data_27943 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27943 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of reduced human DJ-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-14 _Entry.Accession_date 2019-06-14 _Entry.Last_release_date 2019-06-17 _Entry.Original_release_date 2019-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 Enrico Luchinat . . . . 27943 2 Letizia Barbieri . . . . 27943 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27943 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 540 27943 '15N chemical shifts' 175 27943 '1H chemical shifts' 175 27943 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 2 . . 2019-12-04 2019-06-14 update BMRB 'update entry citation' 27943 1 . . 2019-08-26 2019-06-14 original author 'original release' 27943 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27947 'oxidized (cysteine sulfinic acid 106) human DJ-1' 27943 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27943 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31377986 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignment of human DJ-1 in the reduced state and in the cysteine sulfinic acid state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 371 _Citation.Page_last 376 _Citation.Year 2019 _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 Letizia Barbieri . . . . 27943 1 2 Enrico Luchinat . . . . 27943 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cys106 27943 1 DJ-1 27943 1 'cysteine sulfinic acid' 27943 1 deglycase 27943 1 oxidation 27943 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 27943 _Assembly.ID 1 _Assembly.Name 'DJ-1 dimer reduced' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 39693.88 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DJ-1 monomer reduced, 1' 1 $DJ-1 A . yes native no no 1 . . 27943 1 2 'DJ-1 monomer reduced, 2' 1 $DJ-1 B . yes native no no 1 . . 27943 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DJ-1 _Entity.Sf_category entity _Entity.Sf_framecode DJ-1 _Entity.Entry_ID 27943 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DJ-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 ; SASKRALVILAKGAEEMETV IPVDVMRRAGIKVTVAGLAG KDPVQCSRDVVICPDASLED AKKEGPYDVVVLPGGNLGAQ NLSESAAVKEILKEQENRKG LIAAICAGPTALLAHEIGFG SKVTTHPLAKDKMMNGGHYT YSENRVEKDGLILTSRGPGT SFEFALAIVEALNGKEVAAQ VKAPLVLKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Met1 is replaced by Ser1 as a leftover from the purification tag cleavage.' _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 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 19846.94 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes GB D61380 . DJ-1 . . . . . . . . . . . . . . 27943 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID deglycase 27943 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 . SER . 27943 1 2 . ALA . 27943 1 3 . SER . 27943 1 4 . LYS . 27943 1 5 . ARG . 27943 1 6 . ALA . 27943 1 7 . LEU . 27943 1 8 . VAL . 27943 1 9 . ILE . 27943 1 10 . LEU . 27943 1 11 . ALA . 27943 1 12 . LYS . 27943 1 13 . GLY . 27943 1 14 . ALA . 27943 1 15 . GLU . 27943 1 16 . GLU . 27943 1 17 . MET . 27943 1 18 . GLU . 27943 1 19 . THR . 27943 1 20 . VAL . 27943 1 21 . ILE . 27943 1 22 . PRO . 27943 1 23 . VAL . 27943 1 24 . ASP . 27943 1 25 . VAL . 27943 1 26 . MET . 27943 1 27 . ARG . 27943 1 28 . ARG . 27943 1 29 . ALA . 27943 1 30 . GLY . 27943 1 31 . ILE . 27943 1 32 . LYS . 27943 1 33 . VAL . 27943 1 34 . THR . 27943 1 35 . VAL . 27943 1 36 . ALA . 27943 1 37 . GLY . 27943 1 38 . LEU . 27943 1 39 . ALA . 27943 1 40 . GLY . 27943 1 41 . LYS . 27943 1 42 . ASP . 27943 1 43 . PRO . 27943 1 44 . VAL . 27943 1 45 . GLN . 27943 1 46 . CYS . 27943 1 47 . SER . 27943 1 48 . ARG . 27943 1 49 . ASP . 27943 1 50 . VAL . 27943 1 51 . VAL . 27943 1 52 . ILE . 27943 1 53 . CYS . 27943 1 54 . PRO . 27943 1 55 . ASP . 27943 1 56 . ALA . 27943 1 57 . SER . 27943 1 58 . LEU . 27943 1 59 . GLU . 27943 1 60 . ASP . 27943 1 61 . ALA . 27943 1 62 . LYS . 27943 1 63 . LYS . 27943 1 64 . GLU . 27943 1 65 . GLY . 27943 1 66 . PRO . 27943 1 67 . TYR . 27943 1 68 . ASP . 27943 1 69 . VAL . 27943 1 70 . VAL . 27943 1 71 . VAL . 27943 1 72 . LEU . 27943 1 73 . PRO . 27943 1 74 . GLY . 27943 1 75 . GLY . 27943 1 76 . ASN . 27943 1 77 . LEU . 27943 1 78 . GLY . 27943 1 79 . ALA . 27943 1 80 . GLN . 27943 1 81 . ASN . 27943 1 82 . LEU . 27943 1 83 . SER . 27943 1 84 . GLU . 27943 1 85 . SER . 27943 1 86 . ALA . 27943 1 87 . ALA . 27943 1 88 . VAL . 27943 1 89 . LYS . 27943 1 90 . GLU . 27943 1 91 . ILE . 27943 1 92 . LEU . 27943 1 93 . LYS . 27943 1 94 . GLU . 27943 1 95 . GLN . 27943 1 96 . GLU . 27943 1 97 . ASN . 27943 1 98 . ARG . 27943 1 99 . LYS . 27943 1 100 . GLY . 27943 1 101 . LEU . 27943 1 102 . ILE . 27943 1 103 . ALA . 27943 1 104 . ALA . 27943 1 105 . ILE . 27943 1 106 . CYS . 27943 1 107 . ALA . 27943 1 108 . GLY . 27943 1 109 . PRO . 27943 1 110 . THR . 27943 1 111 . ALA . 27943 1 112 . LEU . 27943 1 113 . LEU . 27943 1 114 . ALA . 27943 1 115 . HIS . 27943 1 116 . GLU . 27943 1 117 . ILE . 27943 1 118 . GLY . 27943 1 119 . PHE . 27943 1 120 . GLY . 27943 1 121 . SER . 27943 1 122 . LYS . 27943 1 123 . VAL . 27943 1 124 . THR . 27943 1 125 . THR . 27943 1 126 . HIS . 27943 1 127 . PRO . 27943 1 128 . LEU . 27943 1 129 . ALA . 27943 1 130 . LYS . 27943 1 131 . ASP . 27943 1 132 . LYS . 27943 1 133 . MET . 27943 1 134 . MET . 27943 1 135 . ASN . 27943 1 136 . GLY . 27943 1 137 . GLY . 27943 1 138 . HIS . 27943 1 139 . TYR . 27943 1 140 . THR . 27943 1 141 . TYR . 27943 1 142 . SER . 27943 1 143 . GLU . 27943 1 144 . ASN . 27943 1 145 . ARG . 27943 1 146 . VAL . 27943 1 147 . GLU . 27943 1 148 . LYS . 27943 1 149 . ASP . 27943 1 150 . GLY . 27943 1 151 . LEU . 27943 1 152 . ILE . 27943 1 153 . LEU . 27943 1 154 . THR . 27943 1 155 . SER . 27943 1 156 . ARG . 27943 1 157 . GLY . 27943 1 158 . PRO . 27943 1 159 . GLY . 27943 1 160 . THR . 27943 1 161 . SER . 27943 1 162 . PHE . 27943 1 163 . GLU . 27943 1 164 . PHE . 27943 1 165 . ALA . 27943 1 166 . LEU . 27943 1 167 . ALA . 27943 1 168 . ILE . 27943 1 169 . VAL . 27943 1 170 . GLU . 27943 1 171 . ALA . 27943 1 172 . LEU . 27943 1 173 . ASN . 27943 1 174 . GLY . 27943 1 175 . LYS . 27943 1 176 . GLU . 27943 1 177 . VAL . 27943 1 178 . ALA . 27943 1 179 . ALA . 27943 1 180 . GLN . 27943 1 181 . VAL . 27943 1 182 . LYS . 27943 1 183 . ALA . 27943 1 184 . PRO . 27943 1 185 . LEU . 27943 1 186 . VAL . 27943 1 187 . LEU . 27943 1 188 . LYS . 27943 1 189 . ASP . 27943 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 . SER 1 1 27943 1 . ALA 2 2 27943 1 . SER 3 3 27943 1 . LYS 4 4 27943 1 . ARG 5 5 27943 1 . ALA 6 6 27943 1 . LEU 7 7 27943 1 . VAL 8 8 27943 1 . ILE 9 9 27943 1 . LEU 10 10 27943 1 . ALA 11 11 27943 1 . LYS 12 12 27943 1 . GLY 13 13 27943 1 . ALA 14 14 27943 1 . GLU 15 15 27943 1 . GLU 16 16 27943 1 . MET 17 17 27943 1 . GLU 18 18 27943 1 . THR 19 19 27943 1 . VAL 20 20 27943 1 . ILE 21 21 27943 1 . PRO 22 22 27943 1 . VAL 23 23 27943 1 . ASP 24 24 27943 1 . VAL 25 25 27943 1 . MET 26 26 27943 1 . ARG 27 27 27943 1 . ARG 28 28 27943 1 . ALA 29 29 27943 1 . GLY 30 30 27943 1 . ILE 31 31 27943 1 . LYS 32 32 27943 1 . VAL 33 33 27943 1 . THR 34 34 27943 1 . VAL 35 35 27943 1 . ALA 36 36 27943 1 . GLY 37 37 27943 1 . LEU 38 38 27943 1 . ALA 39 39 27943 1 . GLY 40 40 27943 1 . LYS 41 41 27943 1 . ASP 42 42 27943 1 . PRO 43 43 27943 1 . VAL 44 44 27943 1 . GLN 45 45 27943 1 . CYS 46 46 27943 1 . SER 47 47 27943 1 . ARG 48 48 27943 1 . ASP 49 49 27943 1 . VAL 50 50 27943 1 . VAL 51 51 27943 1 . ILE 52 52 27943 1 . CYS 53 53 27943 1 . PRO 54 54 27943 1 . ASP 55 55 27943 1 . ALA 56 56 27943 1 . SER 57 57 27943 1 . LEU 58 58 27943 1 . GLU 59 59 27943 1 . ASP 60 60 27943 1 . ALA 61 61 27943 1 . LYS 62 62 27943 1 . LYS 63 63 27943 1 . GLU 64 64 27943 1 . GLY 65 65 27943 1 . PRO 66 66 27943 1 . TYR 67 67 27943 1 . ASP 68 68 27943 