 574 . 1 1 101 101 LYS N N 15 118.400 0.300 . 1 . . . . 101 LYS N . 26940 1 575 . 1 1 102 102 MET H H 1 8.264 0.030 . 1 . . . . 102 MET H . 26940 1 576 . 1 1 102 102 MET HA H 1 4.615 0.030 . 1 . . . . 102 MET HA . 26940 1 577 . 1 1 102 102 MET HB3 H 1 1.793 0.030 . 2 . . . . 102 MET HB3 . 26940 1 578 . 1 1 102 102 MET C C 13 175.676 0.300 . 1 . . . . 102 MET C . 26940 1 579 . 1 1 102 102 MET CA C 13 54.721 0.300 . 1 . . . . 102 MET CA . 26940 1 580 . 1 1 102 102 MET CB C 13 29.544 0.300 . 1 . . . . 102 MET CB . 26940 1 581 . 1 1 102 102 MET N N 15 121.669 0.300 . 1 . . . . 102 MET N . 26940 1 582 . 1 1 103 103 ILE H H 1 8.888 0.030 . 1 . . . . 103 ILE H . 26940 1 583 . 1 1 103 103 ILE HA H 1 4.625 0.030 . 1 . . . . 103 ILE HA . 26940 1 584 . 1 1 103 103 ILE HB H 1 1.749 0.030 . 1 . . . . 103 ILE HB . 26940 1 585 . 1 1 103 103 ILE C C 13 175.120 0.300 . 1 . . . . 103 ILE C . 26940 1 586 . 1 1 103 103 ILE CA C 13 58.296 0.300 . 1 . . . . 103 ILE CA . 26940 1 587 . 1 1 103 103 ILE CB C 13 44.788 0.300 . 1 . . . . 103 ILE CB . 26940 1 588 . 1 1 103 103 ILE N N 15 122.726 0.300 . 1 . . . . 103 ILE N . 26940 1 589 . 1 1 104 104 VAL H H 1 7.482 0.030 . 1 . . . . 104 VAL H . 26940 1 590 . 1 1 104 104 VAL HA H 1 4.490 0.030 . 1 . . . . 104 VAL HA . 26940 1 591 . 1 1 104 104 VAL HB H 1 1.656 0.030 . 1 . . . . 104 VAL HB . 26940 1 592 . 1 1 104 104 VAL C C 13 176.767 0.300 . 1 . . . . 104 VAL C . 26940 1 593 . 1 1 104 104 VAL CA C 13 61.202 0.300 . 1 . . . . 104 VAL CA . 26940 1 594 . 1 1 104 104 VAL CB C 13 32.841 0.300 . 1 . . . . 104 VAL CB . 26940 1 595 . 1 1 104 104 VAL N N 15 120.839 0.300 . 1 . . . . 104 VAL N . 26940 1 596 . 1 1 105 105 SER H H 1 9.098 0.030 . 1 . . . . 105 SER H . 26940 1 597 . 1 1 105 105 SER HA H 1 3.985 0.030 . 1 . . . . 105 SER HA . 26940 1 598 . 1 1 105 105 SER HB3 H 1 3.789 0.030 . 2 . . . . 105 SER HB3 . 26940 1 599 . 1 1 105 105 SER C C 13 171.499 0.300 . 1 . . . . 105 SER C . 26940 1 600 . 1 1 105 105 SER CA C 13 59.811 0.300 . 1 . . . . 105 SER CA . 26940 1 601 . 1 1 105 105 SER CB C 13 63.328 0.300 . 1 . . . . 105 SER CB . 26940 1 602 . 1 1 105 105 SER N N 15 124.183 0.300 . 1 . . . . 105 SER N . 26940 1 603 . 1 1 106 106 GLN H H 1 8.896 0.030 . 1 . . . . 106 GLN H . 26940 1 604 . 1 1 106 106 GLN HA H 1 4.356 0.030 . 1 . . . . 106 GLN HA . 26940 1 605 . 1 1 106 106 GLN HB2 H 1 1.834 0.030 . 2 . . . . 106 GLN HB2 . 26940 1 606 . 1 1 106 106 GLN HB3 H 1 1.680 0.030 . 