data_5772 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5772 _Entry.Title ; Backbone 1H, 13C and 15N chemical shifts of CBM13 from Streptomyces lividans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-14 _Entry.Accession_date 2003-03-14 _Entry.Last_release_date 2003-05-22 _Entry.Original_release_date 2003-05-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Manuela Schaerpf . . . 5772 2 Lawrence McIntosh . P. . 5772 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5772 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 537 5772 '13C chemical shifts' 481 5772 '15N chemical shifts' 149 5772 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-05-22 2003-04-14 original author . 5772 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5772 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21911662 _Citation.DOI . _Citation.PubMed_ID 11914071 _Citation.Full_citation . _Citation.Title ; Site-specific Characterization of the Association of Xylooligosaccharides with the CBM13 Lectin-like Xylan Binding Domain from Streptomyces lividans Xylanase 10A by NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 13 _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 4255 _Citation.Page_last 4263 _Citation.Year 2002 _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 Manuela Scharpf . . . 5772 1 2 G. Connelly . P. . 5772 1 3 G. Lee . M. . 5772 1 4 A. Boraston . B. . 5772 1 5 R. Warren . A. . 5772 1 6 Lawrence McIntosh . P. . 5772 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID glucanase 5772 1 'carbohydrate binding module' 5772 1 'trefoil structure' 5772 1 '15N relaxation' 5772 1 dynamics 5772 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CBM13 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CBM13 _Assembly.Entry_ID 5772 _Assembly.ID 1 _Assembly.Name SlxA_CBM13 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.2.1.8 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5772 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 CBM13 1 $CBM13 . . . native . . . . . 5772 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SlxA_CBM13 system 5772 1 CBM13 abbreviation 5772 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'xylan binding' 5772 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBM13 _Entity.Sf_category entity _Entity.Sf_framecode CBM13 _Entity.Entry_ID 5772 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'family 13 carbohydrate binding modul' _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 ; HHHHHHIEGRASEPPADGGQ IKGVGSGRCLDVPDASTSDG TQLQLWDCHSGTNQQWAATD AGELRVYGDKCLDAAGTSNG SKVQIYSCWGGDNQKWRLNS DGSVVGVQSGLCLDAVGNGT ANGTLIQLYTCSNGSNQRWT RT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15035.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KNL . "Streptomyces Lividans Xylan Binding Domain Cbm13" . . . . . 91.55 130 100.00 100.00 7.79e-87 . . . . 5772 1 2 no PDB 1MC9 . "Strepromyces Lividans Xylan Binding Domain Cbm13 In Complex With Xylopentaose" . . . . . 91.55 130 100.00 100.00 7.79e-87 . . . . 5772 1 3 no EMBL CAD55241 . "xylanase A [Streptomyces coelicolor A3(2)]" . . . . . 94.37 477 97.76 98.51 2.02e-85 . . . . 5772 1 4 no GB AAC26525 . "xylanase A precursor [Streptomyces lividans 1326]" . . . . . 94.37 477 98.51 99.25 2.95e-86 . . . . 5772 1 5 no GB AIJ12797 . "Endo-1,4-beta-xylanase A [Streptomyces lividans TK24]" . . . . . 94.37 477 98.51 99.25 2.95e-86 . . . . 5772 1 6 no GB EFD66158 . "xylanase A [Streptomyces lividans TK24]" . . . . . 94.37 477 98.51 99.25 2.95e-86 . . . . 5772 1 7 no GB EOY50917 . "Endo-1,4-beta-xylanase A precursor [Streptomyces lividans 1326]" . . . . . 94.37 477 98.51 99.25 2.95e-86 . . . . 5772 1 8 no REF NP_733679 . "xylanase A, partial [Streptomyces coelicolor A3(2)]" . . . . . 94.37 477 97.76 98.51 2.02e-85 . . . . 5772 1 9 no REF WP_003973090 . "MULTISPECIES: endo-1,4-beta-xylanase [Streptomyces]" . . . . . 94.37 477 98.51 99.25 2.95e-86 . . . . 5772 1 10 no REF WP_011030540 . "endo-1,4-beta-xylanase, partial [Streptomyces coelicolor]" . . . . . 94.37 477 97.76 98.51 2.02e-85 . . . . 5772 1 11 no SP P26514 . "RecName: Full=Endo-1,4-beta-xylanase A; Short=Xylanase A; AltName: Full=1,4-beta-D-xylan xylanohydrolase A; Flags: Precursor [S" . . . . . 94.37 477 98.51 99.25 2.95e-86 . . . . 5772 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'family 13 carbohydrate binding modul' common 5772 1 CBM13 abbreviation 5772 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 . HIS . 5772 1 2 . HIS . 5772 1 3 . HIS . 5772 1 4 . HIS . 5772 1 5 . HIS . 5772 1 6 . HIS . 5772 1 7 . ILE . 5772 1 8 . GLU . 5772 1 9 . GLY . 5772 1 10 . ARG . 5772 1 11 . ALA . 5772 1 12 . SER . 5772 1 13 . GLU . 5772 1 14 . PRO . 5772 1 15 . PRO . 5772 1 16 . ALA . 5772 1 17 . ASP . 5772 1 18 . GLY . 5772 1 19 . GLY . 5772 1 20 . GLN . 5772 1 21 . ILE . 5772 1 22 . LYS . 5772 1 23 . GLY . 5772 1 24 . VAL . 5772 1 25 . GLY . 5772 1 26 . SER . 5772 1 27 . GLY . 5772 1 28 . ARG . 5772 1 29 . CYS . 5772 1 30 . LEU . 5772 1 31 . ASP . 5772 1 32 . VAL . 5772 1 33 . PRO . 5772 1 34 . ASP . 5772 1 35 . ALA . 5772 1 36 . SER . 5772 1 37 . THR . 5772 1 38 . SER . 5772 1 39 . ASP . 5772 1 40 . GLY . 5772 1 41 . THR . 5772 1 42 . GLN . 5772 1 43 . LEU . 5772 1 44 . GLN . 5772 1 45 . LEU . 5772 1 46 . TRP . 5772 1 47 . ASP . 5772 1 48 . CYS . 5772 1 49 . HIS . 5772 1 50 . SER . 5772 1 51 . GLY . 5772 1 52 . THR . 5772 1 53 . ASN . 5772 1 54 . GLN . 5772 1 55 . GLN . 5772 1 56 . TRP . 5772 1 57 . ALA . 5772 1 58 . ALA . 5772 1 59 . THR . 5772 1 60 . ASP . 5772 1 61 . ALA . 5772 1 62 . GLY . 5772 1 63 . GLU . 5772 1 64 . LEU . 5772 1 65 . ARG . 5772 1 66 . VAL . 5772 1 67 . TYR . 5772 1 68 . GLY . 5772 1 69 . ASP . 5772 1 70 . LYS . 5772 1 71 . CYS . 5772 1 72 . LEU . 5772 1 73 . ASP . 5772 1 74 . ALA . 5772 1 75 . ALA . 5772 1 76 . GLY . 5772 1 77 . THR . 5772 1 78 . SER . 5772 1 79 . ASN . 5772 1 80 . GLY . 5772 1 81 . SER . 5772 1 82 . LYS . 5772 1 83 . VAL . 5772 1 84 . GLN . 5772 1 85 . ILE . 5772 1 86 . TYR . 5772 1 87 . SER . 5772 1 88 . CYS . 5772 1 89 . TRP . 5772 1 90 . GLY . 5772 1 91 . GLY . 5772 1 92 . ASP . 5772 1 93 . ASN . 5772 1 94 . GLN . 5772 1 95 . LYS . 5772 1 96 . TRP . 5772 1 97 . ARG . 5772 1 98 . LEU . 5772 1 99 . ASN . 5772 1 100 . SER . 5772 1 101 . ASP . 5772 1 102 . GLY . 5772 1 103 . SER . 5772 1 104 . VAL . 5772 1 105 . VAL . 5772 1 106 . GLY . 5772 1 107 . VAL . 5772 1 108 . GLN . 5772 1 109 . SER . 5772 1 110 . GLY . 5772 1 111 . LEU . 5772 1 112 . CYS . 5772 1 113 . LEU . 5772 1 114 . ASP . 5772 1 115 . ALA . 5772 1 116 . VAL . 5772 1 117 . GLY . 5772 1 118 . ASN . 5772 1 119 . GLY . 5772 1 120 . THR . 5772 1 121 . ALA . 5772 1 122 . ASN . 5772 1 123 . GLY . 5772 1 124 . THR . 5772 1 125 . LEU . 5772 1 126 . ILE . 5772 1 127 . GLN . 5772 1 128 . LEU . 5772 1 129 . TYR . 5772 1 130 . THR . 5772 1 131 . CYS . 5772 1 132 . SER . 5772 1 133 . ASN . 5772 1 134 . GLY . 5772 1 135 . SER . 5772 1 136 . ASN . 5772 1 137 . GLN . 5772 1 138 . ARG . 5772 1 139 . TRP . 5772 1 140 . THR . 5772 1 141 . ARG . 5772 1 142 . THR . 5772 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 . HIS 1 1 5772 1 . HIS 2 2 5772 1 . HIS 3 3 5772 1 . HIS 4 4 5772 1 . HIS 5 5 5772 1 . HIS 6 6 5772 1 . ILE 7 7 5772 1 . GLU 8 8 5772 1 . GLY 9 9 5772 1 . ARG 10 10 5772 1 . ALA 11 11 5772 1 . SER 12 12 5772 1 . GLU 13 13 5772 1 . PRO 14 14 5772 1 . PRO 15 15 5772 1 . ALA 16 16 5772 1 . ASP 17 17 5772 1 . GLY 18 18 5772 1 . GLY 19 19 5772 1 . GLN 20 20 5772 1 . ILE 21 21 5772 1 . LYS 22 22 5772 1 . GLY 23 23 5772 1 . VAL 24 24 5772 1 . GLY 25 25 5772 1 . SER 26 26 5772 1 . GLY 27 27 5772 1 . ARG 28 28 5772 1 . CYS 29 29 5772 1 . LEU 30 30 5772 1 . ASP 31 31 5772 1 . VAL 32 32 5772 1 . PRO 33 33 5772 1 . ASP 34 34 5772 1 . ALA 35 35 5772 1 . SER 36 36 5772 1 . THR 37 37 5772 1 . SER 38 38 5772 1 . ASP 39 39 5772 1 . GLY 40 40 5772 1 . THR 41 41 5772 1 . GLN 42 42 5772 1 . LEU 43 43 5772 1 . GLN 44 44 5772 1 . LEU 45 45 5772 1 . TRP 46 46 5772 1 . ASP 47 47 5772 1 . CYS 48 48 5772 1 . HIS 49 49 5772 1 . SER 50 50 5772 1 . GLY 51 51 5772 1 . THR 52 52 5772 1 . ASN 53 53 5772 1 . GLN 54 54 5772 1 . GLN 55 55 5772 1 . TRP 56 56 5772 1 . ALA 57 57 5772 1 . ALA 58 58 5772 1 . THR 59 59 5772 1 . ASP 60 60 5772 1 . ALA 61 61 5772 1 . GLY 62 62 5772 1 . GLU 63 63 5772 1 . LEU 64 64 5772 1 . ARG 65 65 5772 1 . VAL 66 66 5772 1 . TYR 67 67 5772 1 . GLY 68 68 5772 1 . ASP 69 69 5772 1 . LYS 70 70 5772 1 . CYS 71 71 5772 1 . LEU 72 72 5772 1 . ASP 73 73 5772 1 . ALA 74 74 5772 1 . ALA 75 75 5772 1 . GLY 76 76 5772 1 . THR 77 77 5772 1 . SER 78 78 5772 1 . ASN 79 79 5772 1 . GLY 80 80 5772 1 . SER 81 81 5772 1 . LYS 82 82 5772 1 . VAL 83 83 5772 1 . GLN 84 84 5772 1 . ILE 85 85 5772 1 . TYR 86 86 5772 1 . SER 87 87 5772 1 . CYS 88 88 5772 1 . TRP 89 89 5772 1 . GLY 90 90 5772 1 . GLY 91 91 5772 1 . ASP 92 92 5772 1 . ASN 93 93 5772 1 . GLN 94 94 5772 1 . LYS 95 95 5772 1 . TRP 96 96 5772 1 . ARG 97 97 5772 1 . LEU 98 98 5772 1 . ASN 99 99 5772 1 . SER 100 100 5772 1 . ASP 101 101 5772 1 . GLY 102 102 5772 1 . SER 103 103 5772 1 . VAL 104 104 5772 1 . VAL 105 105 5772 1 . GLY 106 106 5772 1 . VAL 107 107 5772 1 . GLN 108 108 5772 1 . SER 109 109 5772 1 . GLY 110 110 5772 1 . LEU 111 111 5772 1 . CYS 112 112 5772 1 . LEU 113 113 5772 1 . ASP 114 114 5772 1 . ALA 115 115 5772 1 . VAL 116 116 5772 1 . GLY 117 117 5772 1 . ASN 118 118 5772 1 . GLY 119 119 5772 1 . THR 120 120 5772 1 . ALA 121 121 5772 1 . ASN 122 122 5772 1 . GLY 123 123 5772 1 . THR 124 124 5772 1 . LEU 125 125 5772 1 . ILE 126 126 5772 1 . GLN 127 127 5772 1 . LEU 128 128 5772 1 . TYR 129 129 5772 1 . THR 130 130 5772 1 . CYS 131 131 5772 1 . SER 132 132 5772 1 . ASN 133 133 5772 1 . GLY 134 134 5772 1 . SER 135 135 5772 1 . ASN 136 136 5772 1 . GLN 137 137 5772 1 . ARG 138 138 5772 1 . TRP 139 139 5772 1 . THR 140 140 5772 1 . ARG 141 141 5772 1 . THR 142 142 5772 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 5772 _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 $CBM13 . 1916 . . 'Streptomyces lividans' 'Streptomyces lividans' . . Eubacteria . Streptomyces lividans . . . . . . . . . . . . . . . . . . . . . 5772 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 5772 _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 $CBM13 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5772 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'family 13 carbohydrate binding modul' '[U-13C; U-15N]' . . 1 $CBM13 . . 1 . . mM . . . . 5772 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 5772 1 3 'potassium chloride' . . . . . . . 50 . . mM . . . . 5772 1 stop_ save_ ####################### # Sample conditions # ####################### save_SlxA_CBM13_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode SlxA_CBM13_conditions _Sample_condition_list.Entry_ID 5772 _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 6.1 0.1 na 5772 1 temperature 303 2 K 5772 1 'ionic strength' 0.1 0.02 M 5772 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5772 _Software.ID 1 _Software.Name FELIX _Software.Version '95 and 2000' _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5772 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5772 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer VARIAN UNITY . 