1 . VAL 69 69 27943 1 . VAL 70 70 27943 1 . VAL 71 71 27943 1 . LEU 72 72 27943 1 . PRO 73 73 27943 1 . GLY 74 74 27943 1 . GLY 75 75 27943 1 . ASN 76 76 27943 1 . LEU 77 77 27943 1 . GLY 78 78 27943 1 . ALA 79 79 27943 1 . GLN 80 80 27943 1 . ASN 81 81 27943 1 . LEU 82 82 27943 1 . SER 83 83 27943 1 . GLU 84 84 27943 1 . SER 85 85 27943 1 . ALA 86 86 27943 1 . ALA 87 87 27943 1 . VAL 88 88 27943 1 . LYS 89 89 27943 1 . GLU 90 90 27943 1 . ILE 91 91 27943 1 . LEU 92 92 27943 1 . LYS 93 93 27943 1 . GLU 94 94 27943 1 . GLN 95 95 27943 1 . GLU 96 96 27943 1 . ASN 97 97 27943 1 . ARG 98 98 27943 1 . LYS 99 99 27943 1 . GLY 100 100 27943 1 . LEU 101 101 27943 1 . ILE 102 102 27943 1 . ALA 103 103 27943 1 . ALA 104 104 27943 1 . ILE 105 105 27943 1 . CYS 106 106 27943 1 . ALA 107 107 27943 1 . GLY 108 108 27943 1 . PRO 109 109 27943 1 . THR 110 110 27943 1 . ALA 111 111 27943 1 . LEU 112 112 27943 1 . LEU 113 113 27943 1 . ALA 114 114 27943 1 . HIS 115 115 27943 1 . GLU 116 116 27943 1 . ILE 117 117 27943 1 . GLY 118 118 27943 1 . PHE 119 119 27943 1 . GLY 120 120 27943 1 . SER 121 121 27943 1 . LYS 122 122 27943 1 . VAL 123 123 27943 1 . THR 124 124 27943 1 . THR 125 125 27943 1 . HIS 126 126 27943 1 . PRO 127 127 27943 1 . LEU 128 128 27943 1 . ALA 129 129 27943 1 . LYS 130 130 27943 1 . ASP 131 131 27943 1 . LYS 132 132 27943 1 . MET 133 133 27943 1 . MET 134 134 27943 1 . ASN 135 135 27943 1 . GLY 136 136 27943 1 . GLY 137 137 27943 1 . HIS 138 138 27943 1 . TYR 139 139 27943 1 . THR 140 140 27943 1 . TYR 141 141 27943 1 . SER 142 142 27943 1 . GLU 143 143 27943 1 . ASN 144 144 27943 1 . ARG 145 145 27943 1 . VAL 146 146 27943 1 . GLU 147 147 27943 1 . LYS 148 148 27943 1 . ASP 149 149 27943 1 . GLY 150 150 27943 1 . LEU 151 151 27943 1 . ILE 152 152 27943 1 . LEU 153 153 27943 1 . THR 154 154 27943 1 . SER 155 155 27943 1 . ARG 156 156 27943 1 . GLY 157 157 27943 1 . PRO 158 158 27943 1 . GLY 159 159 27943 1 . THR 160 160 27943 1 . SER 161 161 27943 1 . PHE 162 162 27943 1 . GLU 163 163 27943 1 . PHE 164 164 27943 1 . ALA 165 165 27943 1 . LEU 166 166 27943 1 . ALA 167 167 27943 1 . ILE 168 168 27943 1 . VAL 169 169 27943 1 . GLU 170 170 27943 1 . ALA 171 171 27943 1 . LEU 172 172 27943 1 . ASN 173 173 27943 1 . GLY 174 174 27943 1 . LYS 175 175 27943 1 . GLU 176 176 27943 1 . VAL 177 177 27943 1 . ALA 178 178 27943 1 . ALA 179 179 27943 1 . GLN 180 180 27943 1 . VAL 181 181 27943 1 . LYS 182 182 27943 1 . ALA 183 183 27943 1 . PRO 184 184 27943 1 . LEU 185 185 27943 1 . VAL 186 186 27943 1 . LEU 187 187 27943 1 . LYS 188 188 27943 1 . ASP 189 189 27943 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 27943 _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 $DJ-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . PARK7 . 27943 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 27943 _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 $DJ-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) Gold' . . . . . pET15b . . . 27943 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27943 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DJ-1 '[U-13C; U-15N]' . . 1 $DJ-1 . . 360 . . uM . . . . 27943 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27943 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27943 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 27943 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 27943 1 pressure 1 . atm 27943 1 temperature 310 0.1 K 27943 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27943 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27943 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27943 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27943 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Fred Damberger, Rochus Keller' . . 27943 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27943 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27943 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27943 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27943 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 950 . . . 27943 1 2 spectrometer_2 Bruker 'Avance NEO' . 500 . . . 27943 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 27943 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27943 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27943 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27943 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27943 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27943 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27943 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details '13C and 15N chemical shifts were referenced by indirect referencing (Wishart et al. 1995)' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 27943 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 27943 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 27943 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27943 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Backbone 1H, 13C, 15N resonance assignment of reduced DJ-1' _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' . . . 27943 1 2 '3D HNCO' . . . 27943 1 3 '3D HNCA' . . . 27943 1 5 '3D CBCA(CO)NH' . . . 27943 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 27943 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.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 3 3 SER H H 1 8.284 0.020 . 1 . . . . . 3 SER H . 27943 1 2 . 1 1 3 3 SER C C 13 174.563 0.3 . 1 . . . . . 3 SER C . 27943 1 3 . 1 1 3 3 SER CA C 13 58.689 0.3 . 1 . . . . . 3 SER CA . 27943 1 4 . 1 1 3 3 SER CB C 13 64.202 0.3 . 1 . . . . . 3 SER CB . 27943 1 5 . 1 1 3 3 SER N N 15 116.208 0.3 . 1 . . . . . 3 SER N . 27943 1 6 . 1 1 4 4 LYS H H 1 8.716 0.020 . 1 . . . . . 4 LYS H . 27943 1 7 . 1 1 4 4 LYS C C 13 175.808 0.3 . 1 . . . . . 4 LYS C . 27943 1 8 . 1 1 4 4 LYS CA C 13 54.731 0.3 . 1 . . . . . 4 LYS CA . 27943 1 9 . 1 1 4 4 LYS CB C 13 34.070 0.3 . 1 . . . . . 4 LYS CB . 27943 1 10 . 1 1 4 4 LYS N N 15 122.999 0.3 . 1 . . . . . 4 LYS N . 27943 1 11 . 1 1 5 5 ARG H H 1 9.820 0.020 . 1 . . . . . 5 ARG H . 27943 1 12 . 1 1 5 5 ARG C C 13 175.576 0.3 . 1 . . . . . 5 ARG C . 27943 1 13 . 1 1 5 5 ARG CA C 13 54.974 0.3 . 1 . . . . . 5 ARG CA . 27943 1 14 . 1 1 5 5 ARG CB C 13 35.318 0.3 . 1 . . . . . 5 ARG CB . 27943 1 15 . 1 1 5 5 ARG N N 15 119.583 0.3 . 1 . . . . . 5 ARG N . 27943 1 16 . 1 1 6 6 ALA H H 1 9.175 0.020 . 1 . . . . . 6 ALA H . 27943 1 17 . 1 1 6 6 ALA C C 13 174.014 0.3 . 1 . . . . . 6 ALA C . 27943 1 18 . 1 1 6 6 ALA CA C 13 49.718 0.3 . 1 . . . . . 6 ALA CA . 27943 1 19 . 1 1 6 6 ALA CB C 13 26.042 0.3 . 1 . . . . . 6 ALA CB . 27943 1 20 . 1 1 6 6 ALA N N 15 123.583 0.3 . 1 . . . . . 6 ALA N . 27943 1 21 . 1 1 7 7 LEU H H 1 8.202 0.020 . 1 . . . . . 7 LEU H . 27943 1 22 . 1 1 7 7 LEU C C 13 174.422 0.3 . 1 . . . . . 7 LEU C . 27943 1 23 . 1 1 7 7 LEU CA C 13 52.799 0.3 . 1 . . . . . 7 LEU CA . 27943 1 24 . 1 1 7 7 LEU CB C 13 43.237 0.3 . 1 . . . . . 7 LEU CB . 27943 1 25 . 1 1 7 7 LEU N N 15 124.242 0.3 . 1 . . . . . 7 LEU N . 27943 1 26 . 1 1 8 8 VAL H H 1 8.732 0.020 . 1 . . . . . 8 VAL H . 27943 1 27 . 1 1 8 8 VAL C C 13 174.236 0.3 . 1 . . . . . 8 VAL C . 27943 1 28 . 1 1 8 8 VAL CA C 13 60.690 0.3 . 1 . . . . . 8 VAL CA . 27943 1 29 . 1 1 8 8 VAL CB C 13 33.447 0.3 . 1 . . . . . 8 VAL CB . 27943 1 30 . 1 1 8 8 VAL N N 15 127.484 0.3 . 1 . . . . . 8 VAL N . 27943 1 31 . 1 1 9 9 ILE H H 1 7.507 0.020 . 1 . . . . . 9 ILE H . 27943 1 32 . 1 1 9 9 ILE C C 13 173.026 0.3 . 1 . . . . . 9 ILE C . 27943 1 33 . 1 1 9 9 ILE CA C 13 62.560 0.3 . 1 . . . . . 9 ILE CA . 27943 1 34 . 1 1 9 9 ILE CB C 13 37.705 0.3 . 1 . . . . . 9 ILE CB . 27943 1 35 . 1 1 9 9 ILE N N 15 125.606 0.3 . 1 . . . . . 9 ILE N . 27943 1 36 . 1 1 10 10 LEU H H 1 9.045 0.020 . 1 . . . . . 10 LEU H . 27943 1 37 . 1 1 10 10 LEU C C 13 173.288 0.3 . 1 . . . . . 