2 . . . . 106 GLN HB3 . 26940 1 607 . 1 1 106 106 GLN C C 13 175.603 0.300 . 1 . . . . 106 GLN C . 26940 1 608 . 1 1 106 106 GLN CA C 13 53.736 0.300 . 1 . . . . 106 GLN CA . 26940 1 609 . 1 1 106 106 GLN CB C 13 30.888 0.300 . 1 . . . . 106 GLN CB . 26940 1 610 . 1 1 106 106 GLN N N 15 118.493 0.300 . 1 . . . . 106 GLN N . 26940 1 611 . 1 1 107 107 LEU H H 1 8.270 0.030 . 1 . . . . 107 LEU H . 26940 1 612 . 1 1 107 107 LEU HA H 1 4.572 0.030 . 1 . . . . 107 LEU HA . 26940 1 613 . 1 1 107 107 LEU HB2 H 1 1.290 0.030 . 2 . . . . 107 LEU HB2 . 26940 1 614 . 1 1 107 107 LEU HD11 H 1 0.711 0.030 . 2 . . . . 107 LEU HD1 . 26940 1 615 . 1 1 107 107 LEU HD12 H 1 0.711 0.030 . 2 . . . . 107 LEU HD1 . 26940 1 616 . 1 1 107 107 LEU HD13 H 1 0.711 0.030 . 2 . . . . 107 LEU HD1 . 26940 1 617 . 1 1 107 107 LEU C C 13 177.849 0.300 . 1 . . . . 107 LEU C . 26940 1 618 . 1 1 107 107 LEU CA C 13 54.805 0.300 . 1 . . . . 107 LEU CA . 26940 1 619 . 1 1 107 107 LEU CB C 13 41.954 0.300 . 1 . . . . 107 LEU CB . 26940 1 620 . 1 1 107 107 LEU N N 15 125.264 0.300 . 1 . . . . 107 LEU N . 26940 1 621 . 1 1 108 108 SER H H 1 8.729 0.030 . 1 . . . . 108 SER H . 26940 1 622 . 1 1 108 108 SER HA H 1 4.390 0.030 . 1 . . . . 108 SER HA . 26940 1 623 . 1 1 108 108 SER HB2 H 1 3.713 0.030 . 2 . . . . 108 SER HB2 . 26940 1 624 . 1 1 108 108 SER HB3 H 1 3.596 0.030 . 2 . . . . 108 SER HB3 . 26940 1 625 . 1 1 108 108 SER C C 13 172.988 0.300 . 1 . . . . 108 SER C . 26940 1 626 . 1 1 108 108 SER CA C 13 57.074 0.300 . 1 . . . . 108 SER CA . 26940 1 627 . 1 1 108 108 SER CB C 13 64.650 0.300 . 1 . . . . 108 SER CB . 26940 1 628 . 1 1 108 108 SER N N 15 116.996 0.300 . 1 . . . . 108 SER N . 26940 1 629 . 1 1 109 109 TYR H H 1 8.268 0.030 . 1 . . . . 109 TYR H . 26940 1 630 . 1 1 109 109 TYR HA H 1 4.711 0.030 . 1 . . . . 109 TYR HA . 26940 1 631 . 1 1 109 109 TYR HB2 H 1 2.826 0.030 . 2 . . . . 109 TYR HB2 . 26940 1 632 . 1 1 109 109 TYR HB3 H 1 2.673 0.030 . 2 . . . . 109 TYR HB3 . 26940 1 633 . 1 1 109 109 TYR C C 13 175.553 0.300 . 1 . . . . 109 TYR C . 26940 1 634 . 1 1 109 109 TYR CA C 13 57.649 0.300 . 1 . . . . 109 TYR CA . 26940 1 635 . 1 1 109 109 TYR CB C 13 38.989 0.300 . 1 . . . . 109 TYR CB . 26940 1 636 . 1 1 109 109 TYR N N 15 124.624 0.300 . 1 . . . . 109 TYR N . 26940 1 637 . 1 1 110 110 ASN H H 1 8.520 0.030 . 1 . . . . 110 ASN H . 26940 1 638 . 1 1 110 110 ASN HA H 1 4.572 0.030 . 1 . . . . 110 ASN HA . 26940 1 639 . 