500 . . . 5772 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5772 _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 1H-15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 4 CC-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 5 HCC-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 8 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 9 HMQC-NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5772 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5772 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HMQC-NH2 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5772 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5772 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5772 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5772 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_CS_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_1 _Assigned_chem_shift_list.Entry_ID 5772 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $SlxA_CBM13_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 1H-15N-HSQC 1 $sample_1 . 5772 1 2 HNCACB 1 $sample_1 . 5772 1 3 CBCACONH 1 $sample_1 . 5772 1 4 CC-TOCSY 1 $sample_1 . 5772 1 5 HCC-TOCSY 1 $sample_1 . 5772 1 6 HNCO 1 $sample_1 . 5772 1 7 HNHA 1 $sample_1 . 5772 1 8 HNHB 1 $sample_1 . 5772 1 9 HMQC-NH2 1 $sample_1 . 5772 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 7 7 ILE H H 1 8.094 0.2 . 1 . . . . . . . . 5772 1 2 . 1 1 7 7 ILE C C 13 174.58 0.3 . 1 . . . . . . . . 5772 1 3 . 1 1 7 7 ILE CA C 13 60.878 0.3 . 1 . . . . . . . . 5772 1 4 . 1 1 7 7 ILE CB C 13 38.888 0.3 . 1 . . . . . . . . 5772 1 5 . 1 1 7 7 ILE CG1 C 13 27.012 0.3 . 1 . . . . . . . . 5772 1 6 . 1 1 7 7 ILE CG2 C 13 12.602 0.3 . 2 . . . . . . . . 5772 1 7 . 1 1 7 7 ILE CD1 C 13 12.602 0.3 . 2 . . . . . . . . 5772 1 8 . 1 1 7 7 ILE N N 15 123.35 0.2 . 1 . . . . . . . . 5772 1 9 . 1 1 8 8 GLU H H 1 8.478 0.02 . 1 . . . . . . . . 5772 1 10 . 1 1 8 8 GLU HA H 1 4.464 0.02 . 1 . . . . . . . . 5772 1 11 . 1 1 8 8 GLU C C 13 175.85 0.3 . 1 . . . . . . . . 5772 1 12 . 1 1 8 8 GLU CA C 13 56.645 0.3 . 1 . . . . . . . . 5772 1 13 . 1 1 8 8 GLU CB C 13 30.26 0.3 . 2 . . . . . . . . 5772 1 14 . 1 1 8 8 GLU CG C 13 36.023 0.3 . 2 . . . . . . . . 5772 1 15 . 1 1 8 8 GLU N N 15 125.572 0.2 . 1 . . . . . . . . 5772 1 16 . 1 1 9 9 GLY H H 1 8.398 0.02 . 1 . . . . . . . . 5772 1 17 . 1 1 9 9 GLY HA2 H 1 4.68 0.02 . 1 . . . . . . . . 5772 1 18 . 1 1 9 9 GLY HA3 H 1 4.68 0.02 . 1 . . . . . . . . 5772 1 19 . 1 1 9 9 GLY C C 13 176.807 0.3 . 1 . . . . . . . . 5772 1 20 . 1 1 9 9 GLY CA C 13 45.305 0.3 . 1 . . . . . . . . 5772 1 21 . 1 1 9 9 GLY N N 15 110.68 0.2 . 1 . . . . . . . . 5772 1 22 . 1 1 10 10 ARG H H 1 8.064 0.02 . 1 . . . . . . . . 5772 1 23 . 1 1 10 10 ARG C C 13 173.95 0.3 . 1 . . . . . . . . 5772 1 24 . 1 1 10 10 ARG CA C 13 55.725 0.3 . 1 . . . . . . . . 5772 1 25 . 1 1 10 10 ARG CB C 13 31.024 0.3 . 2 . . . . . . . . 5772 1 26 . 1 1 10 10 ARG CG C 13 26.79 0.3 . 2 . . . . . . . . 5772 1 27 . 1 1 10 10 ARG CD C 13 43.277 0.3 . 1 . . . . . . . . 5772 1 28 . 1 1 10 10 ARG N N 15 120.666 0.2 . 1 . . . . . . . . 5772 1 29 . 1 1 11 11 ALA HB1 H 1 1.393 0.02 . 1 . . . . . . . . 5772 1 30 . 1 1 11 11 ALA HB2 H 1 1.393 0.02 . 1 . . . . . . . . 5772 1 31 . 1 1 11 11 ALA HB3 H 1 1.393 0.02 . 1 . . . . . . . . 5772 1 32 . 1 1 11 11 ALA C C 13 175.99 0.3 . 1 . . . . . . . . 5772 1 33 . 1 1 11 11 ALA CA C 13 52.501 0.3 . 1 . . . . . . . . 5772 1 34 . 1 1 11 11 ALA CB C 13 19.362 0.3 . 1 . . . . . . . . 5772 1 35 . 1 1 11 11 ALA N N 15 125.979 0.2 . 1 . . . . . . . . 5772 1 36 . 1 1 12 12 SER H H 1 8.188 0.02 . 1 . . . . . . . . 5772 1 37 . 1 1 12 12 SER HA H 1 4.393 0.02 . 1 . . . . . . . . 5772 1 38 . 1 1 12 12 SER HB2 H 1 3.828 0.02 . 1 . . . . . . . . 5772 1 39 . 1 1 12 12 SER HB3 H 1 3.828 0.02 . 1 . . . . . . . . 5772 1 40 . 1 1 12 12 SER C C 13 177.61 0.3 . 1 . . . . . . . . 5772 1 41 . 1 1 12 12 SER CA C 13 58.055 0.3 . 1 . . . . . . . . 5772 1 42 . 1 1 12 12 SER CB C 13 63.763 0.3 . 1 . . . . . . . . 5772 1 43 . 1 1 12 12 SER N N 15 115.255 0.2 . 1 . . . . . . . . 5772 1 44 . 1 1 13 13 GLU H H 1 8.194 0.02 . 1 . . . . . . . . 5772 1 45 . 1 1 13 13 GLU HA H 1 4.6 0.02 . 1 . . . . . . . . 5772 1 46 . 1 1 13 13 GLU HB2 H 1 2 0.02 . 1 . . . . . . . . 5772 1 47 . 1 1 13 13 GLU HB3 H 1 2 0.02 . 1 . . . . . . . . 5772 1 48 . 1 1 13 13 GLU C C 13 173.99 0.3 . 1 . . . . . . . . 5772 1 49 . 1 1 13 13 GLU CA C 13 54.246 0.3 . 1 . . . . . . . . 5772 1 50 . 1 1 13 13 GLU CB C 13 29.84 0.3 . 1 . . . . . . . . 5772 1 51 . 1 1 13 13 GLU N N 15 123.715 0.2 . 1 . . . . . . . . 5772 1 52 . 1 1 15 15 PRO CA C 13 62.727 0.3 . 1 . . . . . . . . 5772 1 53 . 1 1 15 15 PRO CB C 13 31.987 0.3 . 1 . . . . . . . . 5772 1 54 . 1 1 15 15 PRO CG C 13 27.205 0.3 . 1 . . . . . . . . 5772 1 55 . 1 1 15 15 PRO CD C 13 50.442 0.3 . 1 . . . . . . . . 5772 1 56 . 1 1 16 16 ALA H H 1 8.347 0.02 . 1 . . . . . . . . 5772 1 57 . 1 1 16 16 ALA HB1 H 1 1.357 0.02 . 1 . . . . . . . . 5772 1 58 . 1 1 16 16 ALA HB2 H 1 1.357 0.02 . 1 . . . . . . . . 5772 1 59 . 1 1 16 16 ALA HB3 H 1 1.357 0.02 . 1 . . . . . . . . 5772 1 60 . 1 1 16 16 ALA C C 13 176.62 0.3 . 1 . . . . . . . . 5772 1 61 . 1 1 16 16 ALA CA C 13 52.265 0.3 . 1 . . . . . . . . 5772 1 62 . 1 1 16 16 ALA CB C 13 19.476 0.3 . 1 . . . . . . . . 5772 1 63 . 1 1 16 16 ALA N N 15 125.026 0.2 . 1 . . . . . . . . 5772 1 64 . 1 1 17 17 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 5772 1 65 . 1 1 17 17 ASP HA H 1 4.591 0.02 . 1 . . . . . . . . 5772 1 66 . 1 1 17 17 ASP HB2 H 1 2.617 0.02 . 1 . . . . . . . . 5772 1 67 . 1 1 17 17 ASP HB3 H 1 2.617 0.02 . 1 . . . . . . . . 5772 1 68 . 1 1 17 17 ASP CA C 13 54.059 0.3 . 1 . . . . . . . . 5772 1 69 . 1 1 17 17 ASP CB C 13 41.725 0.3 . 1 . . . . . . . . 5772 1 70 . 1 1 17 17 ASP N N 15 119.262 0.2 . 1 . . . . . . . . 5772 1 71 . 1 1 18 18 GLY H H 1 8.141 0.02 . 1 . . . . . . . . 5772 1 72 . 1 1 18 18 GLY HA2 H 1 4.048 0.02 . 1 . . . . . . . . 5772 1 73 . 1 1 18 18 GLY HA3 H 1 4.048 0.02 . 1 . . . . . . . . 5772 1 74 . 1 1 18 18 GLY C C 13 176.24 0.3 . 1 . . . . . . . . 5772 1 75 . 1 1 18 18 GLY CA C 13 45.044 0.3 . 1 . . . . . . . . 5772 1 76 . 1 1 18 18 GLY N N 15 108.589 0.2 . 1 . . . . . . . . 5772 1 77 . 1 1 19 19 GLY H H 1 8.242 0.02 . 1 . . . . . . . . 5772 1 78 . 1 1 19 19 GLY HA2 H 1 4.209 0.02 . 1 . . . . . . . . 5772 1 79 . 1 1 19 19 GLY HA3 H 1 4.209 0.02 . 1 . . . . . . . . 5772 1 80 . 1 1 19 19 GLY C C 13 173.57 0.3 . 1 . . . . . . . . 5772 1 81 . 1 1 19 19 GLY CA C 13 45.295 0.3 . 1 . . . . . . . . 5772 1 82 . 1 1 19 19 GLY N N 15 108.33 0.2 . 1 . . . . . . . . 5772 1 83 . 1 1 20 20 GLN H H 1 8.265 0.02 . 1 . . . . . . . . 5772 1 84 . 1 1 20 20 GLN HA H 1 4.948 0.02 . 1 . . . . . . . . 5772 1 85 . 1 1 20 20 GLN HE21 H 1 7.32 0.02 . 1 . . . . . . . . 5772 1 86 . 1 1 20 20 GLN HE22 H 1 6.81 0.02 . 1 . . . . . . . . 5772 1 87 . 1 1 20 20 GLN CA C 13 55.643 0.3 . 1 . . . . . . . . 5772 1 88 . 1 1 20 20 GLN CB C 13 29.73 0.3 . 1 . . . . . . . . 5772 1 89 . 1 1 20 20 GLN CD C 13 179.9 0.3 . 1 . . . . . . . . 5772 1 90 . 1 1 20 20 GLN N N 15 119.202 0.2 . 1 . . . . . . . . 5772 1 91 . 1 1 20 20 GLN NE2 N 15 113.8 0.2 . 1 . . . . . . . . 5772 1 92 . 1 1 21 21 ILE H H 1 9.217 0.02 . 1 . . . . . . . . 5772 1 93 . 1 1 21 21 ILE HA H 1 4.32 0.02 . 1 . . . . . . . . 5772 1 94 . 1 1 21 21 ILE HB H 1 1.526 0.02 . 1 . . . . . . . . 5772 1 95 . 1 1 21 21 ILE C C 13 174.11 0.3 . 1 . . . . . . . . 5772 1 96 . 1 1 21 21 ILE CA C 13 62.616 0.3 . 1 . . . . . . . . 5772 1 97 . 1 1 21 21 ILE CB C 13 32.195 0.3 . 1 . . . . . . . . 5772 1 98 . 1 1 21 21 ILE CG1 C 13 21.063 0.3 . 1 . . . . . . . . 5772 1 99 . 1 1 21 21 ILE N N 15 123.846 0.2 . 1 . . . . . . . . 5772 1 100 . 1 1 22 22 LYS H H 1 9.173 0.02 . 1 . . . . . . . . 5772 1 101 . 1 1 22 22 LYS HA H 1 4.998 0.02 . 1 . . . . . . . . 5772 1 102 . 1 1 22 22 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5772 1 103 . 1 1 22 22 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5772 1 104 . 1 1 22 22 LYS HE2 H 1 2.833 0.02 . 1 . . . . . . . . 5772 1 105 . 1 1 22 22 LYS HE3 H 1 2.833 0.02 . 1 . . . . . . . . 5772 1 106 . 1 1 22 22 LYS C C 13 173.36 0.3 . 1 . . . . . . . . 5772 1 107 . 1 1 22 22 LYS CA C 13 54.777 0.3 . 1 . . . . . . . . 5772 1 108 . 1 1 22 22 LYS CB C 13 35.746 0.3 . 1 . . . . . . . . 5772 1 109 . 1 1 22 22 LYS CG C 13 24.63 0.3 . 1 . . . . . . . . 5772 1 110 . 1 1 22 22 LYS CD C 13 29.919 0.3 . 1 . . . . . . . . 5772 1 111 . 1 1 22 22 LYS CE C 13 41.802 0.3 . 1 . . . . . . . . 5772 1 112 . 1 1 22 22 LYS N N 15 128.081 0.2 . 1 . . . . . . . . 5772 1 113 . 1 1 23 23 GLY H H 1 9.936 0.02 . 1 . . . . . . . . 5772 1 114 . 1 1 23 23 GLY HA2 H 1 3.696 0.02 . 1 . . . . . . . . 5772 1 115 . 1 1 23 23 GLY HA3 H 1 3.696 0.02 . 1 . . . . . . . . 5772 1 116 . 1 1 23 23 GLY C C 13 176.78 0.3 . 1 . . . . . . . . 5772 1 117 . 1 1 23 23 GLY CA C 13 46.764 0.3 . 1 . . . . . . . . 5772 1 118 . 1 1 23 23 GLY N N 15 115.983 0.2 . 1 . . . . . . . . 5772 1 119 . 1 1 24 24 VAL H H 1 8.332 0.02 . 1 . . . . . . . . 5772 1 120 . 1 1 24 24 VAL HA H 1 3.466 0.02 . 1 . . . . . . . . 5772 1 121 . 1 1 24 24 VAL HB H 1 1.656 0.02 . 1 . . . . . . . . 5772 1 122 . 1 1 24 24 VAL HG11 H 1 0.759 0.02 . 1 . . . . . . . . 5772 1 123 . 1 1 24 24 VAL HG12 H 1 0.759 0.02 . 1 . . . . . . . . 5772 1 124 . 1 1 24 24 VAL HG13 H 1 0.759 0.02 . 1 . . . . . . . . 5772 1 125 . 1 1 24 24 VAL HG21 H 1 0.759 0.02 . 1 . . . . . . . . 5772 1 126 . 1 1 24 24 VAL HG22 H 1 0.759 0.02 . 1 . . . . . . . . 5772 1 127 . 1 1 24 24 VAL HG23 H 1 0.759 0.02 . 1 . . . . . . . . 5772 1 128 . 1 1 24 24 VAL C C 13 175.11 0.3 . 1 . . . . . . . . 5772 1 129 . 1 1 24 24 VAL CA C 13 65.786 0.3 . 1 . . . . . . . . 5772 1 130 . 1 1 24 24 VAL CB C 13 31.839 0.3 . 1 . . . . . . . . 5772 1 131 . 1 1 24 24 VAL CG1 C 13 23.095 0.3 . 2 . . . . . . . . 5772 1 132 . 1 1 24 24 VAL CG2 C 13 20.424 0.3 . 2 . . . . . . . . 5772 1 133 . 1 1 24 24 VAL N N 15 128.567 0.2 . 1 . . . . . . . . 5772 1 134 . 1 1 25 25 GLY H H 1 7.357 0.02 . 1 . . . . . . . . 5772 1 135 . 1 1 25 25 GLY HA2 H 1 3.361 0.02 . 1 . . . . . . . . 5772 1 136 . 1 1 25 25 GLY HA3 H 1 3.361 0.02 . 1 . . . . . . . . 5772 1 137 . 1 1 25 25 GLY C C 13 178.253 0.3 . 1 . . . . . . . . 5772 1 138 . 1 1 25 25 GLY CA C 13 47 0.3 . 1 . . . . . . . . 5772 1 139 . 1 1 25 25 GLY N N 15 104.465 0.2 . 1 . . . . . . . . 5772 1 140 . 1 1 26 26 SER H H 1 7.779 0.02 . 1 . . . . . . . . 5772 1 141 . 1 1 26 26 SER HA H 1 4.123 0.02 . 1 . . . . . . . . 5772 1 142 . 1 1 26 26 SER HB2 H 1 3.825 0.02 . 1 . . . . . . . . 5772 1 143 . 1 1 26 26 SER HB3 H 1 3.825 0.02 . 1 . . . . . . . . 5772 1 144 . 1 1 26 26 SER C C 13 174.17 0.3 . 1 . . . . . . . . 5772 1 145 . 1 1 26 26 SER CA C 13 58.553 0.3 . 1 . . . . . . . . 5772 1 146 . 1 1 26 26 SER CB C 13 65.153 0.3 . 1 . . . . . . . . 5772 1 147 . 1 1 26 26 SER N N 15 110.684 0.2 . 1 . . . . . . . . 5772 1 148 . 1 1 27 27 GLY H H 1 8.116 0.02 . 1 . . . . . . . . 5772 1 149 . 1 1 27 27 GLY HA2 H 1 4.041 0.02 . 1 . . . . . . . . 5772 1 150 . 1 1 27 27 GLY HA3 H 1 4.041 0.02 . 1 . . . . . . . . 5772 1 151 . 1 1 27 27 GLY C C 13 174.52 0.3 . 1 . . . . . . . . 5772 1 152 . 1 1 27 27 GLY CA C 13 46.237 0.3 . 1 . . . . . . . . 5772 1 153 . 1 1 27 27 GLY N N 15 112.862 0.2 . 