data_52665 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52665 _Entry.Title ; Chemical shift assignment of human recombinant mature CyPD (FL-CyPD) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-10-25 _Entry.Accession_date 2024-10-25 _Entry.Last_release_date 2024-10-25 _Entry.Original_release_date 2024-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Gabriele Coluccino . . . 0009-0007-9173-7807 52665 2 Alessandra Corazza . . . 0000-0003-2272-1928 52665 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Udine' . 52665 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52665 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 52665 '15N chemical shifts' 158 52665 '1H chemical shifts' 158 52665 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 . . 2024-12-11 . original BMRB . 52665 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52661 'Chemical shift assignment of human recombinant DN-CyPD' 52665 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52665 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39528709 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; N-terminal cleavage of cyclophilin D boosts its ability to bind F-ATP synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 1486 _Citation.Page_last 1486 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gabriele Coluccino G. . . . 52665 1 2 Alessandro Negro A. . . . 52665 1 3 Antonio Filippi A. . . . 52665 1 4 Camilla Bean C. . . . 52665 1 5 'Valentina Pia' Muraca V. P. . . 52665 1 6 Clarissa Gissi C. . . . 52665 1 7 Diana Canetti D. . . . 52665 1 8 'Maria Chiara' Mimmi M. C. . . 52665 1 9 Elisa Zamprogno E. . . . 52665 1 10 Francesco Ciscato F. . . . 52665 1 11 Laura Acquasaliente L. . . . 52665 1 12 Vincenzo 'De Filippis' V. . . . 52665 1 13 Marina Comelli M. . . . 52665 1 14 Michela Carraro M. . . . 52665 1 15 Andrea Rasola A. . . . 52665 1 16 Christoph Gerle C. . . . 52665 1 17 Paolo Bernardi P. . . . 52665 1 18 Alessandra Corazza A. . . . 52665 1 19 Giovanna Lippe G. . . . 52665 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CyPD 52665 1 CyPF 52665 1 'Cyclophilin D' 52665 1 FL-CyPD 52665 1 'Mitochondrial PPIase' 52665 1 Ppif 52665 1 mPTP 52665 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52665 _Assembly.ID 1 _Assembly.Name FL-CyPD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18897.38 _Assembly.Enzyme_commission_number 5.2.1.8 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FL-CyPD 1 $entity_1 . . yes native no no . . . 52665 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52665 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CSKGSGDPSSSSSSGNPLVY LDVDANGKPLGRVVLELKAD VVPKTAENFRALCTGEKGFG YKGSTFHRVIPSFMCQAGDF TNHNGTGGKSIYGSRFPDEN FTLKHVGPGVLSMANAGPNT NGSQFFICTIKTDWLDGKHV VFGHVKEGMDVVKKIESFGS KSGRTSKKIVITDCGQLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'From 1 to 178' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18897.38 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CYS . 52665 1 2 . SER . 52665 1 3 . LYS . 52665 1 4 . GLY . 52665 1 5 . SER . 52665 1 6 . GLY . 52665 1 7 . ASP . 52665 1 8 . PRO . 52665 1 9 . SER . 52665 1 10 . SER . 52665 1 11 . SER . 52665 1 12 . SER . 52665 1 13 . SER . 52665 1 14 . SER . 52665 1 15 . GLY . 52665 1 16 . ASN . 52665 1 17 . PRO . 52665 1 18 . LEU . 52665 1 19 . VAL . 52665 1 20 . TYR . 52665 1 21 . LEU . 52665 1 22 . ASP . 52665 1 23 . VAL . 52665 1 24 . ASP . 52665 1 25 . ALA . 52665 1 26 . ASN . 52665 1 27 . GLY . 52665 1 28 . LYS . 52665 1 29 . PRO . 52665 1 30 . LEU . 52665 1 31 . GLY . 52665 1 32 . ARG . 52665 1 33 . VAL . 52665 1 34 . VAL . 52665 1 35 . LEU . 52665 1 36 . GLU . 52665 1 37 . LEU . 52665 1 38 . LYS . 52665 1 39 . ALA . 52665 1 40 . ASP . 52665 1 41 . VAL . 52665 1 42 . VAL . 52665 1 43 . PRO . 52665 1 44 . LYS . 52665 1 45 . THR . 52665 1 46 . ALA . 52665 1 47 . GLU . 52665 1 48 . ASN . 52665 1 49 . PHE . 52665 1 50 . ARG . 52665 1 51 . ALA . 52665 1 52 . LEU . 52665 1 53 . CYS . 52665 1 54 . THR . 52665 1 55 . GLY . 52665 1 56 . GLU . 52665 1 57 . LYS . 52665 1 58 . GLY . 52665 1 59 . PHE . 52665 1 60 . GLY . 52665 1 61 . TYR . 52665 1 62 . LYS . 52665 1 63 . GLY . 52665 1 64 . SER . 52665 1 65 . THR . 52665 1 66 . PHE . 52665 1 67 . HIS . 52665 1 68 . ARG . 52665 1 69 . VAL . 52665 1 70 . ILE . 52665 1 71 . PRO . 52665 1 72 . SER . 52665 1 73 . PHE . 52665 1 74 . MET . 52665 1 75 . CYS . 52665 1 76 . GLN . 52665 1 77 . ALA . 52665 1 78 . GLY . 52665 1 79 . ASP . 52665 1 80 . PHE . 52665 1 81 . THR . 52665 1 82 . ASN . 52665 1 83 . HIS . 52665 1 84 . ASN . 52665 1 85 . GLY . 52665 1 86 . THR . 52665 1 87 . GLY . 52665 1 88 . GLY . 52665 1 89 . LYS . 52665 1 90 . SER . 52665 1 91 . ILE . 52665 1 92 . TYR . 52665 1 93 . GLY . 52665 1 94 . SER . 52665 1 95 . ARG . 52665 1 96 . PHE . 52665 1 97 . PRO . 52665 1 98 . ASP . 52665 1 99 . GLU . 52665 1 100 . ASN . 52665 1 101 . PHE . 52665 1 102 . THR . 52665 1 103 . LEU . 52665 1 104 . LYS . 52665 1 105 . HIS . 52665 1 106 . VAL . 52665 1 107 . GLY . 52665 1 108 . PRO . 52665 1 109 . GLY . 52665 1 110 . VAL . 52665 1 111 . LEU . 52665 1 112 . SER . 52665 1 113 . MET . 52665 1 114 . ALA . 52665 1 115 . ASN . 52665 1 116 . ALA . 52665 1 117 . GLY . 52665 1 118 . PRO . 52665 1 119 . ASN . 52665 1 120 . THR . 52665 1 121 . ASN . 52665 1 122 . GLY . 52665 1 123 . SER . 52665 1 124 . GLN . 52665 1 125 . PHE . 52665 1 126 . PHE . 52665 1 127 . ILE . 52665 1 128 . CYS . 52665 1 129 . THR . 52665 1 130 . ILE . 52665 1 131 . LYS . 52665 1 132 . THR . 52665 1 133 . ASP . 52665 1 134 . TRP . 52665 1 135 . LEU . 52665 1 136 . ASP . 52665 1 137 . GLY . 52665 1 138 . LYS . 52665 1 139 . HIS . 52665 1 140 . VAL . 52665 1 141 . VAL . 52665 1 142 . PHE . 52665 1 143 . GLY . 52665 1 144 . HIS . 52665 1 145 . VAL . 52665 1 146 . LYS . 52665 1 147 . GLU . 52665 1 148 . GLY . 52665 1 149 . MET . 52665 1 150 . ASP . 52665 1 151 . VAL . 52665 1 152 . VAL . 52665 1 153 . LYS . 52665 1 154 . LYS . 52665 1 155 . ILE . 52665 1 156 . GLU . 52665 1 157 . SER . 52665 1 158 . PHE . 52665 1 159 . GLY . 52665 1 160 . SER . 52665 1 161 . LYS . 52665 1 162 . SER . 52665 1 163 . GLY . 52665 1 164 . ARG . 52665 1 165 . THR . 52665 1 166 . SER . 52665 1 167 . LYS . 52665 1 168 . LYS . 52665 1 169 . ILE . 52665 1 170 . VAL . 52665 1 171 . ILE . 52665 1 172 . THR . 52665 1 173 . ASP . 52665 1 174 . CYS . 52665 1 175 . GLY . 52665 1 176 . GLN . 52665 1 177 . LEU . 52665 1 178 . SER . 52665 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 . CYS 1 1 52665 1 . SER 2 2 52665 1 . LYS 3 3 52665 1 . GLY 4 4 52665 1 . SER 5 5 52665 1 . GLY 6 6 52665 1 . ASP 7 7 52665 1 . PRO 8 8 52665 1 . SER 9 9 52665 1 . SER 10 10 52665 1 . SER 11 11 52665 1 . SER 12 12 52665 1 . SER 13 13 52665 1 . SER 14 14 52665 1 . GLY 15 15 52665 1 . ASN 16 16 52665 1 . PRO 17 17 52665 1 . LEU 18 18 52665 1 . VAL 19 19 52665 1 . TYR 20 20 52665 1 . LEU 21 21 52665 1 . ASP 22 22 52665 1 . VAL 23 23 52665 1 . ASP 24 24 52665 1 . ALA 25 25 52665 1 . ASN 26 26 52665 1 . GLY 27 27 52665 1 . LYS 28 28 52665 1 . PRO 29 29 52665 1 . LEU 30 30 52665 1 . GLY 31 31 52665 1 . ARG 32 32 52665 1 . VAL 33 33 52665 1 . VAL 34 34 52665 1 . LEU 35 35 52665 1 . GLU 36 36 52665 1 . LEU 37 37 52665 1 . LYS 38 38 52665 1 . ALA 39 39 52665 1 . ASP 40 40 52665 1 . VAL 41 41 52665 1 . VAL 42 42 52665 1 . PRO 43 43 52665 1 . LYS 44 44 52665 1 . THR 45 45 52665 1 . ALA 46 46 52665 1 . GLU 47 47 52665 1 . ASN 48 48 52665 1 . PHE 49 49 52665 1 . ARG 50 50 52665 1 . ALA 51 51 52665 1 . LEU 52 52 52665 1 . CYS 53 53 52665 1 . THR 54 54 52665 1 . GLY 55 55 52665 1 . GLU 56 56 52665 1 . LYS 57 57 52665 1 . GLY 58 58 52665 1 . PHE 59 59 52665 1 . GLY 60 60 52665 1 . TYR 61 61 52665 1 . LYS 62 62 52665 1 . GLY 63 63 52665 1 . SER 64 64 52665 1 . THR 65 65 52665 1 . PHE 66 66 52665 1 . HIS 67 67 52665 1 . ARG 68 68 52665 1 . VAL 69 69 52665 1 . ILE 70 70 52665 1 . PRO 71 71 52665 1 . SER 72 72 52665 1 . PHE 73 73 52665 1 . MET 74 74 52665 1 . CYS 75 75 52665 1 . GLN 76 76 52665 1 . ALA 77 77 52665 1 . GLY 78 78 52665 1 . ASP 79 79 52665 1 . PHE 80 80 52665 1 . THR 81 81 52665 1 . ASN 82 82 52665 1 . HIS 83 83 52665 1 . ASN 84 84 52665 1 . GLY 85 85 52665 1 . THR 86 86 52665 1 . GLY 87 87 52665 1 . GLY 88 88 52665 1 . LYS 89 89 52665 1 . SER 90 90 52665 1 . ILE 91 91 52665 1 . TYR 92 92 52665 1 . GLY 93 93 52665 1 . SER 94 94 52665 1 . ARG 95 95 52665 1 . PHE 96 96 52665 1 . PRO 97 97 52665 1 . ASP 98 98 52665 1 . GLU 99 99 52665 1 . ASN 100 100 52665 1 . PHE 101 101 52665 1 . THR 102 102 52665 1 . LEU 103 103 52665 1 . LYS 104 104 52665 1 . HIS 105 105 52665 1 . VAL 106 106 52665 1 . GLY 107 107 52665 1 . PRO 108 108 52665 1 . GLY 109 109 52665 1 . VAL 110 110 52665 1 . LEU 111 111 52665 1 . SER 112 112 52665 1 . MET 113 113 52665 1 . ALA 114 114 52665 1 . ASN 115 115 52665 1 . ALA 116 116 52665 1 . GLY 117 117 52665 1 . PRO 118 118 52665 1 . ASN 119 119 52665 1 . THR 120 120 52665 1 . ASN 121 121 52665 1 . GLY 122 122 52665 1 . SER 123 123 52665 1 . GLN 124 124 52665 1 . PHE 125 125 52665 1 . PHE 126 126 52665 1 . ILE 127 127 52665 1 . CYS 128 128 52665 1 . THR 129 129 52665 1 . ILE 130 130 52665 1 . LYS 131 131 52665 1 . THR 132 132 52665 1 . ASP 133 133 52665 1 . TRP 134 134 52665 1 . LEU 135 135 52665 1 . ASP 136 136 52665 1 . GLY 137 137 52665 1 . LYS 138 138 52665 1 . HIS 139 139 52665 1 . VAL 140 140 52665 1 . VAL 141 141 52665 1 . PHE 142 142 52665 1 . GLY 143 143 52665 1 . HIS 144 144 52665 1 . VAL 145 145 52665 1 . LYS 146 146 52665 1 . GLU 147 147 52665 1 . GLY 148 148 52665 1 . MET 149 149 52665 1 . ASP 150 150 52665 1 . VAL 151 151 52665 1 . VAL 152 152 52665 1 . LYS 153 153 52665 1 . LYS 154 154 52665 1 . ILE 155 155 52665 1 . GLU 156 156 52665 1 . SER 157 157 52665 1 . PHE 158 158 52665 1 . GLY 159 159 52665 1 . SER 160 160 52665 1 . LYS 161 161 52665 1 . SER 162 162 52665 1 . GLY 163 163 52665 1 . ARG 164 164 52665 1 . THR 165 165 52665 1 . SER 166 166 52665 1 . LYS 167 167 52665 1 . LYS 168 168 52665 1 . ILE 169 169 52665 1 . VAL 170 170 52665 1 . ILE 171 171 52665 1 . THR 172 172 52665 1 . ASP 173 173 52665 1 . CYS 174 174 52665 1 . GLY 175 175 52665 1 . GLN 176 176 52665 1 . LEU 177 177 52665 1 . SER 178 178 52665 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52665 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . Ppif . 