1 1 110 110 ASN HB2 H 1 2.625 0.030 . 2 . . . . 110 ASN HB2 . 26940 1 640 . 1 1 110 110 ASN HB3 H 1 2.526 0.030 . 2 . . . . 110 ASN HB3 . 26940 1 641 . 1 1 110 110 ASN C C 13 174.532 0.300 . 1 . . . . 110 ASN C . 26940 1 642 . 1 1 110 110 ASN CA C 13 52.782 0.300 . 1 . . . . 110 ASN CA . 26940 1 643 . 1 1 110 110 ASN CB C 13 39.639 0.300 . 1 . . . . 110 ASN CB . 26940 1 644 . 1 1 110 110 ASN N N 15 121.954 0.300 . 1 . . . . 110 ASN N . 26940 1 645 . 1 1 111 111 ALA H H 1 8.375 0.030 . 1 . . . . 111 ALA H . 26940 1 646 . 1 1 111 111 ALA HA H 1 4.144 0.030 . 1 . . . . 111 ALA HA . 26940 1 647 . 1 1 111 111 ALA HB1 H 1 1.220 0.030 . 1 . . . . 111 ALA HB . 26940 1 648 . 1 1 111 111 ALA HB2 H 1 1.220 0.030 . 1 . . . . 111 ALA HB . 26940 1 649 . 1 1 111 111 ALA HB3 H 1 1.220 0.030 . 1 . . . . 111 ALA HB . 26940 1 650 . 1 1 111 111 ALA C C 13 178.085 0.300 . 1 . . . . 111 ALA C . 26940 1 651 . 1 1 111 111 ALA CA C 13 52.757 0.300 . 1 . . . . 111 ALA CA . 26940 1 652 . 1 1 111 111 ALA CB C 13 19.031 0.300 . 1 . . . . 111 ALA CB . 26940 1 653 . 1 1 111 111 ALA N N 15 125.888 0.300 . 1 . . . . 111 ALA N . 26940 1 654 . 1 1 112 112 GLY H H 1 8.194 0.030 . 1 . . . . 112 GLY H . 26940 1 655 . 1 1 112 112 GLY HA3 H 1 3.916 0.030 . 2 . . . . 112 GLY HA3 . 26940 1 656 . 1 1 112 112 GLY C C 13 174.121 0.300 . 1 . . . . 112 GLY C . 26940 1 657 . 1 1 112 112 GLY CA C 13 45.125 0.300 . 1 . . . . 112 GLY CA . 26940 1 658 . 1 1 112 112 GLY N N 15 107.525 0.300 . 1 . . . . 112 GLY N . 26940 1 659 . 1 1 113 113 ALA H H 1 8.058 0.030 . 1 . . . . 113 ALA H . 26940 1 660 . 1 1 113 113 ALA C C 13 177.113 0.300 . 1 . . . . 113 ALA C . 26940 1 661 . 1 1 113 113 ALA CA C 13 53.503 0.300 . 1 . . . . 113 ALA CA . 26940 1 662 . 1 1 113 113 ALA CB C 13 19.053 0.300 . 1 . . . . 113 ALA CB . 26940 1 663 . 1 1 113 113 ALA N N 15 123.882 0.300 . 1 . . . . 113 ALA N . 26940 1 664 . 1 1 120 120 SER H H 1 8.092 0.030 . 1 . . . . 120 SER H . 26940 1 665 . 1 1 120 120 SER HA H 1 4.250 0.030 . 1 . . . . 120 SER HA . 26940 1 666 . 1 1 120 120 SER HB3 H 1 3.687 0.030 . 2 . . . . 120 SER HB3 . 26940 1 667 . 1 1 120 120 SER C C 13 175.035 0.300 . 1 . . . . 120 SER C . 26940 1 668 . 1 1 120 120 SER CA C 13 58.461 0.300 . 1 . . . . 120 SER CA . 26940 1 669 . 1 1 120 120 SER CB C 13 63.768 0.300 . 1 . . . . 120 SER CB . 26940 1 670 . 1 1 120 120 SER N N 15 115.694 0.300 . 1 . . . . 120 SER N . 26940 1 671 . 1 1 121 121 GLY H H 1 8.285 0.030 . 