data_6990 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6990 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Investigation of cerato-platanin, a phytotoxic toxin' 'Structure analysis' 'The data from the entries that make up this study were used to determine the structure of cerato-platanin protein' 6990 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6990 1 . phytotoxin 6990 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6990 _Entry.Title ; 1H, 15N and 13C resonance assignments of the cerato-platanin, a phytotoxic protein from Ceratocystis fimbriata ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-15 _Entry.Accession_date 2006-02-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Aline Oliveira . L. . 6990 2 Luigia Pazzagli . . . 6990 3 Gianni Cappugi . . . 6990 4 Celso Benedetti . E. . 6990 5 Alberto Spisni . . . 6990 6 Thelma Pertinhez . A. . 6990 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6990 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 534 6990 '15N chemical shifts' 136 6990 '1H chemical shifts' 838 6990 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 3 . . 2009-09-28 2006-02-15 update author 'update chemical shifts' 6990 2 . . 2007-02-08 2006-02-15 update BMRB 'complete entry citation' 6990 1 . . 2006-08-07 2006-02-15 original author 'original release' 6990 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6990 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10455173 _Citation.Full_citation . _Citation.Title ; Purification, Characterization and Amino Acid Sequence of Cerato-platanin, a New Phytotoxic Protein from Ceratocystis fimbriata f. sp. platani. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 274 _Citation.Journal_issue . _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 24959 _Citation.Page_last 24964 _Citation.Year 1999 _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.Entry_ID _Citation_author.Citation_ID 1 Luigia Pazzagli . . . 6990 1 2 Gianni Cappugi . . . 6990 1 3 Giampaolo Manao . . . 6990 1 4 Guido Camici . . . 6990 1 5 Alberto Santini . . . 6990 1 6 Aniello Scala . . . 6990 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 6990 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16819587 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C Resonance Assignments of Cerato-platanin, a Phytotoxic Protein from Ceratocystis fimbriata. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 50 _Citation.Page_last 50 _Citation.Year 2006 _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.Entry_ID _Citation_author.Citation_ID 1 A. Oliveira . L. . 6990 2 2 L. Pazzagli . . . 6990 2 3 B. Pantera . . . 6990 2 4 G. Cappugi . . . 6990 2 5 C. Benedetti . E. . 6990 2 6 A. Spisni . . . 6990 2 7 T. Pertinhez . A. . 6990 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6990 _Assembly.ID 1 _Assembly.Name Cerato-platanin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 13427 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6990 1 stop_ 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 Cerato-platanin 1 $CP . . yes recombinant no no . phytotoxin . 6990 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 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . 6990 1 2 disulfide single . 1 . 1 CYS 69 69 SG . 1 . 1 CYS 124 124 SG . . . . . . . . . . 6990 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CP _Entity.Sf_category entity _Entity.Sf_framecode CP _Entity.Entry_ID 6990 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cerato-platanin _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 ; EEGVSLEKRVSISYDPIYAA DLSMGSVACSNGDHGLMAQY PTLGEVPGFPNVGGIPDIAG WDSPSCGTCWKVTIPNGNSI FIRGVDSGRGGFNVNPTAFT KLVGSTEAGRVDNVNYVQVD LSNCINGAN ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID phytotoxin 6990 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CP . 6990 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -9 GLU . 6990 1 2 -8 GLU . 6990 1 3 -7 GLY . 6990 1 4 -6 VAL . 6990 1 5 -5 SER . 6990 1 6 -4 LEU . 6990 1 7 -3 GLU . 6990 1 8 -2 LYS . 6990 1 9 -1 ARG . 6990 1 10 1 VAL . 6990 1 11 2 SER . 6990 1 12 3 ILE . 6990 1 13 4 SER . 6990 1 14 5 TYR . 6990 1 15 6 ASP . 6990 1 16 7 PRO . 6990 1 17 8 ILE . 6990 1 18 9 TYR . 6990 1 19 10 ALA . 6990 1 20 11 ALA . 6990 1 21 12 ASP . 6990 1 22 13 LEU . 6990 1 23 14 SER . 6990 1 24 15 MET . 6990 1 25 16 GLY . 6990 1 26 17 SER . 6990 1 27 18 VAL . 6990 1 28 19 ALA . 6990 1 29 20 CYS . 6990 1 30 21 SER . 6990 1 31 22 ASN . 6990 1 32 23 GLY . 6990 1 33 24 ASP . 6990 1 34 25 HIS . 6990 1 35 26 GLY . 6990 1 36 27 LEU . 6990 1 37 28 MET . 6990 1 38 29 ALA . 6990 1 39 30 GLN . 6990 1 40 31 TYR . 6990 1 41 32 PRO . 6990 1 42 33 THR . 6990 1 43 34 LEU . 6990 1 44 35 GLY . 6990 1 45 36 GLU . 6990 1 46 37 VAL . 6990 1 47 38 PRO . 6990 1 48 39 GLY . 6990 1 49 40 PHE . 6990 1 50 41 PRO . 6990 1 51 42 ASN . 6990 1 52 43 VAL . 6990 1 53 44 GLY . 6990 1 54 45 GLY . 6990 1 55 46 ILE . 6990 1 56 47 PRO . 6990 1 57 48 ASP . 6990 1 58 49 ILE . 6990 1 59 50 ALA . 6990 1 60 51 GLY . 6990 1 61 52 TRP . 6990 1 62 53 ASP . 6990 1 63 54 SER . 6990 1 64 55 PRO . 6990 1 65 56 SER . 6990 1 66 57 CYS . 6990 1 67 58 GLY . 6990 1 68 59 THR . 6990 1 69 60 CYS . 6990 1 70 61 TRP . 6990 1 71 62 LYS . 6990 1 72 63 VAL . 6990 1 73 64 THR . 6990 1 74 65 ILE . 6990 1 75 66 PRO . 6990 1 76 67 ASN . 6990 1 77 68 GLY . 6990 1 78 69 ASN . 6990 1 79 70 SER . 6990 1 80 71 ILE . 6990 1 81 72 PHE . 6990 1 82 73 ILE . 6990 1 83 74 ARG . 6990 1 84 75 GLY . 6990 1 85 76 VAL . 6990 1 86 77 ASP . 6990 1 87 78 SER . 6990 1 88 79 GLY . 6990 1 89 80 ARG . 6990 1 90 81 GLY . 6990 1 91 82 GLY . 6990 1 92 83 PHE . 6990 1 93 84 ASN . 6990 1 94 85 VAL . 6990 1 95 86 ASN . 6990 1 96 87 PRO . 6990 1 97 88 THR . 6990 1 98 89 ALA . 6990 1 99 90 PHE . 6990 1 100 91 THR . 6990 1 101 92 LYS . 6990 1 102 93 LEU . 6990 1 103 94 VAL . 6990 1 104 95 GLY . 6990 1 105 96 SER . 6990 1 106 97 THR . 6990 1 107 98 GLU . 6990 1 108 99 ALA . 6990 1 109 100 GLY . 6990 1 110 101 ARG . 6990 1 111 102 VAL . 6990 1 112 103 ASP . 6990 1 113 104 ASN . 6990 1 114 105 VAL . 6990 1 115 106 ASN . 6990 1 116 107 TYR . 6990 1 117 108 VAL . 6990 1 118 109 GLN . 6990 1 119 110 VAL . 6990 1 120 111 ASP . 6990 1 121 112 LEU . 6990 1 122 113 SER . 6990 1 123 114 ASN . 6990 1 124 115 CYS . 6990 1 125 116 ILE . 6990 1 126 117 ASN . 6990 1 127 118 GLY . 6990 1 128 119 ALA . 6990 1 129 120 ASN . 6990 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 . GLU 1 1 6990 1 . GLU 2 2 6990 1 . GLY 3 3 6990 1 . VAL 4 4 6990 1 . SER 5 5 6990 1 . LEU 6 6 6990 1 . GLU 7 7 6990 1 . LYS 8 8 6990 1 . ARG 9 9 6990 1 . VAL 10 10 6990 1 . SER 11 11 6990 1 . ILE 12 12 6990 1 . SER 13 13 6990 1 . TYR 14 14 6990 1 . ASP 15 15 6990 1 . PRO 16 16 6990 1 . ILE 17 17 6990 1 . TYR 18 18 6990 1 . ALA 19 19 6990 1 . ALA 20 20 6990 1 . ASP 21 21 6990 1 . LEU 22 22 6990 1 . SER 23 23 6990 1 . MET 24 24 6990 1 . GLY 25 25 6990 1 . SER 26 26 6990 1 . VAL 27 27 6990 1 . ALA 28 28 6990 1 . CYS 29 29 6990 1 . SER 30 30 6990 1 . ASN 31 31 6990 1 . GLY 32 32 6990 1 . ASP 33 33 6990 1 . HIS 34 34 6990 1 . GLY 35 35 6990 1 . LEU 36 36 6990 1 . MET 37 37 6990 1 . ALA 38 38 6990 1 . GLN 39 39 6990 1 . TYR 40 40 6990 1 . PRO 41 41 6990 1 . THR 42 42 6990 1 . LEU 43 43 6990 1 . GLY 44 44 6990 1 . GLU 45 45 6990 1 . VAL 46 46 6990 1 . PRO 47 47 6990 1 . GLY 48 48 6990 1 . PHE 49 49 6990 1 . PRO 50 50 6990 1 . ASN 51 51 6990 1 . VAL 52 52 6990 1 . GLY 53 53 6990 1 . GLY 54 54 6990 1 . ILE 55 55 6990 1 . PRO 56 56 6990 1 . ASP 57 57 6990 1 . ILE 58 58 6990 1 . ALA 59 59 6990 1 . GLY 60 60 6990 1 . TRP 61 61 6990 1 . ASP 62 62 6990 1 . SER 63 63 6990 1 . PRO 64 64 6990 1 . SER 65 65 6990 1 . CYS 66 66 6990 1 . GLY 67 67 6990 1 . THR 68 68 6990 1 . CYS 69 69 6990 1 . TRP 70 70 6990 1 . LYS 71 71 6990 1 . VAL 72 72 6990 1 . THR 73 73 6990 1 . ILE 74 74 6990 1 . PRO 75 75 6990 1 . ASN 76 76 6990 1 . GLY 77 77 6990 1 . ASN 78 78 6990 1 . SER 79 79 6990 1 . ILE 80 80 6990 1 . PHE 81 81 6990 1 . ILE 82 82 6990 1 . ARG 83 83 6990 1 . GLY 84 84 6990 1 . VAL 85 85 6990 1 . ASP 86 86 6990 1 . SER 87 87 6990 1 . GLY 88 88 6990 1 . ARG 89 89 6990 1 . GLY 90 90 6990 1 . GLY 91 91 6990 1 . PHE 92 92 6990 1 . ASN 93 93 6990 1 . VAL 94 94 6990 1 . ASN 95 95 6990 1 . PRO 96 96 6990 1 . THR 97 97 6990 1 . ALA 98 98 6990 1 . PHE 99 99 6990 1 . THR 100 100 6990 1 . LYS 101 101 6990 1 . LEU 102 102 6990 1 . VAL 103 103 6990 1 . GLY 104 104 6990 1 . SER 105 105 6990 1 . THR 106 106 6990 1 . GLU 107 107 6990 1 . ALA 108 108 6990 1 . GLY 109 109 6990 1 . ARG 110 110 6990 1 . VAL 111 111 6990 1 . ASP 112 112 6990 1 . ASN 113 113 6990 1 . VAL 114 114 6990 1 . ASN 115 115 6990 1 . TYR 116 116 6990 1 . VAL 117 117 6990 1 . GLN 118 118 6990 1 . VAL 119 119 6990 1 . ASP 120 120 6990 1 . LEU 121 121 6990 1 . SER 122 122 6990 1 . ASN 123 123 6990 1 . CYS 124 124 6990 1 . ILE 125 125 6990 1 . ASN 126 126 6990 1 . GLY 127 127 6990 1 . ALA 128 128 6990 1 . ASN 129 129 6990 1 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 6990 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CP . 88771 organism . 'Ceratocystis fimbriata' 'Ceratocystis fimbriata' . . Eukaryota Fungi Ceratocystis fimbriata . . . . . . . . . . . . . . . . . . . . . 6990 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 6990 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CP . 'recombinant technology' . 'Pichia pastoris' . 4922 Pichia pastoris GS115 . . . . . . . . . . . . . . . . . . . . . . 6990 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6990 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM phosphate buffer pH 5.8, 0.05% NaN3' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Cerato-platanin '[U-13C; U-15N]' . . 1 $CP . protein 0.7 0.65 0.75 mM 0.05 . . . 6990 1 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6990 1 3 NaN3 . . . . . . . 0.05 . . % . . . . 6990 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6990 _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 pH 5.8 0.2 pH 6990 1 temperature 293 0.2 K 6990 1 stop_ save_ ############################ # Computer software used # ############################ save_Protein_Pack _Software.Sf_category software _Software.Sf_framecode Protein_Pack _Software.Entry_ID 6990 _Software.ID 1 _Software.Name 'Protein Pack' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 6990 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6990 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6990 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6990 _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 15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 3 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 5 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 6 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 7 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 8 13C-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 9 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 10 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6990 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6990 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6990 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6990 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6990 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6990 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 15N-HSQC 1 $sample_1 isotropic 6990 1 2 HNCA 1 $sample_1 isotropic 6990 1 3 HN(CO)CA 1 $sample_1 isotropic 6990 1 4 HNCO 1 $sample_1 isotropic 6990 1 5 CBCACONH 1 $sample_1 isotropic 6990 1 6 HNCACB 1 $sample_1 isotropic 6990 1 7 HNHA 1 $sample_1 isotropic 6990 1 8 13C-HSQC 1 $sample_1 isotropic 6990 1 9 HCCH-TOCSY 1 $sample_1 isotropic 6990 1 10 HCCH-COSY 1 $sample_1 isotropic 6990 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 GLU HA H 1 3.727 0.02 . 1 . . . . -9 GLU HA . 6990 1 2 . 1 1 1 1 GLU HB2 H 1 1.985 0.02 . 2 . . . . -9 GLU HB1 . 6990 1 3 . 1 1 1 1 GLU HB3 H 1 1.985 0.02 . 2 . . . . -9 GLU HB2 . 6990 1 4 . 1 1 1 1 GLU HG2 H 1 2.310 0.02 . 2 . . . . -9 GLU HG1 . 6990 1 5 . 1 1 1 1 GLU HG3 H 1 2.310 0.02 . 2 . . . . -9 GLU HG2 . 6990 1 6 . 1 1 1 1 GLU C C 13 172.828 0.2 . 1 . . . . -9 GLU C . 6990 1 7 . 1 1 1 1 GLU CA C 13 55.700 0.2 . 1 . . . . -9 GLU CA . 6990 1 8 . 1 1 1 1 GLU CB C 13 32.325 0.2 . 1 . . . . -9 GLU CB . 6990 1 9 . 1 1 1 1 GLU CG C 13 36.019 0.2 . 1 . . . . -9 GLU CG . 6990 1 10 . 1 1 2 2 GLU H H 1 8.959 0.02 . 1 . . . . -8 GLU HN . 6990 1 11 . 1 1 2 2 GLU HA H 1 4.386 0.02 . 1 . . . . -8 GLU HA . 6990 1 12 . 1 1 2 2 GLU HB2 H 1 2.104 0.02 . 2 . . . . -8 GLU HB1 . 6990 1 13 . 1 1 2 2 GLU HB3 H 1 2.003 0.02 . 2 . . . . -8 GLU HB2 . 6990 1 14 . 1 1 2 2 GLU HG2 H 1 2.324 0.02 . 2 . . . . -8 GLU HG1 . 6990 1 15 . 1 1 2 2 GLU HG3 H 1 2.324 0.02 . 2 . . . . -8 GLU HG2 . 6990 1 16 . 1 1 2 2 GLU C C 13 176.869 0.2 . 1 . . . . -8 GLU C . 6990 1 17 . 1 1 2 2 GLU CA C 13 56.244 0.2 . 1 . . . . -8 GLU CA . 6990 1 18 . 1 1 2 2 GLU CB C 13 30.461 0.2 . 1 . . . . -8 GLU CB . 6990 1 19 . 1 1 2 2 GLU CG C 13 36.091 0.2 . 1 . . . . -8 GLU CG . 6990 1 20 . 1 1 2 2 GLU N N 15 125.316 0.1 . 1 . . . . -8 GLU N . 6990 1 21 . 1 1 3 3 GLY H H 1 8.679 0.02 . 1 . . . . -7 GLY HN . 6990 1 22 . 1 1 3 3 GLY HA2 H 1 4.016 0.02 . 2 . . . . -7 GLY HA1 . 6990 1 23 . 1 1 3 3 GLY HA3 H 1 4.016 0.02 . 2 . . . . -7 GLY HA2 . 6990 1 24 . 1 1 3 3 GLY C C 13 174.188 0.2 . 1 . . . . -7 GLY C . 6990 1 25 . 1 1 3 3 GLY CA C 13 45.223 0.2 . 1 . . . . -7 GLY CA . 6990 1 26 . 1 1 3 3 GLY N N 15 112.504 0.1 . 1 . . . . -7 GLY N . 6990 1 27 . 1 1 4 4 VAL H H 1 8.090 0.02 . 1 . . . . -6 VAL HN . 6990 1 28 . 1 1 4 4 VAL HA H 1 4.217 0.02 . 1 . . . . -6 VAL HA . 6990 1 29 . 1 1 4 4 VAL HB H 1 2.122 0.02 . 1 . . . . -6 VAL HB . 6990 1 30 . 1 1 4 4 VAL HG11 H 1 1.030 0.02 . 2 . . . . -6 VAL HG11 . 6990 1 31 . 1 1 4 4 VAL HG12 H 1 1.030 0.02 . 2 . . . . -6 VAL HG11 . 6990 1 32 . 1 1 4 4 VAL HG13 H 1 1.030 0.02 . 2 . . . . -6 VAL HG11 . 6990 1 33 . 1 1 4 4 VAL HG21 H 1 0.967 0.02 . 2 . . . . -6 VAL HG21 . 6990 1 34 . 1 1 4 4 VAL HG22 H 1 0.967 0.02 . 2 . . . . -6 VAL HG21 . 6990 1 35 . 1 1 4 4 VAL HG23 H 1 0.967 0.02 . 2 . . . . -6 VAL HG21 . 6990 1 36 . 1 1 4 4 VAL C C 13 176.445 0.2 . 1 . . . . -6 VAL C . 6990 1 37 . 1 1 4 4 VAL CA C 13 61.641 0.2 . 1 . . . . -6 VAL CA . 6990 1 38 . 1 1 4 4 VAL CB C 13 33.056 0.2 . 1 . . . . -6 VAL CB . 6990 1 39 . 1 1 4 4 VAL CG1 C 13 22.700 0.2 . 1 . . . . -6 VAL CG1 . 6990 1 40 . 1 1 4 4 VAL CG2 C 13 20.518 0.2 . 1 . . . . -6 VAL CG2 . 6990 1 41 . 1 1 4 4 VAL N N 15 121.116 0.1 . 1 . . . . -6 VAL N . 6990 1 42 . 1 1 5 5 SER H H 1 8.559 0.02 . 1 . . . . -5 SER HN . 6990 1 43 . 1 1 5 5 SER HA H 1 4.508 0.02 . 1 . . . . -5 SER HA . 6990 1 44 . 1 1 5 5 SER HB2 H 1 4.214 0.02 . 2 . . . . -5 SER HB1 . 6990 1 45 . 1 1 5 5 SER HB3 H 1 3.921 0.02 . 2 . . . . -5 SER HB2 . 6990 1 46 . 1 1 5 5 SER C C 13 174.758 0.2 . 1 . . . . -5 SER C . 6990 1 47 . 1 1 5 5 SER CA C 13 58.867 0.2 . 1 . . . . -5 SER CA . 6990 1 48 . 