52665 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52665 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21 DE3 pLySS' . . plasmid . . pRSETA . . . 52665 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52665 _Sample.ID 1 _Sample.Name FL-CyPD _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM NaPi pH 7.00; 2 mM DTE' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cyclophilin D' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 52665 1 2 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 52665 1 3 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 52665 1 4 DTE 'natural abundance' . . . . . . 2 . . mM . . . . 52665 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52665 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard conditions' _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 7.00 . pH 52665 1 pressure 1 . atm 52665 1 temperature 298 . K 52665 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52665 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52665 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52665 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52665 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52665 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52665 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52665 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52665 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52665 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52665 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52665 1 6 '3D HN(CO)CA' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52665 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52665 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name TSP _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP protons . . . . Hz -15.84 internal indirect 1 . . . . . 52665 1 H 1 TSP protons . . . . Hz -62.99 internal direct 1 . . . . . 52665 1 N 15 TSP protons . . . . Hz -6.38 internal indirect 1 . . . . . 52665 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52665 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FL-CyPD _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52665 1 2 '3D HNCO' . . . 52665 1 3 '3D HN(CA)CO' . . . 52665 1 4 '3D HNCA' . . . 52665 1 5 '3D HNCACB' . . . 52665 1 6 '3D HN(CO)CA' . . . 52665 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52665 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 GLY H H 1 8.481 0.000 . . . . . . . 4 GLY H . 52665 1 2 . 1 . 1 4 4 GLY C C 13 171.655 0.000 . . . . . . . 4 GLY CO . 52665 1 3 . 1 . 1 4 4 GLY CA C 13 42.570 0.000 . . . . . . . 4 GLY CA . 52665 1 4 . 1 . 1 4 4 GLY N N 15 110.455 0.001 . . . . . . . 4 GLY N . 52665 1 5 . 1 . 1 5 5 SER H H 1 8.314 0.008 . . . . . . . 5 SER H . 52665 1 6 . 1 . 1 5 5 SER C C 13 172.337 0.044 . . . . . . . 5 SER CO . 52665 1 7 . 1 . 1 5 5 SER CA C 13 55.948 0.017 . . . . . . . 5 SER CA . 52665 1 8 . 1 . 1 5 5 SER N N 15 115.749 0.099 . . . . . . . 5 SER N . 52665 1 9 . 1 . 1 6 6 GLY H H 1 8.469 0.003 . . . . . . . 6 GLY H . 52665 1 10 . 1 . 1 6 6 GLY C C 13 170.845 0.017 . . . . . . . 6 GLY CO . 52665 1 11 . 1 . 1 6 6 GLY CA C 13 42.425 0.018 . . . . . . . 6 GLY CA . 52665 1 12 . 1 . 1 6 6 GLY N N 15 110.733 0.030 . . . . . . . 6 GLY N . 52665 1 13 . 1 . 1 7 7 ASP H H 1 8.178 0.002 . . . . . . . 7 ASP H . 52665 1 14 . 1 . 1 7 7 ASP C C 13 172.440 0.000 . . . . . . . 7 ASP CO . 52665 1 15 . 1 . 1 7 7 ASP CA C 13 49.433 0.131 . . . . . . . 7 ASP CA . 52665 1 16 . 1 . 1 7 7 ASP CB C 13 38.459 0.000 . . . . . . . 7 ASP CB . 52665 1 17 . 1 . 1 7 7 ASP N N 15 121.595 0.028 . . . . . . . 7 ASP N . 52665 1 18 . 1 . 1 8 8 PRO C C 13 174.676 0.001 . . . . . . . 8 PRO CO . 52665 1 19 . 1 . 1 8 8 PRO CA C 13 61.139 0.013 . . . . . . . 8 PRO CA . 52665 1 20 . 1 . 1 8 8 PRO CB C 13 29.388 0.000 . . . . . . . 8 PRO CB . 52665 1 21 . 1 . 1 9 9 SER H H 1 8.491 0.004 . . . . . . . 9 SER H . 52665 1 22 . 1 . 1 9 9 SER C C 13 172.620 0.000 . . . . . . . 9 SER CO . 52665 1 23 . 1 . 1 9 9 SER CA C 13 56.318 0.023 . . . . . . . 9 SER CA . 52665 1 24 . 1 . 1 9 9 SER CB C 13 61.144 0.000 . . . . . . . 9 SER CB . 52665 1 25 . 1 . 1 9 9 SER N N 15 115.484 0.026 . . . . . . . 9 SER N . 52665 1 26 . 1 . 1 14 14 SER C C 13 172.228 0.000 . . . . . . . 14 SER CO . 52665 1 27 . 1 . 1 14 14 SER CA C 13 55.986 0.115 . . . . . . . 14 SER CA . 52665 1 28 . 1 . 1 14 14 SER CB C 13 61.415 0.000 . . . . . . . 14 SER CB . 52665 1 29 . 1 . 1 15 15 GLY H H 1 8.336 0.002 . . . . . . . 15 GLY H . 52665 1 30 . 1 . 1 15 15 GLY C C 13 171.260 0.005 . . . . . . . 15 GLY CO . 52665 1 31 . 1 . 1 15 15 GLY CA C 13 42.287 0.023 . . . . . . . 15 GLY CA . 52665 1 32 . 1 . 1 15 15 GLY N N 15 110.696 0.020 . . . . . . . 15 GLY N . 52665 1 33 . 1 . 1 16 16 ASN H H 1 8.224 0.002 . . . . . . . 16 ASN H . 52665 1 34 . 1 . 1 16 16 ASN C C 13 171.356 0.000 . . . . . . . 16 ASN CO . 52665 1 35 . 1 . 1 16 16 ASN CA C 13 48.532 0.044 . . . . . . . 16 ASN CA . 52665 1 36 . 1 . 1 16 16 ASN CB C 13 35.287 0.000 . . . . . . . 16 ASN CB . 52665 1 37 . 1 . 1 16 16 ASN N N 15 121.912 0.022 . . . . . . . 16 ASN N . 52665 1 38 . 1 . 1 17 17 PRO C C 13 171.983 0.008 . . . . . . . 17 PRO CO . 52665 1 39 . 1 . 1 17 17 PRO CA C 13 60.454 0.109 . . . . . . . 17 PRO CA . 52665 1 40 . 1 . 1 17 17 PRO CB C 13 30.185 0.000 . . . . . . . 17 PRO CB . 52665 1 41 . 1 . 1 18 18 LEU H H 1 8.526 0.002 . . . . . . . 18 LEU H . 52665 1 42 . 1 . 1 18 18 LEU C C 13 174.831 0.039 . . . . . . . 18 LEU CO . 52665 1 43 . 1 . 1 18 18 LEU CA C 13 50.492 0.041 . . . . . . . 18 LEU CA . 52665 1 44 . 1 . 1 18 18 LEU CB C 13 42.197 0.053 . . . . . . . 18 LEU CB . 52665 1 45 . 1 . 1 18 18 LEU N N 15 121.245 0.030 . . . . . . . 18 LEU N . 52665 1 46 . 1 . 1 19 19 VAL H H 1 9.127 0.003 . . . . . . . 19 VAL H . 52665 1 47 . 1 . 1 19 19 VAL C C 13 170.681 0.056 . . . . . . . 19 VAL CO . 52665 1 48 . 1 . 1 19 19 VAL CA C 13 55.547 0.051 . . . . . . . 19 VAL CA . 52665 1 49 . 1 . 1 19 19 VAL CB C 13 32.697 0.045 . . . . . . . 19 VAL CB . 52665 1 50 . 1 . 1 19 19 VAL N N 15 115.066 0.024 . . . . . . . 19 VAL N . 52665 1 51 . 1 . 1 20 20 TYR H H 1 8.709 0.003 . . . . . . . 20 TYR H . 52665 1 52 . 1 . 1 20 20 TYR C C 13 169.986 0.030 . . . . . . . 20 TYR CO . 52665 1 53 . 1 . 1 20 20 TYR CA C 13 52.304 0.021 . . . . . . . 20 TYR CA . 52665 1 54 . 1 . 1 20 20 TYR CB C 13 40.060 0.010 . . . . . . . 20 TYR CB . 52665 1 55 . 1 . 1 20 20 TYR N N 15 116.568 0.015 . . . . . . . 20 TYR N . 52665 1 56 . 1 . 1 21 21 LEU H H 1 8.993 0.002 . . . . . . . 21 LEU H . 52665 1 57 . 1 . 1 21 21 LEU C C 13 172.421 0.015 . . . . . . . 21 LEU CO . 52665 1 58 . 1 . 1 21 21 LEU CA C 13 51.147 0.084 . . . . . . . 21 LEU CA . 52665 1 59 . 1 . 1 21 21 LEU CB C 13 42.586 0.011 . . . . . . . 21 LEU CB . 52665 1 60 . 1 . 1 21 21 LEU N N 15 116.324 0.031 . . . . . . . 21 LEU N . 52665 1 61 . 1 . 1 22 22 ASP H H 1 9.179 0.003 . . . . . . . 22 ASP H . 52665 1 62 . 1 . 1 22 22 ASP C C 13 173.383 0.003 . . . . . . . 22 ASP CO . 52665 1 63 . 1 . 1 22 22 ASP CA C 13 51.886 0.067 . . . . . . . 22 ASP CA . 52665 1 64 . 1 . 1 22 22 ASP CB C 13 39.259 0.000 . . . . . . . 22 ASP CB . 52665 1 65 . 1 . 1 22 22 ASP N N 15 125.928 0.049 . . . . . . . 22 ASP N . 52665 1 66 . 1 . 1 23 23 VAL H H 1 8.142 0.002 . . . . . . . 23 VAL H . 52665 1 67 . 1 . 1 23 23 VAL C C 13 172.257 0.079 . . . . . . . 23 VAL CO . 52665 1 68 . 1 . 1 23 23 VAL CA C 13 57.419 0.135 . . . . . . . 23 VAL CA . 52665 1 69 . 1 . 1 23 23 VAL CB C 13 32.704 0.029 . . . . . . . 23 VAL CB . 52665 1 70 . 1 . 1 23 23 VAL N N 15 118.819 0.022 . . . . . . . 23 VAL N . 52665 1 71 . 1 . 1 24 24 ASP H H 1 9.530 0.002 . . . . . . . 24 ASP H . 52665 1 72 . 1 . 1 24 24 ASP C C 13 171.697 0.052 . . . . . . . 24 ASP CO . 52665 1 73 . 1 . 1 24 24 ASP CA C 13 50.209 0.024 . . . . . . . 24 ASP CA . 52665 1 74 . 1 . 1 24 24 ASP CB C 13 42.606 0.013 . . . . . . . 24 ASP CB . 52665 1 75 . 1 . 1 24 24 ASP N N 15 127.346 0.030 . . . . . . . 24 ASP N . 52665 1 76 . 1 . 1 25 25 ALA H H 1 8.622 0.003 . . . . . . . 25 ALA H . 52665 1 77 . 1 . 1 25 25 ALA C C 13 174.796 0.010 . . . . . . . 25 ALA CO . 52665 1 78 . 1 . 