1 . . . . . . . . 5772 1 154 . 1 1 28 28 ARG H H 1 8.016 0.02 . 1 . . . . . . . . 5772 1 155 . 1 1 28 28 ARG HA H 1 4.644 0.02 . 1 . . . . . . . . 5772 1 156 . 1 1 28 28 ARG HD2 H 1 3.408 0.02 . 1 . . . . . . . . 5772 1 157 . 1 1 28 28 ARG HD3 H 1 3.408 0.02 . 1 . . . . . . . . 5772 1 158 . 1 1 28 28 ARG C C 13 173.21 0.3 . 1 . . . . . . . . 5772 1 159 . 1 1 28 28 ARG CA C 13 56.239 0.3 . 1 . . . . . . . . 5772 1 160 . 1 1 28 28 ARG CB C 13 33.754 0.3 . 1 . . . . . . . . 5772 1 161 . 1 1 28 28 ARG CG C 13 31.018 0.3 . 1 . . . . . . . . 5772 1 162 . 1 1 28 28 ARG CD C 13 42.534 0.3 . 1 . . . . . . . . 5772 1 163 . 1 1 28 28 ARG N N 15 119.392 0.2 . 1 . . . . . . . . 5772 1 164 . 1 1 29 29 CYS H H 1 8.797 0.02 . 1 . . . . . . . . 5772 1 165 . 1 1 29 29 CYS HA H 1 5.474 0.02 . 1 . . . . . . . . 5772 1 166 . 1 1 29 29 CYS HB2 H 1 3.467 0.02 . 1 . . . . . . . . 5772 1 167 . 1 1 29 29 CYS HB3 H 1 3.467 0.02 . 1 . . . . . . . . 5772 1 168 . 1 1 29 29 CYS C C 13 173.18 0.3 . 1 . . . . . . . . 5772 1 169 . 1 1 29 29 CYS CA C 13 60.635 0.3 . 1 . . . . . . . . 5772 1 170 . 1 1 29 29 CYS CB C 13 43.495 0.3 . 1 . . . . . . . . 5772 1 171 . 1 1 29 29 CYS N N 15 119.088 0.2 . 1 . . . . . . . . 5772 1 172 . 1 1 30 30 LEU H H 1 8.608 0.02 . 1 . . . . . . . . 5772 1 173 . 1 1 30 30 LEU HA H 1 4.266 0.02 . 1 . . . . . . . . 5772 1 174 . 1 1 30 30 LEU C C 13 174.03 0.3 . 1 . . . . . . . . 5772 1 175 . 1 1 30 30 LEU CA C 13 56.3 0.3 . 1 . . . . . . . . 5772 1 176 . 1 1 30 30 LEU CB C 13 42.61 0.3 . 1 . . . . . . . . 5772 1 177 . 1 1 30 30 LEU CG C 13 26.206 0.3 . 1 . . . . . . . . 5772 1 178 . 1 1 30 30 LEU CD1 C 13 23.668 0.3 . 1 . . . . . . . . 5772 1 179 . 1 1 30 30 LEU N N 15 120.823 0.2 . 1 . . . . . . . . 5772 1 180 . 1 1 31 31 ASP H H 1 9.501 0.02 . 1 . . . . . . . . 5772 1 181 . 1 1 31 31 ASP HA H 1 5.171 0.02 . 1 . . . . . . . . 5772 1 182 . 1 1 31 31 ASP HB2 H 1 2.699 0.02 . 1 . . . . . . . . 5772 1 183 . 1 1 31 31 ASP HB3 H 1 2.699 0.02 . 1 . . . . . . . . 5772 1 184 . 1 1 31 31 ASP C C 13 176.63 0.3 . 1 . . . . . . . . 5772 1 185 . 1 1 31 31 ASP CA C 13 54.491 0.3 . 1 . . . . . . . . 5772 1 186 . 1 1 31 31 ASP CB C 13 48.64 0.3 . 1 . . . . . . . . 5772 1 187 . 1 1 31 31 ASP N N 15 134.222 0.2 . 1 . . . . . . . . 5772 1 188 . 1 1 32 32 VAL H H 1 7.645 0.02 . 1 . . . . . . . . 5772 1 189 . 1 1 32 32 VAL C C 13 173.892 0.3 . 1 . . . . . . . . 5772 1 190 . 1 1 32 32 VAL CA C 13 60 0.3 . 1 . . . . . . . . 5772 1 191 . 1 1 32 32 VAL CB C 13 32.227 0.3 . 1 . . . . . . . . 5772 1 192 . 1 1 32 32 VAL N N 15 123.399 0.2 . 1 . . . . . . . . 5772 1 193 . 1 1 33 33 PRO HA H 1 4.513 0.02 . 1 . . . . . . . . 5772 1 194 . 1 1 33 33 PRO HD2 H 1 3.658 0.02 . 1 . . . . . . . . 5772 1 195 . 1 1 33 33 PRO HD3 H 1 3.658 0.02 . 1 . . . . . . . . 5772 1 196 . 1 1 33 33 PRO CA C 13 63.984 0.3 . 1 . . . . . . . . 5772 1 197 . 1 1 33 33 PRO CB C 13 31.742 0.3 . 1 . . . . . . . . 5772 1 198 . 1 1 33 33 PRO CG C 13 26.923 0.3 . 1 . . . . . . . . 5772 1 199 . 1 1 33 33 PRO CD C 13 52.476 0.3 . 1 . . . . . . . . 5772 1 200 . 1 1 34 34 ASP H H 1 9.317 0.02 . 1 . . . . . . . . 5772 1 201 . 1 1 34 34 ASP HA H 1 4.041 0.02 . 1 . . . . . . . . 5772 1 202 . 1 1 34 34 ASP HB2 H 1 2.535 0.02 . 1 . . . . . . . . 5772 1 203 . 1 1 34 34 ASP HB3 H 1 2.535 0.02 . 1 . . . . . . . . 5772 1 204 . 1 1 34 34 ASP C C 13 177.83 0.3 . 1 . . . . . . . . 5772 1 205 . 1 1 34 34 ASP CA C 13 55.346 0.3 . 1 . . . . . . . . 5772 1 206 . 1 1 34 34 ASP CB C 13 39.668 0.3 . 1 . . . . . . . . 5772 1 207 . 1 1 34 34 ASP N N 15 122.125 0.2 . 1 . . . . . . . . 5772 1 208 . 1 1 35 35 ALA H H 1 8.247 0.02 . 1 . . . . . . . . 5772 1 209 . 1 1 35 35 ALA HA H 1 3.822 0.02 . 1 . . . . . . . . 5772 1 210 . 1 1 35 35 ALA HB1 H 1 1.311 0.02 . 1 . . . . . . . . 5772 1 211 . 1 1 35 35 ALA HB2 H 1 1.311 0.02 . 1 . . . . . . . . 5772 1 212 . 1 1 35 35 ALA HB3 H 1 1.311 0.02 . 1 . . . . . . . . 5772 1 213 . 1 1 35 35 ALA C C 13 175.22 0.3 . 1 . . . . . . . . 5772 1 214 . 1 1 35 35 ALA CA C 13 52.977 0.3 . 1 . . . . . . . . 5772 1 215 . 1 1 35 35 ALA CB C 13 16.291 0.3 . 1 . . . . . . . . 5772 1 216 . 1 1 35 35 ALA N N 15 117.371 0.2 . 1 . . . . . . . . 5772 1 217 . 1 1 36 36 SER H H 1 7.412 0.02 . 1 . . . . . . . . 5772 1 218 . 1 1 36 36 SER HA H 1 4.101 0.02 . 1 . . . . . . . . 5772 1 219 . 1 1 36 36 SER HB2 H 1 3.635 0.02 . 1 . . . . . . . . 5772 1 220 . 1 1 36 36 SER HB3 H 1 3.635 0.02 . 1 . . . . . . . . 5772 1 221 . 1 1 36 36 SER C C 13 176.25 0.3 . 1 . . . . . . . . 5772 1 222 . 1 1 36 36 SER CA C 13 58.259 0.3 . 1 . . . . . . . . 5772 1 223 . 1 1 36 36 SER CB C 13 64.39 0.3 . 1 . . . . . . . . 5772 1 224 . 1 1 36 36 SER N N 15 110.789 0.2 . 1 . . . . . . . . 5772 1 225 . 1 1 37 37 THR H H 1 8.276 0.02 . 1 . . . . . . . . 5772 1 226 . 1 1 37 37 THR HA H 1 4.259 0.02 . 1 . . . . . . . . 5772 1 227 . 1 1 37 37 THR HB H 1 4.259 0.02 . 1 . . . . . . . . 5772 1 228 . 1 1 37 37 THR HG21 H 1 0.374 0.02 . 1 . . . . . . . . 5772 1 229 . 1 1 37 37 THR HG22 H 1 0.374 0.02 . 1 . . . . . . . . 5772 1 230 . 1 1 37 37 THR HG23 H 1 0.374 0.02 . 1 . . . . . . . . 5772 1 231 . 1 1 37 37 THR C C 13 175.72 0.3 . 1 . . . . . . . . 5772 1 232 . 1 1 37 37 THR CA C 13 60.221 0.3 . 1 . . . . . . . . 5772 1 233 . 1 1 37 37 THR CB C 13 68.759 0.3 . 1 . . . . . . . . 5772 1 234 . 1 1 37 37 THR CG2 C 13 21.219 0.3 . 1 . . . . . . . . 5772 1 235 . 1 1 37 37 THR N N 15 114.494 0.2 . 1 . . . . . . . . 5772 1 236 . 1 1 38 38 SER H H 1 8.148 0.02 . 1 . . . . . . . . 5772 1 237 . 1 1 38 38 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 5772 1 238 . 1 1 38 38 SER HB2 H 1 3.69 0.02 . 1 . . . . . . . . 5772 1 239 . 1 1 38 38 SER HB3 H 1 3.69 0.02 . 1 . . . . . . . . 5772 1 240 . 1 1 38 38 SER C C 13 174.27 0.3 . 1 . . . . . . . . 5772 1 241 . 1 1 38 38 SER CA C 13 58.391 0.3 . 1 . . . . . . . . 5772 1 242 . 1 1 38 38 SER CB C 13 63.01 0.3 . 1 . . . . . . . . 5772 1 243 . 1 1 38 38 SER N N 15 118.183 0.2 . 1 . . . . . . . . 5772 1 244 . 1 1 39 39 ASP H H 1 8.698 0.02 . 1 . . . . . . . . 5772 1 245 . 1 1 39 39 ASP HA H 1 4.183 0.02 . 1 . . . . . . . . 5772 1 246 . 1 1 39 39 ASP HB2 H 1 2.212 0.02 . 1 . . . . . . . . 5772 1 247 . 1 1 39 39 ASP HB3 H 1 2.212 0.02 . 1 . . . . . . . . 5772 1 248 . 1 1 39 39 ASP C C 13 174.72 0.3 . 1 . . . . . . . . 5772 1 249 . 1 1 39 39 ASP CA C 13 55.865 0.3 . 1 . . . . . . . . 5772 1 250 . 1 1 39 39 ASP CB C 13 39.489 0.3 . 1 . . . . . . . . 5772 1 251 . 1 1 39 39 ASP N N 15 128.448 0.2 . 1 . . . . . . . . 5772 1 252 . 1 1 40 40 GLY H H 1 9.134 0.02 . 1 . . . . . . . . 5772 1 253 . 1 1 40 40 GLY HA2 H 1 4.342 0.02 . 1 . . . . . . . . 5772 1 254 . 1 1 40 40 GLY HA3 H 1 4.342 0.02 . 1 . . . . . . . . 5772 1 255 . 1 1 40 40 GLY C C 13 177.365 0.3 . 1 . . . . . . . . 5772 1 256 . 1 1 40 40 GLY CA C 13 44.475 0.3 . 1 . . . . . . . . 5772 1 257 . 1 1 40 40 GLY N N 15 109.812 0.2 . 1 . . . . . . . . 5772 1 258 . 1 1 41 41 THR H H 1 7.256 0.02 . 1 . . . . . . . . 5772 1 259 . 1 1 41 41 THR HA H 1 4.092 0.02 . 2 . . . . . . . . 5772 1 260 . 1 1 41 41 THR HB H 1 3.957 0.02 . 2 . . . . . . . . 5772 1 261 . 1 1 41 41 THR HG21 H 1 1.336 0.02 . 1 . . . . . . . . 5772 1 262 . 1 1 41 41 THR HG22 H 1 1.336 0.02 . 1 . . . . . . . . 5772 1 263 . 1 1 41 41 THR HG23 H 1 1.336 0.02 . 1 . . . . . . . . 5772 1 264 . 1 1 41 41 THR C C 13 174.22 0.3 . 1 . . . . . . . . 5772 1 265 . 1 1 41 41 THR CA C 13 64.233 0.3 . 1 . . . . . . . . 5772 1 266 . 1 1 41 41 THR CB C 13 69.129 0.3 . 1 . . . . . . . . 5772 1 267 . 1 1 41 41 THR CG2 C 13 21.742 0.3 . 1 . . . . . . . . 5772 1 268 . 1 1 41 41 THR N N 15 117.365 0.2 . 1 . . . . . . . . 5772 1 269 . 1 1 42 42 GLN H H 1 8.854 0.02 . 1 . . . . . . . . 5772 1 270 . 1 1 42 42 GLN HA H 1 4.587 0.02 . 1 . . . . . . . . 5772 1 271 . 1 1 42 42 GLN HE21 H 1 8.18 0.02 . 2 . . . . . . . . 5772 1 272 . 1 1 42 42 GLN HE22 H 1 7.41 0.02 . 2 . . . . . . . . 5772 1 273 . 1 1 42 42 GLN C C 13 173.38 0.3 . 1 . . . . . . . . 5772 1 274 . 1 1 42 42 GLN CA C 13 56.279 0.3 . 1 . . . . . . . . 5772 1 275 . 1 1 42 42 GLN CB C 13 27.996 0.3 . 1 . . . . . . . . 5772 1 276 . 1 1 42 42 GLN CG C 13 33.741 0.3 . 1 . . . . . . . . 5772 1 277 . 1 1 42 42 GLN CD C 13 179.6 0.3 . 1 . . . . . . . . 5772 1 278 . 1 1 42 42 GLN N N 15 129.631 0.2 . 1 . . . . . . . . 5772 1 279 . 1 1 42 42 GLN NE2 N 15 110.5 0.2 . 1 . . . . . . . . 5772 1 280 . 1 1 43 43 LEU H H 1 7.882 0.02 . 1 . . . . . . . . 5772 1 281 . 1 1 43 43 LEU HA H 1 4.43 0.02 . 1 . . . . . . . . 5772 1 282 . 1 1 43 43 LEU C C 13 174.772 0.3 . 1 . . . . . . . . 5772 1 283 . 1 1 43 43 LEU CA C 13 53.519 0.3 . 1 . . . . . . . . 5772 1 284 . 1 1 43 43 LEU CB C 13 42.634 0.3 . 1 . . . . . . . . 5772 1 285 . 1 1 43 43 LEU CG C 13 28.251 0.3 . 1 . . . . . . . . 5772 1 286 . 1 1 43 43 LEU CD1 C 13 25.212 0.3 . 2 . . . . . . . . 5772 1 287 . 1 1 43 43 LEU CD2 C 13 26.956 0.3 . 2 . . . . . . . . 5772 1 288 . 1 1 43 43 LEU N N 15 124.579 0.2 . 1 . . . . . . . . 5772 1 289 . 1 1 44 44 GLN H H 1 8.137 0.02 . 1 . . . . . . . . 5772 1 290 . 1 1 44 44 GLN HA H 1 5.798 0.02 . 1 . . . . . . . . 5772 1 291 . 1 1 44 44 GLN C C 13 175.5 0.3 . 1 . . . . . . . . 5772 1 292 . 1 1 44 44 GLN CA C 13 52.486 0.3 . 1 . . . . . . . . 5772 1 293 . 1 1 44 44 GLN CB C 13 33.251 0.3 . 1 . . . . . . . . 5772 1 294 . 1 1 44 44 GLN CG C 13 31.259 0.3 . 1 . . . . . . . . 5772 1 295 . 1 1 44 44 GLN N N 15 112.969 0.2 . 1 . . . . . . . . 5772 1 296 . 1 1 45 45 LEU H H 1 8.531 0.02 . 1 . . . . . . . . 5772 1 297 . 1 1 45 45 LEU HA H 1 5.137 0.02 . 1 . . . . . . . . 5772 1 298 . 1 1 45 45 LEU C C 13 174.755 0.3 . 1 . . . . . . . . 5772 1 299 . 1 1 45 45 LEU CA C 13 53.3 0.3 . 1 . . . . . . . . 5772 1 300 . 1 1 45 45 LEU CB C 13 45.08 0.3 . 1 . . . . . . . . 5772 1 301 . 1 1 45 45 LEU CG C 13 22.487 0.3 . 1 . . . . . . . . 5772 1 302 . 1 1 45 45 LEU CD1 C 13 25.457 0.3 . 1 . . . . . . . . 5772 1 303 . 1 1 45 45 LEU N N 15 116.786 0.2 . 1 . . . . . . . . 5772 1 304 . 1 1 46 46 TRP H H 1 9.345 0.02 . 1 . . . . . . . . 5772 1 305 . 1 1 46 46 TRP HB2 H 1 2.978 0.02 . 1 . . . . . . . . 5772 1 306 . 1 1 46 46 TRP HB3 H 1 2.978 0.02 . 1 . . . . . . . . 5772 1 307 . 1 1 46 46 TRP C C 13 178.21 0.3 . 1 . . . . . . . . 5772 1 308 . 1 1 46 46 TRP CA C 13 56.537 0.3 . 1 . . . . . . . . 5772 1 309 . 1 1 46 46 TRP CB C 13 34.216 0.3 . 1 . . . . . . . . 5772 1 310 . 1 1 46 46 TRP N N 15 122.512 0.2 . 1 . . . . . . . . 5772 1 311 . 1 1 47 47 ASP H H 1 7.437 0.02 . 1 . . . . . . . . 5772 1 312 . 1 1 47 47 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 5772 1 313 . 1 1 47 47 ASP HB2 H 1 2.782 0.02 . 1 . . . . . . . . 5772 1 314 . 1 1 47 47 ASP HB3 H 1 2.782 0.02 . 1 . . . . . . . . 5772 1 315 . 1 1 47 47 ASP C C 13 173.5 0.3 . 1 . . . . . . . . 5772 1 316 . 1 1 47 47 ASP CA C 13 56.518 0.3 . 1 . . . . . . . . 5772 1 317 . 1 1 47 47 ASP CB C 13 41.933 0.3 . 1 . . . . . . . . 5772 1 318 . 1 1 47 47 ASP N N 15 127.172 0.2 . 1 . . . . . . . . 5772 1 319 . 1 1 48 48 CYS H H 1 9.045 0.02 . 1 . . . . . . . . 5772 1 320 . 1 1 48 48 CYS HA H 1 5.216 0.02 . 1 . . . . . . . . 5772 1 321 . 1 1 48 48 CYS HB2 H 1 3.226 0.02 . 1 . . . . . . . . 5772 1 322 . 1 1 48 48 CYS HB3 H 1 3.226 0.02 . 1 . . . . . . . . 5772 1 323 . 1 1 48 48 CYS C C 13 175.639 0.3 . 1 . . . . . . . . 5772 1 324 . 1 1 48 48 CYS CA C 13 57.02 0.3 . 1 . . . . . . . . 