1 1 5 5 SER CB C 13 63.607 0.2 . 1 . . . . -5 SER CB . 6990 1 49 . 1 1 5 5 SER N N 15 121.843 0.1 . 1 . . . . -5 SER N . 6990 1 50 . 1 1 6 6 LEU H H 1 8.501 0.02 . 1 . . . . -4 LEU HN . 6990 1 51 . 1 1 6 6 LEU HA H 1 4.370 0.02 . 1 . . . . -4 LEU HA . 6990 1 52 . 1 1 6 6 LEU HB2 H 1 1.651 0.02 . 2 . . . . -4 LEU HB1 . 6990 1 53 . 1 1 6 6 LEU HB3 H 1 1.651 0.02 . 2 . . . . -4 LEU HB2 . 6990 1 54 . 1 1 6 6 LEU HD11 H 1 0.940 0.02 . 2 . . . . -4 LEU HD11 . 6990 1 55 . 1 1 6 6 LEU HD12 H 1 0.940 0.02 . 2 . . . . -4 LEU HD11 . 6990 1 56 . 1 1 6 6 LEU HD13 H 1 0.940 0.02 . 2 . . . . -4 LEU HD11 . 6990 1 57 . 1 1 6 6 LEU HD21 H 1 0.940 0.02 . 2 . . . . -4 LEU HD21 . 6990 1 58 . 1 1 6 6 LEU HD22 H 1 0.940 0.02 . 2 . . . . -4 LEU HD21 . 6990 1 59 . 1 1 6 6 LEU HD23 H 1 0.940 0.02 . 2 . . . . -4 LEU HD21 . 6990 1 60 . 1 1 6 6 LEU HG H 1 1.654 0.02 . 1 . . . . -4 LEU HG . 6990 1 61 . 1 1 6 6 LEU C C 13 177.622 0.2 . 1 . . . . -4 LEU C . 6990 1 62 . 1 1 6 6 LEU CA C 13 55.208 0.2 . 1 . . . . -4 LEU CA . 6990 1 63 . 1 1 6 6 LEU CB C 13 42.264 0.2 . 1 . . . . -4 LEU CB . 6990 1 64 . 1 1 6 6 LEU CD1 C 13 24.942 0.2 . 1 . . . . -4 LEU CD1 . 6990 1 65 . 1 1 6 6 LEU CD2 C 13 24.942 0.2 . 1 . . . . -4 LEU CD2 . 6990 1 66 . 1 1 6 6 LEU CG C 13 27.054 0.2 . 1 . . . . -4 LEU CG . 6990 1 67 . 1 1 6 6 LEU N N 15 126.730 0.1 . 1 . . . . -4 LEU N . 6990 1 68 . 1 1 7 7 GLU H H 1 8.425 0.02 . 1 . . . . -3 GLU HN . 6990 1 69 . 1 1 7 7 GLU HA H 1 4.293 0.02 . 1 . . . . -3 GLU HA . 6990 1 70 . 1 1 7 7 GLU HB2 H 1 2.050 0.02 . 2 . . . . -3 GLU HB1 . 6990 1 71 . 1 1 7 7 GLU HB3 H 1 2.003 0.02 . 2 . . . . -3 GLU HB2 . 6990 1 72 . 1 1 7 7 GLU HG2 H 1 2.252 0.02 . 2 . . . . -3 GLU HG2 . 6990 1 73 . 1 1 7 7 GLU C C 13 176.404 0.2 . 1 . . . . -3 GLU C . 6990 1 74 . 1 1 7 7 GLU CA C 13 56.408 0.2 . 1 . . . . -3 GLU CA . 6990 1 75 . 1 1 7 7 GLU CB C 13 30.023 0.2 . 1 . . . . -3 GLU CB . 6990 1 76 . 1 1 7 7 GLU CG C 13 36.036 0.2 . 1 . . . . -3 GLU CG . 6990 1 77 . 1 1 7 7 GLU N N 15 122.861 0.1 . 1 . . . . -3 GLU N . 6990 1 78 . 1 1 8 8 LYS H H 1 8.381 0.02 . 1 . . . . -2 LYS HN . 6990 1 79 . 1 1 8 8 LYS HA H 1 4.400 0.02 . 1 . . . . -2 LYS HA . 6990 1 80 . 1 1 8 8 LYS HB2 H 1 1.905 0.02 . 2 . . . . -2 LYS HB1 . 6990 1 81 . 1 1 8 8 LYS HB3 H 1 1.777 0.02 . 2 . . . . -2 LYS HB2 . 6990 1 82 . 1 1 8 8 LYS HD2 H 1 1.837 0.02 . 2 . . . . -2 LYS HD1 . 6990 1 83 . 1 1 8 8 LYS HD3 H 1 1.837 0.02 . 2 . . . . -2 LYS HD2 . 6990 1 84 . 1 1 8 8 LYS HE2 H 1 3.036 0.02 . 2 . . . . -2 LYS HE1 . 6990 1 85 . 1 1 8 8 LYS HE3 H 1 3.036 0.02 . 2 . . . . -2 LYS HE2 . 6990 1 86 . 1 1 8 8 LYS HG2 H 1 1.493 0.02 . 2 . . . . -2 LYS HG1 . 6990 1 87 . 1 1 8 8 LYS HG3 H 1 1.493 0.02 . 2 . . . . -2 LYS HG2 . 6990 1 88 . 1 1 8 8 LYS C C 13 176.031 0.2 . 1 . . . . -2 LYS C . 6990 1 89 . 1 1 8 8 LYS CA C 13 55.943 0.2 . 1 . . . . -2 LYS CA . 6990 1 90 . 1 1 8 8 LYS CB C 13 32.946 0.2 . 1 . . . . -2 LYS CB . 6990 1 91 . 1 1 8 8 LYS CD C 13 32.946 0.2 . 1 . . . . -2 LYS CD . 6990 1 92 . 1 1 8 8 LYS CE C 13 41.844 0.2 . 1 . . . . -2 LYS CE . 6990 1 93 . 1 1 8 8 LYS CG C 13 24.514 0.2 . 1 . . . . -2 LYS CG . 6990 1 94 . 1 1 8 8 LYS N N 15 124.847 0.1 . 1 . . . . -2 LYS N . 6990 1 95 . 1 1 9 9 ARG H H 1 8.398 0.02 . 1 . . . . -1 ARG HN . 6990 1 96 . 1 1 9 9 ARG HA H 1 4.942 0.02 . 1 . . . . -1 ARG HA . 6990 1 97 . 1 1 9 9 ARG HB2 H 1 1.874 0.02 . 2 . . . . -1 ARG HB1 . 6990 1 98 . 1 1 9 9 ARG HB3 H 1 1.874 0.02 . 2 . . . . -1 ARG HB2 . 6990 1 99 . 1 1 9 9 ARG HD2 H 1 3.197 0.02 . 2 . . . . -1 ARG HD1 . 6990 1 100 . 1 1 9 9 ARG HD3 H 1 3.105 0.02 . 2 . . . . -1 ARG HD2 . 6990 1 101 . 1 1 9 9 ARG HG2 H 1 1.629 0.02 . 2 . . . . -1 ARG HG1 . 6990 1 102 . 1 1 9 9 ARG HG3 H 1 1.711 0.02 . 2 . . . . -1 ARG HG2 . 6990 1 103 . 1 1 9 9 ARG C C 13 176.383 0.2 . 1 . . . . -1 ARG C . 6990 1 104 . 1 1 9 9 ARG CA C 13 55.221 0.2 . 1 . . . . -1 ARG CA . 6990 1 105 . 1 1 9 9 ARG CB C 13 32.027 0.2 . 1 . . . . -1 ARG CB . 6990 1 106 . 1 1 9 9 ARG CD C 13 43.109 0.2 . 1 . . . . -1 ARG CD . 6990 1 107 . 1 1 9 9 ARG CG C 13 27.338 0.2 . 1 . . . . -1 ARG CG . 6990 1 108 . 1 1 9 9 ARG N N 15 124.558 0.1 . 1 . . . . -1 ARG N . 6990 1 109 . 1 1 10 10 VAL H H 1 8.738 0.02 . 1 . . . . 1 VAL HN . 6990 1 110 . 1 1 10 10 VAL HA H 1 4.745 0.02 . 1 . . . . 1 VAL HA . 6990 1 111 . 1 1 10 10 VAL HB H 1 2.426 0.02 . 1 . . . . 1 VAL HB . 6990 1 112 . 1 1 10 10 VAL HG11 H 1 0.933 0.02 . 2 . . . . 1 VAL HG11 . 6990 1 113 . 1 1 10 10 VAL HG12 H 1 0.933 0.02 . 2 . . . . 1 VAL HG11 . 6990 1 114 . 1 1 10 10 VAL HG13 H 1 0.933 0.02 . 2 . . . . 1 VAL HG11 . 6990 1 115 . 1 1 10 10 VAL HG21 H 1 0.940 0.02 . 2 . . . . 1 VAL HG21 . 6990 1 116 . 1 1 10 10 VAL HG22 H 1 0.940 0.02 . 2 . . . . 1 VAL HG21 . 6990 1 117 . 1 1 10 10 VAL HG23 H 1 0.940 0.02 . 2 . . . . 1 VAL HG21 . 6990 1 118 . 1 1 10 10 VAL C C 13 173.971 0.2 . 1 . . . . 1 VAL C . 6990 1 119 . 1 1 10 10 VAL CA C 13 60.580 0.2 . 1 . . . . 1 VAL CA . 6990 1 120 . 1 1 10 10 VAL CB C 13 35.111 0.2 . 1 . . . . 1 VAL CB . 6990 1 121 . 1 1 10 10 VAL CG1 C 13 22.413 0.2 . 1 . . . . 1 VAL CG1 . 6990 1 122 . 1 1 10 10 VAL CG2 C 13 20.430 0.2 . 1 . . . . 1 VAL CG2 . 6990 1 123 . 1 1 10 10 VAL N N 15 120.967 0.1 . 1 . . . . 1 VAL N . 6990 1 124 . 1 1 11 11 SER H H 1 8.399 0.02 . 1 . . . . 2 SER HN . 6990 1 125 . 1 1 11 11 SER HA H 1 5.554 0.02 . 1 . . . . 2 SER HA . 6990 1 126 . 1 1 11 11 SER HB2 H 1 3.773 0.02 . 2 . . . . 2 SER HB1 . 6990 1 127 . 1 1 11 11 SER HB3 H 1 3.971 0.02 . 2 . . . . 2 SER HB2 . 6990 1 128 . 1 1 11 11 SER C C 13 173.471 0.2 . 1 . . . . 2 SER C . 6990 1 129 . 1 1 11 11 SER CA C 13 57.153 0.2 . 1 . . . . 2 SER CA . 6990 1 130 . 1 1 11 11 SER CB C 13 65.886 0.2 . 1 . . . . 2 SER CB . 6990 1 131 . 1 1 11 11 SER N N 15 118.449 0.1 . 1 . . . . 2 SER N . 6990 1 132 . 1 1 12 12 ILE H H 1 9.195 0.02 . 1 . . . . 3 ILE HN . 6990 1 133 . 1 1 12 12 ILE HA H 1 5.726 0.02 . 1 . . . . 3 ILE HA . 6990 1 134 . 1 1 12 12 ILE HB H 1 1.424 0.02 . 1 . . . . 3 ILE HB . 6990 1 135 . 1 1 12 12 ILE HD11 H 1 0.611 0.02 . 1 . . . . 3 ILE HD11 . 6990 1 136 . 1 1 12 12 ILE HD12 H 1 0.611 0.02 . 1 . . . . 3 ILE HD11 . 6990 1 137 . 1 1 12 12 ILE HD13 H 1 0.611 0.02 . 1 . . . . 3 ILE HD11 . 6990 1 138 . 1 1 12 12 ILE HG12 H 1 1.194 0.02 . 1 . . . . 3 ILE HG11 . 6990 1 139 . 1 1 12 12 ILE HG13 H 1 1.867 0.02 . 1 . . . . 3 ILE HG12 . 6990 1 140 . 1 1 12 12 ILE HG21 H 1 0.982 0.02 . 1 . . . . 3 ILE HG21 . 6990 1 141 . 1 1 12 12 ILE HG22 H 1 0.982 0.02 . 1 . . . . 3 ILE HG21 . 6990 1 142 . 1 1 12 12 ILE HG23 H 1 0.982 0.02 . 1 . . . . 3 ILE HG21 . 6990 1 143 . 1 1 12 12 ILE C C 13 171.829 0.2 . 1 . . . . 3 ILE C . 6990 1 144 . 1 1 12 12 ILE CA C 13 58.429 0.2 . 1 . . . . 3 ILE CA . 6990 1 145 . 1 1 12 12 ILE CB C 13 42.364 0.2 . 1 . . . . 3 ILE CB . 6990 1 146 . 1 1 12 12 ILE CD1 C 13 14.763 0.2 . 1 . . . . 3 ILE CD1 . 6990 1 147 . 1 1 12 12 ILE CG1 C 13 30.249 0.2 . 1 . . . . 3 ILE CG1 . 6990 1 148 . 1 1 12 12 ILE CG2 C 13 16.450 0.2 . 1 . . . . 3 ILE CG2 . 6990 1 149 . 1 1 12 12 ILE N N 15 120.196 0.1 . 1 . . . . 3 ILE N . 6990 1 150 . 1 1 13 13 SER H H 1 8.659 0.02 . 1 . . . . 4 SER HN . 6990 1 151 . 1 1 13 13 SER HA H 1 5.000 0.02 . 1 . . . . 4 SER HA . 6990 1 152 . 1 1 13 13 SER HB2 H 1 3.713 0.02 . 2 . . . . 4 SER HB1 . 6990 1 153 . 1 1 13 13 SER HB3 H 1 3.888 0.02 . 2 . . . . 4 SER HB2 . 6990 1 154 . 1 1 13 13 SER C C 13 172.922 0.2 . 1 . . . . 4 SER C . 6990 1 155 . 1 1 13 13 SER CA C 13 56.693 0.2 . 1 . . . . 4 SER CA . 6990 1 156 . 1 1 13 13 SER CB C 13 65.768 0.2 . 1 . . . . 4 SER CB . 6990 1 157 . 1 1 13 13 SER N N 15 123.238 0.1 . 1 . . . . 4 SER N . 6990 1 158 . 1 1 14 14 TYR H H 1 7.576 0.02 . 1 . . . . 5 TYR HN . 6990 1 159 . 1 1 14 14 TYR HA H 1 5.682 0.02 . 1 . . . . 5 TYR HA . 6990 1 160 . 1 1 14 14 TYR HB2 H 1 2.292 0.02 . 2 . . . . 5 TYR HB1 . 6990 1 161 . 1 1 14 14 TYR HB3 H 1 2.602 0.02 . 2 . . . . 5 TYR HB2 . 6990 1 162 . 1 1 14 14 TYR HD1 H 1 6.140 0.02 . 3 . . . . 5 TYR HD1 . 6990 1 163 . 1 1 14 14 TYR HD2 H 1 6.140 0.02 . 3 . . . . 5 TYR HD2 . 6990 1 164 . 1 1 14 14 TYR HE1 H 1 6.790 0.02 . 3 . . . . 5 TYR HE1 . 6990 1 165 . 1 1 14 14 TYR HE2 H 1 6.790 0.02 . 3 . . . . 5 TYR HE2 . 6990 1 166 . 1 1 14 14 TYR C C 13 174.323 0.2 . 1 . . . . 5 TYR C . 6990 1 167 . 1 1 14 14 TYR CA C 13 54.860 0.2 . 1 . . . . 5 TYR CA . 6990 1 168 . 1 1 14 14 TYR CB C 13 41.130 0.2 . 1 . . . . 5 TYR CB . 6990 1 169 . 1 1 14 14 TYR CD1 C 13 133.100 0.2 . 3 . . . . 5 TYR CD1 . 6990 1 170 . 1 1 14 14 TYR CD2 C 13 133.100 0.2 . 3 . . . . 5 TYR CD2 . 6990 1 171 . 1 1 14 14 TYR CE1 C 13 118.900 0.2 . 3 . . . . 5 TYR CE1 . 6990 1 172 . 1 1 14 14 TYR CE2 C 13 118.900 0.2 . 3 . . . . 5 TYR CE2 . 6990 1 173 . 1 1 14 14 TYR N N 15 118.877 0.1 . 1 . . . . 5 TYR N . 6990 1 174 . 1 1 15 15 ASP H H 1 8.399 0.02 . 1 . . . . 6 ASP HN . 6990 1 175 . 1 1 15 15 ASP HA H 1 5.002 0.02 . 1 . . . . 6 ASP HA . 6990 1 176 . 1 1 15 15 ASP HB2 H 1 2.587 0.02 . 2 . . . . 6 ASP HB1 . 6990 1 177 . 1 1 15 15 ASP HB3 H 1 2.834 0.02 . 2 . . . . 6 ASP HB2 . 6990 1 178 . 1 1 15 15 ASP C C 13 175.357 0.2 . 1 . . . . 6 ASP C . 6990 1 179 . 1 1 15 15 ASP CA C 13 50.677 0.2 . 1 . . . . 6 ASP CA . 6990 1 180 . 1 1 15 15 ASP CB C 13 44.627 0.2 . 1 . . . . 6 ASP CB . 6990 1 181 . 1 1 15 15 ASP N N 15 121.300 0.1 . 1 . . . . 6 ASP N . 6990 1 182 . 1 1 16 16 PRO HA H 1 4.326 0.02 . 1 . . . . 7 PRO HA . 6990 1 183 . 1 1 16 16 PRO HB2 H 1 2.147 0.02 . 2 . . . . 7 PRO HB1 . 6990 1 184 . 1 1 16 16 PRO HB3 H 1 2.461 0.02 . 2 . . . . 7 PRO HB2 . 6990 1 185 . 1 1 16 16 PRO HD2 H 1 3.651 0.02 . 2 . . . . 7 PRO HD1 . 6990 1 186 . 1 1 16 16 PRO HD3 H 1 4.133 0.02 . 2 . . . . 7 PRO HD2 . 6990 1 187 . 1 1 16 16 PRO HG2 H 1 2.046 0.02 . 2 . . . . 7 PRO HG1 . 6990 1 188 . 1 1 16 16 PRO HG3 H 1 2.108 0.02 . 2 . . . . 7 PRO HG2 . 6990 1 189 . 1 1 16 16 PRO C C 13 177.201 0.2 . 1 . . . . 7 PRO C . 6990 1 190 . 1 1 16 16 PRO CA C 13 63.152 0.2 . 1 . . . . 7 PRO CA . 6990 1 191 . 1 1 16 16 PRO CB C 13 32.521 0.2 . 1 . . . . 7 PRO CB . 6990 1 192 . 1 1 16 16 PRO CD C 13 52.087 0.2 . 1 . . . . 7 PRO CD . 6990 1 193 . 1 1 16 16 PRO CG C 13 26.792 0.2 . 1 . . . . 7 PRO CG . 6990 1 194 . 1 1 17 17 ILE H H 1 8.643 0.02 . 1 . . . . 8 ILE HN . 6990 1 195 . 1 1 17 17 ILE HA H 1 3.972 0.02 . 1 . . . . 8 ILE HA . 6990 1 196 . 1 1 17 17 ILE HB H 1 1.582 0.02 . 1 . . . . 8 ILE HB . 6990 1 197 . 1 1 17 17 ILE HD11 H 1 0.699 0.02 . 1 . . . . 8 ILE HD11 . 6990 1 198 . 1 1 17 17 ILE HD12 H 1 0.699 0.02 . 1 . . . . 8 ILE HD11 . 6990 1 199 . 1 1 17 17 ILE HD13 H 1 0.699 0.02 . 1 . . . . 8 ILE HD11 . 6990 1 200 . 1 1 17 17 ILE HG12 H 1 1.025 0.02 . 1 . . . . 8 ILE HG11 . 6990 1 201 . 1 1 17 17 ILE HG13 H 1 1.025 0.02 . 1 . . . . 8 ILE HG12 . 6990 1 202 . 1 1 17 17 ILE HG21 H 1 0.097 0.02 . 1 . . . . 8 ILE HG21 . 6990 1 203 . 1 1 17 17 ILE HG22 H 1 0.097 0.02 . 1 . . . . 8 ILE HG21 . 6990 1 204 . 1 1 17 17 ILE HG23 H 1 0.097 0.02 . 1 . . . . 8 ILE HG21 . 6990 1 205 . 1 1 17 17 ILE C C 13 177.986 0.2 . 1 . . . . 8 ILE C . 6990 1 206 . 1 1 17 17 ILE CA C 13 63.037 0.2 . 1 . . . . 8 ILE CA . 6990 1 207 . 1 1 17 17 ILE CB C 13 37.638 0.2 . 1 . . . . 8 ILE CB . 6990 1 208 . 1 1 17 17 ILE CD1 C 13 13.741 0.2 . 1 . . . . 8 ILE CD1 . 6990 1 209 . 1 1 17 17 ILE CG1 C 13 28.325 0.2 . 1 . . . . 8 ILE CG1 . 6990 1 210 . 1 1 17 17 ILE CG2 C 13 16.537 0.2 . 1 . . . . 8 ILE CG2 . 6990 1 211 . 1 1 17 17 ILE N N 15 122.014 0.1 . 1 . . . . 8 ILE N . 6990 1 212 . 1 1 18 18 TYR H H 1 6.909 0.02 . 1 . . . . 9 TYR HN . 6990 1 213 . 1 1 18 18 TYR HA H 1 4.622 0.02 . 1 . . . . 9 TYR HA . 6990 1 214 . 1 1 18 18 TYR HB2 H 1 2.735 0.02 . 2 . . . . 9 TYR HB1 . 6990 1 215 . 1 1 18 18 TYR HB3 H 1 3.284 0.02 . 2 . . . . 9 TYR HB2 . 6990 1 216 . 1 1 18 18 TYR HD1 H 1 6.990 0.02 . 3 . . . . 9 TYR HD1 . 6990 1 217 . 1 1 18 18 TYR HD2 H 1 6.990 0.02 . 3 . . . . 9 TYR HD2 . 6990 1 218 . 1 1 18 18 TYR HE1 H 1 6.660 0.02 . 3 . . . . 9 TYR HE1 . 6990 1 219 . 1 1 18 18 TYR HE2 H 1 6.660 0.02 . 3 . . . . 9 TYR HE2 . 6990 1 220 . 1 1 18 18 TYR HH H 1 11.351 0.02 . 1 . . . . 9 TYR HH . 6990 1 221 . 1 1 18 18 TYR C C 13 173.871 0.2 . 1 . . . . 9 TYR C . 6990 1 222 . 1 1 18 18 TYR CA C 13 58.100 0.2 . 1 . . . . 9 TYR CA . 6990 1 223 . 1 1 18 18 TYR CB C 13 35.921 0.2 . 1 . . . . 9 TYR CB . 6990 1 224 . 1 1 18 18 TYR CD1 C 13 132.500 0.2 . 3 . . . . 9 TYR CD1 . 6990 1 225 . 1 1 18 18 TYR CD2 C 13 132.500 0.2 . 3 . . . . 9 TYR CD2 . 6990 1 226 . 1 1 18 18 TYR CE1 C 13 118.800 0.2 . 3 . . . . 9 TYR CE1 . 6990 1 227 . 1 1 18 18 TYR CE2 C 13 118.800 0.2 . 3 . . . . 9 TYR CE2 . 6990 1 228 . 1 1 18 18 TYR N N 15 121.971 0.1 . 1 . . . . 9 TYR N . 6990 1 229 . 1 1 19 19 ALA H H 1 8.141 0.02 . 1 . . . . 10 ALA HN . 6990 1 230 . 1 1 19 19 ALA HA H 1 4.793 0.02 . 1 . . . . 10 ALA HA . 6990 1 231 . 1 1 19 19 ALA HB1 H 1 1.633 0.02 . 1 . . . . 10 ALA HB1 . 6990 1 232 . 1 1 19 19 ALA HB2 H 1 1.633 0.02 . 1 . . . . 10 ALA HB1 . 6990 1 233 . 1 1 19 19 ALA HB3 H 1 1.633 0.02 . 1 . . . . 10 ALA HB1 . 6990 1 234 . 1 1 19 19 ALA C C 13 177.710 0.2 . 1 . . . . 10 ALA C . 6990 1 235 . 1 1 19 19 ALA CA C 13 50.223 0.2 . 1 . . . . 10 ALA CA . 6990 1 236 . 1 1 19 19 ALA CB C 13 22.153 0.2 . 1 . . . . 10 ALA CB . 6990 1 237 . 1 1 19 19 ALA N N 15 128.443 0.1 . 1 . . . . 10 ALA N . 6990 1 238 . 1 1 20 20 ALA H H 1 8.969 0.02 . 1 . . . . 11 ALA HN . 6990 1 239 . 1 1 20 20 ALA HA H 1 3.073 0.02 . 1 . . . . 11 ALA HA . 6990 1 240 . 1 1 20 20 ALA HB1 H 1 1.239 0.02 . 1 . . . . 11 ALA HB1 . 6990 1 241 . 1 1 20 20 ALA HB2 H 1 1.239 0.02 . 1 . . . . 11 ALA HB1 . 6990 1 242 . 1 1 20 20 ALA HB3 H 1 1.239 0.02 . 1 . . . . 11 ALA HB1 . 6990 1 243 . 1 1 20 20 ALA C C 13 178.200 0.2 . 1 . . . . 11 ALA C . 6990 1 244 . 1 1 20 20 ALA CA C 13 54.030 0.2 . 1 . . . . 11 ALA CA . 6990 1 245 . 1 1 20 20 ALA CB C 13 18.528 0.2 . 1 . . . . 11 ALA CB . 6990 1 246 . 1 1 20 20 ALA N N 15 121.387 0.1 . 1 . . . . 11 ALA N . 6990 1 247 . 1 1 21 21 ASP H H 1 8.026 0.02 . 1 . . . . 12 ASP HN . 6990 1 248 . 1 1 21 21 ASP HA H 1 4.462 0.02 . 1 . . . . 12 ASP HA . 6990 1 249 . 1 1 21 21 ASP HB2 H 1 2.629 0.02 . 2 . . . . 12 ASP HB1 . 6990 1 250 . 1 1 21 21 ASP HB3 H 1 2.853 0.02 . 2 . . . . 12 ASP HB2 . 6990 1 251 . 1 1 21 21 ASP C C 13 176.014 0.2 . 1 . . . . 12 ASP C . 6990 1 252 . 1 1 21 21 ASP CA C 13 52.757 0.2 . 1 . . . . 12 ASP CA . 6990 1 253 . 1 1 21 21 ASP CB C 13 39.894 0.2 . 1 . . . . 12 ASP CB . 6990 1 254 . 1 1 21 21 ASP N N 15 111.850 0.1 . 1 . . . . 12 ASP N . 6990 1 255 . 1 1 22 22 LEU H H 1 7.494 0.02 . 1 . . . . 13 LEU HN . 6990 1 256 . 1 1 22 22 LEU HA H 1 4.168 0.02 . 1 . . . . 13 LEU HA . 6990 1 257 . 1 1 22 22 LEU HB2 H 1 1.772 0.02 . 2 . . . . 13 LEU HB1 . 6990 1 258 . 1 1 22 22 LEU HB3 H 1 2.084 0.02 . 2 . . . . 13 LEU HB2 . 6990 1 259 . 1 1 22 22 LEU HD11 H 1 0.960 0.02 . 2 . . . . 13 LEU HD11 . 6990 1 260 . 1 1 22 22 LEU HD12 H 1 0.960 0.02 . 2 . . . . 13 LEU HD11 . 6990 1 261 . 1 1 22 22 LEU HD13 H 1 0.960 0.02 . 2 . . . . 13 LEU HD11 . 6990 1 262 . 1 1 22 22 LEU HD21 H 1 1.020 0.02 . 2 . . . . 13 LEU HD21 . 6990 1 263 . 1 1 22 22 LEU HD22 H 1 1.020 0.02 . 2 . . . . 13 LEU HD21 . 