10 LEU C . 27943 1 38 . 1 1 10 10 LEU CA C 13 53.884 0.3 . 1 . . . . . 10 LEU CA . 27943 1 39 . 1 1 10 10 LEU CB C 13 44.756 0.3 . 1 . . . . . 10 LEU CB . 27943 1 40 . 1 1 10 10 LEU N N 15 130.354 0.3 . 1 . . . . . 10 LEU N . 27943 1 41 . 1 1 11 11 ALA H H 1 9.609 0.020 . 1 . . . . . 11 ALA H . 27943 1 42 . 1 1 11 11 ALA C C 13 174.951 0.3 . 1 . . . . . 11 ALA C . 27943 1 43 . 1 1 11 11 ALA CA C 13 49.130 0.3 . 1 . . . . . 11 ALA CA . 27943 1 44 . 1 1 11 11 ALA CB C 13 23.764 0.3 . 1 . . . . . 11 ALA CB . 27943 1 45 . 1 1 11 11 ALA N N 15 134.328 0.3 . 1 . . . . . 11 ALA N . 27943 1 46 . 1 1 12 12 LYS H H 1 8.636 0.020 . 1 . . . . . 12 LYS H . 27943 1 47 . 1 1 12 12 LYS C C 13 176.831 0.3 . 1 . . . . . 12 LYS C . 27943 1 48 . 1 1 12 12 LYS CA C 13 58.314 0.3 . 1 . . . . . 12 LYS CA . 27943 1 49 . 1 1 12 12 LYS CB C 13 32.416 0.3 . 1 . . . . . 12 LYS CB . 27943 1 50 . 1 1 12 12 LYS N N 15 120.338 0.3 . 1 . . . . . 12 LYS N . 27943 1 51 . 1 1 13 13 GLY H H 1 8.468 0.020 . 1 . . . . . 13 GLY H . 27943 1 52 . 1 1 13 13 GLY C C 13 175.500 0.3 . 1 . . . . . 13 GLY C . 27943 1 53 . 1 1 13 13 GLY CA C 13 44.976 0.3 . 1 . . . . . 13 GLY CA . 27943 1 54 . 1 1 13 13 GLY N N 15 108.330 0.3 . 1 . . . . . 13 GLY N . 27943 1 55 . 1 1 14 14 ALA H H 1 8.177 0.020 . 1 . . . . . 14 ALA H . 27943 1 56 . 1 1 14 14 ALA C C 13 176.629 0.3 . 1 . . . . . 14 ALA C . 27943 1 57 . 1 1 14 14 ALA CA C 13 52.297 0.3 . 1 . . . . . 14 ALA CA . 27943 1 58 . 1 1 14 14 ALA CB C 13 20.239 0.3 . 1 . . . . . 14 ALA CB . 27943 1 59 . 1 1 14 14 ALA N N 15 123.876 0.3 . 1 . . . . . 14 ALA N . 27943 1 60 . 1 1 15 15 GLU H H 1 7.614 0.020 . 1 . . . . . 15 GLU H . 27943 1 61 . 1 1 15 15 GLU C C 13 179.324 0.3 . 1 . . . . . 15 GLU C . 27943 1 62 . 1 1 15 15 GLU CA C 13 56.912 0.3 . 1 . . . . . 15 GLU CA . 27943 1 63 . 1 1 15 15 GLU CB C 13 29.784 0.3 . 1 . . . . . 15 GLU CB . 27943 1 64 . 1 1 15 15 GLU N N 15 126.126 0.3 . 1 . . . . . 15 GLU N . 27943 1 65 . 1 1 16 16 GLU C C 13 180.499 0.3 . 1 . . . . . 16 GLU C . 27943 1 66 . 1 1 16 16 GLU CA C 13 59.607 0.3 . 1 . . . . . 16 GLU CA . 27943 1 67 . 1 1 16 16 GLU CB C 13 27.211 0.3 . 1 . . . . . 16 GLU CB . 27943 1 68 . 1 1 17 17 MET H H 1 9.583 0.020 . 1 . . . . . 17 MET H . 27943 1 69 . 1 1 17 17 MET C C 13 177.516 0.3 . 1 . . . . . 17 MET C . 27943 1 70 . 1 1 17 17 MET CA C 13 61.210 0.3 . 1 . . . . . 17 MET CA . 27943 1 71 . 1 1 17 17 MET CB C 13 33.609 0.3 . 1 . . . . . 17 MET CB . 27943 1 72 . 1 1 17 17 MET N N 15 123.113 0.3 . 1 . . . . . 17 MET N . 27943 1 73 . 1 1 18 18 GLU H H 1 7.157 0.020 . 1 . . . . . 18 GLU H . 27943 1 74 . 1 1 18 18 GLU C C 13 174.195 0.3 . 1 . . . . . 18 GLU C . 27943 1 75 . 1 1 18 18 GLU CA C 13 56.543 0.3 . 1 . . . . . 18 GLU CA . 27943 1 76 . 1 1 18 18 GLU CB C 13 28.727 0.3 . 1 . . . . . 18 GLU CB . 27943 1 77 . 1 1 18 18 GLU N N 15 114.580 0.3 . 1 . . . . . 18 GLU N . 27943 1 78 . 1 1 19 19 THR H H 1 7.252 0.020 . 1 . . . . . 19 THR H . 27943 1 79 . 1 1 19 19 THR C C 13 175.591 0.3 . 1 . . . . . 19 THR C . 27943 1 80 . 1 1 19 19 THR CA C 13 65.900 0.3 . 1 . . . . . 19 THR CA . 27943 1 81 . 1 1 19 19 THR CB C 13 68.624 0.3 . 1 . . . . . 19 THR CB . 27943 1 82 . 1 1 19 19 THR N N 15 110.828 0.3 . 1 . . . . . 19 THR N . 27943 1 83 . 1 1 20 20 VAL H H 1 8.249 0.020 . 1 . . . . . 20 VAL H . 27943 1 84 . 1 1 20 20 VAL C C 13 176.443 0.3 . 1 . . . . . 20 VAL C . 27943 1 85 . 1 1 20 20 VAL CA C 13 67.192 0.3 . 1 . . . . . 20 VAL CA . 27943 1 86 . 1 1 20 20 VAL CB C 13 32.091 0.3 . 1 . . . . . 20 VAL CB . 27943 1 87 . 1 1 20 20 VAL N N 15 117.012 0.3 . 1 . . . . . 20 VAL N . 27943 1 88 . 1 1 21 21 ILE H H 1 8.063 0.020 . 1 . . . . . 21 ILE H . 27943 1 89 . 1 1 21 21 ILE C C 13 174.524 0.3 . 1 . . . . . 21 ILE C . 27943 1 90 . 1 1 21 21 ILE CA C 13 66.892 0.3 . 1 . . . . . 21 ILE CA . 27943 1 91 . 1 1 21 21 ILE CB C 13 35.334 0.3 . 1 . . . . . 21 ILE CB . 27943 1 92 . 1 1 21 21 ILE N N 15 116.759 0.3 . 1 . . . . . 21 ILE N . 27943 1 93 . 1 1 22 22 PRO C C 13 177.647 0.3 . 1 . . . . . 22 PRO C . 27943 1 94 . 1 1 22 22 PRO CA C 13 66.084 0.3 . 1 . . . . . 22 PRO CA . 27943 1 95 . 1 1 22 22 PRO CB C 13 30.219 0.3 . 1 . . . . . 22 PRO CB . 27943 1 96 . 1 1 23 23 VAL H H 1 7.022 0.020 . 1 . . . . . 23 VAL H . 27943 1 97 . 1 1 23 23 VAL C C 13 175.717 0.3 . 1 . . . . . 23 VAL C . 27943 1 98 . 1 1 23 23 VAL CA C 13 68.124 0.3 . 1 . . . . . 23 VAL CA . 27943 1 99 . 1 1 23 23 VAL CB C 13 32.036 0.3 . 1 . . . . . 23 VAL CB . 27943 1 100 . 1 1 23 23 VAL N N 15 115.296 0.3 . 1 . . . . . 23 VAL N . 27943 1 101 . 1 1 24 24 ASP H H 1 8.253 0.020 . 1 . . . . . 24 ASP H . 27943 1 102 . 1 1 24 24 ASP C C 13 176.372 0.3 . 1 . . . . . 24 ASP C . 27943 1 103 . 1 1 24 24 ASP CA C 13 56.693 0.3 . 1 . . . . . 24 ASP CA . 27943 1 104 . 1 1 24 24 ASP CB C 13 38.844 0.3 . 1 . . . . . 24 ASP CB . 27943 1 105 . 1 1 24 24 ASP N N 15 116.972 0.3 . 1 . . . . . 24 ASP N . 27943 1 106 . 1 1 25 25 VAL H H 1 8.524 0.020 . 1 . . . . . 25 VAL H . 27943 1 107 . 1 1 25 25 VAL C C 13 177.168 0.3 . 1 . . . . . 25 VAL C . 27943 1 108 . 1 1 25 25 VAL CA C 13 67.976 0.3 . 1 . . . . . 25 VAL CA . 27943 1 109 . 1 1 25 25 VAL CB C 13 31.413 0.3 . 1 . . . . . 25 VAL CB . 27943 1 110 . 1 1 25 25 VAL N N 15 115.510 0.3 . 1 . . . . . 25 VAL N . 27943 1 111 . 1 1 26 26 MET H H 1 8.347 0.020 . 1 . . . . . 26 MET H . 27943 1 112 . 1 1 26 26 MET C C 13 178.423 0.3 . 1 . . . . . 26 MET C . 27943 1 113 . 1 1 26 26 MET CA C 13 61.215 0.3 . 1 . . . . . 26 MET CA . 27943 1 114 . 1 1 26 26 MET CB C 13 34.179 0.3 . 1 . . . . . 26 MET CB . 27943 1 115 . 1 1 26 26 MET N N 15 114.171 0.3 . 1 . . . . . 26 MET N . 27943 1 116 . 1 1 27 27 ARG H H 1 8.228 0.020 . 1 . . . . . 27 ARG H . 27943 1 117 . 1 1 27 27 ARG C C 13 182.197 0.3 . 1 . . . . . 27 ARG C . 27943 1 118 . 1 1 27 27 ARG CA C 13 61.123 0.3 . 1 . . . . . 27 ARG CA . 27943 1 119 . 1 1 27 27 ARG CB C 13 29.568 0.3 . 1 . . . . . 27 ARG CB . 27943 1 120 . 1 1 27 27 ARG N N 15 119.949 0.3 . 1 . . . . . 27 ARG N . 27943 1 121 . 1 1 28 28 ARG H H 1 8.912 0.020 . 1 . . . . . 28 ARG H . 27943 1 122 . 1 1 28 28 ARG C C 13 177.667 0.3 . 1 . . . . . 28 ARG C . 27943 1 123 . 1 1 28 28 ARG CA C 13 59.566 0.3 . 1 . . . . . 28 ARG CA . 27943 1 124 . 1 1 28 28 ARG CB C 13 30.002 0.3 . 1 . . . . . 28 ARG CB . 27943 1 125 . 1 1 28 28 ARG N N 15 122.544 0.3 . 1 . . . . . 28 ARG N . 27943 1 126 . 1 1 29 29 ALA H H 1 7.437 0.020 . 1 . . . . . 29 ALA H . 27943 1 127 . 1 1 29 29 ALA C C 13 176.337 0.3 . 1 . . . . . 29 ALA C . 27943 1 128 . 1 1 29 29 ALA CA C 13 51.697 0.3 . 1 . . . . . 29 ALA CA . 27943 1 129 . 1 1 29 29 ALA CB C 13 21.161 0.3 . 1 . . . . . 29 ALA CB . 27943 1 130 . 1 1 29 29 ALA N N 15 118.893 0.3 . 1 . . . . . 29 ALA N . 27943 1 131 . 1 1 30 30 GLY H H 1 7.831 0.020 . 1 . . . . . 30 GLY H . 27943 1 132 . 1 1 30 30 GLY C C 13 174.921 0.3 . 1 . . . . . 30 GLY C . 27943 1 133 . 1 1 30 30 GLY CA C 13 45.354 0.3 . 1 . . . . . 30 GLY CA . 27943 1 134 . 1 1 30 30 GLY N N 15 105.538 0.3 . 1 . . . . . 30 GLY N . 27943 1 135 . 1 1 31 31 ILE H H 1 7.643 0.020 . 1 . . . . . 31 ILE H . 27943 1 136 . 1 1 31 31 ILE C C 13 175.772 0.3 . 1 . . . . . 31 ILE C . 27943 1 137 . 1 1 31 31 ILE CA C 13 61.296 0.3 . 1 . . . . . 31 ILE CA . 27943 1 138 . 1 1 31 31 ILE CB C 13 38.356 0.3 . 1 . . . . . 31 ILE CB . 27943 1 139 . 1 1 31 31 ILE N N 15 122.953 0.3 . 1 . . . . . 31 ILE N . 27943 1 140 . 1 1 32 32 LYS H H 1 8.589 0.020 . 1 . . . . . 32 LYS H . 27943 1 141 . 1 1 32 32 LYS C C 13 175.737 0.3 . 1 . . . . . 32 LYS C . 27943 1 142 . 1 1 32 32 LYS CA C 13 55.539 0.3 . 1 . . . . . 32 LYS CA . 27943 1 143 . 1 1 32 32 LYS CB C 13 31.819 0.3 . 1 . . . . . 32 LYS CB . 27943 1 144 . 1 1 32 32 LYS N N 15 128.636 0.3 . 1 . . . . . 32 LYS N . 27943 1 145 . 1 1 33 33 VAL H H 1 9.425 0.020 . 1 . . . . . 33 VAL H . 27943 1 146 . 1 1 33 33 VAL C C 13 175.596 0.3 . 1 . . . . . 33 VAL C . 27943 1 147 . 1 1 33 33 VAL CA C 13 60.858 0.3 . 1 . . . . . 33 VAL CA . 