5772 1 325 . 1 1 48 48 CYS CB C 13 45.369 0.3 . 1 . . . . . . . . 5772 1 326 . 1 1 48 48 CYS N N 15 122.604 0.2 . 1 . . . . . . . . 5772 1 327 . 1 1 49 49 HIS H H 1 9.63 0.02 . 1 . . . . . . . . 5772 1 328 . 1 1 49 49 HIS HA H 1 4.944 0.02 . 1 . . . . . . . . 5772 1 329 . 1 1 49 49 HIS HB2 H 1 3.355 0.02 . 1 . . . . . . . . 5772 1 330 . 1 1 49 49 HIS HB3 H 1 3.355 0.02 . 1 . . . . . . . . 5772 1 331 . 1 1 49 49 HIS C C 13 175.95 0.3 . 1 . . . . . . . . 5772 1 332 . 1 1 49 49 HIS CA C 13 55.248 0.3 . 1 . . . . . . . . 5772 1 333 . 1 1 49 49 HIS CB C 13 31.487 0.3 . 1 . . . . . . . . 5772 1 334 . 1 1 49 49 HIS N N 15 123.477 0.2 . 1 . . . . . . . . 5772 1 335 . 1 1 50 50 SER H H 1 8.371 0.02 . 1 . . . . . . . . 5772 1 336 . 1 1 50 50 SER HA H 1 4.399 0.02 . 1 . . . . . . . . 5772 1 337 . 1 1 50 50 SER HB2 H 1 3.988 0.02 . 1 . . . . . . . . 5772 1 338 . 1 1 50 50 SER HB3 H 1 3.988 0.02 . 1 . . . . . . . . 5772 1 339 . 1 1 50 50 SER C C 13 174.81 0.3 . 1 . . . . . . . . 5772 1 340 . 1 1 50 50 SER CA C 13 59.044 0.3 . 1 . . . . . . . . 5772 1 341 . 1 1 50 50 SER CB C 13 63.285 0.3 . 1 . . . . . . . . 5772 1 342 . 1 1 50 50 SER N N 15 113.059 0.2 . 1 . . . . . . . . 5772 1 343 . 1 1 51 51 GLY H H 1 10.326 0.02 . 1 . . . . . . . . 5772 1 344 . 1 1 51 51 GLY HA2 H 1 4.208 0.02 . 1 . . . . . . . . 5772 1 345 . 1 1 51 51 GLY HA3 H 1 4.208 0.02 . 1 . . . . . . . . 5772 1 346 . 1 1 51 51 GLY C C 13 175.33 0.3 . 1 . . . . . . . . 5772 1 347 . 1 1 51 51 GLY CA C 13 45.035 0.3 . 1 . . . . . . . . 5772 1 348 . 1 1 51 51 GLY N N 15 114.081 0.2 . 1 . . . . . . . . 5772 1 349 . 1 1 52 52 THR H H 1 8.814 0.02 . 1 . . . . . . . . 5772 1 350 . 1 1 52 52 THR HA H 1 4.283 0.02 . 2 . . . . . . . . 5772 1 351 . 1 1 52 52 THR HB H 1 3.831 0.02 . 2 . . . . . . . . 5772 1 352 . 1 1 52 52 THR HG21 H 1 1.361 0.02 . 1 . . . . . . . . 5772 1 353 . 1 1 52 52 THR HG22 H 1 1.361 0.02 . 1 . . . . . . . . 5772 1 354 . 1 1 52 52 THR HG23 H 1 1.361 0.02 . 1 . . . . . . . . 5772 1 355 . 1 1 52 52 THR C C 13 176.37 0.3 . 1 . . . . . . . . 5772 1 356 . 1 1 52 52 THR CA C 13 64.914 0.3 . 1 . . . . . . . . 5772 1 357 . 1 1 52 52 THR CB C 13 68.63 0.3 . 1 . . . . . . . . 5772 1 358 . 1 1 52 52 THR N N 15 115.41 0.2 . 1 . . . . . . . . 5772 1 359 . 1 1 53 53 ASN H H 1 8.767 0.02 . 1 . . . . . . . . 5772 1 360 . 1 1 53 53 ASN HA H 1 3.989 0.02 . 1 . . . . . . . . 5772 1 361 . 1 1 53 53 ASN HB2 H 1 3.247 0.02 . 1 . . . . . . . . 5772 1 362 . 1 1 53 53 ASN HB3 H 1 3.247 0.02 . 1 . . . . . . . . 5772 1 363 . 1 1 53 53 ASN HD21 H 1 8.16 0.02 . 1 . . . . . . . . 5772 1 364 . 1 1 53 53 ASN HD22 H 1 7.13 0.02 . 1 . . . . . . . . 5772 1 365 . 1 1 53 53 ASN C C 13 175.27 0.3 . 1 . . . . . . . . 5772 1 366 . 1 1 53 53 ASN CA C 13 54.486 0.3 . 1 . . . . . . . . 5772 1 367 . 1 1 53 53 ASN CB C 13 37.137 0.3 . 1 . . . . . . . . 5772 1 368 . 1 1 53 53 ASN CG C 13 177.5 0.3 . 1 . . . . . . . . 5772 1 369 . 1 1 53 53 ASN N N 15 116.558 0.2 . 1 . . . . . . . . 5772 1 370 . 1 1 53 53 ASN ND2 N 15 119.4 0.2 . 1 . . . . . . . . 5772 1 371 . 1 1 54 54 GLN H H 1 7.079 0.02 . 1 . . . . . . . . 5772 1 372 . 1 1 54 54 GLN HA H 1 4.837 0.02 . 1 . . . . . . . . 5772 1 373 . 1 1 54 54 GLN HE21 H 1 8.9 0.02 . 1 . . . . . . . . 5772 1 374 . 1 1 54 54 GLN HE22 H 1 6.97 0.02 . 1 . . . . . . . . 5772 1 375 . 1 1 54 54 GLN C C 13 172.297 0.3 . 1 . . . . . . . . 5772 1 376 . 1 1 54 54 GLN CA C 13 54.517 0.3 . 1 . . . . . . . . 5772 1 377 . 1 1 54 54 GLN CB C 13 30.884 0.3 . 1 . . . . . . . . 5772 1 378 . 1 1 54 54 GLN CG C 13 33.243 0.3 . 1 . . . . . . . . 5772 1 379 . 1 1 54 54 GLN CD C 13 178.7 0.3 . 1 . . . . . . . . 5772 1 380 . 1 1 54 54 GLN N N 15 114.976 0.2 . 1 . . . . . . . . 5772 1 381 . 1 1 54 54 GLN NE2 N 15 109.9 0.2 . 1 . . . . . . . . 5772 1 382 . 1 1 55 55 GLN H H 1 6.635 0.02 . 1 . . . . . . . . 5772 1 383 . 1 1 55 55 GLN HA H 1 4.184 0.02 . 1 . . . . . . . . 5772 1 384 . 1 1 55 55 GLN HE21 H 1 7.32 0.02 . 1 . . . . . . . . 5772 1 385 . 1 1 55 55 GLN HE22 H 1 6.65 0.02 . 1 . . . . . . . . 5772 1 386 . 1 1 55 55 GLN C C 13 175.44 0.3 . 1 . . . . . . . . 5772 1 387 . 1 1 55 55 GLN CA C 13 54.494 0.3 . 1 . . . . . . . . 5772 1 388 . 1 1 55 55 GLN CB C 13 29.077 0.3 . 1 . . . . . . . . 5772 1 389 . 1 1 55 55 GLN CG C 13 33.029 0.3 . 1 . . . . . . . . 5772 1 390 . 1 1 55 55 GLN CD C 13 179.7 0.3 . 1 . . . . . . . . 5772 1 391 . 1 1 55 55 GLN N N 15 119.397 0.2 . 1 . . . . . . . . 5772 1 392 . 1 1 55 55 GLN NE2 N 15 112 0.2 . 1 . . . . . . . . 5772 1 393 . 1 1 56 56 TRP H H 1 8.888 0.02 . 1 . . . . . . . . 5772 1 394 . 1 1 56 56 TRP HA H 1 4.942 0.02 . 1 . . . . . . . . 5772 1 395 . 1 1 56 56 TRP HB2 H 1 2.65 0.02 . 1 . . . . . . . . 5772 1 396 . 1 1 56 56 TRP HB3 H 1 2.65 0.02 . 1 . . . . . . . . 5772 1 397 . 1 1 56 56 TRP C C 13 173.42 0.3 . 1 . . . . . . . . 5772 1 398 . 1 1 56 56 TRP CA C 13 54.832 0.3 . 1 . . . . . . . . 5772 1 399 . 1 1 56 56 TRP CB C 13 31.233 0.3 . 1 . . . . . . . . 5772 1 400 . 1 1 56 56 TRP N N 15 124.989 0.2 . 1 . . . . . . . . 5772 1 401 . 1 1 57 57 ALA H H 1 9.748 0.02 . 1 . . . . . . . . 5772 1 402 . 1 1 57 57 ALA HA H 1 4.754 0.02 . 1 . . . . . . . . 5772 1 403 . 1 1 57 57 ALA HB1 H 1 1.249 0.02 . 1 . . . . . . . . 5772 1 404 . 1 1 57 57 ALA HB2 H 1 1.249 0.02 . 1 . . . . . . . . 5772 1 405 . 1 1 57 57 ALA HB3 H 1 1.249 0.02 . 1 . . . . . . . . 5772 1 406 . 1 1 57 57 ALA C C 13 176 0.3 . 1 . . . . . . . . 5772 1 407 . 1 1 57 57 ALA CA C 13 50.469 0.3 . 1 . . . . . . . . 5772 1 408 . 1 1 57 57 ALA CB C 13 20.983 0.3 . 1 . . . . . . . . 5772 1 409 . 1 1 57 57 ALA N N 15 129.091 0.2 . 1 . . . . . . . . 5772 1 410 . 1 1 58 58 ALA H H 1 8.6 0.02 . 1 . . . . . . . . 5772 1 411 . 1 1 58 58 ALA HA H 1 5.439 0.02 . 1 . . . . . . . . 5772 1 412 . 1 1 58 58 ALA HB1 H 1 1.339 0.02 . 1 . . . . . . . . 5772 1 413 . 1 1 58 58 ALA HB2 H 1 1.339 0.02 . 1 . . . . . . . . 5772 1 414 . 1 1 58 58 ALA HB3 H 1 1.339 0.02 . 1 . . . . . . . . 5772 1 415 . 1 1 58 58 ALA C C 13 176 0.3 . 1 . . . . . . . . 5772 1 416 . 1 1 58 58 ALA CA C 13 50.724 0.3 . 1 . . . . . . . . 5772 1 417 . 1 1 58 58 ALA CB C 13 19.123 0.3 . 1 . . . . . . . . 5772 1 418 . 1 1 58 58 ALA N N 15 127.284 0.2 . 1 . . . . . . . . 5772 1 419 . 1 1 59 59 THR H H 1 8.189 0.02 . 1 . . . . . . . . 5772 1 420 . 1 1 59 59 THR HA H 1 4.921 0.02 . 2 . . . . . . . . 5772 1 421 . 1 1 59 59 THR HB H 1 4.781 0.02 . 2 . . . . . . . . 5772 1 422 . 1 1 59 59 THR HG21 H 1 1.249 0.02 . 1 . . . . . . . . 5772 1 423 . 1 1 59 59 THR HG22 H 1 1.249 0.02 . 1 . . . . . . . . 5772 1 424 . 1 1 59 59 THR HG23 H 1 1.249 0.02 . 1 . . . . . . . . 5772 1 425 . 1 1 59 59 THR C C 13 178.6 0.3 . 1 . . . . . . . . 5772 1 426 . 1 1 59 59 THR CA C 13 59.115 0.3 . 1 . . . . . . . . 5772 1 427 . 1 1 59 59 THR CB C 13 72.285 0.3 . 1 . . . . . . . . 5772 1 428 . 1 1 59 59 THR CG2 C 13 21.286 0.3 . 1 . . . . . . . . 5772 1 429 . 1 1 59 59 THR N N 15 111.88 0.2 . 1 . . . . . . . . 5772 1 430 . 1 1 60 60 ASP H H 1 9.133 0.02 . 1 . . . . . . . . 5772 1 431 . 1 1 60 60 ASP HA H 1 4.454 0.02 . 1 . . . . . . . . 5772 1 432 . 1 1 60 60 ASP HB2 H 1 2.704 0.02 . 1 . . . . . . . . 5772 1 433 . 1 1 60 60 ASP HB3 H 1 2.704 0.02 . 1 . . . . . . . . 5772 1 434 . 1 1 60 60 ASP C C 13 177.1 0.3 . 1 . . . . . . . . 5772 1 435 . 1 1 60 60 ASP CA C 13 56.525 0.3 . 1 . . . . . . . . 5772 1 436 . 1 1 60 60 ASP CB C 13 40.023 0.3 . 1 . . . . . . . . 5772 1 437 . 1 1 60 60 ASP N N 15 123.114 0.2 . 1 . . . . . . . . 5772 1 438 . 1 1 61 61 ALA H H 1 7.597 0.02 . 1 . . . . . . . . 5772 1 439 . 1 1 61 61 ALA HA H 1 4.406 0.02 . 1 . . . . . . . . 5772 1 440 . 1 1 61 61 ALA HB1 H 1 1.279 0.02 . 1 . . . . . . . . 5772 1 441 . 1 1 61 61 ALA HB2 H 1 1.279 0.02 . 1 . . . . . . . . 5772 1 442 . 1 1 61 61 ALA HB3 H 1 1.279 0.02 . 1 . . . . . . . . 5772 1 443 . 1 1 61 61 ALA C C 13 176.65 0.3 . 1 . . . . . . . . 5772 1 444 . 1 1 61 61 ALA CA C 13 51.873 0.3 . 1 . . . . . . . . 5772 1 445 . 1 1 61 61 ALA CB C 13 18.752 0.3 . 1 . . . . . . . . 5772 1 446 . 1 1 61 61 ALA N N 15 120.03 0.2 . 1 . . . . . . . . 5772 1 447 . 1 1 62 62 GLY H H 1 8.084 0.02 . 1 . . . . . . . . 5772 1 448 . 1 1 62 62 GLY HA2 H 1 4.291 0.02 . 1 . . . . . . . . 5772 1 449 . 1 1 62 62 GLY HA3 H 1 4.291 0.02 . 1 . . . . . . . . 5772 1 450 . 1 1 62 62 GLY C C 13 176.881 0.3 . 1 . . . . . . . . 5772 1 451 . 1 1 62 62 GLY CA C 13 45.469 0.3 . 1 . . . . . . . . 5772 1 452 . 1 1 62 62 GLY N N 15 106.242 0.2 . 1 . . . . . . . . 5772 1 453 . 1 1 63 63 GLU H H 1 7.171 0.02 . 1 . . . . . . . . 5772 1 454 . 1 1 63 63 GLU HA H 1 5.025 0.02 . 1 . . . . . . . . 5772 1 455 . 1 1 63 63 GLU C C 13 174.15 0.3 . 1 . . . . . . . . 5772 1 456 . 1 1 63 63 GLU CA C 13 54.272 0.3 . 1 . . . . . . . . 5772 1 457 . 1 1 63 63 GLU CB C 13 32.261 0.3 . 1 . . . . . . . . 5772 1 458 . 1 1 63 63 GLU CG C 13 35.246 0.3 . 1 . . . . . . . . 5772 1 459 . 1 1 63 63 GLU N N 15 116.562 0.2 . 1 . . . . . . . . 5772 1 460 . 1 1 64 64 LEU H H 1 9.335 0.02 . 1 . . . . . . . . 5772 1 461 . 1 1 64 64 LEU HA H 1 5.025 0.02 . 1 . . . . . . . . 5772 1 462 . 1 1 64 64 LEU C C 13 177.545 0.3 . 1 . . . . . . . . 5772 1 463 . 1 1 64 64 LEU CA C 13 55.288 0.3 . 1 . . . . . . . . 5772 1 464 . 1 1 64 64 LEU CB C 13 44.509 0.3 . 1 . . . . . . . . 5772 1 465 . 1 1 64 64 LEU CG C 13 23.928 0.3 . 1 . . . . . . . . 5772 1 466 . 1 1 64 64 LEU CD1 C 13 27.347 0.3 . 1 . . . . . . . . 5772 1 467 . 1 1 64 64 LEU N N 15 123.938 0.2 . 1 . . . . . . . . 5772 1 468 . 1 1 65 65 ARG H H 1 9.396 0.02 . 1 . . . . . . . . 5772 1 469 . 1 1 65 65 ARG HA H 1 5.63 0.02 . 1 . . . . . . . . 5772 1 470 . 1 1 65 65 ARG HD2 H 1 2.949 0.02 . 1 . . . . . . . . 5772 1 471 . 1 1 65 65 ARG HD3 H 1 2.949 0.02 . 1 . . . . . . . . 5772 1 472 . 1 1 65 65 ARG C C 13 175.02 0.3 . 1 . . . . . . . . 5772 1 473 . 1 1 65 65 ARG CA C 13 55.472 0.3 . 1 . . . . . . . . 5772 1 474 . 1 1 65 65 ARG CB C 13 34.751 0.3 . 1 . . . . . . . . 5772 1 475 . 1 1 65 65 ARG CG C 13 29.327 0.3 . 1 . . . . . . . . 5772 1 476 . 1 1 65 65 ARG CD C 13 44.277 0.3 . 1 . . . . . . . . 5772 1 477 . 1 1 65 65 ARG N N 15 121.9 0.2 . 1 . . . . . . . . 5772 1 478 . 1 1 66 66 VAL H H 1 8.813 0.02 . 1 . . . . . . . . 5772 1 479 . 1 1 66 66 VAL HA H 1 4.068 0.02 . 1 . . . . . . . . 5772 1 480 . 1 1 66 66 VAL C C 13 175.47 0.3 . 1 . . . . . . . . 5772 1 481 . 1 1 66 66 VAL CA C 13 58.966 0.3 . 1 . . . . . . . . 5772 1 482 . 1 1 66 66 VAL CB C 13 33.391 0.3 . 1 . . . . . . . . 5772 1 483 . 1 1 66 66 VAL CG1 C 13 19.776 0.3 . 1 . . . . . . . . 5772 1 484 . 1 1 66 66 VAL CG2 C 13 19.776 0.3 . 1 . . . . . . . . 5772 1 485 . 1 1 66 66 VAL N N 15 123.482 0.2 . 1 . . . . . . . . 5772 1 486 . 1 1 67 67 TYR H H 1 8.709 0.02 . 1 . . . . . . . . 5772 1 487 . 1 1 67 67 TYR HA H 1 4.127 0.02 . 1 . . . . . . . . 5772 1 488 . 1 1 67 67 TYR HB2 H 1 3.363 0.02 . 1 . . . . . . . . 5772 1 489 . 1 1 67 67 TYR HB3 H 1 3.363 0.02 . 1 . . . . . . . . 5772 1 490 . 1 1 67 67 TYR C C 13 172.94 0.3 . 1 . . . . . . . . 5772 1 491 . 1 1 67 67 TYR CA C 13 57.335 0.3 . 1 . . . . . . . . 5772 1 492 . 1 1 67 67 TYR CB C 13 37.173 0.3 . 1 . . . . . . . . 5772 1 493 . 1 1 67 67 TYR N N 15 118.626 0.2 . 1 . . . . . . . . 5772 1 494 . 1 1 68 68 GLY H H 1 8.435 0.02 . 1 . . . . . . . . 5772 1 495 . 1 1 68 68 GLY HA2 H 1 4.453 0.02 . 1 . . . . . . . . 5772 1 496 . 1 1 68 68 GLY HA3 H 1 4.453 0.02 . 