6990 1 264 . 1 1 22 22 LEU HD23 H 1 1.020 0.02 . 2 . . . . 13 LEU HD21 . 6990 1 265 . 1 1 22 22 LEU HG H 1 1.790 0.02 . 1 . . . . 13 LEU HG . 6990 1 266 . 1 1 22 22 LEU C C 13 177.016 0.2 . 1 . . . . 13 LEU C . 6990 1 267 . 1 1 22 22 LEU CA C 13 55.968 0.2 . 1 . . . . 13 LEU CA . 6990 1 268 . 1 1 22 22 LEU CB C 13 42.445 0.2 . 1 . . . . 13 LEU CB . 6990 1 269 . 1 1 22 22 LEU CD1 C 13 26.701 0.2 . 1 . . . . 13 LEU CD1 . 6990 1 270 . 1 1 22 22 LEU CD2 C 13 23.062 0.2 . 1 . . . . 13 LEU CD2 . 6990 1 271 . 1 1 22 22 LEU CG C 13 25.931 0.2 . 1 . . . . 13 LEU CG . 6990 1 272 . 1 1 22 22 LEU N N 15 124.331 0.1 . 1 . . . . 13 LEU N . 6990 1 273 . 1 1 23 23 SER H H 1 8.773 0.02 . 1 . . . . 14 SER HN . 6990 1 274 . 1 1 23 23 SER HA H 1 4.483 0.02 . 1 . . . . 14 SER HA . 6990 1 275 . 1 1 23 23 SER HB2 H 1 4.188 0.02 . 2 . . . . 14 SER HB1 . 6990 1 276 . 1 1 23 23 SER HB3 H 1 3.897 0.02 . 2 . . . . 14 SER HB2 . 6990 1 277 . 1 1 23 23 SER C C 13 177.800 0.2 . 1 . . . . 14 SER C . 6990 1 278 . 1 1 23 23 SER CA C 13 58.161 0.2 . 1 . . . . 14 SER CA . 6990 1 279 . 1 1 23 23 SER CB C 13 63.703 0.2 . 1 . . . . 14 SER CB . 6990 1 280 . 1 1 23 23 SER N N 15 122.080 0.1 . 1 . . . . 14 SER N . 6990 1 281 . 1 1 24 24 MET H H 1 8.552 0.02 . 1 . . . . 15 MET HN . 6990 1 282 . 1 1 24 24 MET HA H 1 4.853 0.02 . 1 . . . . 15 MET HA . 6990 1 283 . 1 1 24 24 MET HB2 H 1 2.050 0.02 . 2 . . . . 15 MET HB1 . 6990 1 284 . 1 1 24 24 MET HB3 H 1 2.050 0.02 . 2 . . . . 15 MET HB2 . 6990 1 285 . 1 1 24 24 MET HE1 H 1 2.041 0.02 . 1 . . . . 15 MET HE1 . 6990 1 286 . 1 1 24 24 MET HE2 H 1 2.041 0.02 . 1 . . . . 15 MET HE1 . 6990 1 287 . 1 1 24 24 MET HE3 H 1 2.041 0.02 . 1 . . . . 15 MET HE1 . 6990 1 288 . 1 1 24 24 MET HG2 H 1 3.088 0.02 . 2 . . . . 15 MET HG1 . 6990 1 289 . 1 1 24 24 MET HG3 H 1 2.034 0.02 . 2 . . . . 15 MET HG2 . 6990 1 290 . 1 1 24 24 MET C C 13 176.297 0.2 . 1 . . . . 15 MET C . 6990 1 291 . 1 1 24 24 MET CA C 13 54.814 0.2 . 1 . . . . 15 MET CA . 6990 1 292 . 1 1 24 24 MET CB C 13 28.835 0.2 . 1 . . . . 15 MET CB . 6990 1 293 . 1 1 24 24 MET CE C 13 17.560 0.2 . 1 . . . . 15 MET CE . 6990 1 294 . 1 1 24 24 MET CG C 13 33.568 0.2 . 1 . . . . 15 MET CG . 6990 1 295 . 1 1 24 24 MET N N 15 128.929 0.1 . 1 . . . . 15 MET N . 6990 1 296 . 1 1 25 25 GLY H H 1 8.423 0.02 . 1 . . . . 16 GLY HN . 6990 1 297 . 1 1 25 25 GLY HA2 H 1 3.848 0.02 . 2 . . . . 16 GLY HA1 . 6990 1 298 . 1 1 25 25 GLY HA3 H 1 4.429 0.02 . 2 . . . . 16 GLY HA2 . 6990 1 299 . 1 1 25 25 GLY C C 13 176.324 0.2 . 1 . . . . 16 GLY C . 6990 1 300 . 1 1 25 25 GLY CA C 13 46.177 0.2 . 1 . . . . 16 GLY CA . 6990 1 301 . 1 1 25 25 GLY N N 15 105.638 0.1 . 1 . . . . 16 GLY N . 6990 1 302 . 1 1 26 26 SER H H 1 8.060 0.02 . 1 . . . . 17 SER HN . 6990 1 303 . 1 1 26 26 SER HA H 1 4.703 0.02 . 1 . . . . 17 SER HA . 6990 1 304 . 1 1 26 26 SER HB2 H 1 4.093 0.02 . 2 . . . . 17 SER HB1 . 6990 1 305 . 1 1 26 26 SER HB3 H 1 4.200 0.02 . 2 . . . . 17 SER HB2 . 6990 1 306 . 1 1 26 26 SER C C 13 173.751 0.2 . 1 . . . . 17 SER C . 6990 1 307 . 1 1 26 26 SER CA C 13 58.900 0.2 . 1 . . . . 17 SER CA . 6990 1 308 . 1 1 26 26 SER CB C 13 64.300 0.2 . 1 . . . . 17 SER CB . 6990 1 309 . 1 1 26 26 SER N N 15 116.224 0.1 . 1 . . . . 17 SER N . 6990 1 310 . 1 1 27 27 VAL H H 1 6.854 0.02 . 1 . . . . 18 VAL HN . 6990 1 311 . 1 1 27 27 VAL HA H 1 4.767 0.02 . 1 . . . . 18 VAL HA . 6990 1 312 . 1 1 27 27 VAL HB H 1 2.620 0.02 . 1 . . . . 18 VAL HB . 6990 1 313 . 1 1 27 27 VAL HG11 H 1 1.037 0.02 . 2 . . . . 18 VAL HG11 . 6990 1 314 . 1 1 27 27 VAL HG12 H 1 1.037 0.02 . 2 . . . . 18 VAL HG11 . 6990 1 315 . 1 1 27 27 VAL HG13 H 1 1.037 0.02 . 2 . . . . 18 VAL HG11 . 6990 1 316 . 1 1 27 27 VAL HG21 H 1 1.027 0.02 . 2 . . . . 18 VAL HG21 . 6990 1 317 . 1 1 27 27 VAL HG22 H 1 1.027 0.02 . 2 . . . . 18 VAL HG21 . 6990 1 318 . 1 1 27 27 VAL HG23 H 1 1.027 0.02 . 2 . . . . 18 VAL HG21 . 6990 1 319 . 1 1 27 27 VAL C C 13 176.470 0.2 . 1 . . . . 18 VAL C . 6990 1 320 . 1 1 27 27 VAL CA C 13 59.070 0.2 . 1 . . . . 18 VAL CA . 6990 1 321 . 1 1 27 27 VAL CB C 13 35.418 0.2 . 1 . . . . 18 VAL CB . 6990 1 322 . 1 1 27 27 VAL CG1 C 13 19.445 0.2 . 1 . . . . 18 VAL CG1 . 6990 1 323 . 1 1 27 27 VAL CG2 C 13 22.737 0.2 . 1 . . . . 18 VAL CG2 . 6990 1 324 . 1 1 27 27 VAL N N 15 111.457 0.1 . 1 . . . . 18 VAL N . 6990 1 325 . 1 1 28 28 ALA H H 1 8.756 0.02 . 1 . . . . 19 ALA HN . 6990 1 326 . 1 1 28 28 ALA HA H 1 4.539 0.02 . 1 . . . . 19 ALA HA . 6990 1 327 . 1 1 28 28 ALA HB1 H 1 1.505 0.02 . 1 . . . . 19 ALA HB1 . 6990 1 328 . 1 1 28 28 ALA HB2 H 1 1.505 0.02 . 1 . . . . 19 ALA HB1 . 6990 1 329 . 1 1 28 28 ALA HB3 H 1 1.505 0.02 . 1 . . . . 19 ALA HB1 . 6990 1 330 . 1 1 28 28 ALA C C 13 179.199 0.2 . 1 . . . . 19 ALA C . 6990 1 331 . 1 1 28 28 ALA CA C 13 54.766 0.2 . 1 . . . . 19 ALA CA . 6990 1 332 . 1 1 28 28 ALA CB C 13 18.787 0.2 . 1 . . . . 19 ALA CB . 6990 1 333 . 1 1 28 28 ALA N N 15 121.354 0.1 . 1 . . . . 19 ALA N . 6990 1 334 . 1 1 29 29 CYS H H 1 6.910 0.02 . 1 . . . . 20 CYS HN . 6990 1 335 . 1 1 29 29 CYS HA H 1 5.218 0.02 . 1 . . . . 20 CYS HA . 6990 1 336 . 1 1 29 29 CYS HB2 H 1 3.094 0.02 . 2 . . . . 20 CYS HB1 . 6990 1 337 . 1 1 29 29 CYS HB3 H 1 3.176 0.02 . 2 . . . . 20 CYS HB2 . 6990 1 338 . 1 1 29 29 CYS C C 13 175.027 0.2 . 1 . . . . 20 CYS C . 6990 1 339 . 1 1 29 29 CYS CA C 13 52.167 0.2 . 1 . . . . 20 CYS CA . 6990 1 340 . 1 1 29 29 CYS CB C 13 37.000 0.2 . 1 . . . . 20 CYS CB . 6990 1 341 . 1 1 29 29 CYS N N 15 116.388 0.1 . 1 . . . . 20 CYS N . 6990 1 342 . 1 1 30 30 SER H H 1 7.810 0.02 . 1 . . . . 21 SER HN . 6990 1 343 . 1 1 30 30 SER HA H 1 4.800 0.02 . 1 . . . . 21 SER HA . 6990 1 344 . 1 1 30 30 SER HB2 H 1 4.452 0.02 . 2 . . . . 21 SER HB1 . 6990 1 345 . 1 1 30 30 SER HB3 H 1 4.668 0.02 . 2 . . . . 21 SER HB2 . 6990 1 346 . 1 1 30 30 SER HG H 1 6.325 0.02 . 1 . . . . 21 SER HG . 6990 1 347 . 1 1 30 30 SER C C 13 175.721 0.2 . 1 . . . . 21 SER C . 6990 1 348 . 1 1 30 30 SER CA C 13 56.695 0.2 . 1 . . . . 21 SER CA . 6990 1 349 . 1 1 30 30 SER CB C 13 64.069 0.2 . 1 . . . . 21 SER CB . 6990 1 350 . 1 1 30 30 SER N N 15 117.629 0.1 . 1 . . . . 21 SER N . 6990 1 351 . 1 1 31 31 ASN H H 1 9.648 0.02 . 1 . . . . 22 ASN HN . 6990 1 352 . 1 1 31 31 ASN HA H 1 4.969 0.02 . 1 . . . . 22 ASN HA . 6990 1 353 . 1 1 31 31 ASN HB2 H 1 3.040 0.02 . 2 . . . . 22 ASN HB1 . 6990 1 354 . 1 1 31 31 ASN HB3 H 1 3.327 0.02 . 2 . . . . 22 ASN HB2 . 6990 1 355 . 1 1 31 31 ASN HD21 H 1 7.786 0.02 . 2 . . . . 22 ASN HD21 . 6990 1 356 . 1 1 31 31 ASN HD22 H 1 6.953 0.02 . 2 . . . . 22 ASN HD22 . 6990 1 357 . 1 1 31 31 ASN C C 13 175.054 0.2 . 1 . . . . 22 ASN C . 6990 1 358 . 1 1 31 31 ASN CA C 13 52.186 0.2 . 1 . . . . 22 ASN CA . 6990 1 359 . 1 1 31 31 ASN CB C 13 38.613 0.2 . 1 . . . . 22 ASN CB . 6990 1 360 . 1 1 31 31 ASN CG C 13 177.442 0.2 . 1 . . . . 22 ASN CG . 6990 1 361 . 1 1 31 31 ASN N N 15 123.862 0.1 . 1 . . . . 22 ASN N . 6990 1 362 . 1 1 31 31 ASN ND2 N 15 113.915 0.1 . 1 . . . . 22 ASN ND2 . 6990 1 363 . 1 1 32 32 GLY H H 1 8.520 0.02 . 1 . . . . 23 GLY HN . 6990 1 364 . 1 1 32 32 GLY HA2 H 1 3.765 0.02 . 2 . . . . 23 GLY HA1 . 6990 1 365 . 1 1 32 32 GLY HA3 H 1 4.164 0.02 . 2 . . . . 23 GLY HA2 . 6990 1 366 . 1 1 32 32 GLY C C 13 175.485 0.2 . 1 . . . . 23 GLY C . 6990 1 367 . 1 1 32 32 GLY CA C 13 44.510 0.2 . 1 . . . . 23 GLY CA . 6990 1 368 . 1 1 32 32 GLY N N 15 109.317 0.1 . 1 . . . . 23 GLY N . 6990 1 369 . 1 1 33 33 ASP H H 1 9.099 0.02 . 1 . . . . 24 ASP HN . 6990 1 370 . 1 1 33 33 ASP HA H 1 4.238 0.02 . 1 . . . . 24 ASP HA . 6990 1 371 . 1 1 33 33 ASP HB2 H 1 2.195 0.02 . 2 . . . . 24 ASP HB1 . 6990 1 372 . 1 1 33 33 ASP HB3 H 1 2.259 0.02 . 2 . . . . 24 ASP HB2 . 6990 1 373 . 1 1 33 33 ASP C C 13 178.178 0.2 . 1 . . . . 24 ASP C . 6990 1 374 . 1 1 33 33 ASP CA C 13 57.017 0.2 . 1 . . . . 24 ASP CA . 6990 1 375 . 1 1 33 33 ASP CB C 13 40.702 0.2 . 1 . . . . 24 ASP CB . 6990 1 376 . 1 1 33 33 ASP N N 15 123.522 0.1 . 1 . . . . 24 ASP N . 6990 1 377 . 1 1 34 34 HIS H H 1 10.295 0.02 . 1 . . . . 25 HIS HN . 6990 1 378 . 1 1 34 34 HIS HA H 1 4.726 0.02 . 1 . . . . 25 HIS HA . 6990 1 379 . 1 1 34 34 HIS HB2 H 1 2.460 0.02 . 2 . . . . 25 HIS HB1 . 6990 1 380 . 1 1 34 34 HIS HB3 H 1 3.401 0.02 . 2 . . . . 25 HIS HB2 . 6990 1 381 . 1 1 34 34 HIS HD2 H 1 7.340 0.02 . 4 . . . . 25 HIS HD2 . 6990 1 382 . 1 1 34 34 HIS HE1 H 1 7.710 0.02 . 4 . . . . 25 HIS HE1 . 6990 1 383 . 1 1 34 34 HIS C C 13 175.280 0.2 . 1 . . . . 25 HIS C . 6990 1 384 . 1 1 34 34 HIS CA C 13 54.308 0.2 . 1 . . . . 25 HIS CA . 6990 1 385 . 1 1 34 34 HIS CB C 13 28.874 0.2 . 1 . . . . 25 HIS CB . 6990 1 386 . 1 1 34 34 HIS CD2 C 13 121.400 0.2 . 1 . . . . 25 HIS CD2 . 6990 1 387 . 1 1 34 34 HIS CE1 C 13 138.600 0.2 . 1 . . . . 25 HIS CE1 . 6990 1 388 . 1 1 34 34 HIS N N 15 119.283 0.1 . 1 . . . . 25 HIS N . 6990 1 389 . 1 1 35 35 GLY H H 1 7.186 0.02 . 1 . . . . 26 GLY HN . 6990 1 390 . 1 1 35 35 GLY HA2 H 1 3.547 0.02 . 2 . . . . 26 GLY HA1 . 6990 1 391 . 1 1 35 35 GLY HA3 H 1 3.636 0.02 . 2 . . . . 26 GLY HA2 . 6990 1 392 . 1 1 35 35 GLY C C 13 174.050 0.2 . 1 . . . . 26 GLY C . 6990 1 393 . 1 1 35 35 GLY CA C 13 45.212 0.2 . 1 . . . . 26 GLY CA . 6990 1 394 . 1 1 35 35 GLY N N 15 107.404 0.1 . 1 . . . . 26 GLY N . 6990 1 395 . 1 1 36 36 LEU H H 1 7.778 0.02 . 1 . . . . 27 LEU HN . 6990 1 396 . 1 1 36 36 LEU HA H 1 4.786 0.02 . 1 . . . . 27 LEU HA . 6990 1 397 . 1 1 36 36 LEU HB2 H 1 1.897 0.02 . 2 . . . . 27 LEU HB1 . 6990 1 398 . 1 1 36 36 LEU HB3 H 1 2.025 0.02 . 2 . . . . 27 LEU HB2 . 6990 1 399 . 1 1 36 36 LEU HD11 H 1 1.057 0.02 . 2 . . . . 27 LEU HD11 . 6990 1 400 . 1 1 36 36 LEU HD12 H 1 1.057 0.02 . 2 . . . . 27 LEU HD11 . 6990 1 401 . 1 1 36 36 LEU HD13 H 1 1.057 0.02 . 2 . . . . 27 LEU HD11 . 6990 1 402 . 1 1 36 36 LEU HD21 H 1 1.137 0.02 . 2 . . . . 27 LEU HD21 . 6990 1 403 . 1 1 36 36 LEU HD22 H 1 1.137 0.02 . 2 . . . . 27 LEU HD21 . 6990 1 404 . 1 1 36 36 LEU HD23 H 1 1.137 0.02 . 2 . . . . 27 LEU HD21 . 6990 1 405 . 1 1 36 36 LEU HG H 1 1.830 0.02 . 1 . . . . 27 LEU HG . 6990 1 406 . 1 1 36 36 LEU C C 13 177.576 0.2 . 1 . . . . 27 LEU C . 6990 1 407 . 1 1 36 36 LEU CA C 13 55.153 0.2 . 1 . . . . 27 LEU CA . 6990 1 408 . 1 1 36 36 LEU CB C 13 45.872 0.2 . 1 . . . . 27 LEU CB . 6990 1 409 . 1 1 36 36 LEU CD1 C 13 26.048 0.2 . 1 . . . . 27 LEU CD1 . 6990 1 410 . 1 1 36 36 LEU CD2 C 13 23.857 0.2 . 1 . . . . 27 LEU CD2 . 6990 1 411 . 1 1 36 36 LEU CG C 13 28.200 0.2 . 1 . . . . 27 LEU CG . 6990 1 412 . 1 1 36 36 LEU N N 15 119.946 0.1 . 1 . . . . 27 LEU N . 6990 1 413 . 1 1 37 37 MET H H 1 8.475 0.02 . 1 . . . . 28 MET HN . 6990 1 414 . 1 1 37 37 MET HA H 1 4.255 0.02 . 1 . . . . 28 MET HA . 6990 1 415 . 1 1 37 37 MET HB2 H 1 1.635 0.02 . 2 . . . . 28 MET HB1 . 6990 1 416 . 1 1 37 37 MET HB3 H 1 1.968 0.02 . 2 . . . . 28 MET HB2 . 6990 1 417 . 1 1 37 37 MET HE1 H 1 2.118 0.02 . 1 . . . . 28 MET HE1 . 6990 1 418 . 1 1 37 37 MET HE2 H 1 2.118 0.02 . 1 . . . . 28 MET HE1 . 6990 1 419 . 1 1 37 37 MET HE3 H 1 2.118 0.02 . 1 . . . . 28 MET HE1 . 6990 1 420 . 1 1 37 37 MET HG2 H 1 2.022 0.02 . 2 . . . . 28 MET HG1 . 6990 1 421 . 1 1 37 37 MET HG3 H 1 2.022 0.02 . 2 . . . . 28 MET HG2 . 6990 1 422 . 1 1 37 37 MET C C 13 176.160 0.2 . 1 . . . . 28 MET C . 6990 1 423 . 1 1 37 37 MET CA C 13 57.814 0.2 . 1 . . . . 28 MET CA . 6990 1 424 . 1 1 37 37 MET CB C 13 33.816 0.2 . 1 . . . . 28 MET CB . 6990 1 425 . 1 1 37 37 MET CE C 13 17.344 0.2 . 1 . . . . 28 MET CE . 6990 1 426 . 1 1 37 37 MET CG C 13 33.597 0.2 . 1 . . . . 28 MET CG . 6990 1 427 . 1 1 37 37 MET N N 15 121.129 0.1 . 1 . . . . 28 MET N . 6990 1 428 . 1 1 38 38 ALA H H 1 8.624 0.02 . 1 . . . . 29 ALA HN . 6990 1 429 . 1 1 38 38 ALA HA H 1 3.976 0.02 . 1 . . . . 29 ALA HA . 6990 1 430 . 1 1 38 38 ALA HB1 H 1 1.344 0.02 . 1 . . . . 29 ALA HB1 . 6990 1 431 . 1 1 38 38 ALA HB2 H 1 1.344 0.02 . 1 . . . . 29 ALA HB1 . 6990 1 432 . 1 1 38 38 ALA HB3 H 1 1.344 0.02 . 1 . . . . 29 ALA HB1 . 6990 1 433 . 1 1 38 38 ALA C C 13 179.400 0.2 . 1 . . . . 29 ALA C . 6990 1 434 . 1 1 38 38 ALA CA C 13 54.351 0.2 . 1 . . . . 29 ALA CA . 6990 1 435 . 1 1 38 38 ALA CB C 13 17.488 0.2 . 1 . . . . 29 ALA CB . 6990 1 436 . 1 1 38 38 ALA N N 15 122.394 0.1 . 1 . . . . 29 ALA N . 6990 1 437 . 1 1 39 39 GLN H H 1 7.219 0.02 . 1 . . . . 30 GLN HN . 6990 1 438 . 1 1 39 39 GLN HA H 1 3.953 0.02 . 1 . . . . 30 GLN HA . 6990 1 439 . 1 1 39 39 GLN HB2 H 1 0.929 0.02 . 2 . . . . 30 GLN HB1 . 6990 1 440 . 1 1 39 39 GLN HB3 H 1 1.247 0.02 . 2 . . . . 30 GLN HB2 . 6990 1 441 . 1 1 39 39 GLN HE21 H 1 7.469 0.02 . 2 . . . . 30 GLN HE21 . 6990 1 442 . 1 1 39 39 GLN HE22 H 1 6.745 0.02 . 2 . . . . 30 GLN HE22 . 6990 1 443 . 1 1 39 39 GLN HG2 H 1 1.889 0.02 . 2 . . . . 30 GLN HG1 . 6990 1 444 . 1 1 39 39 GLN HG3 H 1 1.983 0.02 . 2 . . . . 30 GLN HG2 . 6990 1 445 . 1 1 39 39 GLN C C 13 175.786 0.2 . 1 . . . . 30 GLN C . 6990 1 446 . 1 1 39 39 GLN CA C 13 56.954 0.2 . 1 . . . . 30 GLN CA . 6990 1 447 . 1 1 39 39 GLN CB C 13 30.127 0.2 . 1 . . . . 30 GLN CB . 6990 1 448 . 1 1 39 39 GLN CG C 13 34.372 0.2 . 1 . . . . 30 GLN CG . 6990 1 449 . 1 1 39 39 GLN N N 15 115.662 0.1 . 1 . . . . 30 GLN N . 6990 1 450 . 1 1 39 39 GLN NE2 N 15 112.869 0.1 . 1 . . . . 30 GLN NE2 . 6990 1 451 . 1 1 40 40 TYR H H 1 7.975 0.02 . 1 . . . . 31 TYR HN . 6990 1 452 . 1 1 40 40 TYR HA H 1 5.115 0.02 . 1 . . . . 31 TYR HA . 6990 1 453 . 1 1 40 40 TYR HB2 H 1 3.094 0.02 . 2 . . . . 31 TYR HB1 . 6990 1 454 . 1 1 40 40 TYR HB3 H 1 2.775 0.02 . 2 . . . . 31 TYR HB2 . 6990 1 455 . 1 1 40 40 TYR HD1 H 1 7.270 0.02 . 3 . . . . 31 TYR HD1 . 6990 1 456 . 1 1 40 40 TYR HD2 H 1 7.270 0.02 . 3 . . . . 31 TYR HD2 . 6990 1 457 . 1 1 40 40 TYR HE1 H 1 6.870 0.02 . 3 . . . . 31 TYR HE1 . 6990 1 458 . 1 1 40 40 TYR HE2 H 1 6.870 0.02 . 3 . . . . 31 TYR HE2 . 6990 1 459 . 1 1 40 40 TYR CA C 13 52.470 0.2 . 1 . . . . 31 TYR CA . 6990 1 460 . 1 1 40 40 TYR CB C 13 39.422 0.2 . 1 . . . . 31 TYR CB . 6990 1 461 . 1 1 40 40 TYR CD1 C 13 136.000 0.2 . 3 . . . . 31 TYR CD1 . 6990 1 462 . 1 1 40 40 TYR CD2 C 13 136.000 0.2 . 3 . . . . 31 TYR CD2 . 6990 1 463 . 1 1 40 40 TYR CE1 C 13 118.500 0.2 . 3 . . . . 31 TYR CE1 . 6990 1 464 . 1 1 40 40 TYR CE2 C 13 118.500 0.2 . 3 . . . . 31 TYR CE2 . 6990 1 465 . 1 1 40 40 TYR N N 15 120.327 0.1 . 1 . . . . 31 TYR N . 6990 1 466 . 1 1 41 41 PRO HA H 1 4.420 0.02 . 1 . . . . 32 PRO HA . 6990 1 467 . 1 1 41 41 PRO HB2 H 1 2.080 0.02 . 2 . . . . 32 PRO HB1 . 6990 1 468 . 1 1 41 41 PRO HB3 H 1 2.470 0.02 . 2 . . . . 32 PRO HB2 . 6990 1 469 . 1 1 41 41 PRO HD2 H 1 3.530 0.02 . 2 . . . . 32 PRO HD1 . 6990 1 470 . 1 1 41 41 PRO HD3 H 1 3.980 0.02 . 2 . . . . 32 PRO HD2 . 6990 1 471 . 1 1 41 41 PRO HG2 H 1 2.030 0.02 . 2 . . . . 32 PRO HG1 . 6990 1 472 . 1 1 41 41 PRO HG3 H 1 2.270 0.02 . 2 . . . . 32 PRO HG2 . 6990 1 473 . 1 1 41 41 PRO C C 13 179.195 0.2 . 1 . . . . 32 PRO C . 6990 1 474 . 1 1 41 41 PRO CA C 13 65.580 0.2 . 1 . . . . 32 PRO CA . 6990 1 475 . 1 1 41 41 PRO CB C 13 32.700 0.2 . 1 . . . . 32 PRO CB . 6990 1 476 . 