27943 1 148 . 1 1 33 33 VAL CB C 13 33.392 0.3 . 1 . . . . . 33 VAL CB . 27943 1 149 . 1 1 33 33 VAL N N 15 131.102 0.3 . 1 . . . . . 33 VAL N . 27943 1 150 . 1 1 34 34 THR H H 1 9.091 0.020 . 1 . . . . . 34 THR H . 27943 1 151 . 1 1 34 34 THR C C 13 172.734 0.3 . 1 . . . . . 34 THR C . 27943 1 152 . 1 1 34 34 THR CA C 13 61.850 0.3 . 1 . . . . . 34 THR CA . 27943 1 153 . 1 1 34 34 THR CB C 13 70.372 0.3 . 1 . . . . . 34 THR CB . 27943 1 154 . 1 1 34 34 THR N N 15 126.143 0.3 . 1 . . . . . 34 THR N . 27943 1 155 . 1 1 35 35 VAL H H 1 10.085 0.020 . 1 . . . . . 35 VAL H . 27943 1 156 . 1 1 35 35 VAL C C 13 174.372 0.3 . 1 . . . . . 35 VAL C . 27943 1 157 . 1 1 35 35 VAL CA C 13 62.242 0.3 . 1 . . . . . 35 VAL CA . 27943 1 158 . 1 1 35 35 VAL CB C 13 30.545 0.3 . 1 . . . . . 35 VAL CB . 27943 1 159 . 1 1 35 35 VAL N N 15 131.171 0.3 . 1 . . . . . 35 VAL N . 27943 1 160 . 1 1 36 36 ALA H H 1 9.149 0.020 . 1 . . . . . 36 ALA H . 27943 1 161 . 1 1 36 36 ALA C C 13 176.478 0.3 . 1 . . . . . 36 ALA C . 27943 1 162 . 1 1 36 36 ALA CA C 13 48.894 0.3 . 1 . . . . . 36 ALA CA . 27943 1 163 . 1 1 36 36 ALA CB C 13 22.273 0.3 . 1 . . . . . 36 ALA CB . 27943 1 164 . 1 1 36 36 ALA N N 15 132.164 0.3 . 1 . . . . . 36 ALA N . 27943 1 165 . 1 1 37 37 GLY H H 1 9.102 0.020 . 1 . . . . . 37 GLY H . 27943 1 166 . 1 1 37 37 GLY C C 13 174.664 0.3 . 1 . . . . . 37 GLY C . 27943 1 167 . 1 1 37 37 GLY CA C 13 44.382 0.3 . 1 . . . . . 37 GLY CA . 27943 1 168 . 1 1 37 37 GLY N N 15 110.092 0.3 . 1 . . . . . 37 GLY N . 27943 1 169 . 1 1 38 38 LEU H H 1 8.397 0.020 . 1 . . . . . 38 LEU H . 27943 1 170 . 1 1 38 38 LEU C C 13 177.214 0.3 . 1 . . . . . 38 LEU C . 27943 1 171 . 1 1 38 38 LEU CA C 13 58.654 0.3 . 1 . . . . . 38 LEU CA . 27943 1 172 . 1 1 38 38 LEU CB C 13 43.210 0.3 . 1 . . . . . 38 LEU CB . 27943 1 173 . 1 1 38 38 LEU N N 15 130.065 0.3 . 1 . . . . . 38 LEU N . 27943 1 174 . 1 1 39 39 ALA H H 1 8.693 0.020 . 1 . . . . . 39 ALA H . 27943 1 175 . 1 1 39 39 ALA C C 13 176.589 0.3 . 1 . . . . . 39 ALA C . 27943 1 176 . 1 1 39 39 ALA CA C 13 51.478 0.3 . 1 . . . . . 39 ALA CA . 27943 1 177 . 1 1 39 39 ALA CB C 13 19.154 0.3 . 1 . . . . . 39 ALA CB . 27943 1 178 . 1 1 39 39 ALA N N 15 118.121 0.3 . 1 . . . . . 39 ALA N . 27943 1 179 . 1 1 40 40 GLY H H 1 7.345 0.020 . 1 . . . . . 40 GLY H . 27943 1 180 . 1 1 40 40 GLY C C 13 173.061 0.3 . 1 . . . . . 40 GLY C . 27943 1 181 . 1 1 40 40 GLY CA C 13 44.821 0.3 . 1 . . . . . 40 GLY CA . 27943 1 182 . 1 1 40 40 GLY N N 15 105.393 0.3 . 1 . . . . . 40 GLY N . 27943 1 183 . 1 1 41 41 LYS H H 1 8.759 0.020 . 1 . . . . . 41 LYS H . 27943 1 184 . 1 1 41 41 LYS C C 13 175.062 0.3 . 1 . . . . . 41 LYS C . 27943 1 185 . 1 1 41 41 LYS CA C 13 55.758 0.3 . 1 . . . . . 41 LYS CA . 27943 1 186 . 1 1 41 41 LYS CB C 13 33.175 0.3 . 1 . . . . . 41 LYS CB . 27943 1 187 . 1 1 41 41 LYS N N 15 120.244 0.3 . 1 . . . . . 41 LYS N . 27943 1 188 . 1 1 42 42 ASP H H 1 7.726 0.020 . 1 . . . . . 42 ASP H . 27943 1 189 . 1 1 42 42 ASP C C 13 172.924 0.3 . 1 . . . . . 42 ASP C . 27943 1 190 . 1 1 42 42 ASP CA C 13 53.612 0.3 . 1 . . . . . 42 ASP CA . 27943 1 191 . 1 1 42 42 ASP CB C 13 39.034 0.3 . 1 . . . . . 42 ASP CB . 27943 1 192 . 1 1 42 42 ASP N N 15 119.340 0.3 . 1 . . . . . 42 ASP N . 27943 1 193 . 1 1 43 43 PRO C C 13 175.944 0.3 . 1 . . . . . 43 PRO C . 27943 1 194 . 1 1 43 43 PRO CA C 13 63.734 0.3 . 1 . . . . . 43 PRO CA . 27943 1 195 . 1 1 43 43 PRO CB C 13 32.633 0.3 . 1 . . . . . 43 PRO CB . 27943 1 196 . 1 1 44 44 VAL H H 1 8.837 0.020 . 1 . . . . . 44 VAL H . 27943 1 197 . 1 1 44 44 VAL C C 13 173.908 0.3 . 1 . . . . . 44 VAL C . 27943 1 198 . 1 1 44 44 VAL CA C 13 62.138 0.3 . 1 . . . . . 44 VAL CA . 27943 1 199 . 1 1 44 44 VAL CB C 13 34.396 0.3 . 1 . . . . . 44 VAL CB . 27943 1 200 . 1 1 44 44 VAL N N 15 124.732 0.3 . 1 . . . . . 44 VAL N . 27943 1 201 . 1 1 45 45 GLN H H 1 8.699 0.020 . 1 . . . . . 45 GLN H . 27943 1 202 . 1 1 45 45 GLN C C 13 175.772 0.3 . 1 . . . . . 45 GLN C . 27943 1 203 . 1 1 45 45 GLN CA C 13 56.116 0.3 . 1 . . . . . 45 GLN CA . 27943 1 204 . 1 1 45 45 GLN CB C 13 28.782 0.3 . 1 . . . . . 45 GLN CB . 27943 1 205 . 1 1 45 45 GLN N N 15 127.734 0.3 . 1 . . . . . 45 GLN N . 27943 1 206 . 1 1 46 46 CYS H H 1 8.804 0.020 . 1 . . . . . 46 CYS H . 27943 1 207 . 1 1 46 46 CYS C C 13 174.739 0.3 . 1 . . . . . 46 CYS C . 27943 1 208 . 1 1 46 46 CYS CA C 13 61.723 0.3 . 1 . . . . . 46 CYS CA . 27943 1 209 . 1 1 46 46 CYS CB C 13 28.054 0.3 . 1 . . . . . 46 CYS CB . 27943 1 210 . 1 1 46 46 CYS N N 15 127.044 0.3 . 1 . . . . . 46 CYS N . 27943 1 211 . 1 1 47 47 SER H H 1 9.072 0.020 . 1 . . . . . 47 SER H . 27943 1 212 . 1 1 47 47 SER C C 13 174.880 0.3 . 1 . . . . . 47 SER C . 27943 1 213 . 1 1 47 47 SER CA C 13 62.185 0.3 . 1 . . . . . 47 SER CA . 27943 1 214 . 1 1 47 47 SER CB C 13 63.324 0.3 . 1 . . . . . 47 SER CB . 27943 1 215 . 1 1 47 47 SER N N 15 118.601 0.3 . 1 . . . . . 47 SER N . 27943 1 216 . 1 1 48 48 ARG H H 1 10.711 0.020 . 1 . . . . . 48 ARG H . 27943 1 217 . 1 1 48 48 ARG C C 13 174.195 0.3 . 1 . . . . . 48 ARG C . 27943 1 218 . 1 1 48 48 ARG CA C 13 55.516 0.3 . 1 . . . . . 48 ARG CA . 27943 1 219 . 1 1 48 48 ARG CB C 13 27.724 0.3 . 1 . . . . . 48 ARG CB . 27943 1 220 . 1 1 48 48 ARG N N 15 129.846 0.3 . 1 . . . . . 48 ARG N . 27943 1 221 . 1 1 49 49 ASP H H 1 7.677 0.020 . 1 . . . . . 49 ASP H . 27943 1 222 . 1 1 49 49 ASP C C 13 176.342 0.3 . 1 . . . . . 49 ASP C . 27943 1 223 . 1 1 49 49 ASP CA C 13 56.716 0.3 . 1 . . . . . 49 ASP CA . 27943 1 224 . 1 1 49 49 ASP CB C 13 38.491 0.3 . 1 . . . . . 49 ASP CB . 27943 1 225 . 1 1 49 49 ASP N N 15 108.668 0.3 . 1 . . . . . 49 ASP N . 27943 1 226 . 1 1 50 50 VAL H H 1 7.881 0.020 . 1 . . . . . 50 VAL H . 27943 1 227 . 1 1 50 50 VAL C C 13 174.306 0.3 . 1 . . . . . 50 VAL C . 27943 1 228 . 1 1 50 50 VAL CA C 13 64.342 0.3 . 1 . . . . . 50 VAL CA . 27943 1 229 . 1 1 50 50 VAL CB C 13 30.762 0.3 . 1 . . . . . 50 VAL CB . 27943 1 230 . 1 1 50 50 VAL N N 15 122.349 0.3 . 1 . . . . . 50 VAL N . 27943 1 231 . 1 1 51 51 VAL H H 1 9.175 0.020 . 1 . . . . . 51 VAL H . 27943 1 232 . 1 1 51 51 VAL C C 13 175.394 0.3 . 1 . . . . . 51 VAL C . 27943 1 233 . 1 1 51 51 VAL CA C 13 61.412 0.3 . 1 . . . . . 51 VAL CA . 27943 1 234 . 1 1 51 51 VAL CB C 13 33.040 0.3 . 1 . . . . . 51 VAL CB . 27943 1 235 . 1 1 51 51 VAL N N 15 131.295 0.3 . 1 . . . . . 51 VAL N . 27943 1 236 . 1 1 52 52 ILE H H 1 8.262 0.020 . 1 . . . . . 52 ILE H . 27943 1 237 . 1 1 52 52 ILE C C 13 176.201 0.3 . 1 . . . . . 52 ILE C . 27943 1 238 . 1 1 52 52 ILE CA C 13 58.723 0.3 . 1 . . . . . 52 ILE CA . 27943 1 239 . 1 1 52 52 ILE CB C 13 41.881 0.3 . 1 . . . . . 52 ILE CB . 27943 1 240 . 1 1 52 52 ILE N N 15 126.526 0.3 . 1 . . . . . 52 ILE N . 27943 1 241 . 1 1 53 53 CYS H H 1 8.527 0.020 . 1 . . . . . 53 CYS H . 27943 1 242 . 1 1 53 53 CYS C C 13 173.004 0.3 . 1 . . . . . 53 CYS C . 27943 1 243 . 1 1 53 53 CYS CA C 13 56.831 0.3 . 1 . . . . . 53 CYS CA . 27943 1 244 . 1 1 53 53 CYS CB C 13 27.614 0.3 . 1 . . . . . 53 CYS CB . 27943 1 245 . 1 1 53 53 CYS N N 15 126.163 0.3 . 1 . . . . . 53 CYS N . 27943 1 246 . 1 1 54 54 PRO C C 13 174.775 0.3 . 1 . . . . . 54 PRO C . 27943 1 247 . 1 1 54 54 PRO CA C 13 62.644 0.3 . 1 . . . . . 54 PRO CA . 27943 1 248 . 1 1 54 54 PRO CB C 13 32.823 0.3 . 1 . . . . . 54 PRO CB . 27943 1 249 . 1 1 55 55 ASP H H 1 8.928 0.020 . 1 . . . . . 55 ASP H . 27943 1 250 . 1 1 55 55 ASP C C 13 176.281 0.3 . 1 . . . . . 55 ASP C . 27943 1 251 . 1 1 55 55 ASP CA C 13 56.947 0.3 . 1 . . . . . 55 ASP CA . 27943 1 252 . 1 1 55 55 ASP CB C 13 42.831 0.3 . 1 . . . . . 55 ASP CB . 27943 1 253 . 1 1 55 55 ASP N N 15 119.244 0.3 . 1 . . . . . 55 ASP N . 27943 1 254 . 1 1 56 56 ALA H H 1 7.722 0.020 . 1 . . . . . 56 ALA H . 27943 1 255 . 1 1 56 56 ALA C C 13 176.533 0.3 . 1 . . . . . 56 ALA C . 27943 1 256 . 1 1 56 56 ALA CA C 13 50.613 0.3 . 1 . . . . . 56 ALA CA . 27943 1 257 . 