1 . . . . 121 GLY H . 26940 1 672 . 1 1 121 121 GLY HA3 H 1 3.719 0.030 . 2 . . . . 121 GLY HA3 . 26940 1 673 . 1 1 121 121 GLY C C 13 173.742 0.300 . 1 . . . . 121 GLY C . 26940 1 674 . 1 1 121 121 GLY CA C 13 45.242 0.300 . 1 . . . . 121 GLY CA . 26940 1 675 . 1 1 121 121 GLY N N 15 111.128 0.300 . 1 . . . . 121 GLY N . 26940 1 676 . 1 1 122 122 ALA H H 1 7.764 0.030 . 1 . . . . 122 ALA H . 26940 1 677 . 1 1 122 122 ALA HA H 1 4.083 0.030 . 1 . . . . 122 ALA HA . 26940 1 678 . 1 1 122 122 ALA HB1 H 1 1.141 0.030 . 1 . . . . 122 ALA HB . 26940 1 679 . 1 1 122 122 ALA HB2 H 1 1.141 0.030 . 1 . . . . 122 ALA HB . 26940 1 680 . 1 1 122 122 ALA HB3 H 1 1.141 0.030 . 1 . . . . 122 ALA HB . 26940 1 681 . 1 1 122 122 ALA C C 13 177.425 0.300 . 1 . . . . 122 ALA C . 26940 1 682 . 1 1 122 122 ALA CA C 13 52.289 0.300 . 1 . . . . 122 ALA CA . 26940 1 683 . 1 1 122 122 ALA CB C 13 19.112 0.300 . 1 . . . . 122 ALA CB . 26940 1 684 . 1 1 122 122 ALA N N 15 123.150 0.300 . 1 . . . . 122 ALA N . 26940 1 685 . 1 1 123 123 LEU H H 1 7.935 0.030 . 1 . . . . 123 LEU H . 26940 1 686 . 1 1 123 123 LEU HA H 1 4.138 0.030 . 1 . . . . 123 LEU HA . 26940 1 687 . 1 1 123 123 LEU HB2 H 1 1.441 0.030 . 2 . . . . 123 LEU HB2 . 26940 1 688 . 1 1 123 123 LEU HB3 H 1 1.196 0.030 . 2 . . . . 123 LEU HB3 . 26940 1 689 . 1 1 123 123 LEU C C 13 176.505 0.300 . 1 . . . . 123 LEU C . 26940 1 690 . 1 1 123 123 LEU CA C 13 54.595 0.300 . 1 . . . . 123 LEU CA . 26940 1 691 . 1 1 123 123 LEU CB C 13 42.055 0.300 . 1 . . . . 123 LEU CB . 26940 1 692 . 1 1 123 123 LEU N N 15 120.620 0.300 . 1 . . . . 123 LEU N . 26940 1 693 . 1 1 124 124 GLN H H 1 7.836 0.030 . 1 . . . . 124 GLN H . 26940 1 694 . 1 1 124 124 GLN HA H 1 4.255 0.030 . 1 . . . . 124 GLN HA . 26940 1 695 . 1 1 124 124 GLN HB2 H 1 2.043 0.030 . 2 . . . . 124 GLN HB2 . 26940 1 696 . 1 1 124 124 GLN HB3 H 1 1.664 0.030 . 2 . . . . 124 GLN HB3 . 26940 1 697 . 1 1 124 124 GLN C C 13 175.484 0.300 . 1 . . . . 124 GLN C . 26940 1 698 . 1 1 124 124 GLN CA C 13 55.218 0.300 . 1 . . . . 124 GLN CA . 26940 1 699 . 1 1 124 124 GLN CB C 13 30.669 0.300 . 1 . . . . 124 GLN CB . 26940 1 700 . 1 1 124 124 GLN N N 15 119.550 0.300 . 1 . . . . 124 GLN N . 26940 1 701 . 1 1 125 125 ASP H H 1 8.057 0.030 . 1 . . . . 125 ASP H . 26940 1 702 . 1 1 125 125 ASP HA H 1 4.581 0.030 . 1 . . . . 125 ASP HA . 26940 1 703 . 1 1 125 125 ASP HB3 H 1 2.343 0.030 . 2 . . . . 125 ASP HB3 . 26940 1 704 . 