1 25 25 ALA CA C 13 47.488 0.058 . . . . . . . 25 ALA CA . 52665 1 79 . 1 . 1 25 25 ALA CB C 13 18.869 0.022 . . . . . . . 25 ALA CB . 52665 1 80 . 1 . 1 25 25 ALA N N 15 118.692 0.022 . . . . . . . 25 ALA N . 52665 1 81 . 1 . 1 26 26 ASN H H 1 9.319 0.003 . . . . . . . 26 ASN H . 52665 1 82 . 1 . 1 26 26 ASN C C 13 172.375 0.024 . . . . . . . 26 ASN CO . 52665 1 83 . 1 . 1 26 26 ASN CA C 13 50.908 0.119 . . . . . . . 26 ASN CA . 52665 1 84 . 1 . 1 26 26 ASN CB C 13 34.765 0.023 . . . . . . . 26 ASN CB . 52665 1 85 . 1 . 1 26 26 ASN N N 15 125.782 0.024 . . . . . . . 26 ASN N . 52665 1 86 . 1 . 1 27 27 GLY H H 1 8.633 0.412 . . . . . . . 27 GLY H . 52665 1 87 . 1 . 1 27 27 GLY C C 13 171.235 0.098 . . . . . . . 27 GLY CO . 52665 1 88 . 1 . 1 27 27 GLY CA C 13 42.953 0.114 . . . . . . . 27 GLY CA . 52665 1 89 . 1 . 1 27 27 GLY N N 15 107.060 6.729 . . . . . . . 27 GLY N . 52665 1 90 . 1 . 1 28 28 LYS H H 1 7.716 0.001 . . . . . . . 28 LYS H . 52665 1 91 . 1 . 1 28 28 LYS C C 13 171.128 0.000 . . . . . . . 28 LYS CO . 52665 1 92 . 1 . 1 28 28 LYS CA C 13 49.654 0.117 . . . . . . . 28 LYS CA . 52665 1 93 . 1 . 1 28 28 LYS CB C 13 30.428 0.000 . . . . . . . 28 LYS CB . 52665 1 94 . 1 . 1 28 28 LYS N N 15 122.126 0.018 . . . . . . . 28 LYS N . 52665 1 95 . 1 . 1 29 29 PRO C C 13 175.346 0.020 . . . . . . . 29 PRO CO . 52665 1 96 . 1 . 1 29 29 PRO CA C 13 61.414 0.087 . . . . . . . 29 PRO CA . 52665 1 97 . 1 . 1 29 29 PRO CB C 13 29.747 0.000 . . . . . . . 29 PRO CB . 52665 1 98 . 1 . 1 30 30 LEU H H 1 9.770 0.004 . . . . . . . 30 LEU H . 52665 1 99 . 1 . 1 30 30 LEU C C 13 173.827 0.074 . . . . . . . 30 LEU CO . 52665 1 100 . 1 . 1 30 30 LEU CA C 13 52.128 0.095 . . . . . . . 30 LEU CA . 52665 1 101 . 1 . 1 30 30 LEU CB C 13 40.948 0.000 . . . . . . . 30 LEU CB . 52665 1 102 . 1 . 1 30 30 LEU N N 15 122.629 0.036 . . . . . . . 30 LEU N . 52665 1 103 . 1 . 1 31 31 GLY H H 1 7.674 0.002 . . . . . . . 31 GLY H . 52665 1 104 . 1 . 1 31 31 GLY C C 13 168.073 0.022 . . . . . . . 31 GLY CO . 52665 1 105 . 1 . 1 31 31 GLY CA C 13 41.326 0.107 . . . . . . . 31 GLY CA . 52665 1 106 . 1 . 1 31 31 GLY N N 15 104.852 0.027 . . . . . . . 31 GLY N . 52665 1 107 . 1 . 1 32 32 ARG H H 1 8.275 0.002 . . . . . . . 32 ARG H . 52665 1 108 . 1 . 1 32 32 ARG C C 13 172.505 0.020 . . . . . . . 32 ARG CO . 52665 1 109 . 1 . 1 32 32 ARG CA C 13 52.090 0.083 . . . . . . . 32 ARG CA . 52665 1 110 . 1 . 1 32 32 ARG CB C 13 31.486 0.000 . . . . . . . 32 ARG CB . 52665 1 111 . 1 . 1 32 32 ARG N N 15 121.361 0.036 . . . . . . . 32 ARG N . 52665 1 112 . 1 . 1 33 33 VAL H H 1 9.531 0.003 . . . . . . . 33 VAL H . 52665 1 113 . 1 . 1 33 33 VAL C C 13 172.505 0.097 . . . . . . . 33 VAL CO . 52665 1 114 . 1 . 1 33 33 VAL CA C 13 58.418 0.101 . . . . . . . 33 VAL CA . 52665 1 115 . 1 . 1 33 33 VAL CB C 13 31.599 0.000 . . . . . . . 33 VAL CB . 52665 1 116 . 1 . 1 33 33 VAL N N 15 126.502 0.041 . . . . . . . 33 VAL N . 52665 1 117 . 1 . 1 34 34 VAL H H 1 8.903 0.003 . . . . . . . 34 VAL H . 52665 1 118 . 1 . 1 34 34 VAL C C 13 173.050 0.039 . . . . . . . 34 VAL CO . 52665 1 119 . 1 . 1 34 34 VAL CA C 13 59.081 0.122 . . . . . . . 34 VAL CA . 52665 1 120 . 1 . 1 34 34 VAL CB C 13 30.998 0.060 . . . . . . . 34 VAL CB . 52665 1 121 . 1 . 1 34 34 VAL N N 15 126.770 0.015 . . . . . . . 34 VAL N . 52665 1 122 . 1 . 1 35 35 LEU H H 1 9.627 0.003 . . . . . . . 35 LEU H . 52665 1 123 . 1 . 1 35 35 LEU C C 13 171.589 0.046 . . . . . . . 35 LEU CO . 52665 1 124 . 1 . 1 35 35 LEU CA C 13 50.699 0.046 . . . . . . . 35 LEU CA . 52665 1 125 . 1 . 1 35 35 LEU CB C 13 40.443 0.007 . . . . . . . 35 LEU CB . 52665 1 126 . 1 . 1 35 35 LEU N N 15 128.853 0.033 . . . . . . . 35 LEU N . 52665 1 127 . 1 . 1 36 36 GLU H H 1 8.625 0.003 . . . . . . . 36 GLU H . 52665 1 128 . 1 . 1 36 36 GLU C C 13 172.602 0.009 . . . . . . . 36 GLU CO . 52665 1 129 . 1 . 1 36 36 GLU CA C 13 52.251 0.080 . . . . . . . 36 GLU CA . 52665 1 130 . 1 . 1 36 36 GLU CB C 13 28.867 0.238 . . . . . . . 36 GLU CB . 52665 1 131 . 1 . 1 36 36 GLU N N 15 111.767 25.413 . . . . . . . 36 GLU N . 52665 1 132 . 1 . 1 37 37 LEU H H 1 8.462 0.003 . . . . . . . 37 LEU H . 52665 1 133 . 1 . 1 37 37 LEU C C 13 174.488 0.117 . . . . . . . 37 LEU CO . 52665 1 134 . 1 . 1 37 37 LEU CA C 13 49.360 0.144 . . . . . . . 37 LEU CA . 52665 1 135 . 1 . 1 37 37 LEU CB C 13 40.224 0.001 . . . . . . . 37 LEU CB . 52665 1 136 . 1 . 1 37 37 LEU N N 15 124.516 0.037 . . . . . . . 37 LEU N . 52665 1 137 . 1 . 1 38 38 LYS H H 1 8.875 0.002 . . . . . . . 38 LYS H . 52665 1 138 . 1 . 1 38 38 LYS C C 13 173.984 0.041 . . . . . . . 38 LYS CO . 52665 1 139 . 1 . 1 38 38 LYS CA C 13 50.967 0.070 . . . . . . . 38 LYS CA . 52665 1 140 . 1 . 1 38 38 LYS CB C 13 25.081 0.080 . . . . . . . 38 LYS CB . 52665 1 141 . 1 . 1 38 38 LYS N N 15 125.085 0.042 . . . . . . . 38 LYS N . 52665 1 142 . 1 . 1 39 39 ALA H H 1 8.181 0.002 . . . . . . . 39 ALA H . 52665 1 143 . 1 . 1 39 39 ALA C C 13 173.236 0.018 . . . . . . . 39 ALA CO . 52665 1 144 . 1 . 1 39 39 ALA CA C 13 51.451 0.009 . . . . . . . 39 ALA CA . 52665 1 145 . 1 . 1 39 39 ALA CB C 13 16.125 0.003 . . . . . . . 39 ALA CB . 52665 1 146 . 1 . 1 39 39 ALA N N 15 128.584 0.025 . . . . . . . 39 ALA N . 52665 1 147 . 1 . 1 40 40 ASP H H 1 9.078 0.003 . . . . . . . 40 ASP H . 52665 1 148 . 1 . 1 40 40 ASP C C 13 173.999 0.010 . . . . . . . 40 ASP CO . 52665 1 149 . 1 . 1 40 40 ASP CA C 13 52.442 0.111 . . . . . . . 40 ASP CA . 52665 1 150 . 1 . 1 40 40 ASP CB C 13 35.764 0.006 . . . . . . . 40 ASP CB . 52665 1 151 . 1 . 1 40 40 ASP N N 15 114.079 0.020 . . . . . . . 40 ASP N . 52665 1 152 . 1 . 1 41 41 VAL H H 1 7.592 0.003 . . . . . . . 41 VAL H . 52665 1 153 . 1 . 1 41 41 VAL C C 13 173.258 0.006 . . . . . . . 41 VAL CO . 52665 1 154 . 1 . 1 41 41 VAL CA C 13 61.209 0.072 . . . . . . . 41 VAL CA . 52665 1 155 . 1 . 1 41 41 VAL CB C 13 32.669 0.032 . . . . . . . 41 VAL CB . 52665 1 156 . 1 . 1 41 41 VAL N N 15 119.710 0.044 . . . . . . . 41 VAL N . 52665 1 157 . 1 . 1 42 42 VAL H H 1 8.259 0.003 . . . . . . . 42 VAL H . 52665 1 158 . 1 . 1 42 42 VAL C C 13 169.712 0.000 . . . . . . . 42 VAL CO . 52665 1 159 . 1 . 1 42 42 VAL CA C 13 54.991 0.084 . . . . . . . 42 VAL CA . 52665 1 160 . 1 . 1 42 42 VAL CB C 13 28.931 0.000 . . . . . . . 42 VAL CB . 52665 1 161 . 1 . 1 42 42 VAL N N 15 113.661 0.024 . . . . . . . 42 VAL N . 52665 1 162 . 1 . 1 43 43 PRO C C 13 178.610 0.013 . . . . . . . 43 PRO CO . 52665 1 163 . 1 . 1 43 43 PRO CA C 13 63.392 0.043 . . . . . . . 43 PRO CA . 52665 1 164 . 1 . 1 44 44 LYS H H 1 10.764 0.003 . . . . . . . 44 LYS H . 52665 1 165 . 1 . 1 44 44 LYS C C 13 179.332 0.026 . . . . . . . 44 LYS CO . 52665 1 166 . 1 . 1 44 44 LYS CA C 13 57.416 0.107 . . . . . . . 44 LYS CA . 52665 1 167 . 1 . 1 44 44 LYS CB C 13 28.775 0.000 . . . . . . . 44 LYS CB . 52665 1 168 . 1 . 1 44 44 LYS N N 15 122.504 0.021 . . . . . . . 44 LYS N . 52665 1 169 . 1 . 1 45 45 THR H H 1 10.343 0.004 . . . . . . . 45 THR H . 52665 1 170 . 1 . 1 45 45 THR C C 13 175.035 0.095 . . . . . . . 45 THR CO . 52665 1 171 . 1 . 1 45 45 THR CA C 13 64.820 0.097 . . . . . . . 45 THR CA . 52665 1 172 . 1 . 1 45 45 THR CB C 13 66.149 0.011 . . . . . . . 45 THR CB . 52665 1 173 . 1 . 1 45 45 THR N N 15 124.647 0.026 . . . . . . . 45 THR N . 52665 1 174 . 1 . 1 46 46 ALA H H 1 9.264 0.002 . . . . . . . 46 ALA H . 52665 1 175 . 1 . 1 46 46 ALA C C 13 175.315 0.011 . . . . . . . 46 ALA CO . 52665 1 176 . 1 . 1 46 46 ALA CA C 13 53.302 0.023 . . . . . . . 46 ALA CA . 52665 1 177 . 1 . 1 46 46 ALA CB C 13 15.919 0.023 . . . . . . . 46 ALA CB . 52665 1 178 . 1 . 1 46 46 ALA N N 15 125.605 0.020 . . . . . . . 46 ALA N . 52665 1 179 . 1 . 1 47 47 GLU H H 1 8.036 0.002 . . . . . . . 47 GLU H . 52665 1 180 . 1 . 1 47 47 GLU C C 13 174.636 0.008 . . . . . . . 47 GLU CO . 52665 1 181 . 1 . 1 47 47 GLU CA C 13 55.379 0.046 . . . . . . . 47 GLU CA . 52665 1 182 . 1 . 1 47 47 GLU CB C 13 25.364 0.054 . . . . . . . 47 GLU CB . 52665 1 183 . 1 . 1 47 47 GLU N N 15 117.539 0.016 . . . . . . . 47 GLU N . 52665 1 184 . 1 . 1 48 48 ASN H H 1 7.116 0.003 . . . . . . . 48 ASN H . 52665 1 185 . 1 . 1 48 48 ASN C C 13 171.719 0.010 . . . . . . . 48 ASN CO . 52665 1 186 . 1 . 1 48 48 ASN CA C 13 53.908 0.054 . . . . . . . 48 ASN CA . 52665 1 187 . 1 . 1 48 48 ASN CB C 13 36.883 0.024 . . . . . . . 48 ASN CB . 52665 1 188 . 1 . 1 48 48 ASN N N 15 114.977 0.037 . . . . . . . 48 ASN N . 52665 1 189 . 1 . 1 49 49 PHE H H 1 7.065 0.004 . . . . . . . 49 PHE H . 52665 1 190 . 1 . 1 49 49 PHE C C 13 175.040 0.139 . . . . . . . 49 PHE CO . 52665 1 191 . 1 . 1 49 49 PHE CA C 13 59.304 0.078 . . . . . . . 49 PHE CA . 52665 1 192 . 1 . 1 49 49 PHE CB C 13 37.911 0.000 . . . . . . . 49 PHE CB . 52665 1 193 . 1 . 1 49 49 PHE N N 15 117.293 0.012 . . . . . . . 49 PHE N . 52665 1 194 . 1 . 1 50 50 ARG H H 1 8.891 0.003 . . . . . . . 50 ARG H . 52665 1 195 . 1 . 1 50 50 ARG C C 13 175.573 0.037 . . . . . . . 50 ARG CO . 52665 1 196 . 1 . 1 50 50 ARG CA C 13 58.016 0.058 . . . . . . . 50 ARG CA . 52665 1 197 . 1 . 1 50 50 ARG CB C 13 27.575 0.033 . . . . . . . 50 ARG CB . 52665 1 198 . 1 . 1 50 50 ARG N N 15 119.246 0.029 . . . . . . . 50 ARG N . 52665 1 199 . 1 . 1 51 51 ALA H H 1 8.436 0.002 . . . . . . . 51 ALA H . 