1 . . . . . . . . 5772 1 497 . 1 1 68 68 GLY C C 13 176.62 0.3 . 1 . . . . . . . . 5772 1 498 . 1 1 68 68 GLY CA C 13 46.524 0.3 . 1 . . . . . . . . 5772 1 499 . 1 1 68 68 GLY N N 15 109.354 0.2 . 1 . . . . . . . . 5772 1 500 . 1 1 69 69 ASP H H 1 8.012 0.02 . 1 . . . . . . . . 5772 1 501 . 1 1 69 69 ASP HA H 1 4.646 0.02 . 1 . . . . . . . . 5772 1 502 . 1 1 69 69 ASP HB2 H 1 2.949 0.02 . 1 . . . . . . . . 5772 1 503 . 1 1 69 69 ASP HB3 H 1 2.949 0.02 . 1 . . . . . . . . 5772 1 504 . 1 1 69 69 ASP C C 13 175.59 0.3 . 1 . . . . . . . . 5772 1 505 . 1 1 69 69 ASP CA C 13 53.76 0.3 . 1 . . . . . . . . 5772 1 506 . 1 1 69 69 ASP CB C 13 41.681 0.3 . 1 . . . . . . . . 5772 1 507 . 1 1 69 69 ASP N N 15 118.979 0.2 . 1 . . . . . . . . 5772 1 508 . 1 1 70 70 LYS H H 1 8.202 0.02 . 1 . . . . . . . . 5772 1 509 . 1 1 70 70 LYS HA H 1 4.951 0.02 . 1 . . . . . . . . 5772 1 510 . 1 1 70 70 LYS HE2 H 1 3.033 0.02 . 1 . . . . . . . . 5772 1 511 . 1 1 70 70 LYS HE3 H 1 3.033 0.02 . 1 . . . . . . . . 5772 1 512 . 1 1 70 70 LYS C C 13 175.83 0.3 . 1 . . . . . . . . 5772 1 513 . 1 1 70 70 LYS CA C 13 53.602 0.3 . 1 . . . . . . . . 5772 1 514 . 1 1 70 70 LYS CB C 13 33.285 0.3 . 1 . . . . . . . . 5772 1 515 . 1 1 70 70 LYS CG C 13 24.91 0.3 . 1 . . . . . . . . 5772 1 516 . 1 1 70 70 LYS CD C 13 28.515 0.3 . 1 . . . . . . . . 5772 1 517 . 1 1 70 70 LYS CE C 13 42.467 0.3 . 1 . . . . . . . . 5772 1 518 . 1 1 70 70 LYS N N 15 118.381 0.2 . 1 . . . . . . . . 5772 1 519 . 1 1 71 71 CYS H H 1 9.072 0.02 . 1 . . . . . . . . 5772 1 520 . 1 1 71 71 CYS HA H 1 5.351 0.02 . 1 . . . . . . . . 5772 1 521 . 1 1 71 71 CYS HB2 H 1 3.154 0.02 . 1 . . . . . . . . 5772 1 522 . 1 1 71 71 CYS HB3 H 1 3.154 0.02 . 1 . . . . . . . . 5772 1 523 . 1 1 71 71 CYS C C 13 175.15 0.3 . 1 . . . . . . . . 5772 1 524 . 1 1 71 71 CYS CA C 13 60.048 0.3 . 1 . . . . . . . . 5772 1 525 . 1 1 71 71 CYS CB C 13 41.982 0.3 . 1 . . . . . . . . 5772 1 526 . 1 1 71 71 CYS N N 15 120.009 0.2 . 1 . . . . . . . . 5772 1 527 . 1 1 72 72 LEU H H 1 9.004 0.02 . 1 . . . . . . . . 5772 1 528 . 1 1 72 72 LEU HA H 1 4.343 0.02 . 1 . . . . . . . . 5772 1 529 . 1 1 72 72 LEU C C 13 174.35 0.3 . 1 . . . . . . . . 5772 1 530 . 1 1 72 72 LEU CA C 13 56.818 0.3 . 1 . . . . . . . . 5772 1 531 . 1 1 72 72 LEU CB C 13 42.232 0.3 . 1 . . . . . . . . 5772 1 532 . 1 1 72 72 LEU CG C 13 24.232 0.3 . 1 . . . . . . . . 5772 1 533 . 1 1 72 72 LEU CD1 C 13 25.348 0.3 . 1 . . . . . . . . 5772 1 534 . 1 1 73 73 ASP H H 1 9.722 0.02 . 1 . . . . . . . . 5772 1 535 . 1 1 73 73 ASP HA H 1 5.301 0.02 . 1 . . . . . . . . 5772 1 536 . 1 1 73 73 ASP HB2 H 1 2.702 0.02 . 1 . . . . . . . . 5772 1 537 . 1 1 73 73 ASP HB3 H 1 2.702 0.02 . 1 . . . . . . . . 5772 1 538 . 1 1 73 73 ASP C C 13 178.21 0.3 . 1 . . . . . . . . 5772 1 539 . 1 1 73 73 ASP CA C 13 54.874 0.3 . 1 . . . . . . . . 5772 1 540 . 1 1 73 73 ASP CB C 13 47.433 0.3 . 1 . . . . . . . . 5772 1 541 . 1 1 73 73 ASP N N 15 135.027 0.2 . 1 . . . . . . . . 5772 1 542 . 1 1 74 74 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 5772 1 543 . 1 1 74 74 ALA HA H 1 5.002 0.02 . 1 . . . . . . . . 5772 1 544 . 1 1 74 74 ALA HB1 H 1 1.631 0.02 . 1 . . . . . . . . 5772 1 545 . 1 1 74 74 ALA HB2 H 1 1.631 0.02 . 1 . . . . . . . . 5772 1 546 . 1 1 74 74 ALA HB3 H 1 1.631 0.02 . 1 . . . . . . . . 5772 1 547 . 1 1 74 74 ALA C C 13 173.19 0.3 . 1 . . . . . . . . 5772 1 548 . 1 1 74 74 ALA CA C 13 50.902 0.3 . 1 . . . . . . . . 5772 1 549 . 1 1 74 74 ALA CB C 13 21.493 0.3 . 1 . . . . . . . . 5772 1 550 . 1 1 74 74 ALA N N 15 127.986 0.2 . 1 . . . . . . . . 5772 1 551 . 1 1 75 75 ALA H H 1 8.616 0.02 . 1 . . . . . . . . 5772 1 552 . 1 1 75 75 ALA HA H 1 4.48 0.02 . 1 . . . . . . . . 5772 1 553 . 1 1 75 75 ALA HB1 H 1 1.415 0.02 . 1 . . . . . . . . 5772 1 554 . 1 1 75 75 ALA HB2 H 1 1.415 0.02 . 1 . . . . . . . . 5772 1 555 . 1 1 75 75 ALA HB3 H 1 1.415 0.02 . 1 . . . . . . . . 5772 1 556 . 1 1 75 75 ALA C C 13 176.82 0.3 . 1 . . . . . . . . 5772 1 557 . 1 1 75 75 ALA CA C 13 52.227 0.3 . 1 . . . . . . . . 5772 1 558 . 1 1 75 75 ALA CB C 13 19.259 0.3 . 1 . . . . . . . . 5772 1 559 . 1 1 75 75 ALA N N 15 125.917 0.2 . 1 . . . . . . . . 5772 1 560 . 1 1 76 76 GLY H H 1 7.321 0.02 . 1 . . . . . . . . 5772 1 561 . 1 1 76 76 GLY HA2 H 1 4.261 0.02 . 1 . . . . . . . . 5772 1 562 . 1 1 76 76 GLY HA3 H 1 4.261 0.02 . 1 . . . . . . . . 5772 1 563 . 1 1 76 76 GLY C C 13 176.535 0.3 . 1 . . . . . . . . 5772 1 564 . 1 1 76 76 GLY CA C 13 44.762 0.3 . 1 . . . . . . . . 5772 1 565 . 1 1 76 76 GLY N N 15 104.947 0.2 . 1 . . . . . . . . 5772 1 566 . 1 1 77 77 THR H H 1 8.396 0.02 . 1 . . . . . . . . 5772 1 567 . 1 1 77 77 THR HA H 1 4.26 0.02 . 1 . . . . . . . . 5772 1 568 . 1 1 77 77 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5772 1 569 . 1 1 77 77 THR HG21 H 1 0.892 0.02 . 1 . . . . . . . . 5772 1 570 . 1 1 77 77 THR HG22 H 1 0.892 0.02 . 1 . . . . . . . . 5772 1 571 . 1 1 77 77 THR HG23 H 1 0.892 0.02 . 1 . . . . . . . . 5772 1 572 . 1 1 77 77 THR C C 13 173.387 0.3 . 1 . . . . . . . . 5772 1 573 . 1 1 77 77 THR CA C 13 60.187 0.3 . 1 . . . . . . . . 5772 1 574 . 1 1 77 77 THR CB C 13 69.123 0.3 . 1 . . . . . . . . 5772 1 575 . 1 1 77 77 THR CG2 C 13 20.14 0.3 . 1 . . . . . . . . 5772 1 576 . 1 1 77 77 THR N N 15 106.303 0.2 . 1 . . . . . . . . 5772 1 577 . 1 1 78 78 SER H H 1 7.307 0.02 . 1 . . . . . . . . 5772 1 578 . 1 1 78 78 SER HA H 1 4.644 0.02 . 1 . . . . . . . . 5772 1 579 . 1 1 78 78 SER HB2 H 1 3.77 0.02 . 1 . . . . . . . . 5772 1 580 . 1 1 78 78 SER HB3 H 1 3.77 0.02 . 1 . . . . . . . . 5772 1 581 . 1 1 78 78 SER C C 13 172.98 0.3 . 1 . . . . . . . . 5772 1 582 . 1 1 78 78 SER CA C 13 56.374 0.3 . 1 . . . . . . . . 5772 1 583 . 1 1 78 78 SER CB C 13 65.769 0.3 . 1 . . . . . . . . 5772 1 584 . 1 1 78 78 SER N N 15 113.5 0.2 . 1 . . . . . . . . 5772 1 585 . 1 1 79 79 ASN H H 1 8.819 0.02 . 1 . . . . . . . . 5772 1 586 . 1 1 79 79 ASN HA H 1 4.262 0.02 . 1 . . . . . . . . 5772 1 587 . 1 1 79 79 ASN HB2 H 1 2.56 0.02 . 1 . . . . . . . . 5772 1 588 . 1 1 79 79 ASN HB3 H 1 2.56 0.02 . 1 . . . . . . . . 5772 1 589 . 1 1 79 79 ASN HD21 H 1 8.05 0.02 . 1 . . . . . . . . 5772 1 590 . 1 1 79 79 ASN HD22 H 1 6.52 0.02 . 1 . . . . . . . . 5772 1 591 . 1 1 79 79 ASN C C 13 175.11 0.3 . 1 . . . . . . . . 5772 1 592 . 1 1 79 79 ASN CA C 13 54.254 0.3 . 1 . . . . . . . . 5772 1 593 . 1 1 79 79 ASN CB C 13 37.788 0.3 . 1 . . . . . . . . 5772 1 594 . 1 1 79 79 ASN CG C 13 177.93 0.3 . 1 . . . . . . . . 5772 1 595 . 1 1 79 79 ASN N N 15 122.377 0.2 . 1 . . . . . . . . 5772 1 596 . 1 1 79 79 ASN ND2 N 15 117.9 0.2 . 1 . . . . . . . . 5772 1 597 . 1 1 80 80 GLY H H 1 9.338 0.02 . 1 . . . . . . . . 5772 1 598 . 1 1 80 80 GLY HA2 H 1 4.315 0.02 . 1 . . . . . . . . 5772 1 599 . 1 1 80 80 GLY HA3 H 1 4.315 0.02 . 1 . . . . . . . . 5772 1 600 . 1 1 80 80 GLY C C 13 177.355 0.3 . 1 . . . . . . . . 5772 1 601 . 1 1 80 80 GLY CA C 13 44.65 0.3 . 1 . . . . . . . . 5772 1 602 . 1 1 80 80 GLY N N 15 112.22 0.2 . 1 . . . . . . . . 5772 1 603 . 1 1 81 81 SER H H 1 7.898 0.02 . 1 . . . . . . . . 5772 1 604 . 1 1 81 81 SER HA H 1 4.318 0.02 . 1 . . . . . . . . 5772 1 605 . 1 1 81 81 SER HB2 H 1 3.685 0.02 . 1 . . . . . . . . 5772 1 606 . 1 1 81 81 SER HB3 H 1 3.685 0.02 . 1 . . . . . . . . 5772 1 607 . 1 1 81 81 SER C C 13 175.22 0.3 . 1 . . . . . . . . 5772 1 608 . 1 1 81 81 SER CA C 13 60.942 0.3 . 1 . . . . . . . . 5772 1 609 . 1 1 81 81 SER CB C 13 64.351 0.3 . 1 . . . . . . . . 5772 1 610 . 1 1 81 81 SER N N 15 117.6 0.2 . 1 . . . . . . . . 5772 1 611 . 1 1 82 82 LYS H H 1 8.627 0.02 . 1 . . . . . . . . 5772 1 612 . 1 1 82 82 LYS HA H 1 4.095 0.02 . 1 . . . . . . . . 5772 1 613 . 1 1 82 82 LYS HE2 H 1 3.098 0.02 . 1 . . . . . . . . 5772 1 614 . 1 1 82 82 LYS HE3 H 1 3.098 0.02 . 1 . . . . . . . . 5772 1 615 . 1 1 82 82 LYS C C 13 172.72 0.3 . 1 . . . . . . . . 5772 1 616 . 1 1 82 82 LYS CA C 13 57.875 0.3 . 1 . . . . . . . . 5772 1 617 . 1 1 82 82 LYS CB C 13 34.132 0.3 . 1 . . . . . . . . 5772 1 618 . 1 1 82 82 LYS CG C 13 25.356 0.3 . 1 . . . . . . . . 5772 1 619 . 1 1 82 82 LYS CD C 13 30.009 0.3 . 1 . . . . . . . . 5772 1 620 . 1 1 82 82 LYS CE C 13 41.994 0.3 . 1 . . . . . . . . 5772 1 621 . 1 1 82 82 LYS N N 15 122.613 0.2 . 1 . . . . . . . . 5772 1 622 . 1 1 83 83 VAL H H 1 6.884 0.02 . 1 . . . . . . . . 5772 1 623 . 1 1 83 83 VAL HA H 1 4.752 0.02 . 1 . . . . . . . . 5772 1 624 . 1 1 83 83 VAL HB H 1 1.555 0.02 . 1 . . . . . . . . 5772 1 625 . 1 1 83 83 VAL HG11 H 1 0.817 0.02 . 1 . . . . . . . . 5772 1 626 . 1 1 83 83 VAL HG12 H 1 0.817 0.02 . 1 . . . . . . . . 5772 1 627 . 1 1 83 83 VAL HG13 H 1 0.817 0.02 . 1 . . . . . . . . 5772 1 628 . 1 1 83 83 VAL HG21 H 1 0.817 0.02 . 1 . . . . . . . . 5772 1 629 . 1 1 83 83 VAL HG22 H 1 0.817 0.02 . 1 . . . . . . . . 5772 1 630 . 1 1 83 83 VAL HG23 H 1 0.817 0.02 . 1 . . . . . . . . 5772 1 631 . 1 1 83 83 VAL C C 13 174.55 0.3 . 1 . . . . . . . . 5772 1 632 . 1 1 83 83 VAL CA C 13 61.908 0.3 . 1 . . . . . . . . 5772 1 633 . 1 1 83 83 VAL CB C 13 32.23 0.3 . 1 . . . . . . . . 5772 1 634 . 1 1 83 83 VAL CG1 C 13 21.986 0.3 . 1 . . . . . . . . 5772 1 635 . 1 1 83 83 VAL CG2 C 13 21.986 0.3 . 1 . . . . . . . . 5772 1 636 . 1 1 83 83 VAL N N 15 121.036 0.2 . 1 . . . . . . . . 5772 1 637 . 1 1 84 84 GLN H H 1 9.516 0.02 . 1 . . . . . . . . 5772 1 638 . 1 1 84 84 GLN HA H 1 5.679 0.02 . 1 . . . . . . . . 5772 1 639 . 1 1 84 84 GLN HE21 H 1 7.86 0.02 . 1 . . . . . . . . 5772 1 640 . 1 1 84 84 GLN HE22 H 1 6.58 0.02 . 1 . . . . . . . . 5772 1 641 . 1 1 84 84 GLN C C 13 173.97 0.3 . 1 . . . . . . . . 5772 1 642 . 1 1 84 84 GLN CA C 13 53.495 0.3 . 1 . . . . . . . . 5772 1 643 . 1 1 84 84 GLN CB C 13 33.082 0.3 . 1 . . . . . . . . 5772 1 644 . 1 1 84 84 GLN CG C 13 30.881 0.3 . 1 . . . . . . . . 5772 1 645 . 1 1 84 84 GLN CD C 13 178.6 0.3 . 1 . . . . . . . . 5772 1 646 . 1 1 84 84 GLN N N 15 126.017 0.2 . 1 . . . . . . . . 5772 1 647 . 1 1 84 84 GLN NE2 N 15 110.3 0.2 . 1 . . . . . . . . 5772 1 648 . 1 1 85 85 ILE H H 1 7.563 0.02 . 1 . . . . . . . . 5772 1 649 . 1 1 85 85 ILE HA H 1 5.516 0.02 . 1 . . . . . . . . 5772 1 650 . 1 1 85 85 ILE HB H 1 1.581 0.02 . 1 . . . . . . . . 5772 1 651 . 1 1 85 85 ILE C C 13 175.24 0.3 . 1 . . . . . . . . 5772 1 652 . 1 1 85 85 ILE CA C 13 59.656 0.3 . 1 . . . . . . . . 5772 1 653 . 1 1 85 85 ILE CB C 13 42.617 0.3 . 1 . . . . . . . . 5772 1 654 . 1 1 85 85 ILE CG1 C 13 26.468 0.3 . 1 . . . . . . . . 5772 1 655 . 1 1 85 85 ILE N N 15 108.702 0.2 . 1 . . . . . . . . 5772 1 656 . 1 1 86 86 TYR H H 1 8.841 0.02 . 1 . . . . . . . . 5772 1 657 . 1 1 86 86 TYR HA H 1 4.46 0.02 . 1 . . . . . . . . 5772 1 658 . 1 1 86 86 TYR HB2 H 1 2.952 0.02 . 1 . . . . . . . . 5772 1 659 . 1 1 86 86 TYR HB3 H 1 2.952 0.02 . 1 . . . . . . . . 5772 1 660 . 1 1 86 86 TYR C C 13 176.19 0.3 . 1 . . . . . . . . 5772 1 661 . 1 1 86 86 TYR CA C 13 58.406 0.3 . 1 . . . . . . . . 5772 1 662 . 1 1 86 86 TYR CB C 13 45.38 0.3 . 1 . . . . . . . . 5772 1 663 . 1 1 86 86 TYR N N 15 124.146 0.2 . 1 . . . . . . . . 5772 1 664 . 1 1 87 87 SER H H 1 7.897 0.02 . 1 . . . . . . . . 5772 1 665 . 1 1 87 87 SER HA H 1 4.479 0.02 . 1 . . . . . . . . 5772 1 666 . 1 1 87 87 SER HB2 H 1 3.985 0.02 . 1 . . . . . . . . 5772 1 667 . 1 1 87 87 SER HB3 H 1 3.985 0.02 . 1 . . . . . . . . 5772 1 668 . 