1 1 56 56 ALA CB C 13 23.385 0.3 . 1 . . . . . 56 ALA CB . 27943 1 258 . 1 1 56 56 ALA N N 15 116.338 0.3 . 1 . . . . . 56 ALA N . 27943 1 259 . 1 1 57 57 SER H H 1 9.361 0.020 . 1 . . . . . 57 SER H . 27943 1 260 . 1 1 57 57 SER C C 13 174.805 0.3 . 1 . . . . . 57 SER C . 27943 1 261 . 1 1 57 57 SER CA C 13 57.097 0.3 . 1 . . . . . 57 SER CA . 27943 1 262 . 1 1 57 57 SER CB C 13 64.405 0.3 . 1 . . . . . 57 SER CB . 27943 1 263 . 1 1 57 57 SER N N 15 116.242 0.3 . 1 . . . . . 57 SER N . 27943 1 264 . 1 1 58 58 LEU H H 1 8.638 0.020 . 1 . . . . . 58 LEU H . 27943 1 265 . 1 1 58 58 LEU C C 13 177.234 0.3 . 1 . . . . . 58 LEU C . 27943 1 266 . 1 1 58 58 LEU CA C 13 58.273 0.3 . 1 . . . . . 58 LEU CA . 27943 1 267 . 1 1 58 58 LEU CB C 13 41.529 0.3 . 1 . . . . . 58 LEU CB . 27943 1 268 . 1 1 58 58 LEU N N 15 124.296 0.3 . 1 . . . . . 58 LEU N . 27943 1 269 . 1 1 59 59 GLU H H 1 8.273 0.020 . 1 . . . . . 59 GLU H . 27943 1 270 . 1 1 59 59 GLU C C 13 178.136 0.3 . 1 . . . . . 59 GLU C . 27943 1 271 . 1 1 59 59 GLU CA C 13 59.669 0.3 . 1 . . . . . 59 GLU CA . 27943 1 272 . 1 1 59 59 GLU CB C 13 29.378 0.3 . 1 . . . . . 59 GLU CB . 27943 1 273 . 1 1 59 59 GLU N N 15 117.832 0.3 . 1 . . . . . 59 GLU N . 27943 1 274 . 1 1 60 60 ASP H H 1 7.540 0.020 . 1 . . . . . 60 ASP H . 27943 1 275 . 1 1 60 60 ASP C C 13 179.249 0.3 . 1 . . . . . 60 ASP C . 27943 1 276 . 1 1 60 60 ASP CA C 13 56.785 0.3 . 1 . . . . . 60 ASP CA . 27943 1 277 . 1 1 60 60 ASP CB C 13 40.146 0.3 . 1 . . . . . 60 ASP CB . 27943 1 278 . 1 1 60 60 ASP N N 15 117.935 0.3 . 1 . . . . . 60 ASP N . 27943 1 279 . 1 1 61 61 ALA H H 1 8.623 0.020 . 1 . . . . . 61 ALA H . 27943 1 280 . 1 1 61 61 ALA C C 13 182.343 0.3 . 1 . . . . . 61 ALA C . 27943 1 281 . 1 1 61 61 ALA CA C 13 54.547 0.3 . 1 . . . . . 61 ALA CA . 27943 1 282 . 1 1 61 61 ALA CB C 13 18.828 0.3 . 1 . . . . . 61 ALA CB . 27943 1 283 . 1 1 61 61 ALA N N 15 122.211 0.3 . 1 . . . . . 61 ALA N . 27943 1 284 . 1 1 62 62 LYS H H 1 8.824 0.020 . 1 . . . . . 62 LYS H . 27943 1 285 . 1 1 62 62 LYS C C 13 177.657 0.3 . 1 . . . . . 62 LYS C . 27943 1 286 . 1 1 62 62 LYS CA C 13 59.484 0.3 . 1 . . . . . 62 LYS CA . 27943 1 287 . 1 1 62 62 LYS CB C 13 32.145 0.3 . 1 . . . . . 62 LYS CB . 27943 1 288 . 1 1 62 62 LYS N N 15 120.600 0.3 . 1 . . . . . 62 LYS N . 27943 1 289 . 1 1 63 63 LYS H H 1 7.211 0.020 . 1 . . . . . 63 LYS H . 27943 1 290 . 1 1 63 63 LYS C C 13 176.947 0.3 . 1 . . . . . 63 LYS C . 27943 1 291 . 1 1 63 63 LYS CA C 13 57.685 0.3 . 1 . . . . . 63 LYS CA . 27943 1 292 . 1 1 63 63 LYS CB C 13 32.660 0.3 . 1 . . . . . 63 LYS CB . 27943 1 293 . 1 1 63 63 LYS N N 15 117.267 0.3 . 1 . . . . . 63 LYS N . 27943 1 294 . 1 1 64 64 GLU H H 1 7.169 0.020 . 1 . . . . . 64 GLU H . 27943 1 295 . 1 1 64 64 GLU C C 13 175.762 0.3 . 1 . . . . . 64 GLU C . 27943 1 296 . 1 1 64 64 GLU CA C 13 55.066 0.3 . 1 . . . . . 64 GLU CA . 27943 1 297 . 1 1 64 64 GLU CB C 13 29.921 0.3 . 1 . . . . . 64 GLU CB . 27943 1 298 . 1 1 64 64 GLU N N 15 116.568 0.3 . 1 . . . . . 64 GLU N . 27943 1 299 . 1 1 65 65 GLY H H 1 7.231 0.020 . 1 . . . . . 65 GLY H . 27943 1 300 . 1 1 65 65 GLY C C 13 171.524 0.3 . 1 . . . . . 65 GLY C . 27943 1 301 . 1 1 65 65 GLY CA C 13 44.336 0.3 . 1 . . . . . 65 GLY CA . 27943 1 302 . 1 1 65 65 GLY N N 15 106.194 0.3 . 1 . . . . . 65 GLY N . 27943 1 303 . 1 1 66 66 PRO C C 13 175.153 0.3 . 1 . . . . . 66 PRO C . 27943 1 304 . 1 1 66 66 PRO CA C 13 62.164 0.3 . 1 . . . . . 66 PRO CA . 27943 1 305 . 1 1 66 66 PRO CB C 13 35.047 0.3 . 1 . . . . . 66 PRO CB . 27943 1 306 . 1 1 67 67 TYR H H 1 9.374 0.020 . 1 . . . . . 67 TYR H . 27943 1 307 . 1 1 67 67 TYR C C 13 175.464 0.3 . 1 . . . . . 67 TYR C . 27943 1 308 . 1 1 67 67 TYR CA C 13 57.939 0.3 . 1 . . . . . 67 TYR CA . 27943 1 309 . 1 1 67 67 TYR CB C 13 40.417 0.3 . 1 . . . . . 67 TYR CB . 27943 1 310 . 1 1 67 67 TYR N N 15 118.347 0.3 . 1 . . . . . 67 TYR N . 27943 1 311 . 1 1 68 68 ASP H H 1 8.707 0.020 . 1 . . . . . 68 ASP H . 27943 1 312 . 1 1 68 68 ASP C C 13 175.692 0.3 . 1 . . . . . 68 ASP C . 27943 1 313 . 1 1 68 68 ASP CA C 13 57.270 0.3 . 1 . . . . . 68 ASP CA . 27943 1 314 . 1 1 68 68 ASP CB C 13 42.803 0.3 . 1 . . . . . 68 ASP CB . 27943 1 315 . 1 1 68 68 ASP N N 15 122.408 0.3 . 1 . . . . . 68 ASP N . 27943 1 316 . 1 1 69 69 VAL H H 1 7.648 0.020 . 1 . . . . . 69 VAL H . 27943 1 317 . 1 1 69 69 VAL C C 13 171.398 0.3 . 1 . . . . . 69 VAL C . 27943 1 318 . 1 1 69 69 VAL CA C 13 59.266 0.3 . 1 . . . . . 69 VAL CA . 27943 1 319 . 1 1 69 69 VAL CB C 13 34.016 0.3 . 1 . . . . . 69 VAL CB . 27943 1 320 . 1 1 69 69 VAL N N 15 111.601 0.3 . 1 . . . . . 69 VAL N . 27943 1 321 . 1 1 70 70 VAL H H 1 7.497 0.020 . 1 . . . . . 70 VAL H . 27943 1 322 . 1 1 70 70 VAL C C 13 173.480 0.3 . 1 . . . . . 70 VAL C . 27943 1 323 . 1 1 70 70 VAL CA C 13 61.158 0.3 . 1 . . . . . 70 VAL CA . 27943 1 324 . 1 1 70 70 VAL CB C 13 34.314 0.3 . 1 . . . . . 70 VAL CB . 27943 1 325 . 1 1 70 70 VAL N N 15 127.879 0.3 . 1 . . . . . 70 VAL N . 27943 1 326 . 1 1 71 71 VAL H H 1 9.391 0.020 . 1 . . . . . 71 VAL H . 27943 1 327 . 1 1 71 71 VAL C C 13 174.251 0.3 . 1 . . . . . 71 VAL C . 27943 1 328 . 1 1 71 71 VAL CA C 13 60.904 0.3 . 1 . . . . . 71 VAL CA . 27943 1 329 . 1 1 71 71 VAL CB C 13 33.799 0.3 . 1 . . . . . 71 VAL CB . 27943 1 330 . 1 1 71 71 VAL N N 15 126.532 0.3 . 1 . . . . . 71 VAL N . 27943 1 331 . 1 1 72 72 LEU H H 1 9.296 0.020 . 1 . . . . . 72 LEU H . 27943 1 332 . 1 1 72 72 LEU C C 13 174.004 0.3 . 1 . . . . . 72 LEU C . 27943 1 333 . 1 1 72 72 LEU CA C 13 50.624 0.3 . 1 . . . . . 72 LEU CA . 27943 1 334 . 1 1 72 72 LEU CB C 13 40.674 0.3 . 1 . . . . . 72 LEU CB . 27943 1 335 . 1 1 72 72 LEU N N 15 126.476 0.3 . 1 . . . . . 72 LEU N . 27943 1 336 . 1 1 73 73 PRO C C 13 174.417 0.3 . 1 . . . . . 73 PRO C . 27943 1 337 . 1 1 73 73 PRO CA C 13 61.734 0.3 . 1 . . . . . 73 PRO CA . 27943 1 338 . 1 1 73 73 PRO CB C 13 33.094 0.3 . 1 . . . . . 73 PRO CB . 27943 1 339 . 1 1 74 74 GLY H H 1 6.863 0.020 . 1 . . . . . 74 GLY H . 27943 1 340 . 1 1 74 74 GLY C C 13 177.244 0.3 . 1 . . . . . 74 GLY C . 27943 1 341 . 1 1 74 74 GLY CA C 13 45.755 0.3 . 1 . . . . . 74 GLY CA . 27943 1 342 . 1 1 74 74 GLY N N 15 105.811 0.3 . 1 . . . . . 74 GLY N . 27943 1 343 . 1 1 75 75 GLY H H 1 9.173 0.020 . 1 . . . . . 75 GLY H . 27943 1 344 . 1 1 75 75 GLY C C 13 177.414 0.3 . 1 . . . . . 75 GLY C . 27943 1 345 . 1 1 75 75 GLY CA C 13 44.404 0.3 . 1 . . . . . 75 GLY CA . 27943 1 346 . 1 1 75 75 GLY N N 15 116.621 0.3 . 1 . . . . . 75 GLY N . 27943 1 347 . 1 1 77 77 LEU H H 1 9.025 0.020 . 1 . . . . . 77 LEU H . 27943 1 348 . 1 1 77 77 LEU C C 13 178.559 0.3 . 1 . . . . . 77 LEU C . 27943 1 349 . 1 1 77 77 LEU CA C 13 57.194 0.3 . 1 . . . . . 77 LEU CA . 27943 1 350 . 1 1 77 77 LEU CB C 13 41.068 0.3 . 1 . . . . . 77 LEU CB . 27943 1 351 . 1 1 77 77 LEU N N 15 121.041 0.3 . 1 . . . . . 77 LEU N . 27943 1 352 . 1 1 78 78 GLY H H 1 6.466 0.020 . 1 . . . . . 78 GLY H . 27943 1 353 . 1 1 78 78 GLY C C 13 175.389 0.3 . 1 . . . . . 78 GLY C . 27943 1 354 . 1 1 78 78 GLY CA C 13 48.191 0.3 . 1 . . . . . 78 GLY CA . 27943 1 355 . 1 1 78 78 GLY N N 15 106.379 0.3 . 1 . . . . . 78 GLY N . 27943 1 356 . 1 1 79 79 ALA H H 1 8.420 0.020 . 1 . . . . . 79 ALA H . 27943 1 357 . 1 1 79 79 ALA C C 13 180.363 0.3 . 1 . . . . . 79 ALA C . 27943 1 358 . 1 1 79 79 ALA CA C 13 55.324 0.3 . 1 . . . . . 79 ALA CA . 27943 1 359 . 1 1 79 79 ALA CB C 13 18.069 0.3 . 1 . . . . . 79 ALA CB . 27943 1 360 . 1 1 79 79 ALA N N 15 121.058 0.3 . 1 . . . . . 79 ALA N . 27943 1 361 . 1 1 80 80 GLN H H 1 7.743 0.020 . 1 . . . . . 80 GLN H . 27943 1 362 . 1 1 80 80 GLN C C 13 178.105 0.3 . 1 . . . . . 80 GLN C . 27943 1 363 . 1 1 80 80 GLN CA C 13 59.369 0.3 . 1 . . . . . 80 GLN CA . 27943 1 364 . 1 1 80 80 GLN CB C 13 28.077 0.3 . 1 . . . . . 80 GLN CB . 27943 1 365 . 1 1 80 80 GLN N N 15 121.826 0.3 . 1 . . . . . 80 GLN N . 27943 1 366 . 1 1 81 81 ASN H H 1 8.261 0.020 . 