52665 1 200 . 1 . 1 51 51 ALA C C 13 179.115 0.009 . . . . . . . 51 ALA CO . 52665 1 201 . 1 . 1 51 51 ALA CA C 13 51.473 0.047 . . . . . . . 51 ALA CA . 52665 1 202 . 1 . 1 51 51 ALA N N 15 118.107 0.035 . . . . . . . 51 ALA N . 52665 1 203 . 1 . 1 52 52 LEU H H 1 7.933 0.002 . . . . . . . 52 LEU H . 52665 1 204 . 1 . 1 52 52 LEU C C 13 177.025 0.026 . . . . . . . 52 LEU CO . 52665 1 205 . 1 . 1 52 52 LEU CA C 13 54.473 0.097 . . . . . . . 52 LEU CA . 52665 1 206 . 1 . 1 52 52 LEU CB C 13 38.253 0.019 . . . . . . . 52 LEU CB . 52665 1 207 . 1 . 1 52 52 LEU N N 15 122.115 0.032 . . . . . . . 52 LEU N . 52665 1 208 . 1 . 1 53 53 CYS H H 1 7.901 0.004 . . . . . . . 53 CYS H . 52665 1 209 . 1 . 1 53 53 CYS C C 13 173.642 0.020 . . . . . . . 53 CYS CO . 52665 1 210 . 1 . 1 53 53 CYS CA C 13 60.986 0.024 . . . . . . . 53 CYS CA . 52665 1 211 . 1 . 1 53 53 CYS CB C 13 24.205 0.000 . . . . . . . 53 CYS CB . 52665 1 212 . 1 . 1 53 53 CYS N N 15 120.057 0.018 . . . . . . . 53 CYS N . 52665 1 213 . 1 . 1 54 54 THR H H 1 8.006 0.070 . . . . . . . 54 THR H . 52665 1 214 . 1 . 1 54 54 THR C C 13 175.350 0.004 . . . . . . . 54 THR CO . 52665 1 215 . 1 . 1 54 54 THR CA C 13 60.678 0.077 . . . . . . . 54 THR CA . 52665 1 216 . 1 . 1 54 54 THR CB C 13 66.421 0.008 . . . . . . . 54 THR CB . 52665 1 217 . 1 . 1 54 54 THR N N 15 107.244 0.330 . . . . . . . 54 THR N . 52665 1 218 . 1 . 1 55 55 GLY H H 1 7.796 0.002 . . . . . . . 55 GLY H . 52665 1 219 . 1 . 1 55 55 GLY C C 13 175.183 0.054 . . . . . . . 55 GLY CO . 52665 1 220 . 1 . 1 55 55 GLY CA C 13 42.893 0.131 . . . . . . . 55 GLY CA . 52665 1 221 . 1 . 1 55 55 GLY N N 15 108.221 0.052 . . . . . . . 55 GLY N . 52665 1 222 . 1 . 1 56 56 GLU H H 1 7.996 0.004 . . . . . . . 56 GLU H . 52665 1 223 . 1 . 1 56 56 GLU C C 13 173.780 0.008 . . . . . . . 56 GLU CO . 52665 1 224 . 1 . 1 56 56 GLU CA C 13 55.760 0.170 . . . . . . . 56 GLU CA . 52665 1 225 . 1 . 1 56 56 GLU CB C 13 27.377 0.000 . . . . . . . 56 GLU CB . 52665 1 226 . 1 . 1 56 56 GLU N N 15 118.573 0.035 . . . . . . . 56 GLU N . 52665 1 227 . 1 . 1 57 57 LYS H H 1 9.127 0.004 . . . . . . . 57 LYS H . 52665 1 228 . 1 . 1 57 57 LYS C C 13 173.937 0.027 . . . . . . . 57 LYS CO . 52665 1 229 . 1 . 1 57 57 LYS CA C 13 51.592 0.029 . . . . . . . 57 LYS CA . 52665 1 230 . 1 . 1 57 57 LYS CB C 13 27.639 0.050 . . . . . . . 57 LYS CB . 52665 1 231 . 1 . 1 57 57 LYS N N 15 118.631 0.041 . . . . . . . 57 LYS N . 52665 1 232 . 1 . 1 58 58 GLY H H 1 7.962 0.002 . . . . . . . 58 GLY H . 52665 1 233 . 1 . 1 58 58 GLY C C 13 169.924 0.004 . . . . . . . 58 GLY CO . 52665 1 234 . 1 . 1 58 58 GLY CA C 13 42.008 0.042 . . . . . . . 58 GLY CA . 52665 1 235 . 1 . 1 58 58 GLY N N 15 105.624 0.026 . . . . . . . 58 GLY N . 52665 1 236 . 1 . 1 59 59 PHE H H 1 6.407 0.002 . . . . . . . 59 PHE H . 52665 1 237 . 1 . 1 59 59 PHE C C 13 170.011 0.077 . . . . . . . 59 PHE CO . 52665 1 238 . 1 . 1 59 59 PHE CA C 13 51.371 0.070 . . . . . . . 59 PHE CA . 52665 1 239 . 1 . 1 59 59 PHE CB C 13 36.831 0.000 . . . . . . . 59 PHE CB . 52665 1 240 . 1 . 1 59 59 PHE N N 15 113.777 0.033 . . . . . . . 59 PHE N . 52665 1 241 . 1 . 1 60 60 GLY H H 1 7.686 0.002 . . . . . . . 60 GLY H . 52665 1 242 . 1 . 1 60 60 GLY C C 13 168.859 0.007 . . . . . . . 60 GLY CO . 52665 1 243 . 1 . 1 60 60 GLY CA C 13 42.996 0.137 . . . . . . . 60 GLY CA . 52665 1 244 . 1 . 1 60 60 GLY N N 15 104.643 0.019 . . . . . . . 60 GLY N . 52665 1 245 . 1 . 1 61 61 TYR H H 1 6.861 0.003 . . . . . . . 61 TYR H . 52665 1 246 . 1 . 1 61 61 TYR C C 13 175.302 0.001 . . . . . . . 61 TYR CO . 52665 1 247 . 1 . 1 61 61 TYR CA C 13 55.157 0.106 . . . . . . . 61 TYR CA . 52665 1 248 . 1 . 1 61 61 TYR CB C 13 36.094 0.000 . . . . . . . 61 TYR CB . 52665 1 249 . 1 . 1 61 61 TYR N N 15 113.262 0.023 . . . . . . . 61 TYR N . 52665 1 250 . 1 . 1 62 62 LYS H H 1 8.453 0.003 . . . . . . . 62 LYS H . 52665 1 251 . 1 . 1 62 62 LYS C C 13 174.933 0.020 . . . . . . . 62 LYS CO . 52665 1 252 . 1 . 1 62 62 LYS CA C 13 58.410 0.059 . . . . . . . 62 LYS CA . 52665 1 253 . 1 . 1 62 62 LYS CB C 13 28.889 0.009 . . . . . . . 62 LYS CB . 52665 1 254 . 1 . 1 62 62 LYS N N 15 124.490 0.020 . . . . . . . 62 LYS N . 52665 1 255 . 1 . 1 63 63 GLY H H 1 9.721 0.005 . . . . . . . 63 GLY H . 52665 1 256 . 1 . 1 63 63 GLY C C 13 171.350 0.013 . . . . . . . 63 GLY CO . 52665 1 257 . 1 . 1 63 63 GLY CA C 13 42.782 0.083 . . . . . . . 63 GLY CA . 52665 1 258 . 1 . 1 63 63 GLY N N 15 117.797 0.023 . . . . . . . 63 GLY N . 52665 1 259 . 1 . 1 64 64 SER H H 1 8.569 0.006 . . . . . . . 64 SER H . 52665 1 260 . 1 . 1 64 64 SER C C 13 169.944 0.008 . . . . . . . 64 SER CO . 52665 1 261 . 1 . 1 64 64 SER CA C 13 55.691 0.158 . . . . . . . 64 SER CA . 52665 1 262 . 1 . 1 64 64 SER CB C 13 62.109 0.000 . . . . . . . 64 SER CB . 52665 1 263 . 1 . 1 64 64 SER N N 15 116.338 0.025 . . . . . . . 64 SER N . 52665 1 264 . 1 . 1 65 65 THR H H 1 9.593 0.003 . . . . . . . 65 THR H . 52665 1 265 . 1 . 1 65 65 THR C C 13 175.459 0.029 . . . . . . . 65 THR CO . 52665 1 266 . 1 . 1 65 65 THR CA C 13 58.773 0.014 . . . . . . . 65 THR CA . 52665 1 267 . 1 . 1 65 65 THR N N 15 107.194 0.030 . . . . . . . 65 THR N . 52665 1 268 . 1 . 1 66 66 PHE H H 1 8.446 0.003 . . . . . . . 66 PHE H . 52665 1 269 . 1 . 1 66 66 PHE C C 13 172.270 0.018 . . . . . . . 66 PHE CO . 52665 1 270 . 1 . 1 66 66 PHE CA C 13 54.681 0.090 . . . . . . . 66 PHE CA . 52665 1 271 . 1 . 1 66 66 PHE CB C 13 36.372 0.000 . . . . . . . 66 PHE CB . 52665 1 272 . 1 . 1 66 66 PHE N N 15 120.860 0.110 . . . . . . . 66 PHE N . 52665 1 273 . 1 . 1 67 67 HIS H H 1 7.430 0.006 . . . . . . . 67 HIS H . 52665 1 274 . 1 . 1 67 67 HIS C C 13 172.557 0.000 . . . . . . . 67 HIS CO . 52665 1 275 . 1 . 1 67 67 HIS CA C 13 54.351 0.068 . . . . . . . 67 HIS CA . 52665 1 276 . 1 . 1 67 67 HIS N N 15 119.738 0.030 . . . . . . . 67 HIS N . 52665 1 277 . 1 . 1 68 68 ARG H H 1 6.802 0.003 . . . . . . . 68 ARG H . 52665 1 278 . 1 . 1 68 68 ARG C C 13 170.175 0.006 . . . . . . . 68 ARG CO . 52665 1 279 . 1 . 1 68 68 ARG CA C 13 52.192 0.052 . . . . . . . 68 ARG CA . 52665 1 280 . 1 . 1 68 68 ARG CB C 13 29.830 0.091 . . . . . . . 68 ARG CB . 52665 1 281 . 1 . 1 68 68 ARG N N 15 123.906 0.041 . . . . . . . 68 ARG N . 52665 1 282 . 1 . 1 69 69 VAL H H 1 9.352 0.002 . . . . . . . 69 VAL H . 52665 1 283 . 1 . 1 69 69 VAL C C 13 170.556 0.071 . . . . . . . 69 VAL CO . 52665 1 284 . 1 . 1 69 69 VAL CA C 13 59.156 0.128 . . . . . . . 69 VAL CA . 52665 1 285 . 1 . 1 69 69 VAL CB C 13 32.515 0.009 . . . . . . . 69 VAL CB . 52665 1 286 . 1 . 1 69 69 VAL N N 15 128.747 0.037 . . . . . . . 69 VAL N . 52665 1 287 . 1 . 1 70 70 ILE H H 1 8.607 0.003 . . . . . . . 70 ILE H . 52665 1 288 . 1 . 1 70 70 ILE C C 13 171.027 0.000 . . . . . . . 70 ILE CO . 52665 1 289 . 1 . 1 70 70 ILE CA C 13 54.731 0.004 . . . . . . . 70 ILE CA . 52665 1 290 . 1 . 1 70 70 ILE CB C 13 38.017 0.000 . . . . . . . 70 ILE CB . 52665 1 291 . 1 . 1 70 70 ILE N N 15 127.657 0.053 . . . . . . . 70 ILE N . 52665 1 292 . 1 . 1 71 71 PRO C C 13 173.805 0.005 . . . . . . . 71 PRO CO . 52665 1 293 . 1 . 1 71 71 PRO CA C 13 60.211 0.063 . . . . . . . 71 PRO CA . 52665 1 294 . 1 . 1 71 71 PRO CB C 13 29.613 0.000 . . . . . . . 71 PRO CB . 52665 1 295 . 1 . 1 72 72 SER H H 1 9.672 0.002 . . . . . . . 72 SER H . 52665 1 296 . 1 . 1 72 72 SER C C 13 169.518 0.000 . . . . . . . 72 SER CO . 52665 1 297 . 1 . 1 72 72 SER CA C 13 56.327 0.016 . . . . . . . 72 SER CA . 52665 1 298 . 1 . 1 72 72 SER CB C 13 58.877 0.045 . . . . . . . 72 SER CB . 52665 1 299 . 1 . 1 72 72 SER N N 15 115.049 0.016 . . . . . . . 72 SER N . 52665 1 300 . 1 . 1 73 73 PHE H H 1 7.583 0.002 . . . . . . . 73 PHE H . 52665 1 301 . 1 . 1 73 73 PHE C C 13 170.769 0.002 . . . . . . . 73 PHE CO . 52665 1 302 . 1 . 1 73 73 PHE CA C 13 54.551 0.069 . . . . . . . 73 PHE CA . 52665 1 303 . 1 . 1 73 73 PHE CB C 13 35.684 0.000 . . . . . . . 73 PHE CB . 52665 1 304 . 1 . 1 73 73 PHE N N 15 114.687 0.026 . . . . . . . 73 PHE N . 52665 1 305 . 1 . 1 74 74 MET H H 1 8.142 0.002 . . . . . . . 74 MET H . 52665 1 306 . 1 . 1 74 74 MET C C 13 170.642 0.013 . . . . . . . 74 MET CO . 52665 1 307 . 1 . 1 74 74 MET CA C 13 52.148 0.083 . . . . . . . 74 MET CA . 52665 1 308 . 1 . 1 74 74 MET CB C 13 32.459 0.096 . . . . . . . 74 MET CB . 52665 1 309 . 1 . 1 74 74 MET N N 15 112.169 0.027 . . . . . . . 74 MET N . 52665 1 310 . 1 . 1 75 75 CYS H H 1 8.462 0.004 . . . . . . . 75 CYS H . 52665 1 311 . 1 . 1 75 75 CYS C C 13 169.829 0.000 . . . . . . . 75 CYS CO . 52665 1 312 . 1 . 1 75 75 CYS CA C 13 54.064 0.127 . . . . . . . 75 CYS CA . 52665 1 313 . 1 . 1 75 75 CYS CB C 13 27.388 0.000 . . . . . . . 75 CYS CB . 52665 1 314 . 1 . 1 75 75 CYS N N 15 115.482 0.021 . . . . . . . 75 CYS N . 52665 1 315 . 1 . 1 76 76 GLN H H 1 9.448 0.002 . . . . . . . 76 GLN H . 52665 1 316 . 1 . 1 76 76 GLN C C 13 170.017 0.080 . . . . . . . 76 GLN CO . 52665 1 317 . 1 . 1 76 76 GLN CA C 13 52.245 0.023 . . . . . . . 76 GLN CA . 52665 1 318 . 1 . 1 76 76 GLN CB C 13 28.016 0.000 . . . . . . . 76 GLN CB . 52665 1 319 . 1 . 1 76 76 GLN N N 15 127.708 0.027 . . . . . . . 76 GLN N . 52665 1 320 . 1 . 1 77 77 ALA H H 1 7.998 0.002 . . . . . . . 77 ALA H . 52665 1 321 . 1 . 