1 1 87 87 SER C C 13 175.67 0.3 . 1 . . . . . . . . 5772 1 669 . 1 1 87 87 SER CA C 13 61.242 0.3 . 1 . . . . . . . . 5772 1 670 . 1 1 87 87 SER CB C 13 63.537 0.3 . 1 . . . . . . . . 5772 1 671 . 1 1 87 87 SER N N 15 122.015 0.2 . 1 . . . . . . . . 5772 1 672 . 1 1 88 88 CYS H H 1 8.343 0.02 . 1 . . . . . . . . 5772 1 673 . 1 1 88 88 CYS HA H 1 5.09 0.02 . 1 . . . . . . . . 5772 1 674 . 1 1 88 88 CYS HB2 H 1 3.082 0.02 . 1 . . . . . . . . 5772 1 675 . 1 1 88 88 CYS HB3 H 1 3.082 0.02 . 1 . . . . . . . . 5772 1 676 . 1 1 88 88 CYS C C 13 174.33 0.3 . 1 . . . . . . . . 5772 1 677 . 1 1 88 88 CYS CA C 13 56.287 0.3 . 1 . . . . . . . . 5772 1 678 . 1 1 88 88 CYS CB C 13 43.867 0.3 . 1 . . . . . . . . 5772 1 679 . 1 1 88 88 CYS N N 15 124.36 0.2 . 1 . . . . . . . . 5772 1 680 . 1 1 89 89 TRP H H 1 9.208 0.02 . 1 . . . . . . . . 5772 1 681 . 1 1 89 89 TRP HA H 1 5.08 0.02 . 1 . . . . . . . . 5772 1 682 . 1 1 89 89 TRP HB2 H 1 3.664 0.02 . 1 . . . . . . . . 5772 1 683 . 1 1 89 89 TRP HB3 H 1 3.664 0.02 . 1 . . . . . . . . 5772 1 684 . 1 1 89 89 TRP C C 13 176.28 0.3 . 1 . . . . . . . . 5772 1 685 . 1 1 89 89 TRP CA C 13 56.009 0.3 . 1 . . . . . . . . 5772 1 686 . 1 1 89 89 TRP CB C 13 30.508 0.3 . 1 . . . . . . . . 5772 1 687 . 1 1 89 89 TRP N N 15 122.198 0.2 . 1 . . . . . . . . 5772 1 688 . 1 1 89 89 TRP NE1 N 15 132.098 0.2 . 1 . . . . . . . . 5772 1 689 . 1 1 90 90 GLY H H 1 8.789 0.02 . 1 . . . . . . . . 5772 1 690 . 1 1 90 90 GLY HA2 H 1 4.071 0.02 . 1 . . . . . . . . 5772 1 691 . 1 1 90 90 GLY HA3 H 1 4.071 0.02 . 1 . . . . . . . . 5772 1 692 . 1 1 90 90 GLY C C 13 176.47 0.3 . 1 . . . . . . . . 5772 1 693 . 1 1 90 90 GLY CA C 13 45.303 0.3 . 1 . . . . . . . . 5772 1 694 . 1 1 90 90 GLY N N 15 111.7 0.2 . 1 . . . . . . . . 5772 1 695 . 1 1 91 91 GLY H H 1 5.461 0.02 . 1 . . . . . . . . 5772 1 696 . 1 1 91 91 GLY HA2 H 1 3.356 0.02 . 1 . . . . . . . . 5772 1 697 . 1 1 91 91 GLY HA3 H 1 3.356 0.02 . 1 . . . . . . . . 5772 1 698 . 1 1 91 91 GLY C C 13 174.1 0.3 . 1 . . . . . . . . 5772 1 699 . 1 1 91 91 GLY CA C 13 44.742 0.3 . 1 . . . . . . . . 5772 1 700 . 1 1 91 91 GLY N N 15 103.818 0.2 . 1 . . . . . . . . 5772 1 701 . 1 1 92 92 ASP H H 1 8.998 0.02 . 1 . . . . . . . . 5772 1 702 . 1 1 92 92 ASP HA H 1 4.048 0.02 . 1 . . . . . . . . 5772 1 703 . 1 1 92 92 ASP HB2 H 1 2.321 0.02 . 1 . . . . . . . . 5772 1 704 . 1 1 92 92 ASP HB3 H 1 2.321 0.02 . 1 . . . . . . . . 5772 1 705 . 1 1 92 92 ASP C C 13 176.05 0.3 . 1 . . . . . . . . 5772 1 706 . 1 1 92 92 ASP CA C 13 57.115 0.3 . 1 . . . . . . . . 5772 1 707 . 1 1 92 92 ASP CB C 13 39.609 0.3 . 1 . . . . . . . . 5772 1 708 . 1 1 92 92 ASP N N 15 123.715 0.2 . 1 . . . . . . . . 5772 1 709 . 1 1 93 93 ASN H H 1 8.612 0.02 . 1 . . . . . . . . 5772 1 710 . 1 1 93 93 ASN HA H 1 4.23 0.02 . 1 . . . . . . . . 5772 1 711 . 1 1 93 93 ASN HB2 H 1 3.359 0.02 . 1 . . . . . . . . 5772 1 712 . 1 1 93 93 ASN HB3 H 1 3.359 0.02 . 1 . . . . . . . . 5772 1 713 . 1 1 93 93 ASN HD21 H 1 7.47 0.02 . 1 . . . . . . . . 5772 1 714 . 1 1 93 93 ASN HD22 H 1 6.81 0.02 . 1 . . . . . . . . 5772 1 715 . 1 1 93 93 ASN C C 13 176.92 0.3 . 1 . . . . . . . . 5772 1 716 . 1 1 93 93 ASN CA C 13 55.001 0.3 . 1 . . . . . . . . 5772 1 717 . 1 1 93 93 ASN CB C 13 36.121 0.3 . 1 . . . . . . . . 5772 1 718 . 1 1 93 93 ASN CG C 13 177.64 0.3 . 1 . . . . . . . . 5772 1 719 . 1 1 93 93 ASN N N 15 116.517 0.2 . 1 . . . . . . . . 5772 1 720 . 1 1 93 93 ASN ND2 N 15 118.1 0.2 . 1 . . . . . . . . 5772 1 721 . 1 1 94 94 GLN H H 1 7.309 0.02 . 1 . . . . . . . . 5772 1 722 . 1 1 94 94 GLN HA H 1 5.111 0.02 . 1 . . . . . . . . 5772 1 723 . 1 1 94 94 GLN HE21 H 1 9.76 0.02 . 1 . . . . . . . . 5772 1 724 . 1 1 94 94 GLN HE22 H 1 7.47 0.02 . 1 . . . . . . . . 5772 1 725 . 1 1 94 94 GLN C C 13 174.097 0.3 . 1 . . . . . . . . 5772 1 726 . 1 1 94 94 GLN CA C 13 53.577 0.3 . 1 . . . . . . . . 5772 1 727 . 1 1 94 94 GLN CB C 13 28.833 0.3 . 1 . . . . . . . . 5772 1 728 . 1 1 94 94 GLN CG C 13 33.38 0.3 . 1 . . . . . . . . 5772 1 729 . 1 1 94 94 GLN CD C 13 180.8 0.3 . 1 . . . . . . . . 5772 1 730 . 1 1 94 94 GLN N N 15 117.999 0.2 . 1 . . . . . . . . 5772 1 731 . 1 1 94 94 GLN NE2 N 15 114.9 0.2 . 1 . . . . . . . . 5772 1 732 . 1 1 95 95 LYS H H 1 6.558 0.02 . 1 . . . . . . . . 5772 1 733 . 1 1 95 95 LYS HA H 1 4.812 0.02 . 1 . . . . . . . . 5772 1 734 . 1 1 95 95 LYS HE2 H 1 2.818 0.02 . 1 . . . . . . . . 5772 1 735 . 1 1 95 95 LYS HE3 H 1 2.818 0.02 . 1 . . . . . . . . 5772 1 736 . 1 1 95 95 LYS C C 13 173.96 0.3 . 1 . . . . . . . . 5772 1 737 . 1 1 95 95 LYS CA C 13 54.661 0.3 . 1 . . . . . . . . 5772 1 738 . 1 1 95 95 LYS CB C 13 34.674 0.3 . 1 . . . . . . . . 5772 1 739 . 1 1 95 95 LYS CG C 13 25.256 0.3 . 1 . . . . . . . . 5772 1 740 . 1 1 95 95 LYS CD C 13 29.013 0.3 . 1 . . . . . . . . 5772 1 741 . 1 1 95 95 LYS CE C 13 42.38 0.3 . 1 . . . . . . . . 5772 1 742 . 1 1 95 95 LYS N N 15 117.81 0.2 . 1 . . . . . . . . 5772 1 743 . 1 1 96 96 TRP H H 1 9.375 0.02 . 1 . . . . . . . . 5772 1 744 . 1 1 96 96 TRP HA H 1 5.134 0.02 . 1 . . . . . . . . 5772 1 745 . 1 1 96 96 TRP HB2 H 1 2.761 0.02 . 1 . . . . . . . . 5772 1 746 . 1 1 96 96 TRP HB3 H 1 2.761 0.02 . 1 . . . . . . . . 5772 1 747 . 1 1 96 96 TRP C C 13 175.79 0.3 . 1 . . . . . . . . 5772 1 748 . 1 1 96 96 TRP CA C 13 55.888 0.3 . 1 . . . . . . . . 5772 1 749 . 1 1 96 96 TRP CB C 13 32.857 0.3 . 1 . . . . . . . . 5772 1 750 . 1 1 96 96 TRP N N 15 124.586 0.2 . 1 . . . . . . . . 5772 1 751 . 1 1 97 97 ARG H H 1 9.723 0.02 . 1 . . . . . . . . 5772 1 752 . 1 1 97 97 ARG HA H 1 4.537 0.02 . 1 . . . . . . . . 5772 1 753 . 1 1 97 97 ARG HD2 H 1 3.164 0.02 . 1 . . . . . . . . 5772 1 754 . 1 1 97 97 ARG HD3 H 1 3.164 0.02 . 1 . . . . . . . . 5772 1 755 . 1 1 97 97 ARG C C 13 174.98 0.3 . 1 . . . . . . . . 5772 1 756 . 1 1 97 97 ARG CA C 13 54.675 0.3 . 1 . . . . . . . . 5772 1 757 . 1 1 97 97 ARG CB C 13 31.823 0.3 . 1 . . . . . . . . 5772 1 758 . 1 1 97 97 ARG CD C 13 43.305 0.3 . 1 . . . . . . . . 5772 1 759 . 1 1 97 97 ARG N N 15 124.217 0.2 . 1 . . . . . . . . 5772 1 760 . 1 1 98 98 LEU H H 1 8.68 0.02 . 1 . . . . . . . . 5772 1 761 . 1 1 98 98 LEU HA H 1 4.731 0.02 . 1 . . . . . . . . 5772 1 762 . 1 1 98 98 LEU C C 13 174.39 0.3 . 1 . . . . . . . . 5772 1 763 . 1 1 98 98 LEU CA C 13 54.438 0.3 . 1 . . . . . . . . 5772 1 764 . 1 1 98 98 LEU CB C 13 39.476 0.3 . 1 . . . . . . . . 5772 1 765 . 1 1 98 98 LEU CG C 13 27.897 0.3 . 1 . . . . . . . . 5772 1 766 . 1 1 98 98 LEU CD1 C 13 24.877 0.3 . 1 . . . . . . . . 5772 1 767 . 1 1 98 98 LEU N N 15 126.978 0.2 . 1 . . . . . . . . 5772 1 768 . 1 1 99 99 ASN H H 1 8.148 0.02 . 1 . . . . . . . . 5772 1 769 . 1 1 99 99 ASN HD21 H 1 7.48 0.02 . 1 . . . . . . . . 5772 1 770 . 1 1 99 99 ASN HD22 H 1 6.5 0.02 . 1 . . . . . . . . 5772 1 771 . 1 1 99 99 ASN C C 13 176.43 0.3 . 1 . . . . . . . . 5772 1 772 . 1 1 99 99 ASN CA C 13 53.18 0.3 . 1 . . . . . . . . 5772 1 773 . 1 1 99 99 ASN CB C 13 40.421 0.3 . 1 . . . . . . . . 5772 1 774 . 1 1 99 99 ASN CG C 13 175.79 0.3 . 1 . . . . . . . . 5772 1 775 . 1 1 99 99 ASN N N 15 122.591 0.2 . 1 . . . . . . . . 5772 1 776 . 1 1 99 99 ASN ND2 N 15 112.7 0.2 . 1 . . . . . . . . 5772 1 777 . 1 1 100 100 SER HA H 1 4.261 0.02 . 1 . . . . . . . . 5772 1 778 . 1 1 100 100 SER HB2 H 1 3.998 0.02 . 1 . . . . . . . . 5772 1 779 . 1 1 100 100 SER HB3 H 1 3.998 0.02 . 1 . . . . . . . . 5772 1 780 . 1 1 100 100 SER CA C 13 61.2 0.3 . 1 . . . . . . . . 5772 1 781 . 1 1 100 100 SER CB C 13 62.74 0.3 . 1 . . . . . . . . 5772 1 782 . 1 1 101 101 ASP H H 1 7.85 0.02 . 1 . . . . . . . . 5772 1 783 . 1 1 101 101 ASP HA H 1 4.509 0.02 . 1 . . . . . . . . 5772 1 784 . 1 1 101 101 ASP HB2 H 1 3.061 0.02 . 1 . . . . . . . . 5772 1 785 . 1 1 101 101 ASP HB3 H 1 3.061 0.02 . 1 . . . . . . . . 5772 1 786 . 1 1 101 101 ASP C C 13 174.78 0.3 . 1 . . . . . . . . 5772 1 787 . 1 1 101 101 ASP CA C 13 53.625 0.3 . 1 . . . . . . . . 5772 1 788 . 1 1 101 101 ASP CB C 13 39.931 0.3 . 1 . . . . . . . . 5772 1 789 . 1 1 101 101 ASP N N 15 119.363 0.2 . 1 . . . . . . . . 5772 1 790 . 1 1 102 102 GLY H H 1 7.951 0.02 . 1 . . . . . . . . 5772 1 791 . 1 1 102 102 GLY HA2 H 1 4.533 0.02 . 1 . . . . . . . . 5772 1 792 . 1 1 102 102 GLY HA3 H 1 4.533 0.02 . 1 . . . . . . . . 5772 1 793 . 1 1 102 102 GLY C C 13 176.5 0.3 . 1 . . . . . . . . 5772 1 794 . 1 1 102 102 GLY CA C 13 45.452 0.3 . 1 . . . . . . . . 5772 1 795 . 1 1 102 102 GLY N N 15 107.627 0.2 . 1 . . . . . . . . 5772 1 796 . 1 1 103 103 SER H H 1 8.551 0.02 . 1 . . . . . . . . 5772 1 797 . 1 1 103 103 SER HA H 1 5.008 0.02 . 1 . . . . . . . . 5772 1 798 . 1 1 103 103 SER HB2 H 1 4.206 0.02 . 1 . . . . . . . . 5772 1 799 . 1 1 103 103 SER HB3 H 1 4.206 0.02 . 1 . . . . . . . . 5772 1 800 . 1 1 103 103 SER C C 13 174.39 0.3 . 1 . . . . . . . . 5772 1 801 . 1 1 103 103 SER CA C 13 58.772 0.3 . 1 . . . . . . . . 5772 1 802 . 1 1 103 103 SER CB C 13 65.41 0.3 . 1 . . . . . . . . 5772 1 803 . 1 1 103 103 SER N N 15 117.626 0.2 . 1 . . . . . . . . 5772 1 804 . 1 1 104 104 VAL H H 1 9.244 0.02 . 1 . . . . . . . . 5772 1 805 . 1 1 104 104 VAL HA H 1 4.922 0.02 . 1 . . . . . . . . 5772 1 806 . 1 1 104 104 VAL HB H 1 1.583 0.02 . 1 . . . . . . . . 5772 1 807 . 1 1 104 104 VAL HG11 H 1 0.541 0.02 . 1 . . . . . . . . 5772 1 808 . 1 1 104 104 VAL HG12 H 1 0.541 0.02 . 1 . . . . . . . . 5772 1 809 . 1 1 104 104 VAL HG13 H 1 0.541 0.02 . 1 . . . . . . . . 5772 1 810 . 1 1 104 104 VAL HG21 H 1 0.541 0.02 . 1 . . . . . . . . 5772 1 811 . 1 1 104 104 VAL HG22 H 1 0.541 0.02 . 1 . . . . . . . . 5772 1 812 . 1 1 104 104 VAL HG23 H 1 0.541 0.02 . 1 . . . . . . . . 5772 1 813 . 1 1 104 104 VAL C C 13 175.1 0.3 . 1 . . . . . . . . 5772 1 814 . 1 1 104 104 VAL CA C 13 62.009 0.3 . 1 . . . . . . . . 5772 1 815 . 1 1 104 104 VAL CB C 13 32.746 0.3 . 1 . . . . . . . . 5772 1 816 . 1 1 104 104 VAL CG1 C 13 20.962 0.3 . 1 . . . . . . . . 5772 1 817 . 1 1 104 104 VAL CG2 C 13 20.962 0.3 . 1 . . . . . . . . 5772 1 818 . 1 1 104 104 VAL N N 15 125.081 0.2 . 1 . . . . . . . . 5772 1 819 . 1 1 105 105 VAL H H 1 8.86 0.02 . 1 . . . . . . . . 5772 1 820 . 1 1 105 105 VAL HA H 1 4.863 0.02 . 1 . . . . . . . . 5772 1 821 . 1 1 105 105 VAL HB H 1 1.823 0.02 . 1 . . . . . . . . 5772 1 822 . 1 1 105 105 VAL HG11 H 1 1.029 0.02 . 1 . . . . . . . . 5772 1 823 . 1 1 105 105 VAL HG12 H 1 1.029 0.02 . 1 . . . . . . . . 5772 1 824 . 1 1 105 105 VAL HG13 H 1 1.029 0.02 . 1 . . . . . . . . 5772 1 825 . 1 1 105 105 VAL HG21 H 1 1.029 0.02 . 1 . . . . . . . . 5772 1 826 . 1 1 105 105 VAL HG22 H 1 1.029 0.02 . 1 . . . . . . . . 5772 1 827 . 1 1 105 105 VAL HG23 H 1 1.029 0.02 . 1 . . . . . . . . 5772 1 828 . 1 1 105 105 VAL C C 13 174.29 0.3 . 1 . . . . . . . . 5772 1 829 . 1 1 105 105 VAL CA C 13 60.04 0.3 . 1 . . . . . . . . 5772 1 830 . 1 1 105 105 VAL CB C 13 35.493 0.3 . 1 . . . . . . . . 5772 1 831 . 1 1 105 105 VAL CG1 C 13 22.478 0.3 . 2 . . . . . . . . 5772 1 832 . 1 1 105 105 VAL CG2 C 13 20.914 0.3 . 2 . . . . . . . . 5772 1 833 . 1 1 105 105 VAL N N 15 126.101 0.2 . 1 . . . . . . . . 5772 1 834 . 1 1 106 106 GLY H H 1 9.393 0.02 . 1 . . . . . . . . 5772 1 835 . 1 1 106 106 GLY HA2 H 1 3.444 0.02 . 1 . . . . . . . . 5772 1 836 . 1 1 106 106 GLY HA3 H 1 3.444 0.02 . 1 . . . . . . . . 5772 1 837 . 1 1 106 106 GLY C C 13 177.24 0.3 . 