1 1 41 41 PRO CD C 13 49.900 0.2 . 1 . . . . 32 PRO CD . 6990 1 477 . 1 1 41 41 PRO CG C 13 27.675 0.2 . 1 . . . . 32 PRO CG . 6990 1 478 . 1 1 42 42 THR H H 1 7.390 0.02 . 1 . . . . 33 THR HN . 6990 1 479 . 1 1 42 42 THR HA H 1 5.210 0.02 . 1 . . . . 33 THR HA . 6990 1 480 . 1 1 42 42 THR HB H 1 4.353 0.02 . 1 . . . . 33 THR HB . 6990 1 481 . 1 1 42 42 THR HG21 H 1 1.127 0.02 . 1 . . . . 33 THR HG21 . 6990 1 482 . 1 1 42 42 THR HG22 H 1 1.127 0.02 . 1 . . . . 33 THR HG21 . 6990 1 483 . 1 1 42 42 THR HG23 H 1 1.127 0.02 . 1 . . . . 33 THR HG21 . 6990 1 484 . 1 1 42 42 THR C C 13 175.183 0.2 . 1 . . . . 33 THR C . 6990 1 485 . 1 1 42 42 THR CA C 13 58.810 0.2 . 1 . . . . 33 THR CA . 6990 1 486 . 1 1 42 42 THR CB C 13 72.278 0.2 . 1 . . . . 33 THR CB . 6990 1 487 . 1 1 42 42 THR CG2 C 13 21.972 0.2 . 1 . . . . 33 THR CG2 . 6990 1 488 . 1 1 42 42 THR N N 15 107.608 0.1 . 1 . . . . 33 THR N . 6990 1 489 . 1 1 43 43 LEU H H 1 8.901 0.02 . 1 . . . . 34 LEU HN . 6990 1 490 . 1 1 43 43 LEU HA H 1 4.399 0.02 . 1 . . . . 34 LEU HA . 6990 1 491 . 1 1 43 43 LEU HB2 H 1 1.576 0.02 . 2 . . . . 34 LEU HB1 . 6990 1 492 . 1 1 43 43 LEU HB3 H 1 2.355 0.02 . 2 . . . . 34 LEU HB2 . 6990 1 493 . 1 1 43 43 LEU HD11 H 1 1.246 0.02 . 2 . . . . 34 LEU HD11 . 6990 1 494 . 1 1 43 43 LEU HD12 H 1 1.246 0.02 . 2 . . . . 34 LEU HD11 . 6990 1 495 . 1 1 43 43 LEU HD13 H 1 1.246 0.02 . 2 . . . . 34 LEU HD11 . 6990 1 496 . 1 1 43 43 LEU HD21 H 1 1.290 0.02 . 2 . . . . 34 LEU HD21 . 6990 1 497 . 1 1 43 43 LEU HD22 H 1 1.290 0.02 . 2 . . . . 34 LEU HD21 . 6990 1 498 . 1 1 43 43 LEU HD23 H 1 1.290 0.02 . 2 . . . . 34 LEU HD21 . 6990 1 499 . 1 1 43 43 LEU HG H 1 2.454 0.02 . 1 . . . . 34 LEU HG . 6990 1 500 . 1 1 43 43 LEU C C 13 178.237 0.2 . 1 . . . . 34 LEU C . 6990 1 501 . 1 1 43 43 LEU CA C 13 57.165 0.2 . 1 . . . . 34 LEU CA . 6990 1 502 . 1 1 43 43 LEU CB C 13 41.470 0.2 . 1 . . . . 34 LEU CB . 6990 1 503 . 1 1 43 43 LEU CD1 C 13 25.046 0.2 . 1 . . . . 34 LEU CD1 . 6990 1 504 . 1 1 43 43 LEU CD2 C 13 27.117 0.2 . 1 . . . . 34 LEU CD2 . 6990 1 505 . 1 1 43 43 LEU CG C 13 25.046 0.2 . 1 . . . . 34 LEU CG . 6990 1 506 . 1 1 43 43 LEU N N 15 125.266 0.1 . 1 . . . . 34 LEU N . 6990 1 507 . 1 1 44 44 GLY H H 1 8.991 0.02 . 1 . . . . 35 GLY HN . 6990 1 508 . 1 1 44 44 GLY HA2 H 1 2.177 0.02 . 2 . . . . 35 GLY HA1 . 6990 1 509 . 1 1 44 44 GLY HA3 H 1 3.091 0.02 . 2 . . . . 35 GLY HA2 . 6990 1 510 . 1 1 44 44 GLY C C 13 174.898 0.2 . 1 . . . . 35 GLY C . 6990 1 511 . 1 1 44 44 GLY CA C 13 44.665 0.2 . 1 . . . . 35 GLY CA . 6990 1 512 . 1 1 44 44 GLY N N 15 105.431 0.1 . 1 . . . . 35 GLY N . 6990 1 513 . 1 1 45 45 GLU H H 1 7.464 0.02 . 1 . . . . 36 GLU HN . 6990 1 514 . 1 1 45 45 GLU HA H 1 4.155 0.02 . 1 . . . . 36 GLU HA . 6990 1 515 . 1 1 45 45 GLU HB2 H 1 2.186 0.02 . 2 . . . . 36 GLU HB1 . 6990 1 516 . 1 1 45 45 GLU HB3 H 1 2.570 0.02 . 2 . . . . 36 GLU HB2 . 6990 1 517 . 1 1 45 45 GLU HG2 H 1 2.232 0.02 . 2 . . . . 36 GLU HG1 . 6990 1 518 . 1 1 45 45 GLU HG3 H 1 2.154 0.02 . 2 . . . . 36 GLU HG2 . 6990 1 519 . 1 1 45 45 GLU C C 13 176.120 0.2 . 1 . . . . 36 GLU C . 6990 1 520 . 1 1 45 45 GLU CA C 13 55.877 0.2 . 1 . . . . 36 GLU CA . 6990 1 521 . 1 1 45 45 GLU CB C 13 31.676 0.2 . 1 . . . . 36 GLU CB . 6990 1 522 . 1 1 45 45 GLU CG C 13 37.850 0.2 . 1 . . . . 36 GLU CG . 6990 1 523 . 1 1 45 45 GLU N N 15 118.882 0.1 . 1 . . . . 36 GLU N . 6990 1 524 . 1 1 46 46 VAL H H 1 7.806 0.02 . 1 . . . . 37 VAL HN . 6990 1 525 . 1 1 46 46 VAL HA H 1 2.995 0.02 . 1 . . . . 37 VAL HA . 6990 1 526 . 1 1 46 46 VAL HB H 1 2.410 0.02 . 1 . . . . 37 VAL HB . 6990 1 527 . 1 1 46 46 VAL HG11 H 1 0.640 0.02 . 2 . . . . 37 VAL HG11 . 6990 1 528 . 1 1 46 46 VAL HG12 H 1 0.640 0.02 . 2 . . . . 37 VAL HG11 . 6990 1 529 . 1 1 46 46 VAL HG13 H 1 0.640 0.02 . 2 . . . . 37 VAL HG11 . 6990 1 530 . 1 1 46 46 VAL HG21 H 1 1.193 0.02 . 2 . . . . 37 VAL HG21 . 6990 1 531 . 1 1 46 46 VAL HG22 H 1 1.193 0.02 . 2 . . . . 37 VAL HG21 . 6990 1 532 . 1 1 46 46 VAL HG23 H 1 1.193 0.02 . 2 . . . . 37 VAL HG21 . 6990 1 533 . 1 1 46 46 VAL C C 13 174.681 0.2 . 1 . . . . 37 VAL C . 6990 1 534 . 1 1 46 46 VAL CA C 13 60.820 0.2 . 1 . . . . 37 VAL CA . 6990 1 535 . 1 1 46 46 VAL CB C 13 32.470 0.2 . 1 . . . . 37 VAL CB . 6990 1 536 . 1 1 46 46 VAL CG1 C 13 20.250 0.2 . 1 . . . . 37 VAL CG1 . 6990 1 537 . 1 1 46 46 VAL CG2 C 13 23.300 0.2 . 1 . . . . 37 VAL CG2 . 6990 1 538 . 1 1 46 46 VAL N N 15 124.272 0.1 . 1 . . . . 37 VAL N . 6990 1 539 . 1 1 47 47 PRO HA H 1 4.230 0.02 . 1 . . . . 38 PRO HA . 6990 1 540 . 1 1 47 47 PRO HB2 H 1 1.550 0.02 . 2 . . . . 38 PRO HB1 . 6990 1 541 . 1 1 47 47 PRO HB3 H 1 2.388 0.02 . 2 . . . . 38 PRO HB2 . 6990 1 542 . 1 1 47 47 PRO HD2 H 1 3.650 0.02 . 2 . . . . 38 PRO HD1 . 6990 1 543 . 1 1 47 47 PRO HD3 H 1 2.570 0.02 . 2 . . . . 38 PRO HD2 . 6990 1 544 . 1 1 47 47 PRO HG2 H 1 2.150 0.02 . 2 . . . . 38 PRO HG1 . 6990 1 545 . 1 1 47 47 PRO HG3 H 1 1.880 0.02 . 2 . . . . 38 PRO HG2 . 6990 1 546 . 1 1 47 47 PRO C C 13 176.042 0.2 . 1 . . . . 38 PRO C . 6990 1 547 . 1 1 47 47 PRO CA C 13 64.300 0.2 . 1 . . . . 38 PRO CA . 6990 1 548 . 1 1 47 47 PRO CB C 13 32.000 0.2 . 1 . . . . 38 PRO CB . 6990 1 549 . 1 1 47 47 PRO CD C 13 51.450 0.2 . 1 . . . . 38 PRO CD . 6990 1 550 . 1 1 47 47 PRO CG C 13 28.200 0.2 . 1 . . . . 38 PRO CG . 6990 1 551 . 1 1 48 48 GLY H H 1 8.998 0.02 . 1 . . . . 39 GLY HN . 6990 1 552 . 1 1 48 48 GLY HA2 H 1 3.518 0.02 . 2 . . . . 39 GLY HA1 . 6990 1 553 . 1 1 48 48 GLY HA3 H 1 4.419 0.02 . 2 . . . . 39 GLY HA2 . 6990 1 554 . 1 1 48 48 GLY C C 13 175.029 0.2 . 1 . . . . 39 GLY C . 6990 1 555 . 1 1 48 48 GLY CA C 13 43.890 0.2 . 1 . . . . 39 GLY CA . 6990 1 556 . 1 1 48 48 GLY N N 15 115.783 0.1 . 1 . . . . 39 GLY N . 6990 1 557 . 1 1 49 49 PHE H H 1 8.533 0.02 . 1 . . . . 40 PHE HN . 6990 1 558 . 1 1 49 49 PHE HA H 1 3.865 0.02 . 1 . . . . 40 PHE HA . 6990 1 559 . 1 1 49 49 PHE HB2 H 1 3.078 0.02 . 2 . . . . 40 PHE HB1 . 6990 1 560 . 1 1 49 49 PHE HB3 H 1 3.555 0.02 . 2 . . . . 40 PHE HB2 . 6990 1 561 . 1 1 49 49 PHE HD1 H 1 7.110 0.02 . 3 . . . . 40 PHE HD1 . 6990 1 562 . 1 1 49 49 PHE HD2 H 1 7.110 0.02 . 3 . . . . 40 PHE HD2 . 6990 1 563 . 1 1 49 49 PHE HE1 H 1 7.507 0.02 . 3 . . . . 40 PHE HE1 . 6990 1 564 . 1 1 49 49 PHE HE2 H 1 7.507 0.02 . 3 . . . . 40 PHE HE2 . 6990 1 565 . 1 1 49 49 PHE HZ H 1 7.640 0.02 . 1 . . . . 40 PHE HZ . 6990 1 566 . 1 1 49 49 PHE C C 13 174.916 0.2 . 1 . . . . 40 PHE C . 6990 1 567 . 1 1 49 49 PHE CA C 13 59.454 0.2 . 1 . . . . 40 PHE CA . 6990 1 568 . 1 1 49 49 PHE CB C 13 39.744 0.2 . 1 . . . . 40 PHE CB . 6990 1 569 . 1 1 49 49 PHE CD1 C 13 134.100 0.2 . 3 . . . . 40 PHE CD1 . 6990 1 570 . 1 1 49 49 PHE CD2 C 13 134.100 0.2 . 3 . . . . 40 PHE CD2 . 6990 1 571 . 1 1 49 49 PHE CE1 C 13 131.490 0.2 . 3 . . . . 40 PHE CE1 . 6990 1 572 . 1 1 49 49 PHE CE2 C 13 131.490 0.2 . 3 . . . . 40 PHE CE2 . 6990 1 573 . 1 1 49 49 PHE CZ C 13 133.600 0.2 . 1 . . . . 40 PHE CZ . 6990 1 574 . 1 1 49 49 PHE N N 15 125.693 0.1 . 1 . . . . 40 PHE N . 6990 1 575 . 1 1 50 50 PRO HA H 1 4.380 0.02 . 1 . . . . 41 PRO HA . 6990 1 576 . 1 1 50 50 PRO HB2 H 1 2.020 0.02 . 2 . . . . 41 PRO HB1 . 6990 1 577 . 1 1 50 50 PRO HB3 H 1 1.836 0.02 . 2 . . . . 41 PRO HB2 . 6990 1 578 . 1 1 50 50 PRO HD2 H 1 3.820 0.02 . 2 . . . . 41 PRO HD1 . 6990 1 579 . 1 1 50 50 PRO HD3 H 1 3.610 0.02 . 2 . . . . 41 PRO HD2 . 6990 1 580 . 1 1 50 50 PRO HG2 H 1 1.254 0.02 . 2 . . . . 41 PRO HG1 . 6990 1 581 . 1 1 50 50 PRO HG3 H 1 1.640 0.02 . 2 . . . . 41 PRO HG2 . 6990 1 582 . 1 1 50 50 PRO C C 13 176.886 0.2 . 1 . . . . 41 PRO C . 6990 1 583 . 1 1 50 50 PRO CA C 13 63.140 0.2 . 1 . . . . 41 PRO CA . 6990 1 584 . 1 1 50 50 PRO CD C 13 50.500 0.2 . 1 . . . . 41 PRO CD . 6990 1 585 . 1 1 51 51 ASN H H 1 8.945 0.02 . 1 . . . . 42 ASN HN . 6990 1 586 . 1 1 51 51 ASN HA H 1 4.817 0.02 . 1 . . . . 42 ASN HA . 6990 1 587 . 1 1 51 51 ASN HB2 H 1 3.139 0.02 . 2 . . . . 42 ASN HB1 . 6990 1 588 . 1 1 51 51 ASN HB3 H 1 3.490 0.02 . 2 . . . . 42 ASN HB2 . 6990 1 589 . 1 1 51 51 ASN HD21 H 1 7.850 0.02 . 2 . . . . 42 ASN HD21 . 6990 1 590 . 1 1 51 51 ASN HD22 H 1 6.536 0.02 . 2 . . . . 42 ASN HD22 . 6990 1 591 . 1 1 51 51 ASN C C 13 175.318 0.2 . 1 . . . . 42 ASN C . 6990 1 592 . 1 1 51 51 ASN CA C 13 51.964 0.2 . 1 . . . . 42 ASN CA . 6990 1 593 . 1 1 51 51 ASN CB C 13 35.520 0.2 . 1 . . . . 42 ASN CB . 6990 1 594 . 1 1 51 51 ASN CG C 13 175.682 0.2 . 1 . . . . 42 ASN CG . 6990 1 595 . 1 1 51 51 ASN N N 15 132.290 0.1 . 1 . . . . 42 ASN N . 6990 1 596 . 1 1 51 51 ASN ND2 N 15 111.291 0.1 . 1 . . . . 42 ASN ND2 . 6990 1 597 . 1 1 52 52 VAL H H 1 8.280 0.02 . 1 . . . . 43 VAL HN . 6990 1 598 . 1 1 52 52 VAL HA H 1 5.730 0.02 . 1 . . . . 43 VAL HA . 6990 1 599 . 1 1 52 52 VAL HB H 1 2.138 0.02 . 1 . . . . 43 VAL HB . 6990 1 600 . 1 1 52 52 VAL HG11 H 1 0.844 0.02 . 2 . . . . 43 VAL HG11 . 6990 1 601 . 1 1 52 52 VAL HG12 H 1 0.844 0.02 . 2 . . . . 43 VAL HG11 . 6990 1 602 . 1 1 52 52 VAL HG13 H 1 0.844 0.02 . 2 . . . . 43 VAL HG11 . 6990 1 603 . 1 1 52 52 VAL HG21 H 1 0.830 0.02 . 2 . . . . 43 VAL HG21 . 6990 1 604 . 1 1 52 52 VAL HG22 H 1 0.830 0.02 . 2 . . . . 43 VAL HG21 . 6990 1 605 . 1 1 52 52 VAL HG23 H 1 0.830 0.02 . 2 . . . . 43 VAL HG21 . 6990 1 606 . 1 1 52 52 VAL C C 13 174.810 0.2 . 1 . . . . 43 VAL C . 6990 1 607 . 1 1 52 52 VAL CA C 13 57.760 0.2 . 1 . . . . 43 VAL CA . 6990 1 608 . 1 1 52 52 VAL CB C 13 37.320 0.2 . 1 . . . . 43 VAL CB . 6990 1 609 . 1 1 52 52 VAL CG1 C 13 19.200 0.2 . 1 . . . . 43 VAL CG1 . 6990 1 610 . 1 1 52 52 VAL CG2 C 13 20.800 0.2 . 1 . . . . 43 VAL CG2 . 6990 1 611 . 1 1 52 52 VAL N N 15 113.678 0.1 . 1 . . . . 43 VAL N . 6990 1 612 . 1 1 53 53 GLY H H 1 7.245 0.02 . 1 . . . . 44 GLY HN . 6990 1 613 . 1 1 53 53 GLY HA2 H 1 2.680 0.02 . 2 . . . . 44 GLY HA1 . 6990 1 614 . 1 1 53 53 GLY HA3 H 1 4.290 0.02 . 2 . . . . 44 GLY HA2 . 6990 1 615 . 1 1 53 53 GLY C C 13 172.018 0.2 . 1 . . . . 44 GLY C . 6990 1 616 . 1 1 53 53 GLY CA C 13 44.731 0.2 . 1 . . . . 44 GLY CA . 6990 1 617 . 1 1 53 53 GLY N N 15 103.034 0.1 . 1 . . . . 44 GLY N . 6990 1 618 . 1 1 54 54 GLY H H 1 9.265 0.02 . 1 . . . . 45 GLY HN . 6990 1 619 . 1 1 54 54 GLY HA2 H 1 3.270 0.02 . 2 . . . . 45 GLY HA1 . 6990 1 620 . 1 1 54 54 GLY HA3 H 1 4.450 0.02 . 2 . . . . 45 GLY HA2 . 6990 1 621 . 1 1 54 54 GLY C C 13 173.578 0.2 . 1 . . . . 45 GLY C . 6990 1 622 . 1 1 54 54 GLY CA C 13 44.507 0.2 . 1 . . . . 45 GLY CA . 6990 1 623 . 1 1 54 54 GLY N N 15 112.522 0.1 . 1 . . . . 45 GLY N . 6990 1 624 . 1 1 55 55 ILE H H 1 7.155 0.02 . 1 . . . . 46 ILE HN . 6990 1 625 . 1 1 55 55 ILE HA H 1 4.273 0.02 . 1 . . . . 46 ILE HA . 6990 1 626 . 1 1 55 55 ILE HB H 1 0.920 0.02 . 1 . . . . 46 ILE HB . 6990 1 627 . 1 1 55 55 ILE HD11 H 1 0.368 0.02 . 1 . . . . 46 ILE HD11 . 6990 1 628 . 1 1 55 55 ILE HD12 H 1 0.368 0.02 . 1 . . . . 46 ILE HD11 . 6990 1 629 . 1 1 55 55 ILE HD13 H 1 0.368 0.02 . 1 . . . . 46 ILE HD11 . 6990 1 630 . 1 1 55 55 ILE HG12 H 1 0.873 0.02 . 1 . . . . 46 ILE HG11 . 6990 1 631 . 1 1 55 55 ILE HG13 H 1 0.873 0.02 . 1 . . . . 46 ILE HG12 . 6990 1 632 . 1 1 55 55 ILE HG21 H 1 0.602 0.02 . 1 . . . . 46 ILE HG21 . 6990 1 633 . 1 1 55 55 ILE HG22 H 1 0.602 0.02 . 1 . . . . 46 ILE HG21 . 6990 1 634 . 1 1 55 55 ILE HG23 H 1 0.602 0.02 . 1 . . . . 46 ILE HG21 . 6990 1 635 . 1 1 55 55 ILE C C 13 175.206 0.2 . 1 . . . . 46 ILE C . 6990 1 636 . 1 1 55 55 ILE CA C 13 57.449 0.2 . 1 . . . . 46 ILE CA . 6990 1 637 . 1 1 55 55 ILE CB C 13 37.323 0.2 . 1 . . . . 46 ILE CB . 6990 1 638 . 1 1 55 55 ILE CD1 C 13 13.871 0.2 . 1 . . . . 46 ILE CD1 . 6990 1 639 . 1 1 55 55 ILE CG1 C 13 25.200 0.2 . 1 . . . . 46 ILE CG1 . 6990 1 640 . 1 1 55 55 ILE CG2 C 13 17.400 0.2 . 1 . . . . 46 ILE CG2 . 6990 1 641 . 1 1 55 55 ILE N N 15 113.399 0.1 . 1 . . . . 46 ILE N . 6990 1 642 . 1 1 56 56 PRO HA H 1 3.651 0.02 . 1 . . . . 47 PRO HA . 6990 1 643 . 1 1 56 56 PRO HB2 H 1 1.422 0.02 . 2 . . . . 47 PRO HB1 . 6990 1 644 . 1 1 56 56 PRO HB3 H 1 1.679 0.02 . 2 . . . . 47 PRO HB2 . 6990 1 645 . 1 1 56 56 PRO HD2 H 1 1.042 0.02 . 2 . . . . 47 PRO HD1 . 6990 1 646 . 1 1 56 56 PRO HD3 H 1 2.127 0.02 . 2 . . . . 47 PRO HD2 . 6990 1 647 . 1 1 56 56 PRO HG2 H 1 0.496 0.02 . 2 . . . . 47 PRO HG1 . 6990 1 648 . 1 1 56 56 PRO HG3 H 1 0.800 0.02 . 2 . . . . 47 PRO HG2 . 6990 1 649 . 1 1 56 56 PRO C C 13 178.500 0.2 . 1 . . . . 47 PRO C . 6990 1 650 . 1 1 56 56 PRO CA C 13 65.226 0.2 . 1 . . . . 47 PRO CA . 6990 1 651 . 1 1 56 56 PRO CB C 13 31.045 0.2 . 1 . . . . 47 PRO CB . 6990 1 652 . 1 1 56 56 PRO CD C 13 48.876 0.2 . 1 . . . . 47 PRO CD . 6990 1 653 . 1 1 56 56 PRO CG C 13 27.294 0.2 . 1 . . . . 47 PRO CG . 6990 1 654 . 1 1 57 57 ASP H H 1 6.835 0.02 . 1 . . . . 48 ASP HN . 6990 1 655 . 1 1 57 57 ASP HA H 1 4.245 0.02 . 1 . . . . 48 ASP HA . 6990 1 656 . 1 1 57 57 ASP HB2 H 1 1.990 0.02 . 2 . . . . 48 ASP HB1 . 6990 1 657 . 1 1 57 57 ASP HB3 H 1 2.787 0.02 . 2 . . . . 48 ASP HB2 . 6990 1 658 . 1 1 57 57 ASP C C 13 174.861 0.2 . 1 . . . . 48 ASP C . 6990 1 659 . 1 1 57 57 ASP CA C 13 56.074 0.2 . 1 . . . . 48 ASP CA . 6990 1 660 . 1 1 57 57 ASP CB C 13 40.663 0.2 . 1 . . . . 48 ASP CB . 6990 1 661 . 1 1 57 57 ASP N N 15 113.506 0.1 . 1 . . . . 48 ASP N . 6990 1 662 . 1 1 58 58 ILE H H 1 6.550 0.02 . 1 . . . . 49 ILE HN . 6990 1 663 . 1 1 58 58 ILE HA H 1 4.240 0.02 . 1 . . . . 49 ILE HA . 6990 1 664 . 1 1 58 58 ILE HB H 1 1.773 0.02 . 1 . . . . 49 ILE HB . 6990 1 665 . 1 1 58 58 ILE HD11 H 1 0.808 0.02 . 1 . . . . 49 ILE HD11 . 6990 1 666 . 1 1 58 58 ILE HD12 H 1 0.808 0.02 . 1 . . . . 49 ILE HD11 . 6990 1 667 . 1 1 58 58 ILE HD13 H 1 0.808 0.02 . 1 . . . . 49 ILE HD11 . 6990 1 668 . 1 1 58 58 ILE HG12 H 1 1.405 0.02 . 1 . . . . 49 ILE HG11 . 6990 1 669 . 1 1 58 58 ILE HG13 H 1 1.060 0.02 . 1 . . . . 49 ILE HG12 . 6990 1 670 . 1 1 58 58 ILE HG21 H 1 0.660 0.02 . 1 . . . . 49 ILE HG21 . 6990 1 671 . 1 1 58 58 ILE HG22 H 1 0.660 0.02 . 1 . . . . 49 ILE HG21 . 6990 1 672 . 1 1 58 58 ILE HG23 H 1 0.660 0.02 . 1 . . . . 49 ILE HG21 . 6990 1 673 . 1 1 58 58 ILE C C 13 174.663 0.2 . 1 . . . . 49 ILE C . 6990 1 674 . 1 1 58 58 ILE CA C 13 60.934 0.2 . 1 . . . . 49 ILE CA . 6990 1 675 . 1 1 58 58 ILE CB C 13 37.972 0.2 . 1 . . . . 49 ILE CB . 6990 1 676 . 1 1 58 58 ILE CD1 C 13 14.692 0.2 . 1 . . . . 49 ILE CD1 . 6990 1 677 . 1 1 58 58 ILE CG1 C 13 26.700 0.2 . 1 . . . . 49 ILE CG1 . 6990 1 678 . 1 1 58 58 ILE CG2 C 13 16.846 0.2 . 1 . . . . 49 ILE CG2 . 6990 1 679 . 1 1 58 58 ILE N N 15 119.398 0.1 . 1 . . . . 49 ILE N . 6990 1 680 . 1 1 59 59 ALA H H 1 8.606 0.02 . 1 . . . . 50 ALA HN . 6990 1 681 . 1 1 59 59 ALA HA H 1 4.439 0.02 . 1 . . . . 50 ALA HA . 6990 1 682 . 1 1 59 59 ALA HB1 H 1 1.414 0.02 . 1 . . . . 50 ALA HB1 . 6990 1 683 . 1 1 59 59 ALA HB2 H 1 1.414 0.02 . 1 . . . . 50 ALA HB1 . 6990 1 684 . 1 1 59 59 ALA HB3 H 1 1.414 0.02 . 1 . . . . 50 ALA HB1 . 6990 1 685 . 1 1 59 59 ALA C C 13 177.259 0.2 . 1 . . . . 50 ALA C . 6990 1 686 . 1 1 59 59 ALA CA C 13 52.080 0.2 . 1 . . . . 50 ALA CA . 6990 1 687 . 1 1 59 59 ALA CB C 13 19.180 0.2 . 