1 77 77 ALA C C 13 174.161 0.000 . . . . . . . 77 ALA CO . 52665 1 322 . 1 . 1 77 77 ALA CA C 13 47.474 0.026 . . . . . . . 77 ALA CA . 52665 1 323 . 1 . 1 77 77 ALA CB C 13 19.793 0.000 . . . . . . . 77 ALA CB . 52665 1 324 . 1 . 1 77 77 ALA N N 15 126.169 0.027 . . . . . . . 77 ALA N . 52665 1 325 . 1 . 1 78 78 GLY C C 13 172.734 0.000 . . . . . . . 78 GLY CO . 52665 1 326 . 1 . 1 78 78 GLY CA C 13 44.386 0.043 . . . . . . . 78 GLY CA . 52665 1 327 . 1 . 1 79 79 ASP H H 1 10.073 0.006 . . . . . . . 79 ASP H . 52665 1 328 . 1 . 1 79 79 ASP CA C 13 48.760 0.000 . . . . . . . 79 ASP CA . 52665 1 329 . 1 . 1 79 79 ASP N N 15 124.521 0.023 . . . . . . . 79 ASP N . 52665 1 330 . 1 . 1 80 80 PHE H H 1 6.614 0.004 . . . . . . . 80 PHE H . 52665 1 331 . 1 . 1 80 80 PHE C C 13 171.444 0.000 . . . . . . . 80 PHE CO . 52665 1 332 . 1 . 1 80 80 PHE CA C 13 53.490 0.029 . . . . . . . 80 PHE CA . 52665 1 333 . 1 . 1 80 80 PHE N N 15 115.673 0.078 . . . . . . . 80 PHE N . 52665 1 334 . 1 . 1 81 81 THR H H 1 7.335 0.004 . . . . . . . 81 THR H . 52665 1 335 . 1 . 1 81 81 THR C C 13 171.640 0.000 . . . . . . . 81 THR CO . 52665 1 336 . 1 . 1 81 81 THR CA C 13 59.364 0.033 . . . . . . . 81 THR CA . 52665 1 337 . 1 . 1 81 81 THR N N 15 109.778 0.052 . . . . . . . 81 THR N . 52665 1 338 . 1 . 1 82 82 ASN H H 1 8.654 0.001 . . . . . . . 82 ASN H . 52665 1 339 . 1 . 1 82 82 ASN C C 13 172.723 0.000 . . . . . . . 82 ASN CO . 52665 1 340 . 1 . 1 82 82 ASN CA C 13 50.217 0.061 . . . . . . . 82 ASN CA . 52665 1 341 . 1 . 1 82 82 ASN CB C 13 36.623 0.000 . . . . . . . 82 ASN CB . 52665 1 342 . 1 . 1 82 82 ASN N N 15 120.533 0.030 . . . . . . . 82 ASN N . 52665 1 343 . 1 . 1 83 83 HIS C C 13 172.477 0.771 . . . . . . . 83 HIS CO . 52665 1 344 . 1 . 1 83 83 HIS CA C 13 54.762 0.025 . . . . . . . 83 HIS CA . 52665 1 345 . 1 . 1 84 84 ASN H H 1 7.604 0.004 . . . . . . . 84 ASN H . 52665 1 346 . 1 . 1 84 84 ASN C C 13 173.267 0.000 . . . . . . . 84 ASN CO . 52665 1 347 . 1 . 1 84 84 ASN CA C 13 49.865 0.083 . . . . . . . 84 ASN CA . 52665 1 348 . 1 . 1 84 84 ASN CB C 13 36.151 0.000 . . . . . . . 84 ASN CB . 52665 1 349 . 1 . 1 84 84 ASN N N 15 112.553 0.029 . . . . . . . 84 ASN N . 52665 1 350 . 1 . 1 85 85 GLY H H 1 9.717 0.005 . . . . . . . 85 GLY H . 52665 1 351 . 1 . 1 85 85 GLY C C 13 173.313 0.000 . . . . . . . 85 GLY CO . 52665 1 352 . 1 . 1 85 85 GLY CA C 13 42.488 0.036 . . . . . . . 85 GLY CA . 52665 1 353 . 1 . 1 85 85 GLY N N 15 110.726 0.023 . . . . . . . 85 GLY N . 52665 1 354 . 1 . 1 86 86 THR H H 1 8.006 0.002 . . . . . . . 86 THR H . 52665 1 355 . 1 . 1 86 86 THR C C 13 173.630 0.010 . . . . . . . 86 THR CO . 52665 1 356 . 1 . 1 86 86 THR CA C 13 60.006 0.078 . . . . . . . 86 THR CA . 52665 1 357 . 1 . 1 86 86 THR CB C 13 68.267 0.000 . . . . . . . 86 THR CB . 52665 1 358 . 1 . 1 86 86 THR N N 15 112.511 0.016 . . . . . . . 86 THR N . 52665 1 359 . 1 . 1 87 87 GLY H H 1 8.609 0.002 . . . . . . . 87 GLY H . 52665 1 360 . 1 . 1 87 87 GLY C C 13 172.645 0.002 . . . . . . . 87 GLY CO . 52665 1 361 . 1 . 1 87 87 GLY CA C 13 42.792 0.099 . . . . . . . 87 GLY CA . 52665 1 362 . 1 . 1 87 87 GLY N N 15 113.334 0.021 . . . . . . . 87 GLY N . 52665 1 363 . 1 . 1 88 88 GLY H H 1 8.118 0.162 . . . . . . . 88 GLY H . 52665 1 364 . 1 . 1 88 88 GLY C C 13 169.442 0.004 . . . . . . . 88 GLY CO . 52665 1 365 . 1 . 1 88 88 GLY CA C 13 40.519 0.024 . . . . . . . 88 GLY CA . 52665 1 366 . 1 . 1 88 88 GLY N N 15 109.704 1.205 . . . . . . . 88 GLY N . 52665 1 367 . 1 . 1 89 89 LYS H H 1 7.027 0.002 . . . . . . . 89 LYS H . 52665 1 368 . 1 . 1 89 89 LYS C C 13 169.666 0.005 . . . . . . . 89 LYS CO . 52665 1 369 . 1 . 1 89 89 LYS CA C 13 53.383 0.042 . . . . . . . 89 LYS CA . 52665 1 370 . 1 . 1 89 89 LYS CB C 13 31.826 0.042 . . . . . . . 89 LYS CB . 52665 1 371 . 1 . 1 89 89 LYS N N 15 115.687 0.015 . . . . . . . 89 LYS N . 52665 1 372 . 1 . 1 90 90 SER H H 1 7.781 0.003 . . . . . . . 90 SER H . 52665 1 373 . 1 . 1 90 90 SER C C 13 173.124 0.016 . . . . . . . 90 SER CO . 52665 1 374 . 1 . 1 90 90 SER CA C 13 54.102 0.120 . . . . . . . 90 SER CA . 52665 1 375 . 1 . 1 90 90 SER CB C 13 66.873 0.021 . . . . . . . 90 SER CB . 52665 1 376 . 1 . 1 90 90 SER N N 15 114.512 0.033 . . . . . . . 90 SER N . 52665 1 377 . 1 . 1 91 91 ILE H H 1 8.637 0.002 . . . . . . . 91 ILE H . 52665 1 378 . 1 . 1 91 91 ILE C C 13 173.487 0.008 . . . . . . . 91 ILE CO . 52665 1 379 . 1 . 1 91 91 ILE CA C 13 61.085 0.087 . . . . . . . 91 ILE CA . 52665 1 380 . 1 . 1 91 91 ILE CB C 13 34.600 0.000 . . . . . . . 91 ILE CB . 52665 1 381 . 1 . 1 91 91 ILE N N 15 111.763 0.030 . . . . . . . 91 ILE N . 52665 1 382 . 1 . 1 92 92 TYR H H 1 8.081 0.002 . . . . . . . 92 TYR H . 52665 1 383 . 1 . 1 92 92 TYR C C 13 172.722 0.036 . . . . . . . 92 TYR CO . 52665 1 384 . 1 . 1 92 92 TYR CA C 13 53.625 0.068 . . . . . . . 92 TYR CA . 52665 1 385 . 1 . 1 92 92 TYR CB C 13 36.255 0.000 . . . . . . . 92 TYR CB . 52665 1 386 . 1 . 1 92 92 TYR N N 15 120.597 0.020 . . . . . . . 92 TYR N . 52665 1 387 . 1 . 1 93 93 GLY H H 1 7.156 0.003 . . . . . . . 93 GLY H . 52665 1 388 . 1 . 1 93 93 GLY C C 13 171.994 0.000 . . . . . . . 93 GLY CO . 52665 1 389 . 1 . 1 93 93 GLY CA C 13 41.236 0.094 . . . . . . . 93 GLY CA . 52665 1 390 . 1 . 1 93 93 GLY N N 15 106.575 0.028 . . . . . . . 93 GLY N . 52665 1 391 . 1 . 1 94 94 SER C C 13 171.745 0.000 . . . . . . . 94 SER CO . 52665 1 392 . 1 . 1 94 94 SER CA C 13 59.776 0.041 . . . . . . . 94 SER CA . 52665 1 393 . 1 . 1 95 95 ARG H H 1 7.878 0.006 . . . . . . . 95 ARG H . 52665 1 394 . 1 . 1 95 95 ARG C C 13 172.612 0.011 . . . . . . . 95 ARG CO . 52665 1 395 . 1 . 1 95 95 ARG CA C 13 50.916 0.098 . . . . . . . 95 ARG CA . 52665 1 396 . 1 . 1 95 95 ARG CB C 13 31.548 0.092 . . . . . . . 95 ARG CB . 52665 1 397 . 1 . 1 95 95 ARG N N 15 115.651 0.033 . . . . . . . 95 ARG N . 52665 1 398 . 1 . 1 96 96 PHE H H 1 9.144 0.003 . . . . . . . 96 PHE H . 52665 1 399 . 1 . 1 96 96 PHE C C 13 170.067 0.000 . . . . . . . 96 PHE CO . 52665 1 400 . 1 . 1 96 96 PHE CA C 13 52.370 0.008 . . . . . . . 96 PHE CA . 52665 1 401 . 1 . 1 96 96 PHE CB C 13 36.744 0.000 . . . . . . . 96 PHE CB . 52665 1 402 . 1 . 1 96 96 PHE N N 15 118.058 0.029 . . . . . . . 96 PHE N . 52665 1 403 . 1 . 1 97 97 PRO C C 13 174.459 0.024 . . . . . . . 97 PRO CO . 52665 1 404 . 1 . 1 97 97 PRO CA C 13 59.992 0.093 . . . . . . . 97 PRO CA . 52665 1 405 . 1 . 1 97 97 PRO CB C 13 30.109 0.000 . . . . . . . 97 PRO CB . 52665 1 406 . 1 . 1 98 98 ASP H H 1 8.770 0.002 . . . . . . . 98 ASP H . 52665 1 407 . 1 . 1 98 98 ASP C C 13 173.855 0.009 . . . . . . . 98 ASP CO . 52665 1 408 . 1 . 1 98 98 ASP CA C 13 52.161 0.068 . . . . . . . 98 ASP CA . 52665 1 409 . 1 . 1 98 98 ASP CB C 13 38.194 0.036 . . . . . . . 98 ASP CB . 52665 1 410 . 1 . 1 98 98 ASP N N 15 119.844 0.022 . . . . . . . 98 ASP N . 52665 1 411 . 1 . 1 99 99 GLU H H 1 9.327 0.002 . . . . . . . 99 GLU H . 52665 1 412 . 1 . 1 99 99 GLU C C 13 173.687 0.024 . . . . . . . 99 GLU CO . 52665 1 413 . 1 . 1 99 99 GLU CA C 13 57.614 0.109 . . . . . . . 99 GLU CA . 52665 1 414 . 1 . 1 99 99 GLU CB C 13 28.838 0.126 . . . . . . . 99 GLU CB . 52665 1 415 . 1 . 1 99 99 GLU N N 15 131.983 0.033 . . . . . . . 99 GLU N . 52665 1 416 . 1 . 1 100 100 ASN H H 1 7.042 0.002 . . . . . . . 100 ASN H . 52665 1 417 . 1 . 1 100 100 ASN C C 13 168.391 0.007 . . . . . . . 100 ASN CO . 52665 1 418 . 1 . 1 100 100 ASN CA C 13 50.243 0.035 . . . . . . . 100 ASN CA . 52665 1 419 . 1 . 1 100 100 ASN CB C 13 36.803 0.018 . . . . . . . 100 ASN CB . 52665 1 420 . 1 . 1 100 100 ASN N N 15 107.009 0.037 . . . . . . . 100 ASN N . 52665 1 421 . 1 . 1 101 101 PHE H H 1 8.310 0.002 . . . . . . . 101 PHE H . 52665 1 422 . 1 . 1 101 101 PHE C C 13 174.923 0.015 . . . . . . . 101 PHE CO . 52665 1 423 . 1 . 1 101 101 PHE CA C 13 53.461 0.086 . . . . . . . 101 PHE CA . 52665 1 424 . 1 . 1 101 101 PHE CB C 13 35.710 0.008 . . . . . . . 101 PHE CB . 52665 1 425 . 1 . 1 101 101 PHE N N 15 113.185 0.018 . . . . . . . 101 PHE N . 52665 1 426 . 1 . 1 102 102 THR H H 1 8.557 0.002 . . . . . . . 102 THR H . 52665 1 427 . 1 . 1 102 102 THR C C 13 173.382 0.005 . . . . . . . 102 THR CO . 52665 1 428 . 1 . 1 102 102 THR CA C 13 64.207 0.012 . . . . . . . 102 THR CA . 52665 1 429 . 1 . 1 102 102 THR CB C 13 66.307 0.000 . . . . . . . 102 THR CB . 52665 1 430 . 1 . 1 102 102 THR N N 15 118.191 0.053 . . . . . . . 102 THR N . 52665 1 431 . 1 . 1 103 103 LEU H H 1 8.141 0.002 . . . . . . . 103 LEU H . 52665 1 432 . 1 . 1 103 103 LEU C C 13 173.600 0.066 . . . . . . . 103 LEU CO . 52665 1 433 . 1 . 1 103 103 LEU CA C 13 51.911 0.052 . . . . . . . 103 LEU CA . 52665 1 434 . 1 . 1 103 103 LEU CB C 13 38.118 0.085 . . . . . . . 103 LEU CB . 52665 1 435 . 1 . 1 103 103 LEU N N 15 118.879 0.045 . . . . . . . 103 LEU N . 52665 1 436 . 1 . 1 104 104 LYS H H 1 8.301 0.003 . . . . . . . 104 LYS H . 52665 1 437 . 1 . 1 104 104 LYS C C 13 174.463 0.022 . . . . . . . 104 LYS CO . 52665 1 438 . 1 . 1 104 104 LYS CA C 13 51.477 0.076 . . . . . . . 104 LYS CA . 52665 1 439 . 1 . 1 104 104 LYS CB C 13 31.659 0.006 . . . . . . . 104 LYS CB . 52665 1 440 . 1 . 1 104 104 LYS N N 15 118.595 0.029 . . . . . . . 104 LYS N . 52665 1 441 . 1 . 1 105 105 HIS H H 1 10.881 0.004 . . . . . . . 