1 . . . . . 81 ASN H . 27943 1 367 . 1 1 81 81 ASN C C 13 179.390 0.3 . 1 . . . . . 81 ASN C . 27943 1 368 . 1 1 81 81 ASN CA C 13 56.454 0.3 . 1 . . . . . 81 ASN CA . 27943 1 369 . 1 1 81 81 ASN CB C 13 38.166 0.3 . 1 . . . . . 81 ASN CB . 27943 1 370 . 1 1 81 81 ASN N N 15 118.034 0.3 . 1 . . . . . 81 ASN N . 27943 1 371 . 1 1 82 82 LEU H H 1 8.617 0.020 . 1 . . . . . 82 LEU H . 27943 1 372 . 1 1 82 82 LEU C C 13 180.071 0.3 . 1 . . . . . 82 LEU C . 27943 1 373 . 1 1 82 82 LEU CA C 13 58.331 0.3 . 1 . . . . . 82 LEU CA . 27943 1 374 . 1 1 82 82 LEU CB C 13 43.020 0.3 . 1 . . . . . 82 LEU CB . 27943 1 375 . 1 1 82 82 LEU N N 15 118.870 0.3 . 1 . . . . . 82 LEU N . 27943 1 376 . 1 1 83 83 SER H H 1 8.197 0.020 . 1 . . . . . 83 SER H . 27943 1 377 . 1 1 83 83 SER C C 13 172.799 0.3 . 1 . . . . . 83 SER C . 27943 1 378 . 1 1 83 83 SER CA C 13 62.554 0.3 . 1 . . . . . 83 SER CA . 27943 1 379 . 1 1 83 83 SER CB C 13 63.195 0.3 . 1 . . . . . 83 SER CB . 27943 1 380 . 1 1 83 83 SER N N 15 116.155 0.3 . 1 . . . . . 83 SER N . 27943 1 381 . 1 1 84 84 GLU H H 1 7.293 0.020 . 1 . . . . . 84 GLU H . 27943 1 382 . 1 1 84 84 GLU C C 13 176.523 0.3 . 1 . . . . . 84 GLU C . 27943 1 383 . 1 1 84 84 GLU CA C 13 56.300 0.3 . 1 . . . . . 84 GLU CA . 27943 1 384 . 1 1 84 84 GLU CB C 13 30.664 0.3 . 1 . . . . . 84 GLU CB . 27943 1 385 . 1 1 84 84 GLU N N 15 117.259 0.3 . 1 . . . . . 84 GLU N . 27943 1 386 . 1 1 85 85 SER H H 1 6.885 0.020 . 1 . . . . . 85 SER H . 27943 1 387 . 1 1 85 85 SER C C 13 175.581 0.3 . 1 . . . . . 85 SER C . 27943 1 388 . 1 1 85 85 SER CA C 13 57.131 0.3 . 1 . . . . . 85 SER CA . 27943 1 389 . 1 1 85 85 SER CB C 13 63.244 0.3 . 1 . . . . . 85 SER CB . 27943 1 390 . 1 1 85 85 SER N N 15 111.740 0.3 . 1 . . . . . 85 SER N . 27943 1 391 . 1 1 86 86 ALA H H 1 9.063 0.020 . 1 . . . . . 86 ALA H . 27943 1 392 . 1 1 86 86 ALA C C 13 179.527 0.3 . 1 . . . . . 86 ALA C . 27943 1 393 . 1 1 86 86 ALA CA C 13 54.554 0.3 . 1 . . . . . 86 ALA CA . 27943 1 394 . 1 1 86 86 ALA CB C 13 18.105 0.3 . 1 . . . . . 86 ALA CB . 27943 1 395 . 1 1 86 86 ALA N N 15 134.063 0.3 . 1 . . . . . 86 ALA N . 27943 1 396 . 1 1 87 87 ALA H H 1 7.849 0.020 . 1 . . . . . 87 ALA H . 27943 1 397 . 1 1 87 87 ALA C C 13 180.368 0.3 . 1 . . . . . 87 ALA C . 27943 1 398 . 1 1 87 87 ALA CA C 13 54.584 0.3 . 1 . . . . . 87 ALA CA . 27943 1 399 . 1 1 87 87 ALA CB C 13 18.477 0.3 . 1 . . . . . 87 ALA CB . 27943 1 400 . 1 1 87 87 ALA N N 15 121.432 0.3 . 1 . . . . . 87 ALA N . 27943 1 401 . 1 1 88 88 VAL H H 1 7.502 0.020 . 1 . . . . . 88 VAL H . 27943 1 402 . 1 1 88 88 VAL C C 13 176.564 0.3 . 1 . . . . . 88 VAL C . 27943 1 403 . 1 1 88 88 VAL CA C 13 66.361 0.3 . 1 . . . . . 88 VAL CA . 27943 1 404 . 1 1 88 88 VAL CB C 13 31.147 0.3 . 1 . . . . . 88 VAL CB . 27943 1 405 . 1 1 88 88 VAL N N 15 118.434 0.3 . 1 . . . . . 88 VAL N . 27943 1 406 . 1 1 89 89 LYS H H 1 7.013 0.020 . 1 . . . . . 89 LYS H . 27943 1 407 . 1 1 89 89 LYS C C 13 177.269 0.3 . 1 . . . . . 89 LYS C . 27943 1 408 . 1 1 89 89 LYS CA C 13 60.927 0.3 . 1 . . . . . 89 LYS CA . 27943 1 409 . 1 1 89 89 LYS CB C 13 31.395 0.3 . 1 . . . . . 89 LYS CB . 27943 1 410 . 1 1 89 89 LYS N N 15 120.474 0.3 . 1 . . . . . 89 LYS N . 27943 1 411 . 1 1 90 90 GLU H H 1 7.462 0.020 . 1 . . . . . 90 GLU H . 27943 1 412 . 1 1 90 90 GLU C C 13 179.542 0.3 . 1 . . . . . 90 GLU C . 27943 1 413 . 1 1 90 90 GLU CA C 13 59.416 0.3 . 1 . . . . . 90 GLU CA . 27943 1 414 . 1 1 90 90 GLU CB C 13 29.833 0.3 . 1 . . . . . 90 GLU CB . 27943 1 415 . 1 1 90 90 GLU N N 15 115.116 0.3 . 1 . . . . . 90 GLU N . 27943 1 416 . 1 1 91 91 ILE H H 1 7.650 0.020 . 1 . . . . . 91 ILE H . 27943 1 417 . 1 1 91 91 ILE C C 13 178.564 0.3 . 1 . . . . . 91 ILE C . 27943 1 418 . 1 1 91 91 ILE CA C 13 63.994 0.3 . 1 . . . . . 91 ILE CA . 27943 1 419 . 1 1 91 91 ILE CB C 13 38.338 0.3 . 1 . . . . . 91 ILE CB . 27943 1 420 . 1 1 91 91 ILE N N 15 119.236 0.3 . 1 . . . . . 91 ILE N . 27943 1 421 . 1 1 92 92 LEU H H 1 8.503 0.020 . 1 . . . . . 92 LEU H . 27943 1 422 . 1 1 92 92 LEU C C 13 178.443 0.3 . 1 . . . . . 92 LEU C . 27943 1 423 . 1 1 92 92 LEU CA C 13 57.777 0.3 . 1 . . . . . 92 LEU CA . 27943 1 424 . 1 1 92 92 LEU CB C 13 42.107 0.3 . 1 . . . . . 92 LEU CB . 27943 1 425 . 1 1 92 92 LEU N N 15 119.505 0.3 . 1 . . . . . 92 LEU N . 27943 1 426 . 1 1 93 93 LYS H H 1 8.668 0.020 . 1 . . . . . 93 LYS H . 27943 1 427 . 1 1 93 93 LYS C C 13 179.693 0.3 . 1 . . . . . 93 LYS C . 27943 1 428 . 1 1 93 93 LYS CA C 13 58.539 0.3 . 1 . . . . . 93 LYS CA . 27943 1 429 . 1 1 93 93 LYS CB C 13 31.792 0.3 . 1 . . . . . 93 LYS CB . 27943 1 430 . 1 1 93 93 LYS N N 15 119.731 0.3 . 1 . . . . . 93 LYS N . 27943 1 431 . 1 1 94 94 GLU H H 1 7.957 0.020 . 1 . . . . . 94 GLU H . 27943 1 432 . 1 1 94 94 GLU C C 13 178.680 0.3 . 1 . . . . . 94 GLU C . 27943 1 433 . 1 1 94 94 GLU CA C 13 59.427 0.3 . 1 . . . . . 94 GLU CA . 27943 1 434 . 1 1 94 94 GLU CB C 13 29.460 0.3 . 1 . . . . . 94 GLU CB . 27943 1 435 . 1 1 94 94 GLU N N 15 119.618 0.3 . 1 . . . . . 94 GLU N . 27943 1 436 . 1 1 95 95 GLN H H 1 8.167 0.020 . 1 . . . . . 95 GLN H . 27943 1 437 . 1 1 95 95 GLN C C 13 178.277 0.3 . 1 . . . . . 95 GLN C . 27943 1 438 . 1 1 95 95 GLN CA C 13 58.400 0.3 . 1 . . . . . 95 GLN CA . 27943 1 439 . 1 1 95 95 GLN CB C 13 27.805 0.3 . 1 . . . . . 95 GLN CB . 27943 1 440 . 1 1 95 95 GLN N N 15 120.926 0.3 . 1 . . . . . 95 GLN N . 27943 1 441 . 1 1 96 96 GLU H H 1 8.680 0.020 . 1 . . . . . 96 GLU H . 27943 1 442 . 1 1 96 96 GLU C C 13 180.570 0.3 . 1 . . . . . 96 GLU C . 27943 1 443 . 1 1 96 96 GLU CA C 13 59.508 0.3 . 1 . . . . . 96 GLU CA . 27943 1 444 . 1 1 96 96 GLU CB C 13 30.246 0.3 . 1 . . . . . 96 GLU CB . 27943 1 445 . 1 1 96 96 GLU N N 15 119.972 0.3 . 1 . . . . . 96 GLU N . 27943 1 446 . 1 1 97 97 ASN H H 1 8.392 0.020 . 1 . . . . . 97 ASN H . 27943 1 447 . 1 1 97 97 ASN C C 13 176.876 0.3 . 1 . . . . . 97 ASN C . 27943 1 448 . 1 1 97 97 ASN CA C 13 56.304 0.3 . 1 . . . . . 97 ASN CA . 27943 1 449 . 1 1 97 97 ASN CB C 13 38.762 0.3 . 1 . . . . . 97 ASN CB . 27943 1 450 . 1 1 97 97 ASN N N 15 119.084 0.3 . 1 . . . . . 97 ASN N . 27943 1 451 . 1 1 98 98 ARG H H 1 8.021 0.020 . 1 . . . . . 98 ARG H . 27943 1 452 . 1 1 98 98 ARG C C 13 175.329 0.3 . 1 . . . . . 98 ARG C . 27943 1 453 . 1 1 98 98 ARG CA C 13 55.654 0.3 . 1 . . . . . 98 ARG CA . 27943 1 454 . 1 1 98 98 ARG CB C 13 30.382 0.3 . 1 . . . . . 98 ARG CB . 27943 1 455 . 1 1 98 98 ARG N N 15 116.369 0.3 . 1 . . . . . 98 ARG N . 27943 1 456 . 1 1 99 99 LYS H H 1 7.914 0.020 . 1 . . . . . 99 LYS H . 27943 1 457 . 1 1 99 99 LYS C C 13 175.803 0.3 . 1 . . . . . 99 LYS C . 27943 1 458 . 1 1 99 99 LYS CA C 13 57.364 0.3 . 1 . . . . . 99 LYS CA . 27943 1 459 . 1 1 99 99 LYS CB C 13 28.266 0.3 . 1 . . . . . 99 LYS CB . 27943 1 460 . 1 1 99 99 LYS N N 15 115.844 0.3 . 1 . . . . . 99 LYS N . 27943 1 461 . 1 1 100 100 GLY H H 1 8.327 0.020 . 1 . . . . . 100 GLY H . 27943 1 462 . 1 1 100 100 GLY C C 13 171.857 0.3 . 1 . . . . . 100 GLY C . 27943 1 463 . 1 1 100 100 GLY CA C 13 43.584 0.3 . 1 . . . . . 100 GLY CA . 27943 1 464 . 1 1 100 100 GLY N N 15 105.614 0.3 . 1 . . . . . 100 GLY N . 27943 1 465 . 1 1 101 101 LEU H H 1 7.153 0.020 . 1 . . . . . 101 LEU H . 27943 1 466 . 1 1 101 101 LEU C C 13 177.531 0.3 . 1 . . . . . 101 LEU C . 27943 1 467 . 1 1 101 101 LEU CA C 13 56.004 0.3 . 1 . . . . . 101 LEU CA . 27943 1 468 . 1 1 101 101 LEU CB C 13 43.400 0.3 . 1 . . . . . 101 LEU CB . 27943 1 469 . 1 1 101 101 LEU N N 15 118.708 0.3 . 1 . . . . . 101 LEU N . 27943 1 470 . 1 1 102 102 ILE H H 1 9.010 0.020 . 1 . . . . . 102 ILE H . 27943 1 471 . 1 1 102 102 ILE C C 13 172.406 0.3 . 1 . . . . . 102 ILE C . 27943 1 472 . 1 1 102 102 ILE CA C 13 61.688 0.3 . 1 . . . . . 102 ILE CA . 27943 1 473 . 1 1 102 102 ILE CB C 13 40.986 0.3 . 1 . . . . . 102 ILE CB . 27943 1 474 . 1 1 102 102 ILE N N 15 127.752 0.3 . 1 . . . . . 102 ILE N . 27943 1 475 . 