1 . . . . 50 ALA CB . 6990 1 688 . 1 1 59 59 ALA N N 15 131.458 0.1 . 1 . . . . 50 ALA N . 6990 1 689 . 1 1 60 60 GLY H H 1 7.241 0.02 . 1 . . . . 51 GLY HN . 6990 1 690 . 1 1 60 60 GLY HA2 H 1 3.984 0.02 . 2 . . . . 51 GLY HA1 . 6990 1 691 . 1 1 60 60 GLY HA3 H 1 4.167 0.02 . 2 . . . . 51 GLY HA2 . 6990 1 692 . 1 1 60 60 GLY C C 13 171.173 0.2 . 1 . . . . 51 GLY C . 6990 1 693 . 1 1 60 60 GLY CA C 13 44.514 0.2 . 1 . . . . 51 GLY CA . 6990 1 694 . 1 1 60 60 GLY N N 15 105.686 0.1 . 1 . . . . 51 GLY N . 6990 1 695 . 1 1 61 61 TRP H H 1 8.618 0.02 . 1 . . . . 52 TRP HN . 6990 1 696 . 1 1 61 61 TRP HA H 1 4.651 0.02 . 1 . . . . 52 TRP HA . 6990 1 697 . 1 1 61 61 TRP HB2 H 1 3.253 0.02 . 2 . . . . 52 TRP HB1 . 6990 1 698 . 1 1 61 61 TRP HB3 H 1 3.471 0.02 . 2 . . . . 52 TRP HB2 . 6990 1 699 . 1 1 61 61 TRP HD1 H 1 7.690 0.02 . 1 . . . . 52 TRP HD1 . 6990 1 700 . 1 1 61 61 TRP HE1 H 1 9.820 0.02 . 4 . . . . 52 TRP HE1 . 6990 1 701 . 1 1 61 61 TRP HE3 H 1 7.630 0.02 . 4 . . . . 52 TRP HE3 . 6990 1 702 . 1 1 61 61 TRP HH2 H 1 7.280 0.02 . 1 . . . . 52 TRP HH2 . 6990 1 703 . 1 1 61 61 TRP HZ2 H 1 7.330 0.02 . 4 . . . . 52 TRP HZ2 . 6990 1 704 . 1 1 61 61 TRP HZ3 H 1 7.260 0.02 . 4 . . . . 52 TRP HZ3 . 6990 1 705 . 1 1 61 61 TRP C C 13 177.692 0.2 . 1 . . . . 52 TRP C . 6990 1 706 . 1 1 61 61 TRP CA C 13 59.063 0.2 . 1 . . . . 52 TRP CA . 6990 1 707 . 1 1 61 61 TRP CB C 13 28.421 0.2 . 1 . . . . 52 TRP CB . 6990 1 708 . 1 1 61 61 TRP CD1 C 13 128.800 0.2 . 4 . . . . 52 TRP CD1 . 6990 1 709 . 1 1 61 61 TRP CE3 C 13 122.100 0.2 . 4 . . . . 52 TRP CE3 . 6990 1 710 . 1 1 61 61 TRP CH2 C 13 125.500 0.2 . 1 . . . . 52 TRP CH2 . 6990 1 711 . 1 1 61 61 TRP CZ2 C 13 115.100 0.2 . 4 . . . . 52 TRP CZ2 . 6990 1 712 . 1 1 61 61 TRP CZ3 C 13 123.200 0.2 . 4 . . . . 52 TRP CZ3 . 6990 1 713 . 1 1 61 61 TRP N N 15 121.531 0.1 . 1 . . . . 52 TRP N . 6990 1 714 . 1 1 61 61 TRP NE1 N 15 131.200 0.1 . 1 . . . . 52 TRP NE1 . 6990 1 715 . 1 1 62 62 ASP H H 1 8.144 0.02 . 1 . . . . 53 ASP HN . 6990 1 716 . 1 1 62 62 ASP HA H 1 3.980 0.02 . 1 . . . . 53 ASP HA . 6990 1 717 . 1 1 62 62 ASP HB2 H 1 0.032 0.02 . 2 . . . . 53 ASP HB1 . 6990 1 718 . 1 1 62 62 ASP HB3 H 1 2.300 0.02 . 2 . . . . 53 ASP HB2 . 6990 1 719 . 1 1 62 62 ASP C C 13 175.092 0.2 . 1 . . . . 53 ASP C . 6990 1 720 . 1 1 62 62 ASP CA C 13 54.856 0.2 . 1 . . . . 53 ASP CA . 6990 1 721 . 1 1 62 62 ASP CB C 13 39.708 0.2 . 1 . . . . 53 ASP CB . 6990 1 722 . 1 1 62 62 ASP N N 15 126.186 0.1 . 1 . . . . 53 ASP N . 6990 1 723 . 1 1 63 63 SER H H 1 6.840 0.02 . 1 . . . . 54 SER HN . 6990 1 724 . 1 1 63 63 SER HA H 1 4.458 0.02 . 1 . . . . 54 SER HA . 6990 1 725 . 1 1 63 63 SER HB2 H 1 3.865 0.02 . 2 . . . . 54 SER HB1 . 6990 1 726 . 1 1 63 63 SER HB3 H 1 4.193 0.02 . 2 . . . . 54 SER HB2 . 6990 1 727 . 1 1 63 63 SER CA C 13 55.879 0.2 . 1 . . . . 54 SER CA . 6990 1 728 . 1 1 63 63 SER CB C 13 65.280 0.2 . 1 . . . . 54 SER CB . 6990 1 729 . 1 1 63 63 SER N N 15 111.457 0.1 . 1 . . . . 54 SER N . 6990 1 730 . 1 1 64 64 PRO HA H 1 4.400 0.02 . 1 . . . . 55 PRO HA . 6990 1 731 . 1 1 64 64 PRO HB2 H 1 1.890 0.02 . 2 . . . . 55 PRO HB1 . 6990 1 732 . 1 1 64 64 PRO HB3 H 1 1.890 0.02 . 2 . . . . 55 PRO HB2 . 6990 1 733 . 1 1 64 64 PRO HD2 H 1 3.810 0.02 . 2 . . . . 55 PRO HD1 . 6990 1 734 . 1 1 64 64 PRO HD3 H 1 3.910 0.02 . 2 . . . . 55 PRO HD2 . 6990 1 735 . 1 1 64 64 PRO HG2 H 1 2.043 0.02 . 2 . . . . 55 PRO HG1 . 6990 1 736 . 1 1 64 64 PRO HG3 H 1 1.770 0.02 . 2 . . . . 55 PRO HG2 . 6990 1 737 . 1 1 64 64 PRO C C 13 177.376 0.2 . 1 . . . . 55 PRO C . 6990 1 738 . 1 1 64 64 PRO CA C 13 63.150 0.2 . 1 . . . . 55 PRO CA . 6990 1 739 . 1 1 64 64 PRO CD C 13 51.200 0.2 . 1 . . . . 55 PRO CD . 6990 1 740 . 1 1 64 64 PRO CG C 13 27.600 0.2 . 1 . . . . 55 PRO CG . 6990 1 741 . 1 1 65 65 SER H H 1 8.247 0.02 . 1 . . . . 56 SER HN . 6990 1 742 . 1 1 65 65 SER HA H 1 4.676 0.02 . 1 . . . . 56 SER HA . 6990 1 743 . 1 1 65 65 SER HB2 H 1 3.660 0.02 . 2 . . . . 56 SER HB1 . 6990 1 744 . 1 1 65 65 SER HB3 H 1 3.904 0.02 . 2 . . . . 56 SER HB2 . 6990 1 745 . 1 1 65 65 SER C C 13 176.244 0.2 . 1 . . . . 56 SER C . 6990 1 746 . 1 1 65 65 SER CA C 13 58.791 0.2 . 1 . . . . 56 SER CA . 6990 1 747 . 1 1 65 65 SER CB C 13 62.600 0.2 . 1 . . . . 56 SER CB . 6990 1 748 . 1 1 65 65 SER N N 15 113.543 0.1 . 1 . . . . 56 SER N . 6990 1 749 . 1 1 66 66 CYS H H 1 8.445 0.02 . 1 . . . . 57 CYS HN . 6990 1 750 . 1 1 66 66 CYS HA H 1 4.200 0.02 . 1 . . . . 57 CYS HA . 6990 1 751 . 1 1 66 66 CYS HB2 H 1 2.753 0.02 . 2 . . . . 57 CYS HB1 . 6990 1 752 . 1 1 66 66 CYS HB3 H 1 3.312 0.02 . 2 . . . . 57 CYS HB2 . 6990 1 753 . 1 1 66 66 CYS C C 13 175.750 0.2 . 1 . . . . 57 CYS C . 6990 1 754 . 1 1 66 66 CYS CA C 13 60.170 0.2 . 1 . . . . 57 CYS CA . 6990 1 755 . 1 1 66 66 CYS CB C 13 41.385 0.2 . 1 . . . . 57 CYS CB . 6990 1 756 . 1 1 66 66 CYS N N 15 126.193 0.1 . 1 . . . . 57 CYS N . 6990 1 757 . 1 1 67 67 GLY H H 1 8.936 0.02 . 1 . . . . 58 GLY HN . 6990 1 758 . 1 1 67 67 GLY HA2 H 1 3.675 0.02 . 2 . . . . 58 GLY HA1 . 6990 1 759 . 1 1 67 67 GLY HA3 H 1 4.692 0.02 . 2 . . . . 58 GLY HA2 . 6990 1 760 . 1 1 67 67 GLY C C 13 174.747 0.2 . 1 . . . . 58 GLY C . 6990 1 761 . 1 1 67 67 GLY CA C 13 45.627 0.2 . 1 . . . . 58 GLY CA . 6990 1 762 . 1 1 67 67 GLY N N 15 111.911 0.1 . 1 . . . . 58 GLY N . 6990 1 763 . 1 1 68 68 THR H H 1 7.715 0.02 . 1 . . . . 59 THR HN . 6990 1 764 . 1 1 68 68 THR HA H 1 4.374 0.02 . 1 . . . . 59 THR HA . 6990 1 765 . 1 1 68 68 THR HB H 1 4.478 0.02 . 1 . . . . 59 THR HB . 6990 1 766 . 1 1 68 68 THR HG21 H 1 1.463 0.02 . 1 . . . . 59 THR HG21 . 6990 1 767 . 1 1 68 68 THR HG22 H 1 1.463 0.02 . 1 . . . . 59 THR HG21 . 6990 1 768 . 1 1 68 68 THR HG23 H 1 1.463 0.02 . 1 . . . . 59 THR HG21 . 6990 1 769 . 1 1 68 68 THR C C 13 172.556 0.2 . 1 . . . . 59 THR C . 6990 1 770 . 1 1 68 68 THR CA C 13 62.260 0.2 . 1 . . . . 59 THR CA . 6990 1 771 . 1 1 68 68 THR CB C 13 71.166 0.2 . 1 . . . . 59 THR CB . 6990 1 772 . 1 1 68 68 THR CG2 C 13 23.054 0.2 . 1 . . . . 59 THR CG2 . 6990 1 773 . 1 1 68 68 THR N N 15 111.395 0.1 . 1 . . . . 59 THR N . 6990 1 774 . 1 1 69 69 CYS H H 1 9.557 0.02 . 1 . . . . 60 CYS HN . 6990 1 775 . 1 1 69 69 CYS HA H 1 5.523 0.02 . 1 . . . . 60 CYS HA . 6990 1 776 . 1 1 69 69 CYS HB2 H 1 2.728 0.02 . 2 . . . . 60 CYS HB1 . 6990 1 777 . 1 1 69 69 CYS HB3 H 1 3.059 0.02 . 2 . . . . 60 CYS HB2 . 6990 1 778 . 1 1 69 69 CYS C C 13 172.254 0.2 . 1 . . . . 60 CYS C . 6990 1 779 . 1 1 69 69 CYS CA C 13 54.697 0.2 . 1 . . . . 60 CYS CA . 6990 1 780 . 1 1 69 69 CYS CB C 13 44.172 0.2 . 1 . . . . 60 CYS CB . 6990 1 781 . 1 1 69 69 CYS N N 15 123.127 0.1 . 1 . . . . 60 CYS N . 6990 1 782 . 1 1 70 70 TRP H H 1 9.366 0.02 . 1 . . . . 61 TRP HN . 6990 1 783 . 1 1 70 70 TRP HA H 1 5.026 0.02 . 1 . . . . 61 TRP HA . 6990 1 784 . 1 1 70 70 TRP HB2 H 1 3.030 0.02 . 2 . . . . 61 TRP HB1 . 6990 1 785 . 1 1 70 70 TRP HB3 H 1 3.220 0.02 . 2 . . . . 61 TRP HB2 . 6990 1 786 . 1 1 70 70 TRP HD1 H 1 7.390 0.02 . 1 . . . . 61 TRP HD1 . 6990 1 787 . 1 1 70 70 TRP HE1 H 1 11.060 0.02 . 4 . . . . 61 TRP HE1 . 6990 1 788 . 1 1 70 70 TRP HE3 H 1 7.620 0.02 . 4 . . . . 61 TRP HE3 . 6990 1 789 . 1 1 70 70 TRP HH2 H 1 7.350 0.02 . 1 . . . . 61 TRP HH2 . 6990 1 790 . 1 1 70 70 TRP HZ2 H 1 7.390 0.02 . 4 . . . . 61 TRP HZ2 . 6990 1 791 . 1 1 70 70 TRP HZ3 H 1 7.310 0.02 . 4 . . . . 61 TRP HZ3 . 6990 1 792 . 1 1 70 70 TRP C C 13 175.076 0.2 . 1 . . . . 61 TRP C . 6990 1 793 . 1 1 70 70 TRP CA C 13 56.270 0.2 . 1 . . . . 61 TRP CA . 6990 1 794 . 1 1 70 70 TRP CB C 13 31.510 0.2 . 1 . . . . 61 TRP CB . 6990 1 795 . 1 1 70 70 TRP CD1 C 13 128.100 0.2 . 4 . . . . 61 TRP CD1 . 6990 1 796 . 1 1 70 70 TRP CE3 C 13 120.200 0.2 . 4 . . . . 61 TRP CE3 . 6990 1 797 . 1 1 70 70 TRP CH2 C 13 126.500 0.2 . 1 . . . . 61 TRP CH2 . 6990 1 798 . 1 1 70 70 TRP CZ2 C 13 114.700 0.2 . 4 . . . . 61 TRP CZ2 . 6990 1 799 . 1 1 70 70 TRP CZ3 C 13 123.400 0.2 . 4 . . . . 61 TRP CZ3 . 6990 1 800 . 1 1 70 70 TRP N N 15 130.835 0.1 . 1 . . . . 61 TRP N . 6990 1 801 . 1 1 70 70 TRP NE1 N 15 134.700 0.1 . 1 . . . . 61 TRP NE1 . 6990 1 802 . 1 1 71 71 LYS H H 1 9.682 0.02 . 1 . . . . 62 LYS HN . 6990 1 803 . 1 1 71 71 LYS HA H 1 4.745 0.02 . 1 . . . . 62 LYS HA . 6990 1 804 . 1 1 71 71 LYS HB2 H 1 1.655 0.02 . 2 . . . . 62 LYS HB1 . 6990 1 805 . 1 1 71 71 LYS HB3 H 1 1.940 0.02 . 2 . . . . 62 LYS HB2 . 6990 1 806 . 1 1 71 71 LYS HD2 H 1 1.545 0.02 . 2 . . . . 62 LYS HD1 . 6990 1 807 . 1 1 71 71 LYS HD3 H 1 1.494 0.02 . 2 . . . . 62 LYS HD2 . 6990 1 808 . 1 1 71 71 LYS HE2 H 1 2.660 0.02 . 2 . . . . 62 LYS HE1 . 6990 1 809 . 1 1 71 71 LYS HE3 H 1 2.660 0.02 . 2 . . . . 62 LYS HE2 . 6990 1 810 . 1 1 71 71 LYS HG2 H 1 0.560 0.02 . 2 . . . . 62 LYS HG1 . 6990 1 811 . 1 1 71 71 LYS HG3 H 1 0.852 0.02 . 2 . . . . 62 LYS HG2 . 6990 1 812 . 1 1 71 71 LYS C C 13 176.287 0.2 . 1 . . . . 62 LYS C . 6990 1 813 . 1 1 71 71 LYS CA C 13 55.652 0.2 . 1 . . . . 62 LYS CA . 6990 1 814 . 1 1 71 71 LYS CB C 13 34.250 0.2 . 1 . . . . 62 LYS CB . 6990 1 815 . 1 1 71 71 LYS CD C 13 29.082 0.2 . 1 . . . . 62 LYS CD . 6990 1 816 . 1 1 71 71 LYS CE C 13 41.580 0.2 . 1 . . . . 62 LYS CE . 6990 1 817 . 1 1 71 71 LYS CG C 13 25.070 0.2 . 1 . . . . 62 LYS CG . 6990 1 818 . 1 1 71 71 LYS N N 15 126.920 0.1 . 1 . . . . 62 LYS N . 6990 1 819 . 1 1 72 72 VAL H H 1 9.003 0.02 . 1 . . . . 63 VAL HN . 6990 1 820 . 1 1 72 72 VAL HA H 1 4.620 0.02 . 1 . . . . 63 VAL HA . 6990 1 821 . 1 1 72 72 VAL HB H 1 1.562 0.02 . 1 . . . . 63 VAL HB . 6990 1 822 . 1 1 72 72 VAL HG11 H 1 0.307 0.02 . 2 . . . . 63 VAL HG11 . 6990 1 823 . 1 1 72 72 VAL HG12 H 1 0.307 0.02 . 2 . . . . 63 VAL HG11 . 6990 1 824 . 1 1 72 72 VAL HG13 H 1 0.307 0.02 . 2 . . . . 63 VAL HG11 . 6990 1 825 . 1 1 72 72 VAL HG21 H 1 0.052 0.02 . 2 . . . . 63 VAL HG21 . 6990 1 826 . 1 1 72 72 VAL HG22 H 1 0.052 0.02 . 2 . . . . 63 VAL HG21 . 6990 1 827 . 1 1 72 72 VAL HG23 H 1 0.052 0.02 . 2 . . . . 63 VAL HG21 . 6990 1 828 . 1 1 72 72 VAL C C 13 174.674 0.2 . 1 . . . . 63 VAL C . 6990 1 829 . 1 1 72 72 VAL CA C 13 61.109 0.2 . 1 . . . . 63 VAL CA . 6990 1 830 . 1 1 72 72 VAL CB C 13 33.170 0.2 . 1 . . . . 63 VAL CB . 6990 1 831 . 1 1 72 72 VAL CG1 C 13 20.792 0.2 . 1 . . . . 63 VAL CG1 . 6990 1 832 . 1 1 72 72 VAL CG2 C 13 20.548 0.2 . 1 . . . . 63 VAL CG2 . 6990 1 833 . 1 1 72 72 VAL N N 15 132.952 0.1 . 1 . . . . 63 VAL N . 6990 1 834 . 1 1 73 73 THR H H 1 8.799 0.02 . 1 . . . . 64 THR HN . 6990 1 835 . 1 1 73 73 THR HA H 1 5.120 0.02 . 1 . . . . 64 THR HA . 6990 1 836 . 1 1 73 73 THR HB H 1 3.766 0.02 . 1 . . . . 64 THR HB . 6990 1 837 . 1 1 73 73 THR HG21 H 1 1.156 0.02 . 1 . . . . 64 THR HG21 . 6990 1 838 . 1 1 73 73 THR HG22 H 1 1.156 0.02 . 1 . . . . 64 THR HG21 . 6990 1 839 . 1 1 73 73 THR HG23 H 1 1.156 0.02 . 1 . . . . 64 THR HG21 . 6990 1 840 . 1 1 73 73 THR C C 13 175.514 0.2 . 1 . . . . 64 THR C . 6990 1 841 . 1 1 73 73 THR CA C 13 61.160 0.2 . 1 . . . . 64 THR CA . 6990 1 842 . 1 1 73 73 THR CB C 13 71.312 0.2 . 1 . . . . 64 THR CB . 6990 1 843 . 1 1 73 73 THR CG2 C 13 21.050 0.2 . 1 . . . . 64 THR CG2 . 6990 1 844 . 1 1 73 73 THR N N 15 123.580 0.1 . 1 . . . . 64 THR N . 6990 1 845 . 1 1 74 74 ILE H H 1 8.335 0.02 . 1 . . . . 65 ILE HN . 6990 1 846 . 1 1 74 74 ILE HA H 1 4.688 0.02 . 1 . . . . 65 ILE HA . 6990 1 847 . 1 1 74 74 ILE HB H 1 2.190 0.02 . 1 . . . . 65 ILE HB . 6990 1 848 . 1 1 74 74 ILE HD11 H 1 0.879 0.02 . 1 . . . . 65 ILE HD11 . 6990 1 849 . 1 1 74 74 ILE HD12 H 1 0.879 0.02 . 1 . . . . 65 ILE HD11 . 6990 1 850 . 1 1 74 74 ILE HD13 H 1 0.879 0.02 . 1 . . . . 65 ILE HD11 . 6990 1 851 . 1 1 74 74 ILE HG12 H 1 1.500 0.02 . 1 . . . . 65 ILE HG11 . 6990 1 852 . 1 1 74 74 ILE HG13 H 1 1.150 0.02 . 1 . . . . 65 ILE HG12 . 6990 1 853 . 1 1 74 74 ILE HG21 H 1 0.784 0.02 . 1 . . . . 65 ILE HG21 . 6990 1 854 . 1 1 74 74 ILE HG22 H 1 0.784 0.02 . 1 . . . . 65 ILE HG21 . 6990 1 855 . 1 1 74 74 ILE HG23 H 1 0.784 0.02 . 1 . . . . 65 ILE HG21 . 6990 1 856 . 1 1 74 74 ILE C C 13 175.824 0.2 . 1 . . . . 65 ILE C . 6990 1 857 . 1 1 74 74 ILE CA C 13 59.724 0.2 . 1 . . . . 65 ILE CA . 6990 1 858 . 1 1 74 74 ILE CB C 13 36.770 0.2 . 1 . . . . 65 ILE CB . 6990 1 859 . 1 1 74 74 ILE CD1 C 13 14.715 0.2 . 1 . . . . 65 ILE CD1 . 6990 1 860 . 1 1 74 74 ILE CG1 C 13 26.120 0.2 . 1 . . . . 65 ILE CG1 . 6990 1 861 . 1 1 74 74 ILE CG2 C 13 18.529 0.2 . 1 . . . . 65 ILE CG2 . 6990 1 862 . 1 1 74 74 ILE N N 15 122.992 0.1 . 1 . . . . 65 ILE N . 6990 1 863 . 1 1 75 75 PRO HA H 1 4.287 0.02 . 1 . . . . 66 PRO HA . 6990 1 864 . 1 1 75 75 PRO HB2 H 1 1.931 0.02 . 2 . . . . 66 PRO HB1 . 6990 1 865 . 1 1 75 75 PRO HB3 H 1 2.452 0.02 . 2 . . . . 66 PRO HB2 . 6990 1 866 . 1 1 75 75 PRO HD2 H 1 3.680 0.02 . 2 . . . . 66 PRO HD1 . 6990 1 867 . 1 1 75 75 PRO HD3 H 1 3.770 0.02 . 2 . . . . 66 PRO HD2 . 6990 1 868 . 1 1 75 75 PRO HG2 H 1 2.280 0.02 . 2 . . . . 66 PRO HG1 . 6990 1 869 . 1 1 75 75 PRO HG3 H 1 2.140 0.02 . 2 . . . . 66 PRO HG2 . 6990 1 870 . 1 1 75 75 PRO C C 13 177.513 0.2 . 1 . . . . 66 PRO C . 6990 1 871 . 1 1 75 75 PRO CA C 13 66.400 0.2 . 1 . . . . 66 PRO CA . 6990 1 872 . 1 1 75 75 PRO CB C 13 31.600 0.2 . 1 . . . . 66 PRO CB . 6990 1 873 . 1 1 75 75 PRO CD C 13 51.600 0.2 . 1 . . . . 66 PRO CD . 6990 1 874 . 1 1 75 75 PRO CG C 13 28.200 0.2 . 1 . . . . 66 PRO CG . 6990 1 875 . 1 1 76 76 ASN H H 1 8.147 0.02 . 1 . . . . 67 ASN HN . 6990 1 876 . 1 1 76 76 ASN HA H 1 4.495 0.02 . 1 . . . . 67 ASN HA . 6990 1 877 . 1 1 76 76 ASN HB2 H 1 2.877 0.02 . 2 . . . . 67 ASN HB1 . 6990 1 878 . 1 1 76 76 ASN HB3 H 1 3.195 0.02 . 2 . . . . 67 ASN HB2 . 6990 1 879 . 1 1 76 76 ASN HD21 H 1 7.333 0.02 . 2 . . . . 67 ASN HD21 . 6990 1 880 . 1 1 76 76 ASN HD22 H 1 6.432 0.02 . 2 . . . . 67 ASN HD22 . 6990 1 881 . 1 1 76 76 ASN C C 13 176.724 0.2 . 1 . . . . 67 ASN C . 6990 1 882 . 1 1 76 76 ASN CA C 13 53.333 0.2 . 1 . . . . 67 ASN CA . 6990 1 883 . 1 1 76 76 ASN CB C 13 36.778 0.2 . 1 . . . . 67 ASN CB . 6990 1 884 . 1 1 76 76 ASN CG C 13 175.125 0.2 . 1 . . . . 67 ASN CG . 6990 1 885 . 1 1 76 76 ASN N N 15 115.543 0.1 . 1 . . . . 67 ASN N . 6990 1 886 . 1 1 76 76 ASN ND2 N 15 109.207 0.1 . 1 . . . . 67 ASN ND2 . 6990 1 887 . 1 1 77 77 GLY H H 1 8.701 0.02 . 1 . . . . 68 GLY HN . 6990 1 888 . 1 1 77 77 GLY HA2 H 1 4.286 0.02 . 2 . . . . 68 GLY HA1 . 6990 1 889 . 1 1 77 77 GLY HA3 H 1 3.613 0.02 . 2 . . . . 68 GLY HA2 . 6990 1 890 . 1 1 77 77 GLY C C 13 174.652 0.2 . 1 . . . . 68 GLY C . 6990 1 891 . 1 1 77 77 GLY CA C 13 44.580 0.2 . 1 . . . . 68 GLY CA . 6990 1 892 . 1 1 77 77 GLY N N 15 110.760 0.1 . 1 . . . . 68 GLY N . 6990 1 893 . 1 1 78 78 ASN H H 1 8.363 0.02 . 1 . . . . 69 ASN HN . 6990 1 894 . 1 1 78 78 ASN HA H 1 4.630 0.02 . 1 . . . . 69 ASN HA . 6990 1 895 . 1 1 78 78 ASN HB2 H 1 2.870 0.02 . 2 . . . . 69 ASN HB1 . 6990 1 896 . 1 1 78 78 ASN HB3 H 1 2.870 0.02 . 2 . . . . 69 ASN HB2 . 6990 1 897 . 1 1 78 78 ASN HD21 H 1 7.739 0.02 . 2 . . . . 69 ASN HD21 . 6990 1 898 . 1 1 78 78 ASN HD22 H 1 6.849 0.02 . 2 . . . . 69 ASN HD22 . 6990 1 899 . 