105 HIS H . 52665 1 442 . 1 . 1 105 105 HIS C C 13 175.066 0.059 . . . . . . . 105 HIS CO . 52665 1 443 . 1 . 1 105 105 HIS CA C 13 54.168 0.130 . . . . . . . 105 HIS CA . 52665 1 444 . 1 . 1 105 105 HIS CB C 13 23.271 0.031 . . . . . . . 105 HIS CB . 52665 1 445 . 1 . 1 105 105 HIS N N 15 123.484 0.031 . . . . . . . 105 HIS N . 52665 1 446 . 1 . 1 106 106 VAL H H 1 7.047 0.002 . . . . . . . 106 VAL H . 52665 1 447 . 1 . 1 106 106 VAL C C 13 173.926 0.010 . . . . . . . 106 VAL CO . 52665 1 448 . 1 . 1 106 106 VAL CA C 13 60.752 0.101 . . . . . . . 106 VAL CA . 52665 1 449 . 1 . 1 106 106 VAL CB C 13 30.034 0.000 . . . . . . . 106 VAL CB . 52665 1 450 . 1 . 1 106 106 VAL N N 15 113.913 0.024 . . . . . . . 106 VAL N . 52665 1 451 . 1 . 1 107 107 GLY H H 1 7.315 0.002 . . . . . . . 107 GLY H . 52665 1 452 . 1 . 1 107 107 GLY C C 13 166.579 0.000 . . . . . . . 107 GLY CO . 52665 1 453 . 1 . 1 107 107 GLY CA C 13 42.883 0.108 . . . . . . . 107 GLY CA . 52665 1 454 . 1 . 1 107 107 GLY N N 15 105.677 0.014 . . . . . . . 107 GLY N . 52665 1 455 . 1 . 1 108 108 PRO C C 13 174.351 0.001 . . . . . . . 108 PRO CO . 52665 1 456 . 1 . 1 108 108 PRO CA C 13 59.948 0.100 . . . . . . . 108 PRO CA . 52665 1 457 . 1 . 1 108 108 PRO CB C 13 29.385 0.000 . . . . . . . 108 PRO CB . 52665 1 458 . 1 . 1 109 109 GLY H H 1 9.030 0.004 . . . . . . . 109 GLY H . 52665 1 459 . 1 . 1 109 109 GLY C C 13 170.147 0.008 . . . . . . . 109 GLY CO . 52665 1 460 . 1 . 1 109 109 GLY CA C 13 42.306 0.016 . . . . . . . 109 GLY CA . 52665 1 461 . 1 . 1 109 109 GLY N N 15 109.905 0.042 . . . . . . . 109 GLY N . 52665 1 462 . 1 . 1 110 110 VAL H H 1 6.662 0.002 . . . . . . . 110 VAL H . 52665 1 463 . 1 . 1 110 110 VAL C C 13 169.803 0.004 . . . . . . . 110 VAL CO . 52665 1 464 . 1 . 1 110 110 VAL CA C 13 61.823 0.049 . . . . . . . 110 VAL CA . 52665 1 465 . 1 . 1 110 110 VAL CB C 13 30.962 0.024 . . . . . . . 110 VAL CB . 52665 1 466 . 1 . 1 110 110 VAL N N 15 119.598 0.013 . . . . . . . 110 VAL N . 52665 1 467 . 1 . 1 111 111 LEU H H 1 7.386 0.003 . . . . . . . 111 LEU H . 52665 1 468 . 1 . 1 111 111 LEU C C 13 170.640 0.057 . . . . . . . 111 LEU CO . 52665 1 469 . 1 . 1 111 111 LEU CA C 13 50.522 0.021 . . . . . . . 111 LEU CA . 52665 1 470 . 1 . 1 111 111 LEU CB C 13 41.395 0.000 . . . . . . . 111 LEU CB . 52665 1 471 . 1 . 1 111 111 LEU N N 15 129.756 0.028 . . . . . . . 111 LEU N . 52665 1 472 . 1 . 1 112 112 SER H H 1 8.301 0.002 . . . . . . . 112 SER H . 52665 1 473 . 1 . 1 112 112 SER C C 13 171.493 0.107 . . . . . . . 112 SER CO . 52665 1 474 . 1 . 1 112 112 SER CA C 13 52.707 0.019 . . . . . . . 112 SER CA . 52665 1 475 . 1 . 1 112 112 SER CB C 13 62.243 0.007 . . . . . . . 112 SER CB . 52665 1 476 . 1 . 1 112 112 SER N N 15 121.009 0.021 . . . . . . . 112 SER N . 52665 1 477 . 1 . 1 113 113 MET H H 1 8.565 0.003 . . . . . . . 113 MET H . 52665 1 478 . 1 . 1 113 113 MET C C 13 175.816 0.014 . . . . . . . 113 MET CO . 52665 1 479 . 1 . 1 113 113 MET CA C 13 50.905 0.113 . . . . . . . 113 MET CA . 52665 1 480 . 1 . 1 113 113 MET CB C 13 28.423 0.000 . . . . . . . 113 MET CB . 52665 1 481 . 1 . 1 113 113 MET N N 15 123.333 0.024 . . . . . . . 113 MET N . 52665 1 482 . 1 . 1 114 114 ALA H H 1 8.222 0.003 . . . . . . . 114 ALA H . 52665 1 483 . 1 . 1 114 114 ALA C C 13 172.996 0.012 . . . . . . . 114 ALA CO . 52665 1 484 . 1 . 1 114 114 ALA CA C 13 49.176 0.054 . . . . . . . 114 ALA CA . 52665 1 485 . 1 . 1 114 114 ALA CB C 13 17.246 0.000 . . . . . . . 114 ALA CB . 52665 1 486 . 1 . 1 114 114 ALA N N 15 115.651 33.971 . . . . . . . 114 ALA N . 52665 1 487 . 1 . 1 115 115 ASN H H 1 8.418 0.002 . . . . . . . 115 ASN H . 52665 1 488 . 1 . 1 115 115 ASN C C 13 171.133 0.011 . . . . . . . 115 ASN CO . 52665 1 489 . 1 . 1 115 115 ASN CA C 13 51.446 0.074 . . . . . . . 115 ASN CA . 52665 1 490 . 1 . 1 115 115 ASN CB C 13 37.744 0.056 . . . . . . . 115 ASN CB . 52665 1 491 . 1 . 1 115 115 ASN N N 15 113.729 0.019 . . . . . . . 115 ASN N . 52665 1 492 . 1 . 1 116 116 ALA H H 1 8.859 0.004 . . . . . . . 116 ALA H . 52665 1 493 . 1 . 1 116 116 ALA C C 13 174.231 0.026 . . . . . . . 116 ALA CO . 52665 1 494 . 1 . 1 116 116 ALA CA C 13 47.595 0.116 . . . . . . . 116 ALA CA . 52665 1 495 . 1 . 1 116 116 ALA CB C 13 16.647 0.051 . . . . . . . 116 ALA CB . 52665 1 496 . 1 . 1 116 116 ALA N N 15 123.335 0.032 . . . . . . . 116 ALA N . 52665 1 497 . 1 . 1 117 117 GLY H H 1 8.193 0.003 . . . . . . . 117 GLY H . 52665 1 498 . 1 . 1 117 117 GLY C C 13 169.529 0.000 . . . . . . . 117 GLY CO . 52665 1 499 . 1 . 1 117 117 GLY CA C 13 40.856 0.023 . . . . . . . 117 GLY CA . 52665 1 500 . 1 . 1 117 117 GLY N N 15 109.319 0.023 . . . . . . . 117 GLY N . 52665 1 501 . 1 . 1 118 118 PRO C C 13 173.564 0.009 . . . . . . . 118 PRO CO . 52665 1 502 . 1 . 1 118 118 PRO CA C 13 61.413 0.106 . . . . . . . 118 PRO CA . 52665 1 503 . 1 . 1 118 118 PRO CB C 13 29.415 0.000 . . . . . . . 118 PRO CB . 52665 1 504 . 1 . 1 119 119 ASN H H 1 8.974 0.002 . . . . . . . 119 ASN H . 52665 1 505 . 1 . 1 119 119 ASN C C 13 172.312 0.017 . . . . . . . 119 ASN CO . 52665 1 506 . 1 . 1 119 119 ASN CA C 13 51.867 0.068 . . . . . . . 119 ASN CA . 52665 1 507 . 1 . 1 119 119 ASN CB C 13 34.392 0.041 . . . . . . . 119 ASN CB . 52665 1 508 . 1 . 1 119 119 ASN N N 15 118.825 0.030 . . . . . . . 119 ASN N . 52665 1 509 . 1 . 1 120 120 THR H H 1 10.363 0.003 . . . . . . . 120 THR H . 52665 1 510 . 1 . 1 120 120 THR C C 13 170.863 0.010 . . . . . . . 120 THR CO . 52665 1 511 . 1 . 1 120 120 THR CA C 13 57.639 0.084 . . . . . . . 120 THR CA . 52665 1 512 . 1 . 1 120 120 THR CB C 13 66.200 0.088 . . . . . . . 120 THR CB . 52665 1 513 . 1 . 1 120 120 THR N N 15 110.629 0.017 . . . . . . . 120 THR N . 52665 1 514 . 1 . 1 121 121 ASN H H 1 7.124 0.002 . . . . . . . 121 ASN H . 52665 1 515 . 1 . 1 121 121 ASN C C 13 171.636 0.009 . . . . . . . 121 ASN CO . 52665 1 516 . 1 . 1 121 121 ASN CA C 13 52.996 0.100 . . . . . . . 121 ASN CA . 52665 1 517 . 1 . 1 121 121 ASN CB C 13 37.014 0.059 . . . . . . . 121 ASN CB . 52665 1 518 . 1 . 1 121 121 ASN N N 15 120.209 0.017 . . . . . . . 121 ASN N . 52665 1 519 . 1 . 1 122 122 GLY H H 1 9.188 0.003 . . . . . . . 122 GLY H . 52665 1 520 . 1 . 1 122 122 GLY C C 13 168.265 0.025 . . . . . . . 122 GLY CO . 52665 1 521 . 1 . 1 122 122 GLY CA C 13 43.169 0.136 . . . . . . . 122 GLY CA . 52665 1 522 . 1 . 1 122 122 GLY N N 15 110.970 0.039 . . . . . . . 122 GLY N . 52665 1 523 . 1 . 1 123 123 SER H H 1 8.894 0.003 . . . . . . . 123 SER H . 52665 1 524 . 1 . 1 123 123 SER C C 13 173.573 0.016 . . . . . . . 123 SER CO . 52665 1 525 . 1 . 1 123 123 SER CA C 13 55.052 0.095 . . . . . . . 123 SER CA . 52665 1 526 . 1 . 1 123 123 SER CB C 13 63.493 0.000 . . . . . . . 123 SER CB . 52665 1 527 . 1 . 1 123 123 SER N N 15 117.229 0.049 . . . . . . . 123 SER N . 52665 1 528 . 1 . 1 124 124 GLN H H 1 8.488 0.004 . . . . . . . 124 GLN H . 52665 1 529 . 1 . 1 124 124 GLN C C 13 172.555 0.013 . . . . . . . 124 GLN CO . 52665 1 530 . 1 . 1 124 124 GLN CA C 13 55.157 0.013 . . . . . . . 124 GLN CA . 52665 1 531 . 1 . 1 124 124 GLN CB C 13 29.315 0.000 . . . . . . . 124 GLN CB . 52665 1 532 . 1 . 1 124 124 GLN N N 15 124.763 0.032 . . . . . . . 124 GLN N . 52665 1 533 . 1 . 1 125 125 PHE H H 1 8.808 0.003 . . . . . . . 125 PHE H . 52665 1 534 . 1 . 1 125 125 PHE C C 13 168.907 0.008 . . . . . . . 125 PHE CO . 52665 1 535 . 1 . 1 125 125 PHE CA C 13 52.631 0.152 . . . . . . . 125 PHE CA . 52665 1 536 . 1 . 1 125 125 PHE CB C 13 40.445 0.000 . . . . . . . 125 PHE CB . 52665 1 537 . 1 . 1 125 125 PHE N N 15 118.954 0.034 . . . . . . . 125 PHE N . 52665 1 538 . 1 . 1 126 126 PHE H H 1 9.733 0.004 . . . . . . . 126 PHE H . 52665 1 539 . 1 . 1 126 126 PHE C C 13 170.678 0.027 . . . . . . . 126 PHE CO . 52665 1 540 . 1 . 1 126 126 PHE CA C 13 52.246 0.026 . . . . . . . 126 PHE CA . 52665 1 541 . 1 . 1 126 126 PHE CB C 13 41.150 0.046 . . . . . . . 126 PHE CB . 52665 1 542 . 1 . 1 126 126 PHE N N 15 115.225 0.019 . . . . . . . 126 PHE N . 52665 1 543 . 1 . 1 127 127 ILE H H 1 8.776 0.003 . . . . . . . 127 ILE H . 52665 1 544 . 1 . 1 127 127 ILE C C 13 174.739 0.003 . . . . . . . 127 ILE CO . 52665 1 545 . 1 . 1 127 127 ILE CA C 13 56.712 0.060 . . . . . . . 127 ILE CA . 52665 1 546 . 1 . 1 127 127 ILE CB C 13 38.054 0.121 . . . . . . . 127 ILE CB . 52665 1 547 . 1 . 1 127 127 ILE N N 15 117.482 0.048 . . . . . . . 127 ILE N . 52665 1 548 . 1 . 1 128 128 CYS H H 1 9.130 0.002 . . . . . . . 128 CYS H . 52665 1 549 . 1 . 1 128 128 CYS C C 13 173.935 0.006 . . . . . . . 128 CYS CO . 52665 1 550 . 1 . 1 128 128 CYS CA C 13 57.674 0.100 . . . . . . . 128 CYS CA . 52665 1 551 . 1 . 1 128 128 CYS CB C 13 26.571 0.035 . . . . . . . 128 CYS CB . 52665 1 552 . 1 . 1 128 128 CYS N N 15 125.644 0.010 . . . . . . . 128 CYS N . 52665 1 553 . 1 . 1 129 129 THR H H 1 8.896 0.073 . . . . . . . 129 THR H . 52665 1 554 . 1 . 1 129 129 THR C C 13 169.988 0.013 . . . . . . . 129 THR CO . 52665 1 555 . 1 . 1 129 129 THR CA C 13 58.499 0.028 . . . . . . . 129 THR CA . 52665 1 556 . 1 . 1 129 129 THR CB C 13 64.964 0.099 . . . . . . . 129 THR CB . 52665 1 557 . 1 . 1 129 129 THR N N 15 114.721 3.461 . . . . . . . 129 THR N . 52665 1 558 . 1 . 1 130 130 ILE H H 1 7.750 0.374 . . . . . . . 