1 . . . . . . . . 5772 1 838 . 1 1 106 106 GLY CA C 13 46.86 0.3 . 1 . . . . . . . . 5772 1 839 . 1 1 106 106 GLY N N 15 115.196 0.2 . 1 . . . . . . . . 5772 1 840 . 1 1 107 107 VAL H H 1 7.851 0.02 . 1 . . . . . . . . 5772 1 841 . 1 1 107 107 VAL HA H 1 3.28 0.02 . 1 . . . . . . . . 5772 1 842 . 1 1 107 107 VAL HB H 1 1.716 0.02 . 1 . . . . . . . . 5772 1 843 . 1 1 107 107 VAL HG11 H 1 0.682 0.02 . 1 . . . . . . . . 5772 1 844 . 1 1 107 107 VAL HG12 H 1 0.682 0.02 . 1 . . . . . . . . 5772 1 845 . 1 1 107 107 VAL HG13 H 1 0.682 0.02 . 1 . . . . . . . . 5772 1 846 . 1 1 107 107 VAL HG21 H 1 0.682 0.02 . 1 . . . . . . . . 5772 1 847 . 1 1 107 107 VAL HG22 H 1 0.682 0.02 . 1 . . . . . . . . 5772 1 848 . 1 1 107 107 VAL HG23 H 1 0.682 0.02 . 1 . . . . . . . . 5772 1 849 . 1 1 107 107 VAL C C 13 174.85 0.3 . 1 . . . . . . . . 5772 1 850 . 1 1 107 107 VAL CA C 13 66.277 0.3 . 1 . . . . . . . . 5772 1 851 . 1 1 107 107 VAL CB C 13 31.363 0.3 . 1 . . . . . . . . 5772 1 852 . 1 1 107 107 VAL CG1 C 13 23.47 0.3 . 2 . . . . . . . . 5772 1 853 . 1 1 107 107 VAL CG2 C 13 20.003 0.3 . 2 . . . . . . . . 5772 1 854 . 1 1 107 107 VAL N N 15 128.283 0.2 . 1 . . . . . . . . 5772 1 855 . 1 1 108 108 GLN H H 1 6.495 0.02 . 1 . . . . . . . . 5772 1 856 . 1 1 108 108 GLN HA H 1 3.908 0.02 . 1 . . . . . . . . 5772 1 857 . 1 1 108 108 GLN HE21 H 1 7.82 0.02 . 1 . . . . . . . . 5772 1 858 . 1 1 108 108 GLN HE22 H 1 6.91 0.02 . 1 . . . . . . . . 5772 1 859 . 1 1 108 108 GLN C C 13 177.29 0.3 . 1 . . . . . . . . 5772 1 860 . 1 1 108 108 GLN CA C 13 58.05 0.3 . 1 . . . . . . . . 5772 1 861 . 1 1 108 108 GLN CB C 13 29.609 0.3 . 1 . . . . . . . . 5772 1 862 . 1 1 108 108 GLN CG C 13 33.448 0.3 . 1 . . . . . . . . 5772 1 863 . 1 1 108 108 GLN CD C 13 178.95 0.3 . 1 . . . . . . . . 5772 1 864 . 1 1 108 108 GLN N N 15 115.244 0.2 . 1 . . . . . . . . 5772 1 865 . 1 1 108 108 GLN NE2 N 15 112.9 0.2 . 1 . . . . . . . . 5772 1 866 . 1 1 109 109 SER H H 1 8.036 0.02 . 1 . . . . . . . . 5772 1 867 . 1 1 109 109 SER HA H 1 4.046 0.02 . 1 . . . . . . . . 5772 1 868 . 1 1 109 109 SER HB2 H 1 3.849 0.02 . 1 . . . . . . . . 5772 1 869 . 1 1 109 109 SER HB3 H 1 3.849 0.02 . 1 . . . . . . . . 5772 1 870 . 1 1 109 109 SER C C 13 176.52 0.3 . 1 . . . . . . . . 5772 1 871 . 1 1 109 109 SER CA C 13 59.354 0.3 . 1 . . . . . . . . 5772 1 872 . 1 1 109 109 SER CB C 13 64.335 0.3 . 1 . . . . . . . . 5772 1 873 . 1 1 109 109 SER N N 15 109.15 0.2 . 1 . . . . . . . . 5772 1 874 . 1 1 110 110 GLY H H 1 8.476 0.02 . 1 . . . . . . . . 5772 1 875 . 1 1 110 110 GLY HA2 H 1 4.02 0.02 . 1 . . . . . . . . 5772 1 876 . 1 1 110 110 GLY HA3 H 1 4.02 0.02 . 1 . . . . . . . . 5772 1 877 . 1 1 110 110 GLY C C 13 175.59 0.3 . 1 . . . . . . . . 5772 1 878 . 1 1 110 110 GLY CA C 13 46.263 0.3 . 1 . . . . . . . . 5772 1 879 . 1 1 110 110 GLY N N 15 113.292 0.2 . 1 . . . . . . . . 5772 1 880 . 1 1 111 111 LEU H H 1 7.877 0.02 . 1 . . . . . . . . 5772 1 881 . 1 1 111 111 LEU HA H 1 4.62 0.02 . 1 . . . . . . . . 5772 1 882 . 1 1 111 111 LEU CA C 13 53.625 0.3 . 1 . . . . . . . . 5772 1 883 . 1 1 111 111 LEU CB C 13 43.504 0.3 . 1 . . . . . . . . 5772 1 884 . 1 1 111 111 LEU CG C 13 27 0.3 . 1 . . . . . . . . 5772 1 885 . 1 1 111 111 LEU CD1 C 13 22.176 0.3 . 2 . . . . . . . . 5772 1 886 . 1 1 111 111 LEU CD2 C 13 25.543 0.3 . 2 . . . . . . . . 5772 1 887 . 1 1 111 111 LEU N N 15 119.523 0.2 . 1 . . . . . . . . 5772 1 888 . 1 1 112 112 CYS H H 1 8.262 0.02 . 1 . . . . . . . . 5772 1 889 . 1 1 112 112 CYS HA H 1 5.469 0.02 . 1 . . . . . . . . 5772 1 890 . 1 1 112 112 CYS HB2 H 1 3.467 0.02 . 1 . . . . . . . . 5772 1 891 . 1 1 112 112 CYS HB3 H 1 3.467 0.02 . 1 . . . . . . . . 5772 1 892 . 1 1 112 112 CYS C C 13 174.27 0.3 . 1 . . . . . . . . 5772 1 893 . 1 1 112 112 CYS CA C 13 60.852 0.3 . 1 . . . . . . . . 5772 1 894 . 1 1 112 112 CYS CB C 13 43.413 0.3 . 1 . . . . . . . . 5772 1 895 . 1 1 112 112 CYS N N 15 118.54 0.2 . 1 . . . . . . . . 5772 1 896 . 1 1 113 113 LEU H H 1 8.608 0.02 . 1 . . . . . . . . 5772 1 897 . 1 1 113 113 LEU HA H 1 4.259 0.02 . 1 . . . . . . . . 5772 1 898 . 1 1 113 113 LEU C C 13 175 0.3 . 1 . . . . . . . . 5772 1 899 . 1 1 113 113 LEU CA C 13 56.533 0.3 . 1 . . . . . . . . 5772 1 900 . 1 1 113 113 LEU CB C 13 43.246 0.3 . 1 . . . . . . . . 5772 1 901 . 1 1 113 113 LEU CG C 13 23.681 0.3 . 1 . . . . . . . . 5772 1 902 . 1 1 113 113 LEU CD1 C 13 25.576 0.3 . 1 . . . . . . . . 5772 1 903 . 1 1 113 113 LEU N N 15 120.808 0.2 . 1 . . . . . . . . 5772 1 904 . 1 1 114 114 ASP H H 1 9.308 0.02 . 1 . . . . . . . . 5772 1 905 . 1 1 114 114 ASP HA H 1 5.246 0.02 . 1 . . . . . . . . 5772 1 906 . 1 1 114 114 ASP HB2 H 1 2.649 0.02 . 1 . . . . . . . . 5772 1 907 . 1 1 114 114 ASP HB3 H 1 2.649 0.02 . 1 . . . . . . . . 5772 1 908 . 1 1 114 114 ASP C C 13 178.19 0.3 . 1 . . . . . . . . 5772 1 909 . 1 1 114 114 ASP CA C 13 54.56 0.3 . 1 . . . . . . . . 5772 1 910 . 1 1 114 114 ASP CB C 13 47.675 0.3 . 1 . . . . . . . . 5772 1 911 . 1 1 114 114 ASP N N 15 130.601 0.2 . 1 . . . . . . . . 5772 1 912 . 1 1 115 115 ALA H H 1 8.193 0.02 . 1 . . . . . . . . 5772 1 913 . 1 1 115 115 ALA HA H 1 4.864 0.02 . 1 . . . . . . . . 5772 1 914 . 1 1 115 115 ALA HB1 H 1 1.362 0.02 . 1 . . . . . . . . 5772 1 915 . 1 1 115 115 ALA HB2 H 1 1.362 0.02 . 1 . . . . . . . . 5772 1 916 . 1 1 115 115 ALA HB3 H 1 1.362 0.02 . 1 . . . . . . . . 5772 1 917 . 1 1 115 115 ALA C C 13 173.46 0.3 . 1 . . . . . . . . 5772 1 918 . 1 1 115 115 ALA CA C 13 51.765 0.3 . 1 . . . . . . . . 5772 1 919 . 1 1 115 115 ALA CB C 13 18.248 0.3 . 1 . . . . . . . . 5772 1 920 . 1 1 115 115 ALA N N 15 128.002 0.2 . 1 . . . . . . . . 5772 1 921 . 1 1 116 116 VAL H H 1 8.447 0.02 . 1 . . . . . . . . 5772 1 922 . 1 1 116 116 VAL HA H 1 4.951 0.02 . 1 . . . . . . . . 5772 1 923 . 1 1 116 116 VAL HB H 1 2.428 0.02 . 1 . . . . . . . . 5772 1 924 . 1 1 116 116 VAL HG11 H 1 1.065 0.02 . 1 . . . . . . . . 5772 1 925 . 1 1 116 116 VAL HG12 H 1 1.065 0.02 . 1 . . . . . . . . 5772 1 926 . 1 1 116 116 VAL HG13 H 1 1.065 0.02 . 1 . . . . . . . . 5772 1 927 . 1 1 116 116 VAL HG21 H 1 1.065 0.02 . 1 . . . . . . . . 5772 1 928 . 1 1 116 116 VAL HG22 H 1 1.065 0.02 . 1 . . . . . . . . 5772 1 929 . 1 1 116 116 VAL HG23 H 1 1.065 0.02 . 1 . . . . . . . . 5772 1 930 . 1 1 116 116 VAL C C 13 176.19 0.3 . 1 . . . . . . . . 5772 1 931 . 1 1 116 116 VAL CA C 13 64.498 0.3 . 1 . . . . . . . . 5772 1 932 . 1 1 116 116 VAL CB C 13 32.111 0.3 . 1 . . . . . . . . 5772 1 933 . 1 1 116 116 VAL CG1 C 13 22.352 0.3 . 2 . . . . . . . . 5772 1 934 . 1 1 116 116 VAL CG2 C 13 20.935 0.3 . 2 . . . . . . . . 5772 1 935 . 1 1 116 116 VAL N N 15 126.797 0.2 . 1 . . . . . . . . 5772 1 936 . 1 1 117 117 GLY H H 1 9.075 0.02 . 1 . . . . . . . . 5772 1 937 . 1 1 117 117 GLY HA2 H 1 3.688 0.02 . 1 . . . . . . . . 5772 1 938 . 1 1 117 117 GLY HA3 H 1 3.688 0.02 . 1 . . . . . . . . 5772 1 939 . 1 1 117 117 GLY C C 13 178.99 0.3 . 1 . . . . . . . . 5772 1 940 . 1 1 117 117 GLY CA C 13 46.2 0.3 . 1 . . . . . . . . 5772 1 941 . 1 1 117 117 GLY N N 15 119.076 0.2 . 1 . . . . . . . . 5772 1 942 . 1 1 118 118 ASN H H 1 8.11 0.02 . 1 . . . . . . . . 5772 1 943 . 1 1 118 118 ASN HA H 1 3.954 0.02 . 1 . . . . . . . . 5772 1 944 . 1 1 118 118 ASN HB2 H 1 3.032 0.02 . 1 . . . . . . . . 5772 1 945 . 1 1 118 118 ASN HB3 H 1 3.032 0.02 . 1 . . . . . . . . 5772 1 946 . 1 1 118 118 ASN HD21 H 1 7.1 0.02 . 1 . . . . . . . . 5772 1 947 . 1 1 118 118 ASN HD22 H 1 5.88 0.02 . 1 . . . . . . . . 5772 1 948 . 1 1 118 118 ASN C C 13 175.6 0.3 . 1 . . . . . . . . 5772 1 949 . 1 1 118 118 ASN CA C 13 54.253 0.3 . 1 . . . . . . . . 5772 1 950 . 1 1 118 118 ASN CB C 13 37.764 0.3 . 1 . . . . . . . . 5772 1 951 . 1 1 118 118 ASN CG C 13 180.9 0.3 . 1 . . . . . . . . 5772 1 952 . 1 1 118 118 ASN N N 15 113.721 0.2 . 1 . . . . . . . . 5772 1 953 . 1 1 118 118 ASN ND2 N 15 107.48 0.2 . 1 . . . . . . . . 5772 1 954 . 1 1 119 119 GLY H H 1 7.601 0.02 . 1 . . . . . . . . 5772 1 955 . 1 1 119 119 GLY HA2 H 1 3.849 0.02 . 1 . . . . . . . . 5772 1 956 . 1 1 119 119 GLY HA3 H 1 3.849 0.02 . 1 . . . . . . . . 5772 1 957 . 1 1 119 119 GLY C C 13 175.09 0.3 . 1 . . . . . . . . 5772 1 958 . 1 1 119 119 GLY CA C 13 46.142 0.3 . 1 . . . . . . . . 5772 1 959 . 1 1 119 119 GLY N N 15 105.75 0.2 . 1 . . . . . . . . 5772 1 960 . 1 1 120 120 THR H H 1 8.19 0.02 . 1 . . . . . . . . 5772 1 961 . 1 1 120 120 THR HA H 1 4.176 0.02 . 2 . . . . . . . . 5772 1 962 . 1 1 120 120 THR HB H 1 4.074 0.02 . 2 . . . . . . . . 5772 1 963 . 1 1 120 120 THR HG21 H 1 0.867 0.02 . 1 . . . . . . . . 5772 1 964 . 1 1 120 120 THR HG22 H 1 0.867 0.02 . 1 . . . . . . . . 5772 1 965 . 1 1 120 120 THR HG23 H 1 0.867 0.02 . 1 . . . . . . . . 5772 1 966 . 1 1 120 120 THR C C 13 172.93 0.3 . 1 . . . . . . . . 5772 1 967 . 1 1 120 120 THR CA C 13 59.768 0.3 . 1 . . . . . . . . 5772 1 968 . 1 1 120 120 THR CB C 13 70.368 0.3 . 1 . . . . . . . . 5772 1 969 . 1 1 120 120 THR CG2 C 13 21.127 0.3 . 1 . . . . . . . . 5772 1 970 . 1 1 120 120 THR N N 15 107.638 0.2 . 1 . . . . . . . . 5772 1 971 . 1 1 121 121 ALA H H 1 7.202 0.02 . 1 . . . . . . . . 5772 1 972 . 1 1 121 121 ALA HA H 1 4.013 0.02 . 1 . . . . . . . . 5772 1 973 . 1 1 121 121 ALA HB1 H 1 1.279 0.02 . 1 . . . . . . . . 5772 1 974 . 1 1 121 121 ALA HB2 H 1 1.279 0.02 . 1 . . . . . . . . 5772 1 975 . 1 1 121 121 ALA HB3 H 1 1.279 0.02 . 1 . . . . . . . . 5772 1 976 . 1 1 121 121 ALA C C 13 174.2 0.3 . 1 . . . . . . . . 5772 1 977 . 1 1 121 121 ALA CA C 13 51.527 0.3 . 1 . . . . . . . . 5772 1 978 . 1 1 121 121 ALA CB C 13 20.751 0.3 . 1 . . . . . . . . 5772 1 979 . 1 1 121 121 ALA N N 15 122.847 0.2 . 1 . . . . . . . . 5772 1 980 . 1 1 122 122 ASN H H 1 8.341 0.02 . 1 . . . . . . . . 5772 1 981 . 1 1 122 122 ASN HA H 1 4.04 0.02 . 1 . . . . . . . . 5772 1 982 . 1 1 122 122 ASN HB2 H 1 1.883 0.02 . 1 . . . . . . . . 5772 1 983 . 1 1 122 122 ASN HB3 H 1 1.883 0.02 . 1 . . . . . . . . 5772 1 984 . 1 1 122 122 ASN HD21 H 1 6.6 0.02 . 1 . . . . . . . . 5772 1 985 . 1 1 122 122 ASN HD22 H 1 6.3 0.02 . 1 . . . . . . . . 5772 1 986 . 1 1 122 122 ASN C C 13 178.5 0.3 . 1 . . . . . . . . 5772 1 987 . 1 1 122 122 ASN CA C 13 53.98 0.3 . 1 . . . . . . . . 5772 1 988 . 1 1 122 122 ASN CB C 13 36.12 0.3 . 1 . . . . . . . . 5772 1 989 . 1 1 122 122 ASN CG C 13 181.2 0.3 . 1 . . . . . . . . 5772 1 990 . 1 1 122 122 ASN N N 15 120.121 0.2 . 1 . . . . . . . . 5772 1 991 . 1 1 122 122 ASN ND2 N 15 108.1 0.2 . 1 . . . . . . . . 5772 1 992 . 1 1 123 123 GLY H H 1 9.475 0.02 . 1 . . . . . . . . 5772 1 993 . 1 1 123 123 GLY HA2 H 1 4.424 0.02 . 1 . . . . . . . . 5772 1 994 . 1 1 123 123 GLY HA3 H 1 4.424 0.02 . 1 . . . . . . . . 5772 1 995 . 1 1 123 123 GLY C C 13 177.084 0.3 . 1 . . . . . . . . 5772 1 996 . 1 1 123 123 GLY CA C 13 44.479 0.3 . 1 . . . . . . . . 5772 1 997 . 1 1 123 123 GLY N N 15 112.986 0.2 . 1 . . . . . . . . 5772 1 998 . 1 1 124 124 THR H H 1 7.68 0.02 . 1 . . . . . . . . 5772 1 999 . 1 1 124 124 THR HA H 1 3.933 0.02 . 2 . . . . . . . . 5772 1 1000 . 1 1 124 124 THR HB H 1 3.774 0.02 . 2 . . . . . . . . 5772 1 1001 . 1 1 124 124 THR HG21 H 1 1.411 0.02 . 1 . . . . . . . . 5772 1 1002 . 1 1 124 124 THR HG22 H 1 1.411 0.02 . 1 . . . . . . . . 5772 1 1003 . 1 1 124 124 THR HG23 H 1 1.411 0.02 . 1 . . . . . . . . 5772 1 1004 . 