1 1 78 78 ASN C C 13 173.763 0.2 . 1 . . . . 69 ASN C . 6990 1 900 . 1 1 78 78 ASN CA C 13 53.405 0.2 . 1 . . . . 69 ASN CA . 6990 1 901 . 1 1 78 78 ASN CB C 13 38.214 0.2 . 1 . . . . 69 ASN CB . 6990 1 902 . 1 1 78 78 ASN CG C 13 175.174 0.2 . 1 . . . . 69 ASN CG . 6990 1 903 . 1 1 78 78 ASN N N 15 124.237 0.1 . 1 . . . . 69 ASN N . 6990 1 904 . 1 1 78 78 ASN ND2 N 15 112.084 0.1 . 1 . . . . 69 ASN ND2 . 6990 1 905 . 1 1 79 79 SER H H 1 7.968 0.02 . 1 . . . . 70 SER HN . 6990 1 906 . 1 1 79 79 SER HA H 1 5.745 0.02 . 1 . . . . 70 SER HA . 6990 1 907 . 1 1 79 79 SER HB2 H 1 3.300 0.02 . 2 . . . . 70 SER HB1 . 6990 1 908 . 1 1 79 79 SER HB3 H 1 3.417 0.02 . 2 . . . . 70 SER HB2 . 6990 1 909 . 1 1 79 79 SER C C 13 173.075 0.2 . 1 . . . . 70 SER C . 6990 1 910 . 1 1 79 79 SER CA C 13 56.364 0.2 . 1 . . . . 70 SER CA . 6990 1 911 . 1 1 79 79 SER CB C 13 67.495 0.2 . 1 . . . . 70 SER CB . 6990 1 912 . 1 1 79 79 SER N N 15 114.542 0.1 . 1 . . . . 70 SER N . 6990 1 913 . 1 1 80 80 ILE H H 1 8.375 0.02 . 1 . . . . 71 ILE HN . 6990 1 914 . 1 1 80 80 ILE HA H 1 4.247 0.02 . 1 . . . . 71 ILE HA . 6990 1 915 . 1 1 80 80 ILE HB H 1 1.634 0.02 . 1 . . . . 71 ILE HB . 6990 1 916 . 1 1 80 80 ILE HD11 H 1 0.801 0.02 . 1 . . . . 71 ILE HD11 . 6990 1 917 . 1 1 80 80 ILE HD12 H 1 0.801 0.02 . 1 . . . . 71 ILE HD11 . 6990 1 918 . 1 1 80 80 ILE HD13 H 1 0.801 0.02 . 1 . . . . 71 ILE HD11 . 6990 1 919 . 1 1 80 80 ILE HG12 H 1 1.159 0.02 . 1 . . . . 71 ILE HG11 . 6990 1 920 . 1 1 80 80 ILE HG13 H 1 1.021 0.02 . 1 . . . . 71 ILE HG12 . 6990 1 921 . 1 1 80 80 ILE HG21 H 1 0.676 0.02 . 1 . . . . 71 ILE HG21 . 6990 1 922 . 1 1 80 80 ILE HG22 H 1 0.676 0.02 . 1 . . . . 71 ILE HG21 . 6990 1 923 . 1 1 80 80 ILE HG23 H 1 0.676 0.02 . 1 . . . . 71 ILE HG21 . 6990 1 924 . 1 1 80 80 ILE C C 13 171.810 0.2 . 1 . . . . 71 ILE C . 6990 1 925 . 1 1 80 80 ILE CA C 13 60.173 0.2 . 1 . . . . 71 ILE CA . 6990 1 926 . 1 1 80 80 ILE CB C 13 42.260 0.2 . 1 . . . . 71 ILE CB . 6990 1 927 . 1 1 80 80 ILE CD1 C 13 15.633 0.2 . 1 . . . . 71 ILE CD1 . 6990 1 928 . 1 1 80 80 ILE CG1 C 13 28.251 0.2 . 1 . . . . 71 ILE CG1 . 6990 1 929 . 1 1 80 80 ILE CG2 C 13 16.792 0.2 . 1 . . . . 71 ILE CG2 . 6990 1 930 . 1 1 80 80 ILE N N 15 120.742 0.1 . 1 . . . . 71 ILE N . 6990 1 931 . 1 1 81 81 PHE H H 1 8.178 0.02 . 1 . . . . 72 PHE HN . 6990 1 932 . 1 1 81 81 PHE HA H 1 5.691 0.02 . 1 . . . . 72 PHE HA . 6990 1 933 . 1 1 81 81 PHE HB2 H 1 2.910 0.02 . 2 . . . . 72 PHE HB1 . 6990 1 934 . 1 1 81 81 PHE HB3 H 1 3.125 0.02 . 2 . . . . 72 PHE HB2 . 6990 1 935 . 1 1 81 81 PHE HD1 H 1 7.199 0.02 . 3 . . . . 72 PHE HD1 . 6990 1 936 . 1 1 81 81 PHE HD2 H 1 7.199 0.02 . 3 . . . . 72 PHE HD2 . 6990 1 937 . 1 1 81 81 PHE HE1 H 1 7.265 0.02 . 3 . . . . 72 PHE HE1 . 6990 1 938 . 1 1 81 81 PHE HE2 H 1 7.265 0.02 . 3 . . . . 72 PHE HE2 . 6990 1 939 . 1 1 81 81 PHE C C 13 175.490 0.2 . 1 . . . . 72 PHE C . 6990 1 940 . 1 1 81 81 PHE CA C 13 56.480 0.2 . 1 . . . . 72 PHE CA . 6990 1 941 . 1 1 81 81 PHE CB C 13 39.490 0.2 . 1 . . . . 72 PHE CB . 6990 1 942 . 1 1 81 81 PHE CD1 C 13 133.100 0.2 . 3 . . . . 72 PHE CD1 . 6990 1 943 . 1 1 81 81 PHE CD2 C 13 133.100 0.2 . 3 . . . . 72 PHE CD2 . 6990 1 944 . 1 1 81 81 PHE N N 15 123.920 0.1 . 1 . . . . 72 PHE N . 6990 1 945 . 1 1 82 82 ILE H H 1 9.629 0.02 . 1 . . . . 73 ILE HN . 6990 1 946 . 1 1 82 82 ILE HA H 1 4.444 0.02 . 1 . . . . 73 ILE HA . 6990 1 947 . 1 1 82 82 ILE HB H 1 1.845 0.02 . 1 . . . . 73 ILE HB . 6990 1 948 . 1 1 82 82 ILE HD11 H 1 0.531 0.02 . 1 . . . . 73 ILE HD11 . 6990 1 949 . 1 1 82 82 ILE HD12 H 1 0.531 0.02 . 1 . . . . 73 ILE HD11 . 6990 1 950 . 1 1 82 82 ILE HD13 H 1 0.531 0.02 . 1 . . . . 73 ILE HD11 . 6990 1 951 . 1 1 82 82 ILE HG12 H 1 1.391 0.02 . 1 . . . . 73 ILE HG11 . 6990 1 952 . 1 1 82 82 ILE HG13 H 1 1.039 0.02 . 1 . . . . 73 ILE HG12 . 6990 1 953 . 1 1 82 82 ILE HG21 H 1 0.610 0.02 . 1 . . . . 73 ILE HG21 . 6990 1 954 . 1 1 82 82 ILE HG22 H 1 0.610 0.02 . 1 . . . . 73 ILE HG21 . 6990 1 955 . 1 1 82 82 ILE HG23 H 1 0.610 0.02 . 1 . . . . 73 ILE HG21 . 6990 1 956 . 1 1 82 82 ILE C C 13 174.774 0.2 . 1 . . . . 73 ILE C . 6990 1 957 . 1 1 82 82 ILE CA C 13 56.226 0.2 . 1 . . . . 73 ILE CA . 6990 1 958 . 1 1 82 82 ILE CB C 13 40.700 0.2 . 1 . . . . 73 ILE CB . 6990 1 959 . 1 1 82 82 ILE CD1 C 13 10.199 0.2 . 1 . . . . 73 ILE CD1 . 6990 1 960 . 1 1 82 82 ILE CG1 C 13 26.750 0.2 . 1 . . . . 73 ILE CG1 . 6990 1 961 . 1 1 82 82 ILE CG2 C 13 17.300 0.2 . 1 . . . . 73 ILE CG2 . 6990 1 962 . 1 1 82 82 ILE N N 15 124.189 0.1 . 1 . . . . 73 ILE N . 6990 1 963 . 1 1 83 83 ARG H H 1 8.991 0.02 . 1 . . . . 74 ARG HN . 6990 1 964 . 1 1 83 83 ARG HA H 1 5.620 0.02 . 1 . . . . 74 ARG HA . 6990 1 965 . 1 1 83 83 ARG HB2 H 1 1.670 0.02 . 2 . . . . 74 ARG HB1 . 6990 1 966 . 1 1 83 83 ARG HB3 H 1 1.910 0.02 . 2 . . . . 74 ARG HB2 . 6990 1 967 . 1 1 83 83 ARG HD2 H 1 2.837 0.02 . 2 . . . . 74 ARG HD1 . 6990 1 968 . 1 1 83 83 ARG HD3 H 1 3.015 0.02 . 2 . . . . 74 ARG HD2 . 6990 1 969 . 1 1 83 83 ARG HE H 1 6.943 0.02 . 1 . . . . 74 ARG HE . 6990 1 970 . 1 1 83 83 ARG HG2 H 1 1.396 0.02 . 2 . . . . 74 ARG HG1 . 6990 1 971 . 1 1 83 83 ARG HG3 H 1 1.588 0.02 . 2 . . . . 74 ARG HG2 . 6990 1 972 . 1 1 83 83 ARG C C 13 176.842 0.2 . 1 . . . . 74 ARG C . 6990 1 973 . 1 1 83 83 ARG CA C 13 54.640 0.2 . 1 . . . . 74 ARG CA . 6990 1 974 . 1 1 83 83 ARG CB C 13 32.600 0.2 . 1 . . . . 74 ARG CB . 6990 1 975 . 1 1 83 83 ARG CD C 13 45.046 0.2 . 1 . . . . 74 ARG CD . 6990 1 976 . 1 1 83 83 ARG CG C 13 27.977 0.2 . 1 . . . . 74 ARG CG . 6990 1 977 . 1 1 83 83 ARG N N 15 130.036 0.1 . 1 . . . . 74 ARG N . 6990 1 978 . 1 1 84 84 GLY H H 1 9.764 0.02 . 1 . . . . 75 GLY HN . 6990 1 979 . 1 1 84 84 GLY HA2 H 1 3.401 0.02 . 2 . . . . 75 GLY HA1 . 6990 1 980 . 1 1 84 84 GLY HA3 H 1 4.594 0.02 . 2 . . . . 75 GLY HA2 . 6990 1 981 . 1 1 84 84 GLY C C 13 174.386 0.2 . 1 . . . . 75 GLY C . 6990 1 982 . 1 1 84 84 GLY CA C 13 47.500 0.2 . 1 . . . . 75 GLY CA . 6990 1 983 . 1 1 84 84 GLY N N 15 114.595 0.1 . 1 . . . . 75 GLY N . 6990 1 984 . 1 1 85 85 VAL H H 1 8.542 0.02 . 1 . . . . 76 VAL HN . 6990 1 985 . 1 1 85 85 VAL HA H 1 4.722 0.02 . 1 . . . . 76 VAL HA . 6990 1 986 . 1 1 85 85 VAL HB H 1 2.520 0.02 . 1 . . . . 76 VAL HB . 6990 1 987 . 1 1 85 85 VAL HG11 H 1 0.672 0.02 . 2 . . . . 76 VAL HG11 . 6990 1 988 . 1 1 85 85 VAL HG12 H 1 0.672 0.02 . 2 . . . . 76 VAL HG11 . 6990 1 989 . 1 1 85 85 VAL HG13 H 1 0.672 0.02 . 2 . . . . 76 VAL HG11 . 6990 1 990 . 1 1 85 85 VAL HG21 H 1 0.865 0.02 . 2 . . . . 76 VAL HG21 . 6990 1 991 . 1 1 85 85 VAL HG22 H 1 0.865 0.02 . 2 . . . . 76 VAL HG21 . 6990 1 992 . 1 1 85 85 VAL HG23 H 1 0.865 0.02 . 2 . . . . 76 VAL HG21 . 6990 1 993 . 1 1 85 85 VAL C C 13 172.405 0.2 . 1 . . . . 76 VAL C . 6990 1 994 . 1 1 85 85 VAL CA C 13 60.080 0.2 . 1 . . . . 76 VAL CA . 6990 1 995 . 1 1 85 85 VAL CB C 13 34.300 0.2 . 1 . . . . 76 VAL CB . 6990 1 996 . 1 1 85 85 VAL CG1 C 13 16.830 0.2 . 1 . . . . 76 VAL CG1 . 6990 1 997 . 1 1 85 85 VAL CG2 C 13 20.350 0.2 . 1 . . . . 76 VAL CG2 . 6990 1 998 . 1 1 85 85 VAL N N 15 116.330 0.1 . 1 . . . . 76 VAL N . 6990 1 999 . 1 1 86 86 ASP H H 1 7.498 0.02 . 1 . . . . 77 ASP HN . 6990 1 1000 . 1 1 86 86 ASP HA H 1 5.245 0.02 . 1 . . . . 77 ASP HA . 6990 1 1001 . 1 1 86 86 ASP HB2 H 1 2.680 0.02 . 2 . . . . 77 ASP HB1 . 6990 1 1002 . 1 1 86 86 ASP HB3 H 1 2.430 0.02 . 2 . . . . 77 ASP HB2 . 6990 1 1003 . 1 1 86 86 ASP C C 13 174.154 0.2 . 1 . . . . 77 ASP C . 6990 1 1004 . 1 1 86 86 ASP CA C 13 51.500 0.2 . 1 . . . . 77 ASP CA . 6990 1 1005 . 1 1 86 86 ASP CB C 13 44.540 0.2 . 1 . . . . 77 ASP CB . 6990 1 1006 . 1 1 86 86 ASP N N 15 117.246 0.1 . 1 . . . . 77 ASP N . 6990 1 1007 . 1 1 87 87 SER H H 1 8.079 0.02 . 1 . . . . 78 SER HN . 6990 1 1008 . 1 1 87 87 SER HA H 1 4.851 0.02 . 1 . . . . 78 SER HA . 6990 1 1009 . 1 1 87 87 SER HB2 H 1 3.719 0.02 . 2 . . . . 78 SER HB2 . 6990 1 1010 . 1 1 87 87 SER C C 13 176.305 0.2 . 1 . . . . 78 SER C . 6990 1 1011 . 1 1 87 87 SER CA C 13 57.276 0.2 . 1 . . . . 78 SER CA . 6990 1 1012 . 1 1 87 87 SER CB C 13 63.675 0.2 . 1 . . . . 78 SER CB . 6990 1 1013 . 1 1 87 87 SER N N 15 118.575 0.1 . 1 . . . . 78 SER N . 6990 1 1014 . 1 1 88 88 GLY H H 1 8.073 0.02 . 1 . . . . 79 GLY HN . 6990 1 1015 . 1 1 88 88 GLY HA2 H 1 3.813 0.02 . 2 . . . . 79 GLY HA1 . 6990 1 1016 . 1 1 88 88 GLY HA3 H 1 3.525 0.02 . 2 . . . . 79 GLY HA2 . 6990 1 1017 . 1 1 88 88 GLY C C 13 173.600 0.2 . 1 . . . . 79 GLY C . 6990 1 1018 . 1 1 88 88 GLY CA C 13 44.220 0.2 . 1 . . . . 79 GLY CA . 6990 1 1019 . 1 1 88 88 GLY N N 15 117.152 0.1 . 1 . . . . 79 GLY N . 6990 1 1020 . 1 1 89 89 ARG H H 1 8.663 0.02 . 1 . . . . 80 ARG HN . 6990 1 1021 . 1 1 89 89 ARG HA H 1 3.869 0.02 . 1 . . . . 80 ARG HA . 6990 1 1022 . 1 1 89 89 ARG HB2 H 1 1.460 0.02 . 2 . . . . 80 ARG HB1 . 6990 1 1023 . 1 1 89 89 ARG HB3 H 1 1.826 0.02 . 2 . . . . 80 ARG HB2 . 6990 1 1024 . 1 1 89 89 ARG HD2 H 1 3.190 0.02 . 2 . . . . 80 ARG HD1 . 6990 1 1025 . 1 1 89 89 ARG HD3 H 1 3.190 0.02 . 2 . . . . 80 ARG HD2 . 6990 1 1026 . 1 1 89 89 ARG HG2 H 1 1.527 0.02 . 2 . . . . 80 ARG HG1 . 6990 1 1027 . 1 1 89 89 ARG HG3 H 1 1.527 0.02 . 2 . . . . 80 ARG HG2 . 6990 1 1028 . 1 1 89 89 ARG C C 13 177.113 0.2 . 1 . . . . 80 ARG C . 6990 1 1029 . 1 1 89 89 ARG CA C 13 56.340 0.2 . 1 . . . . 80 ARG CA . 6990 1 1030 . 1 1 89 89 ARG CB C 13 27.315 0.2 . 1 . . . . 80 ARG CB . 6990 1 1031 . 1 1 89 89 ARG CD C 13 43.221 0.2 . 1 . . . . 80 ARG CD . 6990 1 1032 . 1 1 89 89 ARG N N 15 121.717 0.1 . 1 . . . . 80 ARG N . 6990 1 1033 . 1 1 90 90 GLY H H 1 8.487 0.02 . 1 . . . . 81 GLY HN . 6990 1 1034 . 1 1 90 90 GLY HA2 H 1 4.220 0.02 . 2 . . . . 81 GLY HA1 . 6990 1 1035 . 1 1 90 90 GLY HA3 H 1 3.550 0.02 . 2 . . . . 81 GLY HA2 . 6990 1 1036 . 1 1 90 90 GLY C C 13 173.990 0.2 . 1 . . . . 81 GLY C . 6990 1 1037 . 1 1 90 90 GLY CA C 13 44.640 0.2 . 1 . . . . 81 GLY CA . 6990 1 1038 . 1 1 90 90 GLY N N 15 106.235 0.1 . 1 . . . . 81 GLY N . 6990 1 1039 . 1 1 91 91 GLY H H 1 7.115 0.02 . 1 . . . . 82 GLY HN . 6990 1 1040 . 1 1 91 91 GLY HA2 H 1 3.724 0.02 . 2 . . . . 82 GLY HA1 . 6990 1 1041 . 1 1 91 91 GLY HA3 H 1 4.164 0.02 . 2 . . . . 82 GLY HA2 . 6990 1 1042 . 1 1 91 91 GLY C C 13 170.962 0.2 . 1 . . . . 82 GLY C . 6990 1 1043 . 1 1 91 91 GLY CA C 13 44.100 0.2 . 1 . . . . 82 GLY CA . 6990 1 1044 . 1 1 91 91 GLY N N 15 109.529 0.1 . 1 . . . . 82 GLY N . 6990 1 1045 . 1 1 92 92 PHE H H 1 8.261 0.02 . 1 . . . . 83 PHE HN . 6990 1 1046 . 1 1 92 92 PHE HA H 1 4.931 0.02 . 1 . . . . 83 PHE HA . 6990 1 1047 . 1 1 92 92 PHE HB2 H 1 2.830 0.02 . 2 . . . . 83 PHE HB1 . 6990 1 1048 . 1 1 92 92 PHE HB3 H 1 2.630 0.02 . 2 . . . . 83 PHE HB2 . 6990 1 1049 . 1 1 92 92 PHE HD1 H 1 6.815 0.02 . 3 . . . . 83 PHE HD1 . 6990 1 1050 . 1 1 92 92 PHE HD2 H 1 6.815 0.02 . 3 . . . . 83 PHE HD2 . 6990 1 1051 . 1 1 92 92 PHE HE1 H 1 6.400 0.02 . 3 . . . . 83 PHE HE1 . 6990 1 1052 . 1 1 92 92 PHE HE2 H 1 6.400 0.02 . 3 . . . . 83 PHE HE2 . 6990 1 1053 . 1 1 92 92 PHE HZ H 1 6.943 0.02 . 1 . . . . 83 PHE HZ . 6990 1 1054 . 1 1 92 92 PHE C C 13 176.087 0.2 . 1 . . . . 83 PHE C . 6990 1 1055 . 1 1 92 92 PHE CA C 13 56.904 0.2 . 1 . . . . 83 PHE CA . 6990 1 1056 . 1 1 92 92 PHE CB C 13 41.890 0.2 . 1 . . . . 83 PHE CB . 6990 1 1057 . 1 1 92 92 PHE CD1 C 13 131.900 0.2 . 3 . . . . 83 PHE CD1 . 6990 1 1058 . 1 1 92 92 PHE CD2 C 13 131.900 0.2 . 3 . . . . 83 PHE CD2 . 6990 1 1059 . 1 1 92 92 PHE CE1 C 13 131.700 0.2 . 3 . . . . 83 PHE CE1 . 6990 1 1060 . 1 1 92 92 PHE CE2 C 13 131.700 0.2 . 3 . . . . 83 PHE CE2 . 6990 1 1061 . 1 1 92 92 PHE CZ C 13 129.615 0.2 . 1 . . . . 83 PHE CZ . 6990 1 1062 . 1 1 92 92 PHE N N 15 115.430 0.1 . 1 . . . . 83 PHE N . 6990 1 1063 . 1 1 93 93 ASN H H 1 8.544 0.02 . 1 . . . . 84 ASN HN . 6990 1 1064 . 1 1 93 93 ASN HA H 1 5.370 0.02 . 1 . . . . 84 ASN HA . 6990 1 1065 . 1 1 93 93 ASN HB2 H 1 2.963 0.02 . 2 . . . . 84 ASN HB1 . 6990 1 1066 . 1 1 93 93 ASN HB3 H 1 2.638 0.02 . 2 . . . . 84 ASN HB2 . 6990 1 1067 . 1 1 93 93 ASN HD21 H 1 7.681 0.02 . 2 . . . . 84 ASN HD21 . 6990 1 1068 . 1 1 93 93 ASN HD22 H 1 6.953 0.02 . 2 . . . . 84 ASN HD22 . 6990 1 1069 . 1 1 93 93 ASN C C 13 174.900 0.2 . 1 . . . . 84 ASN C . 6990 1 1070 . 1 1 93 93 ASN CA C 13 52.000 0.2 . 1 . . . . 84 ASN CA . 6990 1 1071 . 1 1 93 93 ASN CB C 13 40.187 0.2 . 1 . . . . 84 ASN CB . 6990 1 1072 . 1 1 93 93 ASN CG C 13 175.140 0.2 . 1 . . . . 84 ASN CG . 6990 1 1073 . 1 1 93 93 ASN N N 15 127.404 0.1 . 1 . . . . 84 ASN N . 6990 1 1074 . 1 1 93 93 ASN ND2 N 15 114.176 0.1 . 1 . . . . 84 ASN ND2 . 6990 1 1075 . 1 1 94 94 VAL H H 1 8.990 0.02 . 1 . . . . 85 VAL HN . 6990 1 1076 . 1 1 94 94 VAL HA H 1 5.323 0.02 . 1 . . . . 85 VAL HA . 6990 1 1077 . 1 1 94 94 VAL HB H 1 2.509 0.02 . 1 . . . . 85 VAL HB . 6990 1 1078 . 1 1 94 94 VAL HG11 H 1 0.947 0.02 . 2 . . . . 85 VAL HG11 . 6990 1 1079 . 1 1 94 94 VAL HG12 H 1 0.947 0.02 . 2 . . . . 85 VAL HG11 . 6990 1 1080 . 1 1 94 94 VAL HG13 H 1 0.947 0.02 . 2 . . . . 85 VAL HG11 . 6990 1 1081 . 1 1 94 94 VAL HG21 H 1 1.222 0.02 . 2 . . . . 85 VAL HG21 . 6990 1 1082 . 1 1 94 94 VAL HG22 H 1 1.222 0.02 . 2 . . . . 85 VAL HG21 . 6990 1 1083 . 1 1 94 94 VAL HG23 H 1 1.222 0.02 . 2 . . . . 85 VAL HG21 . 6990 1 1084 . 1 1 94 94 VAL C C 13 174.744 0.2 . 1 . . . . 85 VAL C . 6990 1 1085 . 1 1 94 94 VAL CA C 13 59.150 0.2 . 1 . . . . 85 VAL CA . 6990 1 1086 . 1 1 94 94 VAL CB C 13 36.553 0.2 . 1 . . . . 85 VAL CB . 6990 1 1087 . 1 1 94 94 VAL CG1 C 13 21.999 0.2 . 1 . . . . 85 VAL CG1 . 6990 1 1088 . 1 1 94 94 VAL CG2 C 13 18.293 0.2 . 1 . . . . 85 VAL CG2 . 6990 1 1089 . 1 1 94 94 VAL N N 15 115.038 0.1 . 1 . . . . 85 VAL N . 6990 1 1090 . 1 1 95 95 ASN H H 1 7.786 0.02 . 1 . . . . 86 ASN HN . 6990 1 1091 . 1 1 95 95 ASN HA H 1 5.078 0.02 . 1 . . . . 86 ASN HA . 6990 1 1092 . 1 1 95 95 ASN HB2 H 1 3.170 0.02 . 2 . . . . 86 ASN HB1 . 6990 1 1093 . 1 1 95 95 ASN HB3 H 1 3.414 0.02 . 2 . . . . 86 ASN HB2 . 6990 1 1094 . 1 1 95 95 ASN HD21 H 1 8.558 0.02 . 2 . . . . 86 ASN HD21 . 6990 1 1095 . 1 1 95 95 ASN HD22 H 1 7.808 0.02 . 2 . . . . 86 ASN HD22 . 6990 1 1096 . 1 1 95 95 ASN CA C 13 52.486 0.2 . 1 . . . . 86 ASN CA . 6990 1 1097 . 1 1 95 95 ASN CB C 13 41.000 0.2 . 1 . . . . 86 ASN CB . 6990 1 1098 . 1 1 95 95 ASN N N 15 121.560 0.1 . 1 . . . . 86 ASN N . 6990 1 1099 . 1 1 95 95 ASN ND2 N 15 118.622 0.1 . 1 . . . . 86 ASN ND2 . 6990 1 1100 . 1 1 96 96 PRO HA H 1 4.110 0.02 . 1 . . . . 87 PRO HA . 6990 1 1101 . 1 1 96 96 PRO HB2 H 1 2.140 0.02 . 2 . . . . 87 PRO HB1 . 6990 1 1102 . 1 1 96 96 PRO HB3 H 1 2.140 0.02 . 2 . . . . 87 PRO HB2 . 6990 1 1103 . 1 1 96 96 PRO HD2 H 1 4.170 0.02 . 2 . . . . 87 PRO HD1 . 6990 1 1104 . 1 1 96 96 PRO HD3 H 1 3.910 0.02 . 2 . . . . 87 PRO HD2 . 6990 1 1105 . 1 1 96 96 PRO HG2 H 1 1.890 0.02 . 2 . . . . 87 PRO HG1 . 6990 1 1106 . 1 1 96 96 PRO HG3 H 1 2.330 0.02 . 2 . . . . 87 PRO HG2 . 6990 1 1107 . 1 1 96 96 PRO C C 13 178.574 0.2 . 1 . . . . 87 PRO C . 6990 1 1108 . 1 1 96 96 PRO CA C 13 66.127 0.2 . 1 . . . . 87 PRO CA . 6990 1 1109 . 1 1 96 96 PRO CB C 13 32.375 0.2 . 