130 ILE H . 52665 1 559 . 1 . 1 130 130 ILE C C 13 170.997 0.002 . . . . . . . 130 ILE CO . 52665 1 560 . 1 . 1 130 130 ILE CA C 13 57.106 0.082 . . . . . . . 130 ILE CA . 52665 1 561 . 1 . 1 130 130 ILE CB C 13 41.422 0.053 . . . . . . . 130 ILE CB . 52665 1 562 . 1 . 1 130 130 ILE N N 15 117.698 1.373 . . . . . . . 130 ILE N . 52665 1 563 . 1 . 1 131 131 LYS H H 1 8.298 0.001 . . . . . . . 131 LYS H . 52665 1 564 . 1 . 1 131 131 LYS C C 13 172.528 0.004 . . . . . . . 131 LYS CO . 52665 1 565 . 1 . 1 131 131 LYS CA C 13 54.792 0.026 . . . . . . . 131 LYS CA . 52665 1 566 . 1 . 1 131 131 LYS CB C 13 30.311 0.027 . . . . . . . 131 LYS CB . 52665 1 567 . 1 . 1 131 131 LYS N N 15 120.999 0.046 . . . . . . . 131 LYS N . 52665 1 568 . 1 . 1 132 132 THR H H 1 7.838 0.004 . . . . . . . 132 THR H . 52665 1 569 . 1 . 1 132 132 THR C C 13 174.333 0.000 . . . . . . . 132 THR CO . 52665 1 570 . 1 . 1 132 132 THR CA C 13 54.520 0.015 . . . . . . . 132 THR CA . 52665 1 571 . 1 . 1 132 132 THR CB C 13 65.178 0.067 . . . . . . . 132 THR CB . 52665 1 572 . 1 . 1 132 132 THR N N 15 121.294 0.030 . . . . . . . 132 THR N . 52665 1 573 . 1 . 1 133 133 ASP H H 1 8.422 0.003 . . . . . . . 133 ASP H . 52665 1 574 . 1 . 1 133 133 ASP C C 13 174.505 0.011 . . . . . . . 133 ASP CO . 52665 1 575 . 1 . 1 133 133 ASP CA C 13 53.708 0.022 . . . . . . . 133 ASP CA . 52665 1 576 . 1 . 1 133 133 ASP CB C 13 36.974 0.042 . . . . . . . 133 ASP CB . 52665 1 577 . 1 . 1 133 133 ASP N N 15 121.658 0.029 . . . . . . . 133 ASP N . 52665 1 578 . 1 . 1 134 134 TRP H H 1 7.386 0.003 . . . . . . . 134 TRP H . 52665 1 579 . 1 . 1 134 134 TRP C C 13 173.599 0.047 . . . . . . . 134 TRP CO . 52665 1 580 . 1 . 1 134 134 TRP CA C 13 57.175 0.093 . . . . . . . 134 TRP CA . 52665 1 581 . 1 . 1 134 134 TRP CB C 13 24.176 0.000 . . . . . . . 134 TRP CB . 52665 1 582 . 1 . 1 134 134 TRP N N 15 118.383 0.021 . . . . . . . 134 TRP N . 52665 1 583 . 1 . 1 135 135 LEU H H 1 7.139 0.006 . . . . . . . 135 LEU H . 52665 1 584 . 1 . 1 135 135 LEU C C 13 174.707 0.039 . . . . . . . 135 LEU CO . 52665 1 585 . 1 . 1 135 135 LEU CA C 13 51.725 0.090 . . . . . . . 135 LEU CA . 52665 1 586 . 1 . 1 135 135 LEU CB C 13 36.282 0.159 . . . . . . . 135 LEU CB . 52665 1 587 . 1 . 1 135 135 LEU N N 15 120.035 0.037 . . . . . . . 135 LEU N . 52665 1 588 . 1 . 1 136 136 ASP H H 1 7.579 0.002 . . . . . . . 136 ASP H . 52665 1 589 . 1 . 1 136 136 ASP C C 13 175.642 0.019 . . . . . . . 136 ASP CO . 52665 1 590 . 1 . 1 136 136 ASP CA C 13 53.310 0.039 . . . . . . . 136 ASP CA . 52665 1 591 . 1 . 1 136 136 ASP CB C 13 36.593 0.019 . . . . . . . 136 ASP CB . 52665 1 592 . 1 . 1 136 136 ASP N N 15 122.829 0.040 . . . . . . . 136 ASP N . 52665 1 593 . 1 . 1 137 137 GLY H H 1 9.533 0.003 . . . . . . . 137 GLY H . 52665 1 594 . 1 . 1 137 137 GLY C C 13 169.647 0.031 . . . . . . . 137 GLY CO . 52665 1 595 . 1 . 1 137 137 GLY CA C 13 42.342 0.029 . . . . . . . 137 GLY CA . 52665 1 596 . 1 . 1 137 137 GLY N N 15 111.541 0.016 . . . . . . . 137 GLY N . 52665 1 597 . 1 . 1 138 138 LYS H H 1 7.891 0.005 . . . . . . . 138 LYS H . 52665 1 598 . 1 . 1 138 138 LYS C C 13 172.898 0.008 . . . . . . . 138 LYS CO . 52665 1 599 . 1 . 1 138 138 LYS CA C 13 53.779 0.040 . . . . . . . 138 LYS CA . 52665 1 600 . 1 . 1 138 138 LYS CB C 13 32.527 0.000 . . . . . . . 138 LYS CB . 52665 1 601 . 1 . 1 138 138 LYS N N 15 115.683 0.015 . . . . . . . 138 LYS N . 52665 1 602 . 1 . 1 139 139 HIS H H 1 7.544 0.003 . . . . . . . 139 HIS H . 52665 1 603 . 1 . 1 139 139 HIS C C 13 171.105 0.010 . . . . . . . 139 HIS CO . 52665 1 604 . 1 . 1 139 139 HIS CA C 13 52.254 0.052 . . . . . . . 139 HIS CA . 52665 1 605 . 1 . 1 139 139 HIS CB C 13 29.192 0.085 . . . . . . . 139 HIS CB . 52665 1 606 . 1 . 1 139 139 HIS N N 15 119.240 0.065 . . . . . . . 139 HIS N . 52665 1 607 . 1 . 1 140 140 VAL H H 1 8.577 0.002 . . . . . . . 140 VAL H . 52665 1 608 . 1 . 1 140 140 VAL C C 13 172.343 0.022 . . . . . . . 140 VAL CO . 52665 1 609 . 1 . 1 140 140 VAL CA C 13 61.110 0.017 . . . . . . . 140 VAL CA . 52665 1 610 . 1 . 1 140 140 VAL CB C 13 30.485 0.000 . . . . . . . 140 VAL CB . 52665 1 611 . 1 . 1 140 140 VAL N N 15 124.617 0.037 . . . . . . . 140 VAL N . 52665 1 612 . 1 . 1 141 141 VAL H H 1 9.665 0.002 . . . . . . . 141 VAL H . 52665 1 613 . 1 . 1 141 141 VAL C C 13 174.418 0.024 . . . . . . . 141 VAL CO . 52665 1 614 . 1 . 1 141 141 VAL CA C 13 60.200 0.030 . . . . . . . 141 VAL CA . 52665 1 615 . 1 . 1 141 141 VAL CB C 13 29.026 1.175 . . . . . . . 141 VAL CB . 52665 1 616 . 1 . 1 141 141 VAL N N 15 133.558 0.015 . . . . . . . 141 VAL N . 52665 1 617 . 1 . 1 142 142 PHE H H 1 8.252 0.004 . . . . . . . 142 PHE H . 52665 1 618 . 1 . 1 142 142 PHE C C 13 170.557 0.036 . . . . . . . 142 PHE CO . 52665 1 619 . 1 . 1 142 142 PHE CA C 13 52.529 0.103 . . . . . . . 142 PHE CA . 52665 1 620 . 1 . 1 142 142 PHE CB C 13 39.314 0.000 . . . . . . . 142 PHE CB . 52665 1 621 . 1 . 1 142 142 PHE N N 15 117.710 0.037 . . . . . . . 142 PHE N . 52665 1 622 . 1 . 1 143 143 GLY H H 1 7.301 0.002 . . . . . . . 143 GLY H . 52665 1 623 . 1 . 1 143 143 GLY C C 13 168.891 0.009 . . . . . . . 143 GLY CO . 52665 1 624 . 1 . 1 143 143 GLY CA C 13 44.179 0.027 . . . . . . . 143 GLY CA . 52665 1 625 . 1 . 1 143 143 GLY N N 15 107.446 0.019 . . . . . . . 143 GLY N . 52665 1 626 . 1 . 1 144 144 HIS H H 1 8.486 0.002 . . . . . . . 144 HIS H . 52665 1 627 . 1 . 1 144 144 HIS C C 13 171.429 0.011 . . . . . . . 144 HIS CO . 52665 1 628 . 1 . 1 144 144 HIS CA C 13 52.744 0.153 . . . . . . . 144 HIS CA . 52665 1 629 . 1 . 1 144 144 HIS CB C 13 31.855 0.005 . . . . . . . 144 HIS CB . 52665 1 630 . 1 . 1 144 144 HIS N N 15 119.012 0.024 . . . . . . . 144 HIS N . 52665 1 631 . 1 . 1 145 145 VAL H H 1 8.699 0.002 . . . . . . . 145 VAL H . 52665 1 632 . 1 . 1 145 145 VAL C C 13 172.463 0.015 . . . . . . . 145 VAL CO . 52665 1 633 . 1 . 1 145 145 VAL CA C 13 61.582 0.106 . . . . . . . 145 VAL CA . 52665 1 634 . 1 . 1 145 145 VAL CB C 13 29.700 0.032 . . . . . . . 145 VAL CB . 52665 1 635 . 1 . 1 145 145 VAL N N 15 122.623 0.029 . . . . . . . 145 VAL N . 52665 1 636 . 1 . 1 146 146 LYS H H 1 9.617 0.004 . . . . . . . 146 LYS H . 52665 1 637 . 1 . 1 146 146 LYS C C 13 173.454 0.006 . . . . . . . 146 LYS CO . 52665 1 638 . 1 . 1 146 146 LYS CA C 13 53.950 0.075 . . . . . . . 146 LYS CA . 52665 1 639 . 1 . 1 146 146 LYS CB C 13 32.510 0.007 . . . . . . . 146 LYS CB . 52665 1 640 . 1 . 1 146 146 LYS N N 15 132.212 0.042 . . . . . . . 146 LYS N . 52665 1 641 . 1 . 1 147 147 GLU H H 1 7.942 0.003 . . . . . . . 147 GLU H . 52665 1 642 . 1 . 1 147 147 GLU C C 13 172.662 0.005 . . . . . . . 147 GLU CO . 52665 1 643 . 1 . 1 147 147 GLU CA C 13 52.411 0.076 . . . . . . . 147 GLU CA . 52665 1 644 . 1 . 1 147 147 GLU CB C 13 30.905 0.000 . . . . . . . 147 GLU CB . 52665 1 645 . 1 . 1 147 147 GLU N N 15 115.750 0.021 . . . . . . . 147 GLU N . 52665 1 646 . 1 . 1 148 148 GLY H H 1 8.875 0.003 . . . . . . . 148 GLY H . 52665 1 647 . 1 . 1 148 148 GLY C C 13 174.653 0.000 . . . . . . . 148 GLY CO . 52665 1 648 . 1 . 1 148 148 GLY CA C 13 43.569 0.027 . . . . . . . 148 GLY CA . 52665 1 649 . 1 . 1 148 148 GLY N N 15 109.063 0.044 . . . . . . . 148 GLY N . 52665 1 650 . 1 . 1 149 149 MET H H 1 9.034 0.003 . . . . . . . 149 MET H . 52665 1 651 . 1 . 1 149 149 MET C C 13 175.645 0.005 . . . . . . . 149 MET CO . 52665 1 652 . 1 . 1 149 149 MET CA C 13 54.032 0.094 . . . . . . . 149 MET CA . 52665 1 653 . 1 . 1 149 149 MET CB C 13 27.066 0.000 . . . . . . . 149 MET CB . 52665 1 654 . 1 . 1 149 149 MET N N 15 122.602 0.023 . . . . . . . 149 MET N . 52665 1 655 . 1 . 1 150 150 ASP H H 1 9.177 0.002 . . . . . . . 150 ASP H . 52665 1 656 . 1 . 1 150 150 ASP C C 13 176.124 0.066 . . . . . . . 150 ASP CO . 52665 1 657 . 1 . 1 150 150 ASP CA C 13 54.028 0.085 . . . . . . . 150 ASP CA . 52665 1 658 . 1 . 1 150 150 ASP CB C 13 36.186 0.092 . . . . . . . 150 ASP CB . 52665 1 659 . 1 . 1 150 150 ASP N N 15 116.773 0.026 . . . . . . . 150 ASP N . 52665 1 660 . 1 . 1 151 151 VAL H H 1 7.474 0.002 . . . . . . . 151 VAL H . 52665 1 661 . 1 . 1 151 151 VAL C C 13 175.534 0.068 . . . . . . . 151 VAL CO . 52665 1 662 . 1 . 1 151 151 VAL CA C 13 63.446 0.061 . . . . . . . 151 VAL CA . 52665 1 663 . 1 . 1 151 151 VAL CB C 13 28.335 0.048 . . . . . . . 151 VAL CB . 52665 1 664 . 1 . 1 151 151 VAL N N 15 123.973 0.031 . . . . . . . 151 VAL N . 52665 1 665 . 1 . 1 152 152 VAL H H 1 7.563 0.002 . . . . . . . 152 VAL H . 52665 1 666 . 1 . 1 152 152 VAL C C 13 174.859 0.018 . . . . . . . 152 VAL CO . 52665 1 667 . 1 . 1 152 152 VAL CA C 13 64.379 0.058 . . . . . . . 152 VAL CA . 52665 1 668 . 1 . 1 152 152 VAL CB C 13 27.726 0.311 . . . . . . . 152 VAL CB . 52665 1 669 . 1 . 1 152 152 VAL N N 15 120.922 0.027 . . . . . . . 152 VAL N . 52665 1 670 . 1 . 1 153 153 LYS H H 1 8.169 0.002 . . . . . . . 153 LYS H . 52665 1 671 . 1 . 1 153 153 LYS C C 13 177.196 0.104 . . . . . . . 153 LYS CO . 52665 1 672 . 1 . 1 153 153 LYS CA C 13 55.414 0.042 . . . . . . . 153 LYS CA . 52665 1 673 . 1 . 1 153 153 LYS CB C 13 27.398 0.006 . . . . . . . 153 LYS CB . 52665 1 674 . 1 . 1 153 153 LYS N N 15 117.249 0.022 . . . . . . . 153 LYS N . 52665 1 675 . 1 . 