1 1 125 125 ASP C C 13 175.590 0.300 . 1 . . . . 125 ASP C . 26940 1 705 . 1 1 125 125 ASP CA C 13 54.802 0.300 . 1 . . . . 125 ASP CA . 26940 1 706 . 1 1 125 125 ASP CB C 13 41.213 0.300 . 1 . . . . 125 ASP CB . 26940 1 707 . 1 1 125 125 ASP N N 15 122.985 0.300 . 1 . . . . 125 ASP N . 26940 1 708 . 1 1 126 126 VAL H H 1 8.338 0.030 . 1 . . . . 126 VAL H . 26940 1 709 . 1 1 126 126 VAL HA H 1 4.244 0.030 . 1 . . . . 126 VAL HA . 26940 1 710 . 1 1 126 126 VAL HB H 1 2.155 0.030 . 1 . . . . 126 VAL HB . 26940 1 711 . 1 1 126 126 VAL C C 13 174.787 0.300 . 1 . . . . 126 VAL C . 26940 1 712 . 1 1 126 126 VAL CA C 13 61.458 0.300 . 1 . . . . 126 VAL CA . 26940 1 713 . 1 1 126 126 VAL CB C 13 34.172 0.300 . 1 . . . . 126 VAL CB . 26940 1 714 . 1 1 126 126 VAL N N 15 119.972 0.300 . 1 . . . . 126 VAL N . 26940 1 715 . 1 1 127 127 ASP H H 1 8.637 0.030 . 1 . . . . 127 ASP H . 26940 1 716 . 1 1 127 127 ASP HA H 1 4.933 0.030 . 1 . . . . 127 ASP HA . 26940 1 717 . 1 1 127 127 ASP HB2 H 1 2.368 0.030 . 2 . . . . 127 ASP HB2 . 26940 1 718 . 1 1 127 127 ASP HB3 H 1 1.975 0.030 . 2 . . . . 127 ASP HB3 . 26940 1 719 . 1 1 127 127 ASP C C 13 174.273 0.300 . 1 . . . . 127 ASP C . 26940 1 720 . 1 1 127 127 ASP CA C 13 53.873 0.300 . 1 . . . . 127 ASP CA . 26940 1 721 . 1 1 127 127 ASP CB C 13 43.683 0.300 . 1 . . . . 127 ASP CB . 26940 1 722 . 1 1 127 127 ASP N N 15 128.070 0.300 . 1 . . . . 127 ASP N . 26940 1 723 . 1 1 128 128 HIS H H 1 8.424 0.030 . 1 . . . . 128 HIS H . 26940 1 724 . 1 1 128 128 HIS HA H 1 4.727 0.030 . 1 . . . . 128 HIS HA . 26940 1 725 . 1 1 128 128 HIS HB2 H 1 2.561 0.030 . 2 . . . . 128 HIS HB2 . 26940 1 726 . 1 1 128 128 HIS HB3 H 1 2.424 0.030 . 2 . . . . 128 HIS HB3 . 26940 1 727 . 1 1 128 128 HIS C C 13 174.484 0.300 . 1 . . . . 128 HIS C . 26940 1 728 . 1 1 128 128 HIS CA C 13 54.905 0.300 . 1 . . . . 128 HIS CA . 26940 1 729 . 1 1 128 128 HIS CB C 13 35.154 0.300 . 1 . . . . 128 HIS CB . 26940 1 730 . 1 1 128 128 HIS N N 15 119.296 0.300 . 1 . . . . 128 HIS N . 26940 1 731 . 1 1 129 129 TYR H H 1 9.377 0.030 . 1 . . . . 129 TYR H . 26940 1 732 . 1 1 129 129 TYR HA H 1 5.208 0.030 . 1 . . . . 129 TYR HA . 26940 1 733 . 1 1 129 129 TYR HB3 H 1 2.433 0.030 . 2 . . . . 129 TYR HB3 . 26940 1 734 . 1 1 129 129 TYR C C 13 175.586 0.300 . 1 . . . . 129 TYR C . 26940 1 735 . 1 1 129 129 TYR CA C 13 56.386 0.300 . 1 . . . . 129 TYR CA . 26940 1 736 . 1 1 129 129 TYR CB C 13 42.880 0.300 . 