1 1 124 124 THR C C 13 174.88 0.3 . 1 . . . . . . . . 5772 1 1005 . 1 1 124 124 THR CA C 13 65.155 0.3 . 1 . . . . . . . . 5772 1 1006 . 1 1 124 124 THR CB C 13 70.294 0.3 . 1 . . . . . . . . 5772 1 1007 . 1 1 124 124 THR CG2 C 13 20.845 0.3 . 1 . . . . . . . . 5772 1 1008 . 1 1 124 124 THR N N 15 119.036 0.2 . 1 . . . . . . . . 5772 1 1009 . 1 1 125 125 LEU H H 1 8.469 0.02 . 1 . . . . . . . . 5772 1 1010 . 1 1 125 125 LEU HA H 1 4.837 0.02 . 1 . . . . . . . . 5772 1 1011 . 1 1 125 125 LEU C C 13 173.38 0.3 . 1 . . . . . . . . 5772 1 1012 . 1 1 125 125 LEU CA C 13 55.107 0.3 . 1 . . . . . . . . 5772 1 1013 . 1 1 125 125 LEU CB C 13 43.369 0.3 . 1 . . . . . . . . 5772 1 1014 . 1 1 125 125 LEU CG C 13 26.76 0.3 . 1 . . . . . . . . 5772 1 1015 . 1 1 125 125 LEU CD1 C 13 22.382 0.3 . 2 . . . . . . . . 5772 1 1016 . 1 1 125 125 LEU CD2 C 13 25.237 0.3 . 2 . . . . . . . . 5772 1 1017 . 1 1 125 125 LEU N N 15 127.341 0.2 . 1 . . . . . . . . 5772 1 1018 . 1 1 126 126 ILE H H 1 7.027 0.02 . 1 . . . . . . . . 5772 1 1019 . 1 1 126 126 ILE HA H 1 4.919 0.02 . 1 . . . . . . . . 5772 1 1020 . 1 1 126 126 ILE C C 13 175.25 0.3 . 1 . . . . . . . . 5772 1 1021 . 1 1 126 126 ILE CA C 13 57.549 0.3 . 1 . . . . . . . . 5772 1 1022 . 1 1 126 126 ILE CB C 13 36.506 0.3 . 1 . . . . . . . . 5772 1 1023 . 1 1 126 126 ILE CG1 C 13 25.783 0.3 . 1 . . . . . . . . 5772 1 1024 . 1 1 126 126 ILE CD1 C 13 17.923 0.3 . 1 . . . . . . . . 5772 1 1025 . 1 1 126 126 ILE N N 15 116.655 0.2 . 1 . . . . . . . . 5772 1 1026 . 1 1 127 127 GLN H H 1 9.337 0.02 . 1 . . . . . . . . 5772 1 1027 . 1 1 127 127 GLN HA H 1 5.411 0.02 . 1 . . . . . . . . 5772 1 1028 . 1 1 127 127 GLN HE21 H 1 8.05 0.02 . 1 . . . . . . . . 5772 1 1029 . 1 1 127 127 GLN HE22 H 1 6.47 0.02 . 1 . . . . . . . . 5772 1 1030 . 1 1 127 127 GLN C C 13 174.76 0.3 . 1 . . . . . . . . 5772 1 1031 . 1 1 127 127 GLN CA C 13 52.899 0.3 . 1 . . . . . . . . 5772 1 1032 . 1 1 127 127 GLN CB C 13 32.22 0.3 . 1 . . . . . . . . 5772 1 1033 . 1 1 127 127 GLN CG C 13 31.093 0.3 . 1 . . . . . . . . 5772 1 1034 . 1 1 127 127 GLN CD C 13 179.47 0.3 . 1 . . . . . . . . 5772 1 1035 . 1 1 127 127 GLN N N 15 126.014 0.2 . 1 . . . . . . . . 5772 1 1036 . 1 1 127 127 GLN NE2 N 15 112.3 0.2 . 1 . . . . . . . . 5772 1 1037 . 1 1 128 128 LEU H H 1 8.216 0.02 . 1 . . . . . . . . 5772 1 1038 . 1 1 128 128 LEU HA H 1 5.245 0.02 . 1 . . . . . . . . 5772 1 1039 . 1 1 128 128 LEU C C 13 174.16 0.3 . 1 . . . . . . . . 5772 1 1040 . 1 1 128 128 LEU CA C 13 53.18 0.3 . 1 . . . . . . . . 5772 1 1041 . 1 1 128 128 LEU CB C 13 44.829 0.3 . 1 . . . . . . . . 5772 1 1042 . 1 1 128 128 LEU CG C 13 22.735 0.3 . 1 . . . . . . . . 5772 1 1043 . 1 1 128 128 LEU CD1 C 13 26.451 0.3 . 1 . . . . . . . . 5772 1 1044 . 1 1 128 128 LEU N N 15 117.164 0.2 . 1 . . . . . . . . 5772 1 1045 . 1 1 129 129 TYR H H 1 9.438 0.02 . 1 . . . . . . . . 5772 1 1046 . 1 1 129 129 TYR HA H 1 4.723 0.02 . 1 . . . . . . . . 5772 1 1047 . 1 1 129 129 TYR HB2 H 1 2.625 0.02 . 1 . . . . . . . . 5772 1 1048 . 1 1 129 129 TYR HB3 H 1 2.625 0.02 . 1 . . . . . . . . 5772 1 1049 . 1 1 129 129 TYR C C 13 177.65 0.3 . 1 . . . . . . . . 5772 1 1050 . 1 1 129 129 TYR CA C 13 58.38 0.3 . 1 . . . . . . . . 5772 1 1051 . 1 1 129 129 TYR N N 15 124.233 0.2 . 1 . . . . . . . . 5772 1 1052 . 1 1 130 130 THR H H 1 7.54 0.02 . 1 . . . . . . . . 5772 1 1053 . 1 1 130 130 THR HA H 1 3.881 0.02 . 2 . . . . . . . . 5772 1 1054 . 1 1 130 130 THR HB H 1 3.802 0.02 . 2 . . . . . . . . 5772 1 1055 . 1 1 130 130 THR HG21 H 1 1.199 0.02 . 1 . . . . . . . . 5772 1 1056 . 1 1 130 130 THR HG22 H 1 1.199 0.02 . 1 . . . . . . . . 5772 1 1057 . 1 1 130 130 THR HG23 H 1 1.199 0.02 . 1 . . . . . . . . 5772 1 1058 . 1 1 130 130 THR C C 13 173.53 0.3 . 1 . . . . . . . . 5772 1 1059 . 1 1 130 130 THR CA C 13 64.75 0.3 . 1 . . . . . . . . 5772 1 1060 . 1 1 130 130 THR CB C 13 70.479 0.3 . 1 . . . . . . . . 5772 1 1061 . 1 1 130 130 THR CG2 C 13 21.208 0.3 . 1 . . . . . . . . 5772 1 1062 . 1 1 130 130 THR N N 15 122.071 0.2 . 1 . . . . . . . . 5772 1 1063 . 1 1 131 131 CYS H H 1 9.397 0.02 . 1 . . . . . . . . 5772 1 1064 . 1 1 131 131 CYS HA H 1 5.219 0.02 . 1 . . . . . . . . 5772 1 1065 . 1 1 131 131 CYS HB2 H 1 3.328 0.02 . 1 . . . . . . . . 5772 1 1066 . 1 1 131 131 CYS HB3 H 1 3.328 0.02 . 1 . . . . . . . . 5772 1 1067 . 1 1 131 131 CYS C C 13 175.25 0.3 . 1 . . . . . . . . 5772 1 1068 . 1 1 131 131 CYS CA C 13 56.992 0.3 . 1 . . . . . . . . 5772 1 1069 . 1 1 131 131 CYS CB C 13 43.506 0.3 . 1 . . . . . . . . 5772 1 1070 . 1 1 131 131 CYS N N 15 129.282 0.2 . 1 . . . . . . . . 5772 1 1071 . 1 1 132 132 SER H H 1 10.216 0.02 . 1 . . . . . . . . 5772 1 1072 . 1 1 132 132 SER HA H 1 4.649 0.02 . 1 . . . . . . . . 5772 1 1073 . 1 1 132 132 SER HB2 H 1 4.047 0.02 . 1 . . . . . . . . 5772 1 1074 . 1 1 132 132 SER HB3 H 1 4.047 0.02 . 1 . . . . . . . . 5772 1 1075 . 1 1 132 132 SER C C 13 175.82 0.3 . 1 . . . . . . . . 5772 1 1076 . 1 1 132 132 SER CA C 13 57.49 0.3 . 1 . . . . . . . . 5772 1 1077 . 1 1 132 132 SER CB C 13 65.733 0.3 . 1 . . . . . . . . 5772 1 1078 . 1 1 132 132 SER N N 15 121.715 0.2 . 1 . . . . . . . . 5772 1 1079 . 1 1 133 133 ASN H H 1 8.947 0.02 . 1 . . . . . . . . 5772 1 1080 . 1 1 133 133 ASN HA H 1 4.479 0.02 . 1 . . . . . . . . 5772 1 1081 . 1 1 133 133 ASN HB2 H 1 3.034 0.02 . 1 . . . . . . . . 5772 1 1082 . 1 1 133 133 ASN HB3 H 1 3.034 0.02 . 1 . . . . . . . . 5772 1 1083 . 1 1 133 133 ASN HD21 H 1 7.47 0.02 . 1 . . . . . . . . 5772 1 1084 . 1 1 133 133 ASN HD22 H 1 6.76 0.02 . 1 . . . . . . . . 5772 1 1085 . 1 1 133 133 ASN C C 13 175.15 0.3 . 1 . . . . . . . . 5772 1 1086 . 1 1 133 133 ASN CA C 13 54.547 0.3 . 1 . . . . . . . . 5772 1 1087 . 1 1 133 133 ASN CB C 13 38.009 0.3 . 1 . . . . . . . . 5772 1 1088 . 1 1 133 133 ASN CG C 13 178.2 0.3 . 1 . . . . . . . . 5772 1 1089 . 1 1 133 133 ASN N N 15 118.719 0.2 . 1 . . . . . . . . 5772 1 1090 . 1 1 133 133 ASN ND2 N 15 111.6 0.2 . 1 . . . . . . . . 5772 1 1091 . 1 1 134 134 GLY H H 1 8.069 0.02 . 1 . . . . . . . . 5772 1 1092 . 1 1 134 134 GLY HA2 H 1 4.045 0.02 . 1 . . . . . . . . 5772 1 1093 . 1 1 134 134 GLY HA3 H 1 4.045 0.02 . 1 . . . . . . . . 5772 1 1094 . 1 1 134 134 GLY C C 13 175.101 0.3 . 1 . . . . . . . . 5772 1 1095 . 1 1 134 134 GLY CA C 13 45.235 0.3 . 1 . . . . . . . . 5772 1 1096 . 1 1 134 134 GLY N N 15 105.926 0.2 . 1 . . . . . . . . 5772 1 1097 . 1 1 135 135 SER HA H 1 4.208 0.02 . 1 . . . . . . . . 5772 1 1098 . 1 1 135 135 SER HB2 H 1 3.796 0.02 . 1 . . . . . . . . 5772 1 1099 . 1 1 135 135 SER HB3 H 1 3.796 0.02 . 1 . . . . . . . . 5772 1 1100 . 1 1 135 135 SER CA C 13 61.12 0.3 . 1 . . . . . . . . 5772 1 1101 . 1 1 135 135 SER CB C 13 62.493 0.3 . 1 . . . . . . . . 5772 1 1102 . 1 1 135 135 SER N N 15 119.272 0.2 . 1 . . . . . . . . 5772 1 1103 . 1 1 136 136 ASN H H 1 8.264 0.02 . 1 . . . . . . . . 5772 1 1104 . 1 1 136 136 ASN HA H 1 4.425 0.02 . 1 . . . . . . . . 5772 1 1105 . 1 1 136 136 ASN HB2 H 1 3.113 0.02 . 1 . . . . . . . . 5772 1 1106 . 1 1 136 136 ASN HB3 H 1 3.113 0.02 . 1 . . . . . . . . 5772 1 1107 . 1 1 136 136 ASN HD21 H 1 7.3 0.02 . 1 . . . . . . . . 5772 1 1108 . 1 1 136 136 ASN HD22 H 1 6.57 0.02 . 1 . . . . . . . . 5772 1 1109 . 1 1 136 136 ASN CA C 13 54.271 0.3 . 1 . . . . . . . . 5772 1 1110 . 1 1 136 136 ASN CB C 13 37.752 0.3 . 1 . . . . . . . . 5772 1 1111 . 1 1 136 136 ASN CG C 13 178.1 0.3 . 1 . . . . . . . . 5772 1 1112 . 1 1 136 136 ASN N N 15 119.146 0.2 . 1 . . . . . . . . 5772 1 1113 . 1 1 136 136 ASN ND2 N 15 111.6 0.2 . 1 . . . . . . . . 5772 1 1114 . 1 1 137 137 GLN H H 1 7.382 0.02 . 1 . . . . . . . . 5772 1 1115 . 1 1 137 137 GLN HA H 1 5.027 0.02 . 1 . . . . . . . . 5772 1 1116 . 1 1 137 137 GLN HE21 H 1 9.47 0.02 . 1 . . . . . . . . 5772 1 1117 . 1 1 137 137 GLN HE22 H 1 7.3 0.02 . 1 . . . . . . . . 5772 1 1118 . 1 1 137 137 GLN C C 13 173.98 0.3 . 1 . . . . . . . . 5772 1 1119 . 1 1 137 137 GLN CA C 13 53.736 0.3 . 1 . . . . . . . . 5772 1 1120 . 1 1 137 137 GLN CB C 13 30.533 0.3 . 1 . . . . . . . . 5772 1 1121 . 1 1 137 137 GLN CG C 13 32.784 0.3 . 1 . . . . . . . . 5772 1 1122 . 1 1 137 137 GLN CD C 13 180.8 0.3 . 1 . . . . . . . . 5772 1 1123 . 1 1 137 137 GLN N N 15 115.701 0.2 . 1 . . . . . . . . 5772 1 1124 . 1 1 137 137 GLN NE2 N 15 110.5 0.2 . 1 . . . . . . . . 5772 1 1125 . 1 1 138 138 ARG H H 1 6.556 0.02 . 1 . . . . . . . . 5772 1 1126 . 1 1 138 138 ARG HA H 1 4.618 0.02 . 1 . . . . . . . . 5772 1 1127 . 1 1 138 138 ARG HD2 H 1 3.06 0.02 . 1 . . . . . . . . 5772 1 1128 . 1 1 138 138 ARG HD3 H 1 3.06 0.02 . 1 . . . . . . . . 5772 1 1129 . 1 1 138 138 ARG C C 13 175.41 0.3 . 1 . . . . . . . . 5772 1 1130 . 1 1 138 138 ARG CA C 13 54.554 0.3 . 1 . . . . . . . . 5772 1 1131 . 1 1 138 138 ARG CB C 13 32.704 0.3 . 1 . . . . . . . . 5772 1 1132 . 1 1 138 138 ARG CG C 13 27.371 0.3 . 1 . . . . . . . . 5772 1 1133 . 1 1 138 138 ARG CD C 13 43.767 0.3 . 1 . . . . . . . . 5772 1 1134 . 1 1 138 138 ARG N N 15 119.547 0.2 . 1 . . . . . . . . 5772 1 1135 . 1 1 139 139 TRP H H 1 9.388 0.02 . 1 . . . . . . . . 5772 1 1136 . 1 1 139 139 TRP HA H 1 5.386 0.02 . 1 . . . . . . . . 5772 1 1137 . 1 1 139 139 TRP HB2 H 1 2.873 0.02 . 1 . . . . . . . . 5772 1 1138 . 1 1 139 139 TRP HB3 H 1 2.873 0.02 . 1 . . . . . . . . 5772 1 1139 . 1 1 139 139 TRP C C 13 175.15 0.3 . 1 . . . . . . . . 5772 1 1140 . 1 1 139 139 TRP CA C 13 55.721 0.3 . 1 . . . . . . . . 5772 1 1141 . 1 1 139 139 TRP CB C 13 31.857 0.3 . 1 . . . . . . . . 5772 1 1142 . 1 1 139 139 TRP N N 15 127.411 0.2 . 1 . . . . . . . . 5772 1 1143 . 1 1 140 140 THR H H 1 9.907 0.02 . 1 . . . . . . . . 5772 1 1144 . 1 1 140 140 THR HA H 1 4.705 0.02 . 2 . . . . . . . . 5772 1 1145 . 1 1 140 140 THR HB H 1 4.067 0.02 . 2 . . . . . . . . 5772 1 1146 . 1 1 140 140 THR HG21 H 1 1.115 0.02 . 1 . . . . . . . . 5772 1 1147 . 1 1 140 140 THR HG22 H 1 1.115 0.02 . 1 . . . . . . . . 5772 1 1148 . 1 1 140 140 THR HG23 H 1 1.115 0.02 . 1 . . . . . . . . 5772 1 1149 . 1 1 140 140 THR C C 13 175.73 0.3 . 1 . . . . . . . . 5772 1 1150 . 1 1 140 140 THR CA C 13 60.034 0.3 . 1 . . . . . . . . 5772 1 1151 . 1 1 140 140 THR CB C 13 70.923 0.3 . 1 . . . . . . . . 5772 1 1152 . 1 1 140 140 THR CG2 C 13 21.162 0.3 . 1 . . . . . . . . 5772 1 1153 . 1 1 140 140 THR N N 15 117.338 0.2 . 1 . . . . . . . . 5772 1 1154 . 1 1 141 141 ARG H H 1 8.582 0.02 . 1 . . . . . . . . 5772 1 1155 . 1 1 141 141 ARG HA H 1 5.195 0.02 . 1 . . . . . . . . 5772 1 1156 . 1 1 141 141 ARG HD2 H 1 3.172 0.02 . 1 . . . . . . . . 5772 1 1157 . 1 1 141 141 ARG HD3 H 1 3.172 0.02 . 1 . . . . . . . . 5772 1 1158 . 1 1 141 141 ARG C C 13 173.24 0.3 . 1 . . . . . . . . 5772 1 1159 . 1 1 141 141 ARG CA C 13 54.612 0.3 . 1 . . . . . . . . 5772 1 1160 . 1 1 141 141 ARG CB C 13 31.075 0.3 . 1 . . . . . . . . 5772 1 1161 . 1 1 141 141 ARG CG C 13 27.022 0.3 . 1 . . . . . . . . 5772 1 1162 . 1 1 141 141 ARG CD C 13 42.861 0.3 . 1 . . . . . . . . 5772 1 1163 . 1 1 141 141 ARG N N 15 123.935 0.2 . 1 . . . . . . . . 5772 1 1164 . 1 1 142 142 THR H H 1 7.924 0.02 . 1 . . . . . . . . 5772 1 1165 . 1 1 142 142 THR CA C 13 62.537 0.3 . 1 . . . . . . . . 5772 1 1166 . 1 1 142 142 THR CB C 13 70.623 0.3 . 1 . . . . . . . . 5772 1 1167 . 1 1 142 142 THR N N 15 120.481 0.2 . 1 . . . . . . . . 5772 1 stop_ save_