1 . . . . 87 PRO CB . 6990 1 1110 . 1 1 96 96 PRO CD C 13 51.100 0.2 . 1 . . . . 87 PRO CD . 6990 1 1111 . 1 1 96 96 PRO CG C 13 28.200 0.2 . 1 . . . . 87 PRO CG . 6990 1 1112 . 1 1 97 97 THR H H 1 8.612 0.02 . 1 . . . . 88 THR HN . 6990 1 1113 . 1 1 97 97 THR HA H 1 4.005 0.02 . 1 . . . . 88 THR HA . 6990 1 1114 . 1 1 97 97 THR HB H 1 4.393 0.02 . 1 . . . . 88 THR HB . 6990 1 1115 . 1 1 97 97 THR HG21 H 1 1.233 0.02 . 1 . . . . 88 THR HG21 . 6990 1 1116 . 1 1 97 97 THR HG22 H 1 1.233 0.02 . 1 . . . . 88 THR HG21 . 6990 1 1117 . 1 1 97 97 THR HG23 H 1 1.233 0.02 . 1 . . . . 88 THR HG21 . 6990 1 1118 . 1 1 97 97 THR C C 13 176.812 0.2 . 1 . . . . 88 THR C . 6990 1 1119 . 1 1 97 97 THR CA C 13 66.674 0.2 . 1 . . . . 88 THR CA . 6990 1 1120 . 1 1 97 97 THR CB C 13 67.800 0.2 . 1 . . . . 88 THR CB . 6990 1 1121 . 1 1 97 97 THR CG2 C 13 22.000 0.2 . 1 . . . . 88 THR CG2 . 6990 1 1122 . 1 1 97 97 THR N N 15 119.959 0.1 . 1 . . . . 88 THR N . 6990 1 1123 . 1 1 98 98 ALA H H 1 7.872 0.02 . 1 . . . . 89 ALA HN . 6990 1 1124 . 1 1 98 98 ALA HA H 1 3.995 0.02 . 1 . . . . 89 ALA HA . 6990 1 1125 . 1 1 98 98 ALA HB1 H 1 1.584 0.02 . 1 . . . . 89 ALA HB1 . 6990 1 1126 . 1 1 98 98 ALA HB2 H 1 1.584 0.02 . 1 . . . . 89 ALA HB1 . 6990 1 1127 . 1 1 98 98 ALA HB3 H 1 1.584 0.02 . 1 . . . . 89 ALA HB1 . 6990 1 1128 . 1 1 98 98 ALA C C 13 178.559 0.2 . 1 . . . . 89 ALA C . 6990 1 1129 . 1 1 98 98 ALA CA C 13 55.125 0.2 . 1 . . . . 89 ALA CA . 6990 1 1130 . 1 1 98 98 ALA CB C 13 18.450 0.2 . 1 . . . . 89 ALA CB . 6990 1 1131 . 1 1 98 98 ALA N N 15 127.807 0.1 . 1 . . . . 89 ALA N . 6990 1 1132 . 1 1 99 99 PHE H H 1 8.143 0.02 . 1 . . . . 90 PHE HN . 6990 1 1133 . 1 1 99 99 PHE HA H 1 3.650 0.02 . 1 . . . . 90 PHE HA . 6990 1 1134 . 1 1 99 99 PHE HB2 H 1 3.150 0.02 . 2 . . . . 90 PHE HB1 . 6990 1 1135 . 1 1 99 99 PHE HB3 H 1 2.893 0.02 . 2 . . . . 90 PHE HB2 . 6990 1 1136 . 1 1 99 99 PHE HD1 H 1 6.860 0.02 . 3 . . . . 90 PHE HD1 . 6990 1 1137 . 1 1 99 99 PHE HD2 H 1 6.860 0.02 . 3 . . . . 90 PHE HD2 . 6990 1 1138 . 1 1 99 99 PHE HE1 H 1 7.503 0.02 . 3 . . . . 90 PHE HE1 . 6990 1 1139 . 1 1 99 99 PHE HE2 H 1 7.503 0.02 . 3 . . . . 90 PHE HE2 . 6990 1 1140 . 1 1 99 99 PHE HZ H 1 7.230 0.02 . 1 . . . . 90 PHE HZ . 6990 1 1141 . 1 1 99 99 PHE C C 13 176.863 0.2 . 1 . . . . 90 PHE C . 6990 1 1142 . 1 1 99 99 PHE CA C 13 62.390 0.2 . 1 . . . . 90 PHE CA . 6990 1 1143 . 1 1 99 99 PHE CB C 13 40.370 0.2 . 1 . . . . 90 PHE CB . 6990 1 1144 . 1 1 99 99 PHE CD1 C 13 132.700 0.2 . 3 . . . . 90 PHE CD1 . 6990 1 1145 . 1 1 99 99 PHE CD2 C 13 132.700 0.2 . 3 . . . . 90 PHE CD2 . 6990 1 1146 . 1 1 99 99 PHE CE1 C 13 132.400 0.2 . 3 . . . . 90 PHE CE1 . 6990 1 1147 . 1 1 99 99 PHE CE2 C 13 132.400 0.2 . 3 . . . . 90 PHE CE2 . 6990 1 1148 . 1 1 99 99 PHE CZ C 13 130.990 0.2 . 1 . . . . 90 PHE CZ . 6990 1 1149 . 1 1 99 99 PHE N N 15 118.208 0.1 . 1 . . . . 90 PHE N . 6990 1 1150 . 1 1 100 100 THR H H 1 8.433 0.02 . 1 . . . . 91 THR HN . 6990 1 1151 . 1 1 100 100 THR HA H 1 3.562 0.02 . 1 . . . . 91 THR HA . 6990 1 1152 . 1 1 100 100 THR HB H 1 4.276 0.02 . 1 . . . . 91 THR HB . 6990 1 1153 . 1 1 100 100 THR HG21 H 1 1.155 0.02 . 1 . . . . 91 THR HG21 . 6990 1 1154 . 1 1 100 100 THR HG22 H 1 1.155 0.02 . 1 . . . . 91 THR HG21 . 6990 1 1155 . 1 1 100 100 THR HG23 H 1 1.155 0.02 . 1 . . . . 91 THR HG21 . 6990 1 1156 . 1 1 100 100 THR C C 13 176.972 0.2 . 1 . . . . 91 THR C . 6990 1 1157 . 1 1 100 100 THR CA C 13 67.152 0.2 . 1 . . . . 91 THR CA . 6990 1 1158 . 1 1 100 100 THR CB C 13 68.244 0.2 . 1 . . . . 91 THR CB . 6990 1 1159 . 1 1 100 100 THR CG2 C 13 21.326 0.2 . 1 . . . . 91 THR CG2 . 6990 1 1160 . 1 1 100 100 THR N N 15 116.831 0.1 . 1 . . . . 91 THR N . 6990 1 1161 . 1 1 101 101 LYS H H 1 7.943 0.02 . 1 . . . . 92 LYS HN . 6990 1 1162 . 1 1 101 101 LYS HA H 1 3.930 0.02 . 1 . . . . 92 LYS HA . 6990 1 1163 . 1 1 101 101 LYS HB2 H 1 1.915 0.02 . 2 . . . . 92 LYS HB1 . 6990 1 1164 . 1 1 101 101 LYS HB3 H 1 1.915 0.02 . 2 . . . . 92 LYS HB2 . 6990 1 1165 . 1 1 101 101 LYS HD2 H 1 1.745 0.02 . 2 . . . . 92 LYS HD1 . 6990 1 1166 . 1 1 101 101 LYS HD3 H 1 1.745 0.02 . 2 . . . . 92 LYS HD2 . 6990 1 1167 . 1 1 101 101 LYS HE2 H 1 2.950 0.02 . 2 . . . . 92 LYS HE1 . 6990 1 1168 . 1 1 101 101 LYS HE3 H 1 2.950 0.02 . 2 . . . . 92 LYS HE2 . 6990 1 1169 . 1 1 101 101 LYS HG2 H 1 1.503 0.02 . 2 . . . . 92 LYS HG1 . 6990 1 1170 . 1 1 101 101 LYS HG3 H 1 1.503 0.02 . 2 . . . . 92 LYS HG2 . 6990 1 1171 . 1 1 101 101 LYS C C 13 177.936 0.2 . 1 . . . . 92 LYS C . 6990 1 1172 . 1 1 101 101 LYS CA C 13 58.908 0.2 . 1 . . . . 92 LYS CA . 6990 1 1173 . 1 1 101 101 LYS CB C 13 31.860 0.2 . 1 . . . . 92 LYS CB . 6990 1 1174 . 1 1 101 101 LYS CD C 13 28.971 0.2 . 1 . . . . 92 LYS CD . 6990 1 1175 . 1 1 101 101 LYS CE C 13 42.000 0.2 . 1 . . . . 92 LYS CE . 6990 1 1176 . 1 1 101 101 LYS CG C 13 24.935 0.2 . 1 . . . . 92 LYS CG . 6990 1 1177 . 1 1 101 101 LYS N N 15 124.719 0.1 . 1 . . . . 92 LYS N . 6990 1 1178 . 1 1 102 102 LEU H H 1 7.507 0.02 . 1 . . . . 93 LEU HN . 6990 1 1179 . 1 1 102 102 LEU HA H 1 3.979 0.02 . 1 . . . . 93 LEU HA . 6990 1 1180 . 1 1 102 102 LEU HB2 H 1 1.250 0.02 . 2 . . . . 93 LEU HB1 . 6990 1 1181 . 1 1 102 102 LEU HB3 H 1 1.640 0.02 . 2 . . . . 93 LEU HB2 . 6990 1 1182 . 1 1 102 102 LEU HD11 H 1 0.629 0.02 . 2 . . . . 93 LEU HD11 . 6990 1 1183 . 1 1 102 102 LEU HD12 H 1 0.629 0.02 . 2 . . . . 93 LEU HD11 . 6990 1 1184 . 1 1 102 102 LEU HD13 H 1 0.629 0.02 . 2 . . . . 93 LEU HD11 . 6990 1 1185 . 1 1 102 102 LEU HD21 H 1 0.538 0.02 . 2 . . . . 93 LEU HD21 . 6990 1 1186 . 1 1 102 102 LEU HD22 H 1 0.538 0.02 . 2 . . . . 93 LEU HD21 . 6990 1 1187 . 1 1 102 102 LEU HD23 H 1 0.538 0.02 . 2 . . . . 93 LEU HD21 . 6990 1 1188 . 1 1 102 102 LEU HG H 1 1.203 0.02 . 1 . . . . 93 LEU HG . 6990 1 1189 . 1 1 102 102 LEU C C 13 176.368 0.2 . 1 . . . . 93 LEU C . 6990 1 1190 . 1 1 102 102 LEU CA C 13 57.190 0.2 . 1 . . . . 93 LEU CA . 6990 1 1191 . 1 1 102 102 LEU CB C 13 42.260 0.2 . 1 . . . . 93 LEU CB . 6990 1 1192 . 1 1 102 102 LEU CD1 C 13 21.580 0.2 . 1 . . . . 93 LEU CD1 . 6990 1 1193 . 1 1 102 102 LEU CD2 C 13 26.021 0.2 . 1 . . . . 93 LEU CD2 . 6990 1 1194 . 1 1 102 102 LEU CG C 13 26.380 0.2 . 1 . . . . 93 LEU CG . 6990 1 1195 . 1 1 102 102 LEU N N 15 119.802 0.1 . 1 . . . . 93 LEU N . 6990 1 1196 . 1 1 103 103 VAL H H 1 8.274 0.02 . 1 . . . . 94 VAL HN . 6990 1 1197 . 1 1 103 103 VAL HA H 1 3.640 0.02 . 1 . . . . 94 VAL HA . 6990 1 1198 . 1 1 103 103 VAL HB H 1 1.574 0.02 . 1 . . . . 94 VAL HB . 6990 1 1199 . 1 1 103 103 VAL HG11 H 1 0.738 0.02 . 2 . . . . 94 VAL HG11 . 6990 1 1200 . 1 1 103 103 VAL HG12 H 1 0.738 0.02 . 2 . . . . 94 VAL HG11 . 6990 1 1201 . 1 1 103 103 VAL HG13 H 1 0.738 0.02 . 2 . . . . 94 VAL HG11 . 6990 1 1202 . 1 1 103 103 VAL HG21 H 1 0.161 0.02 . 2 . . . . 94 VAL HG21 . 6990 1 1203 . 1 1 103 103 VAL HG22 H 1 0.161 0.02 . 2 . . . . 94 VAL HG21 . 6990 1 1204 . 1 1 103 103 VAL HG23 H 1 0.161 0.02 . 2 . . . . 94 VAL HG21 . 6990 1 1205 . 1 1 103 103 VAL C C 13 177.340 0.2 . 1 . . . . 94 VAL C . 6990 1 1206 . 1 1 103 103 VAL CA C 13 63.490 0.2 . 1 . . . . 94 VAL CA . 6990 1 1207 . 1 1 103 103 VAL CB C 13 33.400 0.2 . 1 . . . . 94 VAL CB . 6990 1 1208 . 1 1 103 103 VAL CG1 C 13 21.970 0.2 . 1 . . . . 94 VAL CG1 . 6990 1 1209 . 1 1 103 103 VAL CG2 C 13 21.490 0.2 . 1 . . . . 94 VAL CG2 . 6990 1 1210 . 1 1 103 103 VAL N N 15 115.418 0.1 . 1 . . . . 94 VAL N . 6990 1 1211 . 1 1 104 104 GLY H H 1 8.117 0.02 . 1 . . . . 95 GLY HN . 6990 1 1212 . 1 1 104 104 GLY HA2 H 1 4.467 0.02 . 2 . . . . 95 GLY HA1 . 6990 1 1213 . 1 1 104 104 GLY HA3 H 1 3.703 0.02 . 2 . . . . 95 GLY HA2 . 6990 1 1214 . 1 1 104 104 GLY C C 13 174.024 0.2 . 1 . . . . 95 GLY C . 6990 1 1215 . 1 1 104 104 GLY CA C 13 45.387 0.2 . 1 . . . . 95 GLY CA . 6990 1 1216 . 1 1 104 104 GLY N N 15 111.672 0.1 . 1 . . . . 95 GLY N . 6990 1 1217 . 1 1 105 105 SER H H 1 7.410 0.02 . 1 . . . . 96 SER HN . 6990 1 1218 . 1 1 105 105 SER HA H 1 4.731 0.02 . 1 . . . . 96 SER HA . 6990 1 1219 . 1 1 105 105 SER HB2 H 1 3.816 0.02 . 2 . . . . 96 SER HB1 . 6990 1 1220 . 1 1 105 105 SER HB3 H 1 4.153 0.02 . 2 . . . . 96 SER HB2 . 6990 1 1221 . 1 1 105 105 SER C C 13 174.565 0.2 . 1 . . . . 96 SER C . 6990 1 1222 . 1 1 105 105 SER CA C 13 57.160 0.2 . 1 . . . . 96 SER CA . 6990 1 1223 . 1 1 105 105 SER CB C 13 63.880 0.2 . 1 . . . . 96 SER CB . 6990 1 1224 . 1 1 105 105 SER N N 15 112.905 0.1 . 1 . . . . 96 SER N . 6990 1 1225 . 1 1 106 106 THR H H 1 8.494 0.02 . 1 . . . . 97 THR HN . 6990 1 1226 . 1 1 106 106 THR HA H 1 4.370 0.02 . 1 . . . . 97 THR HA . 6990 1 1227 . 1 1 106 106 THR HB H 1 4.099 0.02 . 1 . . . . 97 THR HB . 6990 1 1228 . 1 1 106 106 THR HG21 H 1 0.785 0.02 . 1 . . . . 97 THR HG21 . 6990 1 1229 . 1 1 106 106 THR HG22 H 1 0.785 0.02 . 1 . . . . 97 THR HG21 . 6990 1 1230 . 1 1 106 106 THR HG23 H 1 0.785 0.02 . 1 . . . . 97 THR HG21 . 6990 1 1231 . 1 1 106 106 THR C C 13 176.196 0.2 . 1 . . . . 97 THR C . 6990 1 1232 . 1 1 106 106 THR CA C 13 62.200 0.2 . 1 . . . . 97 THR CA . 6990 1 1233 . 1 1 106 106 THR CB C 13 68.440 0.2 . 1 . . . . 97 THR CB . 6990 1 1234 . 1 1 106 106 THR CG2 C 13 21.070 0.2 . 1 . . . . 97 THR CG2 . 6990 1 1235 . 1 1 106 106 THR N N 15 114.347 0.1 . 1 . . . . 97 THR N . 6990 1 1236 . 1 1 107 107 GLU H H 1 8.533 0.02 . 1 . . . . 98 GLU HN . 6990 1 1237 . 1 1 107 107 GLU HA H 1 4.120 0.02 . 1 . . . . 98 GLU HA . 6990 1 1238 . 1 1 107 107 GLU HB2 H 1 1.998 0.02 . 2 . . . . 98 GLU HB1 . 6990 1 1239 . 1 1 107 107 GLU HB3 H 1 2.074 0.02 . 2 . . . . 98 GLU HB2 . 6990 1 1240 . 1 1 107 107 GLU HG2 H 1 2.301 0.02 . 2 . . . . 98 GLU HG1 . 6990 1 1241 . 1 1 107 107 GLU HG3 H 1 2.301 0.02 . 2 . . . . 98 GLU HG2 . 6990 1 1242 . 1 1 107 107 GLU C C 13 177.215 0.2 . 1 . . . . 98 GLU C . 6990 1 1243 . 1 1 107 107 GLU CA C 13 58.454 0.2 . 1 . . . . 98 GLU CA . 6990 1 1244 . 1 1 107 107 GLU CB C 13 29.523 0.2 . 1 . . . . 98 GLU CB . 6990 1 1245 . 1 1 107 107 GLU CG C 13 35.975 0.2 . 1 . . . . 98 GLU CG . 6990 1 1246 . 1 1 107 107 GLU N N 15 124.994 0.1 . 1 . . . . 98 GLU N . 6990 1 1247 . 1 1 108 108 ALA H H 1 8.106 0.02 . 1 . . . . 99 ALA HN . 6990 1 1248 . 1 1 108 108 ALA HA H 1 4.370 0.02 . 1 . . . . 99 ALA HA . 6990 1 1249 . 1 1 108 108 ALA HB1 H 1 1.521 0.02 . 1 . . . . 99 ALA HB1 . 6990 1 1250 . 1 1 108 108 ALA HB2 H 1 1.521 0.02 . 1 . . . . 99 ALA HB1 . 6990 1 1251 . 1 1 108 108 ALA HB3 H 1 1.521 0.02 . 1 . . . . 99 ALA HB1 . 6990 1 1252 . 1 1 108 108 ALA C C 13 179.269 0.2 . 1 . . . . 99 ALA C . 6990 1 1253 . 1 1 108 108 ALA CA C 13 52.822 0.2 . 1 . . . . 99 ALA CA . 6990 1 1254 . 1 1 108 108 ALA CB C 13 19.533 0.2 . 1 . . . . 99 ALA CB . 6990 1 1255 . 1 1 108 108 ALA N N 15 122.490 0.1 . 1 . . . . 99 ALA N . 6990 1 1256 . 1 1 109 109 GLY H H 1 8.061 0.02 . 1 . . . . 100 GLY HN . 6990 1 1257 . 1 1 109 109 GLY HA2 H 1 4.120 0.02 . 2 . . . . 100 GLY HA1 . 6990 1 1258 . 1 1 109 109 GLY HA3 H 1 3.814 0.02 . 2 . . . . 100 GLY HA2 . 6990 1 1259 . 1 1 109 109 GLY C C 13 172.641 0.2 . 1 . . . . 100 GLY C . 6990 1 1260 . 1 1 109 109 GLY CA C 13 46.477 0.2 . 1 . . . . 100 GLY CA . 6990 1 1261 . 1 1 109 109 GLY N N 15 107.455 0.1 . 1 . . . . 100 GLY N . 6990 1 1262 . 1 1 110 110 ARG H H 1 8.035 0.02 . 1 . . . . 101 ARG HN . 6990 1 1263 . 1 1 110 110 ARG HA H 1 5.245 0.02 . 1 . . . . 101 ARG HA . 6990 1 1264 . 1 1 110 110 ARG HB2 H 1 1.753 0.02 . 2 . . . . 101 ARG HB1 . 6990 1 1265 . 1 1 110 110 ARG HB3 H 1 1.823 0.02 . 2 . . . . 101 ARG HB2 . 6990 1 1266 . 1 1 110 110 ARG HD2 H 1 3.170 0.02 . 2 . . . . 101 ARG HD1 . 6990 1 1267 . 1 1 110 110 ARG HD3 H 1 3.170 0.02 . 2 . . . . 101 ARG HD2 . 6990 1 1268 . 1 1 110 110 ARG HE H 1 7.240 0.02 . 1 . . . . 101 ARG HE . 6990 1 1269 . 1 1 110 110 ARG HG2 H 1 1.424 0.02 . 2 . . . . 101 ARG HG1 . 6990 1 1270 . 1 1 110 110 ARG HG3 H 1 1.424 0.02 . 2 . . . . 101 ARG HG2 . 6990 1 1271 . 1 1 110 110 ARG C C 13 175.237 0.2 . 1 . . . . 101 ARG C . 6990 1 1272 . 1 1 110 110 ARG CA C 13 55.082 0.2 . 1 . . . . 101 ARG CA . 6990 1 1273 . 1 1 110 110 ARG CB C 13 33.190 0.2 . 1 . . . . 101 ARG CB . 6990 1 1274 . 1 1 110 110 ARG CD C 13 43.157 0.2 . 1 . . . . 101 ARG CD . 6990 1 1275 . 1 1 110 110 ARG CG C 13 27.270 0.2 . 1 . . . . 101 ARG CG . 6990 1 1276 . 1 1 110 110 ARG N N 15 121.118 0.1 . 1 . . . . 101 ARG N . 6990 1 1277 . 1 1 110 110 ARG NE N 15 120.191 0.1 . 1 . . . . 101 ARG NE . 6990 1 1278 . 1 1 111 111 VAL H H 1 9.060 0.02 . 1 . . . . 102 VAL HN . 6990 1 1279 . 1 1 111 111 VAL HA H 1 4.370 0.02 . 1 . . . . 102 VAL HA . 6990 1 1280 . 1 1 111 111 VAL HB H 1 1.929 0.02 . 1 . . . . 102 VAL HB . 6990 1 1281 . 1 1 111 111 VAL HG11 H 1 1.070 0.02 . 2 . . . . 102 VAL HG11 . 6990 1 1282 . 1 1 111 111 VAL HG12 H 1 1.070 0.02 . 2 . . . . 102 VAL HG11 . 6990 1 1283 . 1 1 111 111 VAL HG13 H 1 1.070 0.02 . 2 . . . . 102 VAL HG11 . 6990 1 1284 . 1 1 111 111 VAL HG21 H 1 0.940 0.02 . 2 . . . . 102 VAL HG21 . 6990 1 1285 . 1 1 111 111 VAL HG22 H 1 0.940 0.02 . 2 . . . . 102 VAL HG21 . 6990 1 1286 . 1 1 111 111 VAL HG23 H 1 0.940 0.02 . 2 . . . . 102 VAL HG21 . 6990 1 1287 . 1 1 111 111 VAL C C 13 174.871 0.2 . 1 . . . . 102 VAL C . 6990 1 1288 . 1 1 111 111 VAL CA C 13 61.758 0.2 . 1 . . . . 102 VAL CA . 6990 1 1289 . 1 1 111 111 VAL CB C 13 33.907 0.2 . 1 . . . . 102 VAL CB . 6990 1 1290 . 1 1 111 111 VAL CG1 C 13 21.700 0.2 . 1 . . . . 102 VAL CG1 . 6990 1 1291 . 1 1 111 111 VAL CG2 C 13 22.100 0.2 . 1 . . . . 102 VAL CG2 . 6990 1 1292 . 1 1 111 111 VAL N N 15 126.326 0.1 . 1 . . . . 102 VAL N . 6990 1 1293 . 1 1 112 112 ASP H H 1 8.560 0.02 . 1 . . . . 103 ASP HN . 6990 1 1294 . 1 1 112 112 ASP HA H 1 4.893 0.02 . 1 . . . . 103 ASP HA . 6990 1 1295 . 1 1 112 112 ASP HB2 H 1 2.550 0.02 . 2 . . . . 103 ASP HB1 . 6990 1 1296 . 1 1 112 112 ASP HB3 H 1 2.774 0.02 . 2 . . . . 103 ASP HB2 . 6990 1 1297 . 1 1 112 112 ASP C C 13 175.475 0.2 . 1 . . . . 103 ASP C . 6990 1 1298 . 1 1 112 112 ASP CA C 13 54.000 0.2 . 1 . . . . 103 ASP CA . 6990 1 1299 . 1 1 112 112 ASP CB C 13 42.929 0.2 . 1 . . . . 103 ASP CB . 6990 1 1300 . 1 1 112 112 ASP N N 15 127.646 0.1 . 1 . . . . 103 ASP N . 6990 1 1301 . 1 1 113 113 ASN H H 1 8.509 0.02 . 1 . . . . 104 ASN HN . 6990 1 1302 . 1 1 113 113 ASN HA H 1 4.408 0.02 . 1 . . . . 104 ASN HA . 6990 1 1303 . 1 1 113 113 ASN HB2 H 1 2.850 0.02 . 2 . . . . 104 ASN HB1 . 6990 1 1304 . 1 1 113 113 ASN HB3 H 1 3.032 0.02 . 2 . . . . 104 ASN HB2 . 6990 1 1305 . 1 1 113 113 ASN HD21 H 1 7.598 0.02 . 2 . . . . 104 ASN HD21 . 6990 1 1306 . 1 1 113 113 ASN HD22 H 1 6.936 0.02 . 2 . . . . 104 ASN HD22 . 6990 1 1307 . 1 1 113 113 ASN C C 13 174.418 0.2 . 1 . . . . 104 ASN C . 6990 1 1308 . 1 1 113 113 ASN CA C 13 54.216 0.2 . 1 . . . . 104 ASN CA . 6990 1 1309 . 1 1 113 113 ASN CB C 13 37.068 0.2 . 1 . . . . 104 ASN CB . 6990 1 1310 . 1 1 113 113 ASN CG C 13 176.982 0.2 . 1 . . . . 104 ASN CG . 6990 1 1311 . 1 1 113 113 ASN N N 15 115.779 0.1 . 1 . . . . 104 ASN N . 6990 1 1312 . 1 1 113 113 ASN ND2 N 15 114.961 0.1 . 1 . . . . 104 ASN ND2 . 6990 1 1313 . 