1 . . . . 129 TYR CB . 26940 1 737 . 1 1 129 129 TYR N N 15 120.756 0.300 . 1 . . . . 129 TYR N . 26940 1 738 . 1 1 130 130 CYS H H 1 8.838 0.030 . 1 . . . . 130 CYS H . 26940 1 739 . 1 1 130 130 CYS C C 13 176.609 0.300 . 1 . . . . 130 CYS C . 26940 1 740 . 1 1 130 130 CYS CA C 13 56.227 0.300 . 1 . . . . 130 CYS CA . 26940 1 741 . 1 1 130 130 CYS CB C 13 32.140 0.300 . 1 . . . . 130 CYS CB . 26940 1 742 . 1 1 130 130 CYS N N 15 123.685 0.300 . 1 . . . . 130 CYS N . 26940 1 743 . 1 1 131 131 PRO HA H 1 4.318 0.030 . 1 . . . . 131 PRO HA . 26940 1 744 . 1 1 131 131 PRO HB2 H 1 2.072 0.030 . 2 . . . . 131 PRO HB2 . 26940 1 745 . 1 1 131 131 PRO HB3 H 1 1.974 0.030 . 2 . . . . 131 PRO HB3 . 26940 1 746 . 1 1 131 131 PRO C C 13 176.306 0.300 . 1 . . . . 131 PRO C . 26940 1 747 . 1 1 131 131 PRO CA C 13 64.097 0.300 . 1 . . . . 131 PRO CA . 26940 1 748 . 1 1 131 131 PRO CB C 13 32.093 0.300 . 1 . . . . 131 PRO CB . 26940 1 749 . 1 1 131 131 PRO N N 15 140.055 0.300 . 1 . . . . 131 PRO N . 26940 1 750 . 1 1 132 132 ASN H H 1 9.414 0.030 . 1 . . . . 132 ASN H . 26940 1 751 . 1 1 132 132 ASN HA H 1 4.591 0.030 . 1 . . . . 132 ASN HA . 26940 1 752 . 1 1 132 132 ASN HB2 H 1 2.848 0.030 . 2 . . . . 132 ASN HB2 . 26940 1 753 . 1 1 132 132 ASN HB3 H 1 2.489 0.030 . 2 . . . . 132 ASN HB3 . 26940 1 754 . 1 1 132 132 ASN C C 13 175.311 0.300 . 1 . . . . 132 ASN C . 26940 1 755 . 1 1 132 132 ASN CA C 13 55.858 0.300 . 1 . . . . 132 ASN CA . 26940 1 756 . 1 1 132 132 ASN CB C 13 40.373 0.300 . 1 . . . . 132 ASN CB . 26940 1 757 . 1 1 132 132 ASN N N 15 122.386 0.300 . 1 . . . . 132 ASN N . 26940 1 758 . 1 1 133 133 CYS H H 1 9.234 0.030 . 1 . . . . 133 CYS H . 26940 1 759 . 1 1 133 133 CYS HA H 1 4.754 0.030 . 1 . . . . 133 CYS HA . 26940 1 760 . 1 1 133 133 CYS HB2 H 1 3.125 0.030 . 2 . . . . 133 CYS HB2 . 26940 1 761 . 1 1 133 133 CYS HB3 H 1 2.261 0.030 . 2 . . . . 133 CYS HB3 . 26940 1 762 . 1 1 133 133 CYS C C 13 176.085 0.300 . 1 . . . . 133 CYS C . 26940 1 763 . 1 1 133 133 CYS CA C 13 58.611 0.300 . 1 . . . . 133 CYS CA . 26940 1 764 . 1 1 133 133 CYS CB C 13 32.594 0.300 . 1 . . . . 133 CYS CB . 26940 1 765 . 1 1 133 133 CYS N N 15 121.142 0.300 . 1 . . . . 133 CYS N . 26940 1 766 . 1 1 134 134 ARG H H 1 7.624 0.030 . 1 . . . . 134 ARG H . 26940 1 767 . 1 1 134 134 ARG HA H 1 4.085 0.030 . 1 . . . . 134 ARG HA . 26940 1 768 . 1 1 134 134 ARG HB3 H 1 1.941 0.030 . 2 . . . . 134 ARG HB3 . 26940 1 769 . 