1 1 103 103 ALA H H 1 9.144 0.020 . 1 . . . . . 103 ALA H . 27943 1 476 . 1 1 103 103 ALA C C 13 175.722 0.3 . 1 . . . . . 103 ALA C . 27943 1 477 . 1 1 103 103 ALA CA C 13 48.664 0.3 . 1 . . . . . 103 ALA CA . 27943 1 478 . 1 1 103 103 ALA CB C 13 22.951 0.3 . 1 . . . . . 103 ALA CB . 27943 1 479 . 1 1 103 103 ALA N N 15 129.184 0.3 . 1 . . . . . 103 ALA N . 27943 1 480 . 1 1 104 104 ALA H H 1 9.407 0.020 . 1 . . . . . 104 ALA H . 27943 1 481 . 1 1 104 104 ALA C C 13 173.611 0.3 . 1 . . . . . 104 ALA C . 27943 1 482 . 1 1 104 104 ALA CA C 13 50.509 0.3 . 1 . . . . . 104 ALA CA . 27943 1 483 . 1 1 104 104 ALA CB C 13 23.059 0.3 . 1 . . . . . 104 ALA CB . 27943 1 484 . 1 1 104 104 ALA N N 15 124.384 0.3 . 1 . . . . . 104 ALA N . 27943 1 485 . 1 1 105 105 ILE H H 1 7.653 0.020 . 1 . . . . . 105 ILE H . 27943 1 486 . 1 1 105 105 ILE C C 13 173.444 0.3 . 1 . . . . . 105 ILE C . 27943 1 487 . 1 1 105 105 ILE CA C 13 57.420 0.3 . 1 . . . . . 105 ILE CA . 27943 1 488 . 1 1 105 105 ILE CB C 13 40.986 0.3 . 1 . . . . . 105 ILE CB . 27943 1 489 . 1 1 105 105 ILE N N 15 117.409 0.3 . 1 . . . . . 105 ILE N . 27943 1 490 . 1 1 106 106 CYS H H 1 8.318 0.020 . 1 . . . . . 106 CYS H . 27943 1 491 . 1 1 106 106 CYS C C 13 177.604 0.3 . 1 . . . . . 106 CYS C . 27943 1 492 . 1 1 106 106 CYS CA C 13 61.890 0.3 . 1 . . . . . 106 CYS CA . 27943 1 493 . 1 1 106 106 CYS CB C 13 27.624 0.3 . 1 . . . . . 106 CYS CB . 27943 1 494 . 1 1 106 106 CYS N N 15 130.387 0.3 . 1 . . . . . 106 CYS N . 27943 1 495 . 1 1 107 107 ALA C C 13 179.194 0.3 . 1 . . . . . 107 ALA C . 27943 1 496 . 1 1 107 107 ALA CA C 13 52.374 0.3 . 1 . . . . . 107 ALA CA . 27943 1 497 . 1 1 107 107 ALA CB C 13 18.910 0.3 . 1 . . . . . 107 ALA CB . 27943 1 498 . 1 1 108 108 GLY H H 1 9.166 0.020 . 1 . . . . . 108 GLY H . 27943 1 499 . 1 1 108 108 GLY C C 13 172.544 0.3 . 1 . . . . . 108 GLY C . 27943 1 500 . 1 1 108 108 GLY CA C 13 48.917 0.3 . 1 . . . . . 108 GLY CA . 27943 1 501 . 1 1 108 108 GLY N N 15 112.336 0.3 . 1 . . . . . 108 GLY N . 27943 1 502 . 1 1 109 109 PRO C C 13 176.926 0.3 . 1 . . . . . 109 PRO C . 27943 1 503 . 1 1 109 109 PRO CA C 13 65.564 0.3 . 1 . . . . . 109 PRO CA . 27943 1 504 . 1 1 109 109 PRO CB C 13 30.843 0.3 . 1 . . . . . 109 PRO CB . 27943 1 505 . 1 1 110 110 THR H H 1 7.996 0.020 . 1 . . . . . 110 THR H . 27943 1 506 . 1 1 110 110 THR C C 13 177.017 0.3 . 1 . . . . . 110 THR C . 27943 1 507 . 1 1 110 110 THR CA C 13 65.519 0.3 . 1 . . . . . 110 THR CA . 27943 1 508 . 1 1 110 110 THR CB C 13 68.535 0.3 . 1 . . . . . 110 THR CB . 27943 1 509 . 1 1 110 110 THR N N 15 106.809 0.3 . 1 . . . . . 110 THR N . 27943 1 510 . 1 1 111 111 ALA H H 1 7.927 0.020 . 1 . . . . . 111 ALA H . 27943 1 511 . 1 1 111 111 ALA C C 13 178.866 0.3 . 1 . . . . . 111 ALA C . 27943 1 512 . 1 1 111 111 ALA CA C 13 54.224 0.3 . 1 . . . . . 111 ALA CA . 27943 1 513 . 1 1 111 111 ALA CB C 13 17.933 0.3 . 1 . . . . . 111 ALA CB . 27943 1 514 . 1 1 111 111 ALA N N 15 125.209 0.3 . 1 . . . . . 111 ALA N . 27943 1 515 . 1 1 112 112 LEU H H 1 7.499 0.020 . 1 . . . . . 112 LEU H . 27943 1 516 . 1 1 112 112 LEU C C 13 178.196 0.3 . 1 . . . . . 112 LEU C . 27943 1 517 . 1 1 112 112 LEU CA C 13 57.789 0.3 . 1 . . . . . 112 LEU CA . 27943 1 518 . 1 1 112 112 LEU CB C 13 38.979 0.3 . 1 . . . . . 112 LEU CB . 27943 1 519 . 1 1 112 112 LEU N N 15 115.100 0.3 . 1 . . . . . 112 LEU N . 27943 1 520 . 1 1 113 113 LEU H H 1 6.475 0.020 . 1 . . . . . 113 LEU H . 27943 1 521 . 1 1 113 113 LEU C C 13 180.287 0.3 . 1 . . . . . 113 LEU C . 27943 1 522 . 1 1 113 113 LEU CA C 13 58.204 0.3 . 1 . . . . . 113 LEU CA . 27943 1 523 . 1 1 113 113 LEU CB C 13 41.393 0.3 . 1 . . . . . 113 LEU CB . 27943 1 524 . 1 1 113 113 LEU N N 15 119.121 0.3 . 1 . . . . . 113 LEU N . 27943 1 525 . 1 1 114 114 ALA H H 1 7.406 0.020 . 1 . . . . . 114 ALA H . 27943 1 526 . 1 1 114 114 ALA C C 13 178.564 0.3 . 1 . . . . . 114 ALA C . 27943 1 527 . 1 1 114 114 ALA CA C 13 54.835 0.3 . 1 . . . . . 114 ALA CA . 27943 1 528 . 1 1 114 114 ALA CB C 13 18.584 0.3 . 1 . . . . . 114 ALA CB . 27943 1 529 . 1 1 114 114 ALA N N 15 121.049 0.3 . 1 . . . . . 114 ALA N . 27943 1 530 . 1 1 115 115 HIS H H 1 7.136 0.020 . 1 . . . . . 115 HIS H . 27943 1 531 . 1 1 115 115 HIS C C 13 173.127 0.3 . 1 . . . . . 115 HIS C . 27943 1 532 . 1 1 115 115 HIS CA C 13 54.951 0.3 . 1 . . . . . 115 HIS CA . 27943 1 533 . 1 1 115 115 HIS CB C 13 31.141 0.3 . 1 . . . . . 115 HIS CB . 27943 1 534 . 1 1 115 115 HIS N N 15 111.918 0.3 . 1 . . . . . 115 HIS N . 27943 1 535 . 1 1 116 116 GLU H H 1 7.853 0.020 . 1 . . . . . 116 GLU H . 27943 1 536 . 1 1 116 116 GLU C C 13 175.087 0.3 . 1 . . . . . 116 GLU C . 27943 1 537 . 1 1 116 116 GLU CA C 13 56.453 0.3 . 1 . . . . . 116 GLU CA . 27943 1 538 . 1 1 116 116 GLU CB C 13 26.151 0.3 . 1 . . . . . 116 GLU CB . 27943 1 539 . 1 1 116 116 GLU N N 15 116.155 0.3 . 1 . . . . . 116 GLU N . 27943 1 540 . 1 1 117 117 ILE H H 1 8.741 0.020 . 1 . . . . . 117 ILE H . 27943 1 541 . 1 1 117 117 ILE C C 13 177.551 0.3 . 1 . . . . . 117 ILE C . 27943 1 542 . 1 1 117 117 ILE CA C 13 57.146 0.3 . 1 . . . . . 117 ILE CA . 27943 1 543 . 1 1 117 117 ILE CB C 13 37.054 0.3 . 1 . . . . . 117 ILE CB . 27943 1 544 . 1 1 117 117 ILE N N 15 120.747 0.3 . 1 . . . . . 117 ILE N . 27943 1 545 . 1 1 118 118 GLY H H 1 9.123 0.020 . 1 . . . . . 118 GLY H . 27943 1 546 . 1 1 118 118 GLY C C 13 175.445 0.3 . 1 . . . . . 118 GLY C . 27943 1 547 . 1 1 118 118 GLY CA C 13 47.104 0.3 . 1 . . . . . 118 GLY CA . 27943 1 548 . 1 1 118 118 GLY N N 15 115.973 0.3 . 1 . . . . . 118 GLY N . 27943 1 549 . 1 1 119 119 PHE H H 1 8.652 0.020 . 1 . . . . . 119 PHE H . 27943 1 550 . 1 1 119 119 PHE C C 13 177.798 0.3 . 1 . . . . . 119 PHE C . 27943 1 551 . 1 1 119 119 PHE CA C 13 56.704 0.3 . 1 . . . . . 119 PHE CA . 27943 1 552 . 1 1 119 119 PHE CB C 13 35.399 0.3 . 1 . . . . . 119 PHE CB . 27943 1 553 . 1 1 119 119 PHE N N 15 120.924 0.3 . 1 . . . . . 119 PHE N . 27943 1 554 . 1 1 120 120 GLY H H 1 9.165 0.020 . 1 . . . . . 120 GLY H . 27943 1 555 . 1 1 120 120 GLY C C 13 175.269 0.3 . 1 . . . . . 120 GLY C . 27943 1 556 . 1 1 120 120 GLY CA C 13 44.232 0.3 . 1 . . . . . 120 GLY CA . 27943 1 557 . 1 1 120 120 GLY N N 15 110.828 0.3 . 1 . . . . . 120 GLY N . 27943 1 558 . 1 1 121 121 SER H H 1 8.113 0.020 . 1 . . . . . 121 SER H . 27943 1 559 . 1 1 121 121 SER C C 13 172.326 0.3 . 1 . . . . . 121 SER C . 27943 1 560 . 1 1 121 121 SER CA C 13 59.739 0.3 . 1 . . . . . 121 SER CA . 27943 1 561 . 1 1 121 121 SER CB C 13 64.433 0.3 . 1 . . . . . 121 SER CB . 27943 1 562 . 1 1 121 121 SER N N 15 117.057 0.3 . 1 . . . . . 121 SER N . 27943 1 563 . 1 1 122 122 LYS H H 1 9.906 0.020 . 1 . . . . . 122 LYS H . 27943 1 564 . 1 1 122 122 LYS C C 13 176.120 0.3 . 1 . . . . . 122 LYS C . 27943 1 565 . 1 1 122 122 LYS CA C 13 55.447 0.3 . 1 . . . . . 122 LYS CA . 27943 1 566 . 1 1 122 122 LYS CB C 13 33.148 0.3 . 1 . . . . . 122 LYS CB . 27943 1 567 . 1 1 122 122 LYS N N 15 125.985 0.3 . 1 . . . . . 122 LYS N . 27943 1 568 . 1 1 123 123 VAL H H 1 8.495 0.020 . 1 . . . . . 123 VAL H . 27943 1 569 . 1 1 123 123 VAL C C 13 172.265 0.3 . 1 . . . . . 123 VAL C . 27943 1 570 . 1 1 123 123 VAL CA C 13 58.134 0.3 . 1 . . . . . 123 VAL CA . 27943 1 571 . 1 1 123 123 VAL CB C 13 36.620 0.3 . 1 . . . . . 123 VAL CB . 27943 1 572 . 1 1 123 123 VAL N N 15 114.735 0.3 . 1 . . . . . 123 VAL N . 27943 1 573 . 1 1 124 124 THR H H 1 8.527 0.020 . 1 . . . . . 124 THR H . 27943 1 574 . 1 1 124 124 THR C C 13 172.411 0.3 . 1 . . . . . 124 THR C . 27943 1 575 . 1 1 124 124 THR CA C 13 60.166 0.3 . 1 . . . . . 124 THR CA . 27943 1 576 . 1 1 124 124 THR CB C 13 71.281 0.3 . 1 . . . . . 124 THR CB . 27943 1 577 . 1 1 124 124 THR N N 15 114.659 0.3 . 1 . . . . . 124 THR N . 27943 1 578 . 1 1 125 125 THR H H 1 7.622 0.020 . 1 . . . . . 125 THR H . 27943 1 579 . 1 1 125 125 THR C C 13 174.336 0.3 . 1 . . . . . 125 THR C . 27943 1 580 . 