1 154 154 LYS H H 1 7.559 0.003 . . . . . . . 154 LYS H . 52665 1 676 . 1 . 1 154 154 LYS C C 13 176.563 0.036 . . . . . . . 154 LYS CO . 52665 1 677 . 1 . 1 154 154 LYS CA C 13 56.881 0.070 . . . . . . . 154 LYS CA . 52665 1 678 . 1 . 1 154 154 LYS CB C 13 30.032 0.072 . . . . . . . 154 LYS CB . 52665 1 679 . 1 . 1 154 154 LYS N N 15 120.972 0.030 . . . . . . . 154 LYS N . 52665 1 680 . 1 . 1 155 155 ILE H H 1 8.148 0.002 . . . . . . . 155 ILE H . 52665 1 681 . 1 . 1 155 155 ILE C C 13 174.805 0.001 . . . . . . . 155 ILE CO . 52665 1 682 . 1 . 1 155 155 ILE CA C 13 64.426 0.074 . . . . . . . 155 ILE CA . 52665 1 683 . 1 . 1 155 155 ILE CB C 13 35.307 0.072 . . . . . . . 155 ILE CB . 52665 1 684 . 1 . 1 155 155 ILE N N 15 121.084 0.022 . . . . . . . 155 ILE N . 52665 1 685 . 1 . 1 156 156 GLU H H 1 8.255 0.003 . . . . . . . 156 GLU H . 52665 1 686 . 1 . 1 156 156 GLU C C 13 175.320 0.021 . . . . . . . 156 GLU CO . 52665 1 687 . 1 . 1 156 156 GLU CA C 13 55.969 0.139 . . . . . . . 156 GLU CA . 52665 1 688 . 1 . 1 156 156 GLU CB C 13 27.990 0.047 . . . . . . . 156 GLU CB . 52665 1 689 . 1 . 1 156 156 GLU N N 15 117.625 0.032 . . . . . . . 156 GLU N . 52665 1 690 . 1 . 1 157 157 SER H H 1 7.343 0.003 . . . . . . . 157 SER H . 52665 1 691 . 1 . 1 157 157 SER C C 13 172.273 0.000 . . . . . . . 157 SER CO . 52665 1 692 . 1 . 1 157 157 SER CA C 13 58.199 0.077 . . . . . . . 157 SER CA . 52665 1 693 . 1 . 1 157 157 SER CB C 13 60.210 0.000 . . . . . . . 157 SER CB . 52665 1 694 . 1 . 1 157 157 SER N N 15 113.514 0.034 . . . . . . . 157 SER N . 52665 1 695 . 1 . 1 158 158 PHE H H 1 7.727 0.002 . . . . . . . 158 PHE H . 52665 1 696 . 1 . 1 158 158 PHE C C 13 173.568 0.014 . . . . . . . 158 PHE CO . 52665 1 697 . 1 . 1 158 158 PHE CA C 13 54.875 0.043 . . . . . . . 158 PHE CA . 52665 1 698 . 1 . 1 158 158 PHE CB C 13 36.471 0.000 . . . . . . . 158 PHE CB . 52665 1 699 . 1 . 1 158 158 PHE N N 15 119.751 0.022 . . . . . . . 158 PHE N . 52665 1 700 . 1 . 1 159 159 GLY H H 1 7.839 0.004 . . . . . . . 159 GLY H . 52665 1 701 . 1 . 1 159 159 GLY C C 13 169.330 0.030 . . . . . . . 159 GLY CO . 52665 1 702 . 1 . 1 159 159 GLY CA C 13 41.617 0.111 . . . . . . . 159 GLY CA . 52665 1 703 . 1 . 1 159 159 GLY N N 15 105.394 0.021 . . . . . . . 159 GLY N . 52665 1 704 . 1 . 1 160 160 SER H H 1 8.265 0.003 . . . . . . . 160 SER H . 52665 1 705 . 1 . 1 160 160 SER C C 13 172.692 0.000 . . . . . . . 160 SER CO . 52665 1 706 . 1 . 1 160 160 SER CA C 13 55.441 0.042 . . . . . . . 160 SER CA . 52665 1 707 . 1 . 1 160 160 SER CB C 13 63.618 0.000 . . . . . . . 160 SER CB . 52665 1 708 . 1 . 1 160 160 SER N N 15 110.238 0.022 . . . . . . . 160 SER N . 52665 1 709 . 1 . 1 162 162 SER H H 1 8.106 0.000 . . . . . . . 162 SER H . 52665 1 710 . 1 . 1 162 162 SER C C 13 173.088 0.000 . . . . . . . 162 SER CO . 52665 1 711 . 1 . 1 162 162 SER CA C 13 56.606 0.082 . . . . . . . 162 SER CA . 52665 1 712 . 1 . 1 162 162 SER CB C 13 61.734 0.000 . . . . . . . 162 SER CB . 52665 1 713 . 1 . 1 162 162 SER N N 15 113.316 0.000 . . . . . . . 162 SER N . 52665 1 714 . 1 . 1 163 163 GLY H H 1 8.109 0.003 . . . . . . . 163 GLY H . 52665 1 715 . 1 . 1 163 163 GLY C C 13 170.422 0.008 . . . . . . . 163 GLY CO . 52665 1 716 . 1 . 1 163 163 GLY CA C 13 41.718 0.087 . . . . . . . 163 GLY CA . 52665 1 717 . 1 . 1 163 163 GLY N N 15 113.344 0.025 . . . . . . . 163 GLY N . 52665 1 718 . 1 . 1 164 164 ARG H H 1 7.358 0.002 . . . . . . . 164 ARG H . 52665 1 719 . 1 . 1 164 164 ARG C C 13 175.704 0.010 . . . . . . . 164 ARG CO . 52665 1 720 . 1 . 1 164 164 ARG CA C 13 53.982 0.053 . . . . . . . 164 ARG CA . 52665 1 721 . 1 . 1 164 164 ARG CB C 13 27.946 0.048 . . . . . . . 164 ARG CB . 52665 1 722 . 1 . 1 164 164 ARG N N 15 119.354 0.018 . . . . . . . 164 ARG N . 52665 1 723 . 1 . 1 165 165 THR H H 1 8.809 0.002 . . . . . . . 165 THR H . 52665 1 724 . 1 . 1 165 165 THR C C 13 173.523 0.030 . . . . . . . 165 THR CO . 52665 1 725 . 1 . 1 165 165 THR CA C 13 57.177 0.057 . . . . . . . 165 THR CA . 52665 1 726 . 1 . 1 165 165 THR CB C 13 68.710 0.009 . . . . . . . 165 THR CB . 52665 1 727 . 1 . 1 165 165 THR N N 15 116.344 0.016 . . . . . . . 165 THR N . 52665 1 728 . 1 . 1 166 166 SER H H 1 9.495 0.004 . . . . . . . 166 SER H . 52665 1 729 . 1 . 1 166 166 SER C C 13 172.052 0.054 . . . . . . . 166 SER CO . 52665 1 730 . 1 . 1 166 166 SER CA C 13 56.260 0.036 . . . . . . . 166 SER CA . 52665 1 731 . 1 . 1 166 166 SER CB C 13 60.795 0.008 . . . . . . . 166 SER CB . 52665 1 732 . 1 . 1 166 166 SER N N 15 116.751 0.034 . . . . . . . 166 SER N . 52665 1 733 . 1 . 1 167 167 LYS H H 1 7.373 0.002 . . . . . . . 167 LYS H . 52665 1 734 . 1 . 1 167 167 LYS C C 13 171.280 0.009 . . . . . . . 167 LYS CO . 52665 1 735 . 1 . 1 167 167 LYS CA C 13 51.488 0.043 . . . . . . . 167 LYS CA . 52665 1 736 . 1 . 1 167 167 LYS CB C 13 35.209 0.029 . . . . . . . 167 LYS CB . 52665 1 737 . 1 . 1 167 167 LYS N N 15 118.211 0.028 . . . . . . . 167 LYS N . 52665 1 738 . 1 . 1 168 168 LYS H H 1 8.461 0.002 . . . . . . . 168 LYS H . 52665 1 739 . 1 . 1 168 168 LYS C C 13 173.228 0.074 . . . . . . . 168 LYS CO . 52665 1 740 . 1 . 1 168 168 LYS CA C 13 54.093 0.142 . . . . . . . 168 LYS CA . 52665 1 741 . 1 . 1 168 168 LYS CB C 13 29.587 0.022 . . . . . . . 168 LYS CB . 52665 1 742 . 1 . 1 168 168 LYS N N 15 122.723 0.023 . . . . . . . 168 LYS N . 52665 1 743 . 1 . 1 169 169 ILE H H 1 9.361 0.004 . . . . . . . 169 ILE H . 52665 1 744 . 1 . 1 169 169 ILE C C 13 172.681 0.053 . . . . . . . 169 ILE CO . 52665 1 745 . 1 . 1 169 169 ILE CA C 13 56.980 0.137 . . . . . . . 169 ILE CA . 52665 1 746 . 1 . 1 169 169 ILE CB C 13 34.718 0.024 . . . . . . . 169 ILE CB . 52665 1 747 . 1 . 1 169 169 ILE N N 15 133.722 0.030 . . . . . . . 169 ILE N . 52665 1 748 . 1 . 1 170 170 VAL H H 1 8.689 0.002 . . . . . . . 170 VAL H . 52665 1 749 . 1 . 1 170 170 VAL C C 13 172.263 0.297 . . . . . . . 170 VAL CO . 52665 1 750 . 1 . 1 170 170 VAL CA C 13 58.689 0.046 . . . . . . . 170 VAL CA . 52665 1 751 . 1 . 1 170 170 VAL CB C 13 32.977 0.076 . . . . . . . 170 VAL CB . 52665 1 752 . 1 . 1 170 170 VAL N N 15 128.255 0.040 . . . . . . . 170 VAL N . 52665 1 753 . 1 . 1 171 171 ILE H H 1 9.043 0.003 . . . . . . . 171 ILE H . 52665 1 754 . 1 . 1 171 171 ILE C C 13 171.841 0.004 . . . . . . . 171 ILE CO . 52665 1 755 . 1 . 1 171 171 ILE CA C 13 58.039 0.044 . . . . . . . 171 ILE CA . 52665 1 756 . 1 . 1 171 171 ILE CB C 13 34.355 0.005 . . . . . . . 171 ILE CB . 52665 1 757 . 1 . 1 171 171 ILE N N 15 125.938 0.036 . . . . . . . 171 ILE N . 52665 1 758 . 1 . 1 172 172 THR H H 1 8.839 0.002 . . . . . . . 172 THR H . 52665 1 759 . 1 . 1 172 172 THR C C 13 173.114 0.059 . . . . . . . 172 THR CO . 52665 1 760 . 1 . 1 172 172 THR CA C 13 61.690 0.042 . . . . . . . 172 THR CA . 52665 1 761 . 1 . 1 172 172 THR CB C 13 66.229 0.000 . . . . . . . 172 THR CB . 52665 1 762 . 1 . 1 172 172 THR N N 15 125.571 0.015 . . . . . . . 172 THR N . 52665 1 763 . 1 . 1 173 173 ASP H H 1 8.106 0.003 . . . . . . . 173 ASP H . 52665 1 764 . 1 . 1 173 173 ASP C C 13 169.652 0.016 . . . . . . . 173 ASP CO . 52665 1 765 . 1 . 1 173 173 ASP CA C 13 50.732 0.060 . . . . . . . 173 ASP CA . 52665 1 766 . 1 . 1 173 173 ASP CB C 13 42.061 0.044 . . . . . . . 173 ASP CB . 52665 1 767 . 1 . 1 173 173 ASP N N 15 115.340 0.022 . . . . . . . 173 ASP N . 52665 1 768 . 1 . 1 174 174 CYS H H 1 8.224 0.002 . . . . . . . 174 CYS H . 52665 1 769 . 1 . 1 174 174 CYS C C 13 169.399 0.008 . . . . . . . 174 CYS CO . 52665 1 770 . 1 . 1 174 174 CYS CA C 13 52.364 0.039 . . . . . . . 174 CYS CA . 52665 1 771 . 1 . 1 174 174 CYS CB C 13 28.079 0.000 . . . . . . . 174 CYS CB . 52665 1 772 . 1 . 1 174 174 CYS N N 15 115.544 0.023 . . . . . . . 174 CYS N . 52665 1 773 . 1 . 1 175 175 GLY H H 1 6.567 0.002 . . . . . . . 175 GLY H . 52665 1 774 . 1 . 1 175 175 GLY C C 13 167.277 0.003 . . . . . . . 175 GLY CO . 52665 1 775 . 1 . 1 175 175 GLY CA C 13 42.747 0.081 . . . . . . . 175 GLY CA . 52665 1 776 . 1 . 1 175 175 GLY N N 15 101.595 0.037 . . . . . . . 175 GLY N . 52665 1 777 . 1 . 1 176 176 GLN H H 1 9.124 0.002 . . . . . . . 176 GLN H . 52665 1 778 . 1 . 1 176 176 GLN C C 13 172.662 0.009 . . . . . . . 176 GLN CO . 52665 1 779 . 1 . 1 176 176 GLN CA C 13 52.143 0.048 . . . . . . . 176 GLN CA . 52665 1 780 . 1 . 1 176 176 GLN CB C 13 28.140 0.011 . . . . . . . 176 GLN CB . 52665 1 781 . 1 . 1 176 176 GLN N N 15 120.883 0.018 . . . . . . . 176 GLN N . 52665 1 782 . 1 . 1 177 177 LEU H H 1 9.119 0.002 . . . . . . . 177 LEU H . 52665 1 783 . 1 . 1 177 177 LEU C C 13 173.850 0.044 . . . . . . . 177 LEU CO . 52665 1 784 . 1 . 1 177 177 LEU CA C 13 52.854 0.091 . . . . . . . 177 LEU CA . 52665 1 785 . 1 . 1 177 177 LEU CB C 13 40.799 0.011 . . . . . . . 177 LEU CB . 52665 1 786 . 1 . 1 177 177 LEU N N 15 127.257 0.037 . . . . . . . 177 LEU N . 52665 1 787 . 1 . 1 178 178 SER H H 1 8.118 0.002 . . . . . . . 178 SER H . 52665 1 788 . 1 . 1 178 178 SER C C 13 175.712 0.000 . . . . . . . 178 SER CO . 52665 1 789 . 1 . 1 178 178 SER CA C 13 57.321 0.143 . . . . . . . 178 SER CA . 52665 1 790 . 1 . 1 178 178 SER CB C 13 61.771 0.000 . . . . . . . 178 SER CB . 52665 1 791 . 1 . 1 178 178 SER N N 15 120.509 0.020 . . . . . . . 178 SER N . 52665 1 stop_ save_