1 1 134 134 ARG C C 13 174.599 0.300 . 1 . . . . 134 ARG C . 26940 1 770 . 1 1 134 134 ARG CA C 13 57.480 0.300 . 1 . . . . 134 ARG CA . 26940 1 771 . 1 1 134 134 ARG CB C 13 25.931 0.300 . 1 . . . . 134 ARG CB . 26940 1 772 . 1 1 134 134 ARG N N 15 116.917 0.300 . 1 . . . . 134 ARG N . 26940 1 773 . 1 1 135 135 ALA H H 1 8.341 0.030 . 1 . . . . 135 ALA H . 26940 1 774 . 1 1 135 135 ALA HA H 1 4.055 0.030 . 1 . . . . 135 ALA HA . 26940 1 775 . 1 1 135 135 ALA HB1 H 1 1.158 0.030 . 1 . . . . 135 ALA HB . 26940 1 776 . 1 1 135 135 ALA HB2 H 1 1.158 0.030 . 1 . . . . 135 ALA HB . 26940 1 777 . 1 1 135 135 ALA HB3 H 1 1.158 0.030 . 1 . . . . 135 ALA HB . 26940 1 778 . 1 1 135 135 ALA C C 13 177.244 0.300 . 1 . . . . 135 ALA C . 26940 1 779 . 1 1 135 135 ALA CA C 13 53.430 0.300 . 1 . . . . 135 ALA CA . 26940 1 780 . 1 1 135 135 ALA CB C 13 19.515 0.300 . 1 . . . . 135 ALA CB . 26940 1 781 . 1 1 135 135 ALA N N 15 123.438 0.300 . 1 . . . . 135 ALA N . 26940 1 782 . 1 1 136 136 LEU H H 1 8.180 0.030 . 1 . . . . 136 LEU H . 26940 1 783 . 1 1 136 136 LEU HA H 1 3.737 0.030 . 1 . . . . 136 LEU HA . 26940 1 784 . 1 1 136 136 LEU C C 13 176.555 0.300 . 1 . . . . 136 LEU C . 26940 1 785 . 1 1 136 136 LEU CA C 13 55.144 0.300 . 1 . . . . 136 LEU CA . 26940 1 786 . 1 1 136 136 LEU CB C 13 41.004 0.300 . 1 . . . . 136 LEU CB . 26940 1 787 . 1 1 136 136 LEU N N 15 122.378 0.300 . 1 . . . . 136 LEU N . 26940 1 788 . 1 1 137 137 LEU H H 1 9.106 0.030 . 1 . . . . 137 LEU H . 26940 1 789 . 1 1 137 137 LEU C C 13 176.341 0.300 . 1 . . . . 137 LEU C . 26940 1 790 . 1 1 137 137 LEU CA C 13 55.027 0.300 . 1 . . . . 137 LEU CA . 26940 1 791 . 1 1 137 137 LEU CB C 13 42.567 0.300 . 1 . . . . 137 LEU CB . 26940 1 792 . 1 1 137 137 LEU N N 15 130.040 0.300 . 1 . . . . 137 LEU N . 26940 1 793 . 1 1 138 138 GLY H H 1 6.645 0.030 . 1 . . . . 138 GLY H . 26940 1 794 . 1 1 138 138 GLY HA2 H 1 3.202 0.030 . 2 . . . . 138 GLY HA2 . 26940 1 795 . 1 1 138 138 GLY HA3 H 1 2.210 0.030 . 2 . . . . 138 GLY HA3 . 26940 1 796 . 1 1 138 138 GLY C C 13 182.776 0.300 . 1 . . . . 138 GLY C . 26940 1 797 . 1 1 138 138 GLY CA C 13 43.889 0.300 . 1 . . . . 138 GLY CA . 26940 1 798 . 1 1 138 138 GLY N N 15 103.282 0.300 . 1 . . . . 138 GLY N . 26940 1 799 . 1 1 139 139 THR H H 1 7.708 0.030 . 1 . . . . 139 THR H . 26940 1 800 . 1 1 139 139 THR HA H 1 4.997 0.030 . 1 . . . . 139 THR HA . 26940 1 801 . 1 1 139 139 THR HB H 1 3.331 0.030 . 1 . . . . 