1 1 114 114 VAL H H 1 8.852 0.02 . 1 . . . . 105 VAL HN . 6990 1 1314 . 1 1 114 114 VAL HA H 1 4.370 0.02 . 1 . . . . 105 VAL HA . 6990 1 1315 . 1 1 114 114 VAL HB H 1 2.105 0.02 . 1 . . . . 105 VAL HB . 6990 1 1316 . 1 1 114 114 VAL HG11 H 1 0.789 0.02 . 2 . . . . 105 VAL HG11 . 6990 1 1317 . 1 1 114 114 VAL HG12 H 1 0.789 0.02 . 2 . . . . 105 VAL HG11 . 6990 1 1318 . 1 1 114 114 VAL HG13 H 1 0.789 0.02 . 2 . . . . 105 VAL HG11 . 6990 1 1319 . 1 1 114 114 VAL HG21 H 1 0.764 0.02 . 2 . . . . 105 VAL HG21 . 6990 1 1320 . 1 1 114 114 VAL HG22 H 1 0.764 0.02 . 2 . . . . 105 VAL HG21 . 6990 1 1321 . 1 1 114 114 VAL HG23 H 1 0.764 0.02 . 2 . . . . 105 VAL HG21 . 6990 1 1322 . 1 1 114 114 VAL C C 13 175.651 0.2 . 1 . . . . 105 VAL C . 6990 1 1323 . 1 1 114 114 VAL CA C 13 61.460 0.2 . 1 . . . . 105 VAL CA . 6990 1 1324 . 1 1 114 114 VAL CB C 13 32.260 0.2 . 1 . . . . 105 VAL CB . 6990 1 1325 . 1 1 114 114 VAL CG1 C 13 23.489 0.2 . 1 . . . . 105 VAL CG1 . 6990 1 1326 . 1 1 114 114 VAL CG2 C 13 20.800 0.2 . 1 . . . . 105 VAL CG2 . 6990 1 1327 . 1 1 114 114 VAL N N 15 116.588 0.1 . 1 . . . . 105 VAL N . 6990 1 1328 . 1 1 115 115 ASN H H 1 8.534 0.02 . 1 . . . . 106 ASN HN . 6990 1 1329 . 1 1 115 115 ASN HA H 1 5.370 0.02 . 1 . . . . 106 ASN HA . 6990 1 1330 . 1 1 115 115 ASN HB2 H 1 2.636 0.02 . 2 . . . . 106 ASN HB1 . 6990 1 1331 . 1 1 115 115 ASN HB3 H 1 2.796 0.02 . 2 . . . . 106 ASN HB2 . 6990 1 1332 . 1 1 115 115 ASN HD21 H 1 7.600 0.02 . 2 . . . . 106 ASN HD21 . 6990 1 1333 . 1 1 115 115 ASN HD22 H 1 6.919 0.02 . 2 . . . . 106 ASN HD22 . 6990 1 1334 . 1 1 115 115 ASN C C 13 174.378 0.2 . 1 . . . . 106 ASN C . 6990 1 1335 . 1 1 115 115 ASN CA C 13 52.029 0.2 . 1 . . . . 106 ASN CA . 6990 1 1336 . 1 1 115 115 ASN CB C 13 41.577 0.2 . 1 . . . . 106 ASN CB . 6990 1 1337 . 1 1 115 115 ASN CG C 13 176.364 0.2 . 1 . . . . 106 ASN CG . 6990 1 1338 . 1 1 115 115 ASN N N 15 122.627 0.1 . 1 . . . . 106 ASN N . 6990 1 1339 . 1 1 115 115 ASN ND2 N 15 113.644 0.1 . 1 . . . . 106 ASN ND2 . 6990 1 1340 . 1 1 116 116 TYR H H 1 8.586 0.02 . 1 . . . . 107 TYR HN . 6990 1 1341 . 1 1 116 116 TYR HA H 1 6.121 0.02 . 1 . . . . 107 TYR HA . 6990 1 1342 . 1 1 116 116 TYR HB2 H 1 2.941 0.02 . 2 . . . . 107 TYR HB1 . 6990 1 1343 . 1 1 116 116 TYR HB3 H 1 3.111 0.02 . 2 . . . . 107 TYR HB2 . 6990 1 1344 . 1 1 116 116 TYR HD1 H 1 7.300 0.02 . 3 . . . . 107 TYR HD1 . 6990 1 1345 . 1 1 116 116 TYR HD2 H 1 7.271 0.02 . 3 . . . . 107 TYR HD2 . 6990 1 1346 . 1 1 116 116 TYR HE1 H 1 6.870 0.02 . 3 . . . . 107 TYR HE1 . 6990 1 1347 . 1 1 116 116 TYR HE2 H 1 6.870 0.02 . 3 . . . . 107 TYR HE2 . 6990 1 1348 . 1 1 116 116 TYR C C 13 173.588 0.2 . 1 . . . . 107 TYR C . 6990 1 1349 . 1 1 116 116 TYR CA C 13 55.484 0.2 . 1 . . . . 107 TYR CA . 6990 1 1350 . 1 1 116 116 TYR CB C 13 42.020 0.2 . 1 . . . . 107 TYR CB . 6990 1 1351 . 1 1 116 116 TYR CD1 C 13 134.500 0.2 . 3 . . . . 107 TYR CD1 . 6990 1 1352 . 1 1 116 116 TYR CE1 C 13 118.928 0.2 . 3 . . . . 107 TYR CE1 . 6990 1 1353 . 1 1 116 116 TYR CE2 C 13 118.928 0.2 . 3 . . . . 107 TYR CE2 . 6990 1 1354 . 1 1 116 116 TYR N N 15 119.691 0.1 . 1 . . . . 107 TYR N . 6990 1 1355 . 1 1 117 117 VAL H H 1 8.461 0.02 . 1 . . . . 108 VAL HN . 6990 1 1356 . 1 1 117 117 VAL HA H 1 4.632 0.02 . 1 . . . . 108 VAL HA . 6990 1 1357 . 1 1 117 117 VAL HB H 1 2.192 0.02 . 1 . . . . 108 VAL HB . 6990 1 1358 . 1 1 117 117 VAL HG11 H 1 1.051 0.02 . 2 . . . . 108 VAL HG11 . 6990 1 1359 . 1 1 117 117 VAL HG12 H 1 1.051 0.02 . 2 . . . . 108 VAL HG11 . 6990 1 1360 . 1 1 117 117 VAL HG13 H 1 1.051 0.02 . 2 . . . . 108 VAL HG11 . 6990 1 1361 . 1 1 117 117 VAL HG21 H 1 0.940 0.02 . 2 . . . . 108 VAL HG21 . 6990 1 1362 . 1 1 117 117 VAL HG22 H 1 0.940 0.02 . 2 . . . . 108 VAL HG21 . 6990 1 1363 . 1 1 117 117 VAL HG23 H 1 0.940 0.02 . 2 . . . . 108 VAL HG21 . 6990 1 1364 . 1 1 117 117 VAL C C 13 172.472 0.2 . 1 . . . . 108 VAL C . 6990 1 1365 . 1 1 117 117 VAL CA C 13 59.996 0.2 . 1 . . . . 108 VAL CA . 6990 1 1366 . 1 1 117 117 VAL CB C 13 35.564 0.2 . 1 . . . . 108 VAL CB . 6990 1 1367 . 1 1 117 117 VAL CG1 C 13 20.384 0.2 . 1 . . . . 108 VAL CG1 . 6990 1 1368 . 1 1 117 117 VAL CG2 C 13 20.130 0.2 . 1 . . . . 108 VAL CG2 . 6990 1 1369 . 1 1 117 117 VAL N N 15 119.157 0.1 . 1 . . . . 108 VAL N . 6990 1 1370 . 1 1 118 118 GLN H H 1 8.677 0.02 . 1 . . . . 109 GLN HN . 6990 1 1371 . 1 1 118 118 GLN HA H 1 3.494 0.02 . 1 . . . . 109 GLN HA . 6990 1 1372 . 1 1 118 118 GLN HB2 H 1 0.487 0.02 . 2 . . . . 109 GLN HB1 . 6990 1 1373 . 1 1 118 118 GLN HB3 H 1 1.272 0.02 . 2 . . . . 109 GLN HB2 . 6990 1 1374 . 1 1 118 118 GLN HE21 H 1 7.272 0.02 . 2 . . . . 109 GLN HE21 . 6990 1 1375 . 1 1 118 118 GLN HE22 H 1 6.989 0.02 . 2 . . . . 109 GLN HE22 . 6990 1 1376 . 1 1 118 118 GLN HG2 H 1 1.480 0.02 . 2 . . . . 109 GLN HG1 . 6990 1 1377 . 1 1 118 118 GLN HG3 H 1 2.005 0.02 . 2 . . . . 109 GLN HG2 . 6990 1 1378 . 1 1 118 118 GLN C C 13 176.104 0.2 . 1 . . . . 109 GLN C . 6990 1 1379 . 1 1 118 118 GLN CA C 13 56.375 0.2 . 1 . . . . 109 GLN CA . 6990 1 1380 . 1 1 118 118 GLN CB C 13 26.609 0.2 . 1 . . . . 109 GLN CB . 6990 1 1381 . 1 1 118 118 GLN CD C 13 177.988 0.2 . 1 . . . . 109 GLN CD . 6990 1 1382 . 1 1 118 118 GLN CG C 13 33.317 0.2 . 1 . . . . 109 GLN CG . 6990 1 1383 . 1 1 118 118 GLN N N 15 132.296 0.1 . 1 . . . . 109 GLN N . 6990 1 1384 . 1 1 118 118 GLN NE2 N 15 110.968 0.1 . 1 . . . . 109 GLN NE2 . 6990 1 1385 . 1 1 119 119 VAL H H 1 8.394 0.02 . 1 . . . . 110 VAL HN . 6990 1 1386 . 1 1 119 119 VAL HA H 1 4.713 0.02 . 1 . . . . 110 VAL HA . 6990 1 1387 . 1 1 119 119 VAL HB H 1 2.241 0.02 . 1 . . . . 110 VAL HB . 6990 1 1388 . 1 1 119 119 VAL HG11 H 1 0.980 0.02 . 2 . . . . 110 VAL HG11 . 6990 1 1389 . 1 1 119 119 VAL HG12 H 1 0.980 0.02 . 2 . . . . 110 VAL HG11 . 6990 1 1390 . 1 1 119 119 VAL HG13 H 1 0.980 0.02 . 2 . . . . 110 VAL HG11 . 6990 1 1391 . 1 1 119 119 VAL HG21 H 1 0.700 0.02 . 2 . . . . 110 VAL HG21 . 6990 1 1392 . 1 1 119 119 VAL HG22 H 1 0.700 0.02 . 2 . . . . 110 VAL HG21 . 6990 1 1393 . 1 1 119 119 VAL HG23 H 1 0.700 0.02 . 2 . . . . 110 VAL HG21 . 6990 1 1394 . 1 1 119 119 VAL C C 13 174.891 0.2 . 1 . . . . 110 VAL C . 6990 1 1395 . 1 1 119 119 VAL CA C 13 58.605 0.2 . 1 . . . . 110 VAL CA . 6990 1 1396 . 1 1 119 119 VAL CB C 13 36.289 0.2 . 1 . . . . 110 VAL CB . 6990 1 1397 . 1 1 119 119 VAL CG1 C 13 22.600 0.2 . 1 . . . . 110 VAL CG1 . 6990 1 1398 . 1 1 119 119 VAL CG2 C 13 19.800 0.2 . 1 . . . . 110 VAL CG2 . 6990 1 1399 . 1 1 119 119 VAL N N 15 120.180 0.1 . 1 . . . . 110 VAL N . 6990 1 1400 . 1 1 120 120 ASP H H 1 8.242 0.02 . 1 . . . . 111 ASP HN . 6990 1 1401 . 1 1 120 120 ASP HA H 1 4.348 0.02 . 1 . . . . 111 ASP HA . 6990 1 1402 . 1 1 120 120 ASP HB2 H 1 2.502 0.02 . 2 . . . . 111 ASP HB1 . 6990 1 1403 . 1 1 120 120 ASP HB3 H 1 2.502 0.02 . 2 . . . . 111 ASP HB2 . 6990 1 1404 . 1 1 120 120 ASP C C 13 177.751 0.2 . 1 . . . . 111 ASP C . 6990 1 1405 . 1 1 120 120 ASP CA C 13 55.495 0.2 . 1 . . . . 111 ASP CA . 6990 1 1406 . 1 1 120 120 ASP CB C 13 42.630 0.2 . 1 . . . . 111 ASP CB . 6990 1 1407 . 1 1 120 120 ASP N N 15 120.192 0.1 . 1 . . . . 111 ASP N . 6990 1 1408 . 1 1 121 121 LEU H H 1 8.871 0.02 . 1 . . . . 112 LEU HN . 6990 1 1409 . 1 1 121 121 LEU HA H 1 4.036 0.02 . 1 . . . . 112 LEU HA . 6990 1 1410 . 1 1 121 121 LEU HB2 H 1 1.809 0.02 . 2 . . . . 112 LEU HB1 . 6990 1 1411 . 1 1 121 121 LEU HB3 H 1 1.729 0.02 . 2 . . . . 112 LEU HB2 . 6990 1 1412 . 1 1 121 121 LEU HD11 H 1 1.026 0.02 . 2 . . . . 112 LEU HD11 . 6990 1 1413 . 1 1 121 121 LEU HD12 H 1 1.026 0.02 . 2 . . . . 112 LEU HD11 . 6990 1 1414 . 1 1 121 121 LEU HD13 H 1 1.026 0.02 . 2 . . . . 112 LEU HD11 . 6990 1 1415 . 1 1 121 121 LEU HD21 H 1 1.008 0.02 . 2 . . . . 112 LEU HD21 . 6990 1 1416 . 1 1 121 121 LEU HD22 H 1 1.008 0.02 . 2 . . . . 112 LEU HD21 . 6990 1 1417 . 1 1 121 121 LEU HD23 H 1 1.008 0.02 . 2 . . . . 112 LEU HD21 . 6990 1 1418 . 1 1 121 121 LEU HG H 1 1.760 0.02 . 1 . . . . 112 LEU HG . 6990 1 1419 . 1 1 121 121 LEU C C 13 177.907 0.2 . 1 . . . . 112 LEU C . 6990 1 1420 . 1 1 121 121 LEU CA C 13 57.944 0.2 . 1 . . . . 112 LEU CA . 6990 1 1421 . 1 1 121 121 LEU CB C 13 41.862 0.2 . 1 . . . . 112 LEU CB . 6990 1 1422 . 1 1 121 121 LEU CD1 C 13 23.143 0.2 . 1 . . . . 112 LEU CD1 . 6990 1 1423 . 1 1 121 121 LEU CD2 C 13 25.273 0.2 . 1 . . . . 112 LEU CD2 . 6990 1 1424 . 1 1 121 121 LEU CG C 13 25.960 0.2 . 1 . . . . 112 LEU CG . 6990 1 1425 . 1 1 121 121 LEU N N 15 127.397 0.1 . 1 . . . . 112 LEU N . 6990 1 1426 . 1 1 122 122 SER H H 1 8.753 0.02 . 1 . . . . 113 SER HN . 6990 1 1427 . 1 1 122 122 SER HA H 1 3.890 0.02 . 1 . . . . 113 SER HA . 6990 1 1428 . 1 1 122 122 SER HB2 H 1 3.793 0.02 . 2 . . . . 113 SER HB2 . 6990 1 1429 . 1 1 122 122 SER C C 13 176.171 0.2 . 1 . . . . 113 SER C . 6990 1 1430 . 1 1 122 122 SER CA C 13 61.261 0.2 . 1 . . . . 113 SER CA . 6990 1 1431 . 1 1 122 122 SER N N 15 116.329 0.1 . 1 . . . . 113 SER N . 6990 1 1432 . 1 1 123 123 ASN H H 1 7.461 0.02 . 1 . . . . 114 ASN HN . 6990 1 1433 . 1 1 123 123 ASN HA H 1 3.873 0.02 . 1 . . . . 114 ASN HA . 6990 1 1434 . 1 1 123 123 ASN HB2 H 1 0.244 0.02 . 2 . . . . 114 ASN HB1 . 6990 1 1435 . 1 1 123 123 ASN HB3 H 1 1.982 0.02 . 2 . . . . 114 ASN HB2 . 6990 1 1436 . 1 1 123 123 ASN HD21 H 1 7.470 0.02 . 2 . . . . 114 ASN HD21 . 6990 1 1437 . 1 1 123 123 ASN HD22 H 1 6.745 0.02 . 2 . . . . 114 ASN HD22 . 6990 1 1438 . 1 1 123 123 ASN C C 13 175.987 0.2 . 1 . . . . 114 ASN C . 6990 1 1439 . 1 1 123 123 ASN CA C 13 56.300 0.2 . 1 . . . . 114 ASN CA . 6990 1 1440 . 1 1 123 123 ASN CB C 13 37.762 0.2 . 1 . . . . 114 ASN CB . 6990 1 1441 . 1 1 123 123 ASN CG C 13 180.156 0.2 . 1 . . . . 114 ASN CG . 6990 1 1442 . 1 1 123 123 ASN N N 15 119.407 0.1 . 1 . . . . 114 ASN N . 6990 1 1443 . 1 1 123 123 ASN ND2 N 15 113.130 0.1 . 1 . . . . 114 ASN ND2 . 6990 1 1444 . 1 1 124 124 CYS H H 1 7.593 0.02 . 1 . . . . 115 CYS HN . 6990 1 1445 . 1 1 124 124 CYS HA H 1 4.529 0.02 . 1 . . . . 115 CYS HA . 6990 1 1446 . 1 1 124 124 CYS HB2 H 1 3.288 0.02 . 2 . . . . 115 CYS HB1 . 6990 1 1447 . 1 1 124 124 CYS HB3 H 1 3.288 0.02 . 2 . . . . 115 CYS HB2 . 6990 1 1448 . 1 1 124 124 CYS C C 13 175.382 0.2 . 1 . . . . 115 CYS C . 6990 1 1449 . 1 1 124 124 CYS CA C 13 63.465 0.2 . 1 . . . . 115 CYS CA . 6990 1 1450 . 1 1 124 124 CYS CB C 13 39.324 0.2 . 1 . . . . 115 CYS CB . 6990 1 1451 . 1 1 124 124 CYS N N 15 117.956 0.1 . 1 . . . . 115 CYS N . 6990 1 1452 . 1 1 125 125 ILE H H 1 7.283 0.02 . 1 . . . . 116 ILE HN . 6990 1 1453 . 1 1 125 125 ILE HA H 1 3.740 0.02 . 1 . . . . 116 ILE HA . 6990 1 1454 . 1 1 125 125 ILE HB H 1 1.794 0.02 . 1 . . . . 116 ILE HB . 6990 1 1455 . 1 1 125 125 ILE HD11 H 1 0.789 0.02 . 1 . . . . 116 ILE HD11 . 6990 1 1456 . 1 1 125 125 ILE HD12 H 1 0.789 0.02 . 1 . . . . 116 ILE HD11 . 6990 1 1457 . 1 1 125 125 ILE HD13 H 1 0.789 0.02 . 1 . . . . 116 ILE HD11 . 6990 1 1458 . 1 1 125 125 ILE HG12 H 1 0.950 0.02 . 1 . . . . 116 ILE HG11 . 6990 1 1459 . 1 1 125 125 ILE HG13 H 1 1.380 0.02 . 1 . . . . 116 ILE HG12 . 6990 1 1460 . 1 1 125 125 ILE HG21 H 1 0.847 0.02 . 1 . . . . 116 ILE HG21 . 6990 1 1461 . 1 1 125 125 ILE HG22 H 1 0.847 0.02 . 1 . . . . 116 ILE HG21 . 6990 1 1462 . 1 1 125 125 ILE HG23 H 1 0.847 0.02 . 1 . . . . 116 ILE HG21 . 6990 1 1463 . 1 1 125 125 ILE C C 13 177.207 0.2 . 1 . . . . 116 ILE C . 6990 1 1464 . 1 1 125 125 ILE CA C 13 63.676 0.2 . 1 . . . . 116 ILE CA . 6990 1 1465 . 1 1 125 125 ILE CB C 13 38.168 0.2 . 1 . . . . 116 ILE CB . 6990 1 1466 . 1 1 125 125 ILE CD1 C 13 12.829 0.2 . 1 . . . . 116 ILE CD1 . 6990 1 1467 . 1 1 125 125 ILE CG1 C 13 27.650 0.2 . 1 . . . . 116 ILE CG1 . 6990 1 1468 . 1 1 125 125 ILE CG2 C 13 17.399 0.2 . 1 . . . . 116 ILE CG2 . 6990 1 1469 . 1 1 125 125 ILE N N 15 117.414 0.1 . 1 . . . . 116 ILE N . 6990 1 1470 . 1 1 126 126 ASN H H 1 8.227 0.02 . 1 . . . . 117 ASN HN . 6990 1 1471 . 1 1 126 126 ASN HA H 1 4.684 0.02 . 1 . . . . 117 ASN HA . 6990 1 1472 . 1 1 126 126 ASN HB2 H 1 2.870 0.02 . 2 . . . . 117 ASN HB1 . 6990 1 1473 . 1 1 126 126 ASN HB3 H 1 2.783 0.02 . 2 . . . . 117 ASN HB2 . 6990 1 1474 . 1 1 126 126 ASN HD21 H 1 7.536 0.02 . 2 . . . . 117 ASN HD21 . 6990 1 1475 . 1 1 126 126 ASN HD22 H 1 6.953 0.02 . 2 . . . . 117 ASN HD22 . 6990 1 1476 . 1 1 126 126 ASN C C 13 176.642 0.2 . 1 . . . . 117 ASN C . 6990 1 1477 . 1 1 126 126 ASN CA C 13 53.935 0.2 . 1 . . . . 117 ASN CA . 6990 1 1478 . 1 1 126 126 ASN CB C 13 38.310 0.2 . 1 . . . . 117 ASN CB . 6990 1 1479 . 1 1 126 126 ASN CG C 13 176.610 0.2 . 1 . . . . 117 ASN CG . 6990 1 1480 . 1 1 126 126 ASN N N 15 120.078 0.1 . 1 . . . . 117 ASN N . 6990 1 1481 . 1 1 126 126 ASN ND2 N 15 113.653 0.1 . 1 . . . . 117 ASN ND2 . 6990 1 1482 . 1 1 127 127 GLY H H 1 7.832 0.02 . 1 . . . . 118 GLY HN . 6990 1 1483 . 1 1 127 127 GLY HA2 H 1 3.960 0.02 . 2 . . . . 118 GLY HA1 . 6990 1 1484 . 1 1 127 127 GLY HA3 H 1 4.162 0.02 . 2 . . . . 118 GLY HA2 . 6990 1 1485 . 1 1 127 127 GLY C C 13 173.842 0.2 . 1 . . . . 118 GLY C . 6990 1 1486 . 1 1 127 127 GLY CA C 13 45.632 0.2 . 1 . . . . 118 GLY CA . 6990 1 1487 . 1 1 127 127 GLY N N 15 109.548 0.1 . 1 . . . . 118 GLY N . 6990 1 1488 . 1 1 128 128 ALA H H 1 7.650 0.02 . 1 . . . . 119 ALA HN . 6990 1 1489 . 1 1 128 128 ALA HA H 1 4.418 0.02 . 1 . . . . 119 ALA HA . 6990 1 1490 . 1 1 128 128 ALA HB1 H 1 1.436 0.02 . 1 . . . . 119 ALA HB1 . 6990 1 1491 . 1 1 128 128 ALA HB2 H 1 1.436 0.02 . 1 . . . . 119 ALA HB1 . 6990 1 1492 . 1 1 128 128 ALA HB3 H 1 1.436 0.02 . 1 . . . . 119 ALA HB1 . 6990 1 1493 . 1 1 128 128 ALA C C 13 176.640 0.2 . 1 . . . . 119 ALA C . 6990 1 1494 . 1 1 128 128 ALA CA C 13 52.189 0.2 . 1 . . . . 119 ALA CA . 6990 1 1495 . 1 1 128 128 ALA CB C 13 19.515 0.2 . 1 . . . . 119 ALA CB . 6990 1 1496 . 1 1 128 128 ALA N N 15 124.782 0.1 . 1 . . . . 119 ALA N . 6990 1 1497 . 1 1 129 129 ASN H H 1 7.789 0.02 . 1 . . . . 120 ASN HN . 6990 1 1498 . 1 1 129 129 ASN HA H 1 4.532 0.02 . 1 . . . . 120 ASN HA . 6990 1 1499 . 1 1 129 129 ASN HB2 H 1 2.731 0.02 . 2 . . . . 120 ASN HB1 . 6990 1 1500 . 1 1 129 129 ASN HB3 H 1 2.842 0.02 . 2 . . . . 120 ASN HB2 . 6990 1 1501 . 1 1 129 129 ASN HD21 H 1 7.277 0.02 . 2 . . . . 120 ASN HD21 . 6990 1 1502 . 1 1 129 129 ASN HD22 H 1 6.996 0.02 . 2 . . . . 120 ASN HD22 . 6990 1 1503 . 1 1 129 129 ASN C C 13 179.857 0.2 . 1 . . . . 120 ASN C . 6990 1 1504 . 1 1 129 129 ASN CA C 13 54.551 0.2 . 1 . . . . 120 ASN CA . 6990 1 1505 . 1 1 129 129 ASN CB C 13 40.483 0.2 . 1 . . . . 120 ASN CB . 6990 1 1506 . 1 1 129 129 ASN CG C 13 179.627 0.2 . 1 . . . . 120 ASN CG . 6990 1 1507 . 1 1 129 129 ASN N N 15 124.167 0.1 . 1 . . . . 120 ASN N . 6990 1 1508 . 1 1 129 129 ASN ND2 N 15 110.794 0.1 . 1 . . . . 120 ASN ND2 . 6990 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 381 6990 1 1 382 6990 1 2 700 6990 1 2 701 6990 1 2 703 6990 1 2 704 6990 1 3 708 6990 1 3 709 6990 1 3 711 6990 1 3 712 6990 1 4 787 6990 1 4 788 6990 1 4 790 6990 1 4 791 6990 1 5 795 6990 1 5 796 6990 1 5 798 6990 1 5 799 6990 1 stop_ save_