139 THR HB . 26940 1 802 . 1 1 139 139 THR C C 13 172.589 0.300 . 1 . . . . 139 THR C . 26940 1 803 . 1 1 139 139 THR CA C 13 61.680 0.300 . 1 . . . . 139 THR CA . 26940 1 804 . 1 1 139 139 THR CB C 13 73.238 0.300 . 1 . . . . 139 THR CB . 26940 1 805 . 1 1 139 139 THR N N 15 113.684 0.300 . 1 . . . . 139 THR N . 26940 1 806 . 1 1 140 140 TYR H H 1 9.438 0.030 . 1 . . . . 140 TYR H . 26940 1 807 . 1 1 140 140 TYR HA H 1 4.821 0.030 . 1 . . . . 140 TYR HA . 26940 1 808 . 1 1 140 140 TYR HB3 H 1 2.860 0.030 . 2 . . . . 140 TYR HB3 . 26940 1 809 . 1 1 140 140 TYR C C 13 173.206 0.300 . 1 . . . . 140 TYR C . 26940 1 810 . 1 1 140 140 TYR CA C 13 54.281 0.300 . 1 . . . . 140 TYR CA . 26940 1 811 . 1 1 140 140 TYR CB C 13 38.919 0.300 . 1 . . . . 140 TYR CB . 26940 1 812 . 1 1 140 140 TYR N N 15 128.511 0.300 . 1 . . . . 140 TYR N . 26940 1 813 . 1 1 141 141 LYS H H 1 8.185 0.030 . 1 . . . . 141 LYS H . 26940 1 814 . 1 1 141 141 LYS HA H 1 4.127 0.030 . 1 . . . . 141 LYS HA . 26940 1 815 . 1 1 141 141 LYS HB2 H 1 1.506 0.030 . 2 . . . . 141 LYS HB2 . 26940 1 816 . 1 1 141 141 LYS HB3 H 1 1.373 0.030 . 2 . . . . 141 LYS HB3 . 26940 1 817 . 1 1 141 141 LYS C C 13 175.043 0.300 . 1 . . . . 141 LYS C . 26940 1 818 . 1 1 141 141 LYS CA C 13 54.322 0.300 . 1 . . . . 141 LYS CA . 26940 1 819 . 1 1 141 141 LYS CB C 13 32.322 0.300 . 1 . . . . 141 LYS CB . 26940 1 820 . 1 1 141 141 LYS N N 15 129.327 0.300 . 1 . . . . 141 LYS N . 26940 1 821 . 1 1 142 142 ARG H H 1 8.208 0.030 . 1 . . . . 142 ARG H . 26940 1 822 . 1 1 142 142 ARG HA H 1 3.725 0.030 . 1 . . . . 142 ARG HA . 26940 1 823 . 1 1 142 142 ARG HB2 H 1 1.294 0.030 . 2 . . . . 142 ARG HB2 . 26940 1 824 . 1 1 142 142 ARG HB3 H 1 1.440 0.030 . 2 . . . . 142 ARG HB3 . 26940 1 825 . 1 1 142 142 ARG C C 13 175.040 0.300 . 1 . . . . 142 ARG C . 26940 1 826 . 1 1 142 142 ARG CA C 13 56.277 0.300 . 1 . . . . 142 ARG CA . 26940 1 827 . 1 1 142 142 ARG CB C 13 30.532 0.300 . 1 . . . . 142 ARG CB . 26940 1 828 . 1 1 142 142 ARG N N 15 124.611 0.300 . 1 . . . . 142 ARG N . 26940 1 829 . 1 1 143 143 LEU H H 1 7.644 0.030 . 1 . . . . 143 LEU H . 26940 1 830 . 1 1 143 143 LEU C C 13 182.251 0.300 . 1 . . . . 143 LEU C . 26940 1 831 . 1 1 143 143 LEU CA C 13 56.158 0.300 . 1 . . . . 143 LEU CA . 26940 1 832 . 1 1 143 143 LEU CB C 13 43.473 0.300 . 1 . . . . 143 LEU CB . 26940 1 833 . 1 1 143 143 LEU N N 15 128.813 0.300 . 1 . . . . 143 LEU N . 26940 1 stop_ save_