1 1 125 125 THR CA C 13 59.450 0.3 . 1 . . . . . 125 THR CA . 27943 1 581 . 1 1 125 125 THR CB C 13 76.352 0.3 . 1 . . . . . 125 THR CB . 27943 1 582 . 1 1 125 125 THR N N 15 105.425 0.3 . 1 . . . . . 125 THR N . 27943 1 583 . 1 1 126 126 HIS H H 1 8.033 0.020 . 1 . . . . . 126 HIS H . 27943 1 584 . 1 1 126 126 HIS C C 13 178.224 0.3 . 1 . . . . . 126 HIS C . 27943 1 585 . 1 1 126 126 HIS CA C 13 59.127 0.3 . 1 . . . . . 126 HIS CA . 27943 1 586 . 1 1 126 126 HIS CB C 13 31.184 0.3 . 1 . . . . . 126 HIS CB . 27943 1 587 . 1 1 126 126 HIS N N 15 122.618 0.3 . 1 . . . . . 126 HIS N . 27943 1 588 . 1 1 127 127 PRO C C 13 178.655 0.3 . 1 . . . . . 127 PRO C . 27943 1 589 . 1 1 127 127 PRO CA C 13 66.754 0.3 . 1 . . . . . 127 PRO CA . 27943 1 590 . 1 1 127 127 PRO CB C 13 32.204 0.3 . 1 . . . . . 127 PRO CB . 27943 1 591 . 1 1 128 128 LEU H H 1 11.268 0.020 . 1 . . . . . 128 LEU H . 27943 1 592 . 1 1 128 128 LEU C C 13 177.985 0.3 . 1 . . . . . 128 LEU C . 27943 1 593 . 1 1 128 128 LEU CA C 13 57.120 0.3 . 1 . . . . . 128 LEU CA . 27943 1 594 . 1 1 128 128 LEU CB C 13 41.068 0.3 . 1 . . . . . 128 LEU CB . 27943 1 595 . 1 1 128 128 LEU N N 15 119.784 0.3 . 1 . . . . . 128 LEU N . 27943 1 596 . 1 1 129 129 ALA H H 1 8.189 0.020 . 1 . . . . . 129 ALA H . 27943 1 597 . 1 1 129 129 ALA C C 13 175.591 0.3 . 1 . . . . . 129 ALA C . 27943 1 598 . 1 1 129 129 ALA CA C 13 51.194 0.3 . 1 . . . . . 129 ALA CA . 27943 1 599 . 1 1 129 129 ALA CB C 13 19.316 0.3 . 1 . . . . . 129 ALA CB . 27943 1 600 . 1 1 129 129 ALA N N 15 120.500 0.3 . 1 . . . . . 129 ALA N . 27943 1 601 . 1 1 130 130 LYS H H 1 6.929 0.020 . 1 . . . . . 130 LYS H . 27943 1 602 . 1 1 130 130 LYS C C 13 176.851 0.3 . 1 . . . . . 130 LYS C . 27943 1 603 . 1 1 130 130 LYS CA C 13 60.477 0.3 . 1 . . . . . 130 LYS CA . 27943 1 604 . 1 1 130 130 LYS CB C 13 32.904 0.3 . 1 . . . . . 130 LYS CB . 27943 1 605 . 1 1 130 130 LYS N N 15 121.073 0.3 . 1 . . . . . 130 LYS N . 27943 1 606 . 1 1 131 131 ASP H H 1 8.260 0.020 . 1 . . . . . 131 ASP H . 27943 1 607 . 1 1 131 131 ASP C C 13 179.123 0.3 . 1 . . . . . 131 ASP C . 27943 1 608 . 1 1 131 131 ASP CA C 13 57.474 0.3 . 1 . . . . . 131 ASP CA . 27943 1 609 . 1 1 131 131 ASP CB C 13 39.549 0.3 . 1 . . . . . 131 ASP CB . 27943 1 610 . 1 1 131 131 ASP N N 15 116.486 0.3 . 1 . . . . . 131 ASP N . 27943 1 611 . 1 1 132 132 LYS H H 1 7.796 0.020 . 1 . . . . . 132 LYS H . 27943 1 612 . 1 1 132 132 LYS C C 13 178.312 0.3 . 1 . . . . . 132 LYS C . 27943 1 613 . 1 1 132 132 LYS CA C 13 58.989 0.3 . 1 . . . . . 132 LYS CA . 27943 1 614 . 1 1 132 132 LYS CB C 13 32.470 0.3 . 1 . . . . . 132 LYS CB . 27943 1 615 . 1 1 132 132 LYS N N 15 119.831 0.3 . 1 . . . . . 132 LYS N . 27943 1 616 . 1 1 133 133 MET H H 1 7.707 0.020 . 1 . . . . . 133 MET H . 27943 1 617 . 1 1 133 133 MET C C 13 176.176 0.3 . 1 . . . . . 133 MET C . 27943 1 618 . 1 1 133 133 MET CA C 13 56.220 0.3 . 1 . . . . . 133 MET CA . 27943 1 619 . 1 1 133 133 MET CB C 13 34.070 0.3 . 1 . . . . . 133 MET CB . 27943 1 620 . 1 1 133 133 MET N N 15 116.834 0.3 . 1 . . . . . 133 MET N . 27943 1 621 . 1 1 134 134 MET H H 1 7.722 0.020 . 1 . . . . . 134 MET H . 27943 1 622 . 1 1 134 134 MET C C 13 178.292 0.3 . 1 . . . . . 134 MET C . 27943 1 623 . 1 1 134 134 MET CA C 13 53.394 0.3 . 1 . . . . . 134 MET CA . 27943 1 624 . 1 1 134 134 MET CB C 13 30.653 0.3 . 1 . . . . . 134 MET CB . 27943 1 625 . 1 1 134 134 MET N N 15 110.003 0.3 . 1 . . . . . 134 MET N . 27943 1 626 . 1 1 135 135 ASN H H 1 7.343 0.020 . 1 . . . . . 135 ASN H . 27943 1 627 . 1 1 135 135 ASN C C 13 177.078 0.3 . 1 . . . . . 135 ASN C . 27943 1 628 . 1 1 135 135 ASN CA C 13 55.516 0.3 . 1 . . . . . 135 ASN CA . 27943 1 629 . 1 1 135 135 ASN CB C 13 38.424 0.3 . 1 . . . . . 135 ASN CB . 27943 1 630 . 1 1 135 135 ASN N N 15 122.753 0.3 . 1 . . . . . 135 ASN N . 27943 1 631 . 1 1 136 136 GLY H H 1 9.135 0.020 . 1 . . . . . 136 GLY H . 27943 1 632 . 1 1 136 136 GLY C C 13 174.351 0.3 . 1 . . . . . 136 GLY C . 27943 1 633 . 1 1 136 136 GLY CA C 13 44.775 0.3 . 1 . . . . . 136 GLY CA . 27943 1 634 . 1 1 136 136 GLY N N 15 119.920 0.3 . 1 . . . . . 136 GLY N . 27943 1 635 . 1 1 137 137 GLY H H 1 8.238 0.020 . 1 . . . . . 137 GLY H . 27943 1 636 . 1 1 137 137 GLY C C 13 175.551 0.3 . 1 . . . . . 137 GLY C . 27943 1 637 . 1 1 137 137 GLY CA C 13 47.428 0.3 . 1 . . . . . 137 GLY CA . 27943 1 638 . 1 1 137 137 GLY N N 15 107.875 0.3 . 1 . . . . . 137 GLY N . 27943 1 639 . 1 1 138 138 HIS H H 1 8.642 0.020 . 1 . . . . . 138 HIS H . 27943 1 640 . 1 1 138 138 HIS C C 13 171.696 0.3 . 1 . . . . . 138 HIS C . 27943 1 641 . 1 1 138 138 HIS CA C 13 56.197 0.3 . 1 . . . . . 138 HIS CA . 27943 1 642 . 1 1 138 138 HIS CB C 13 27.837 0.3 . 1 . . . . . 138 HIS CB . 27943 1 643 . 1 1 138 138 HIS N N 15 115.703 0.3 . 1 . . . . . 138 HIS N . 27943 1 644 . 1 1 139 139 TYR H H 1 7.107 0.020 . 1 . . . . . 139 TYR H . 27943 1 645 . 1 1 139 139 TYR C C 13 174.699 0.3 . 1 . . . . . 139 TYR C . 27943 1 646 . 1 1 139 139 TYR CA C 13 56.312 0.3 . 1 . . . . . 139 TYR CA . 27943 1 647 . 1 1 139 139 TYR CB C 13 43.656 0.3 . 1 . . . . . 139 TYR CB . 27943 1 648 . 1 1 139 139 TYR N N 15 113.663 0.3 . 1 . . . . . 139 TYR N . 27943 1 649 . 1 1 140 140 THR H H 1 8.494 0.020 . 1 . . . . . 140 THR H . 27943 1 650 . 1 1 140 140 THR C C 13 172.593 0.3 . 1 . . . . . 140 THR C . 27943 1 651 . 1 1 140 140 THR CA C 13 61.919 0.3 . 1 . . . . . 140 THR CA . 27943 1 652 . 1 1 140 140 THR CB C 13 70.514 0.3 . 1 . . . . . 140 THR CB . 27943 1 653 . 1 1 140 140 THR N N 15 116.527 0.3 . 1 . . . . . 140 THR N . 27943 1 654 . 1 1 141 141 TYR H H 1 8.876 0.020 . 1 . . . . . 141 TYR H . 27943 1 655 . 1 1 141 141 TYR C C 13 174.946 0.3 . 1 . . . . . 141 TYR C . 27943 1 656 . 1 1 141 141 TYR CA C 13 59.854 0.3 . 1 . . . . . 141 TYR CA . 27943 1 657 . 1 1 141 141 TYR CB C 13 39.887 0.3 . 1 . . . . . 141 TYR CB . 27943 1 658 . 1 1 141 141 TYR N N 15 126.726 0.3 . 1 . . . . . 141 TYR N . 27943 1 659 . 1 1 142 142 SER H H 1 7.816 0.020 . 1 . . . . . 142 SER H . 27943 1 660 . 1 1 142 142 SER C C 13 172.573 0.3 . 1 . . . . . 142 SER C . 27943 1 661 . 1 1 142 142 SER CA C 13 54.743 0.3 . 1 . . . . . 142 SER CA . 27943 1 662 . 1 1 142 142 SER CB C 13 65.339 0.3 . 1 . . . . . 142 SER CB . 27943 1 663 . 1 1 142 142 SER N N 15 122.204 0.3 . 1 . . . . . 142 SER N . 27943 1 664 . 1 1 143 143 GLU H H 1 8.475 0.020 . 1 . . . . . 143 GLU H . 27943 1 665 . 1 1 143 143 GLU C C 13 175.652 0.3 . 1 . . . . . 143 GLU C . 27943 1 666 . 1 1 143 143 GLU CA C 13 55.228 0.3 . 1 . . . . . 143 GLU CA . 27943 1 667 . 1 1 143 143 GLU CB C 13 29.399 0.3 . 1 . . . . . 143 GLU CB . 27943 1 668 . 1 1 143 143 GLU N N 15 122.165 0.3 . 1 . . . . . 143 GLU N . 27943 1 669 . 1 1 144 144 ASN H H 1 7.848 0.020 . 1 . . . . . 144 ASN H . 27943 1 670 . 1 1 144 144 ASN C C 13 174.039 0.3 . 1 . . . . . 144 ASN C . 27943 1 671 . 1 1 144 144 ASN CA C 13 53.485 0.3 . 1 . . . . . 144 ASN CA . 27943 1 672 . 1 1 144 144 ASN CB C 13 38.586 0.3 . 1 . . . . . 144 ASN CB . 27943 1 673 . 1 1 144 144 ASN N N 15 119.803 0.3 . 1 . . . . . 144 ASN N . 27943 1 674 . 1 1 145 145 ARG H H 1 8.132 0.020 . 1 . . . . . 145 ARG H . 27943 1 675 . 1 1 145 145 ARG C C 13 177.768 0.3 . 1 . . . . . 145 ARG C . 27943 1 676 . 1 1 145 145 ARG CA C 13 60.927 0.3 . 1 . . . . . 145 ARG CA . 27943 1 677 . 1 1 145 145 ARG CB C 13 31.036 0.3 . 1 . . . . . 145 ARG CB . 27943 1 678 . 1 1 145 145 ARG N N 15 116.594 0.3 . 1 . . . . . 145 ARG N . 27943 1 679 . 1 1 146 146 VAL H H 1 7.740 0.020 . 1 . . . . . 146 VAL H . 27943 1 680 . 1 1 146 146 VAL C C 13 172.719 0.3 . 1 . . . . . 146 VAL C . 27943 1 681 . 1 1 146 146 VAL CA C 13 61.674 0.3 . 1 . . . . . 146 VAL CA . 27943 1 682 . 1 1 146 146 VAL CB C 13 35.003 0.3 . 1 . . . . . 146 VAL CB . 27943 1 683 . 1 1 146 146 VAL N N 15 117.290 0.3 . 1 . . . . . 146 VAL N . 27943 1 684 . 1 1 147 147 GLU H H 1 9.209 0.020 . 1 . . . . . 147 GLU H . 27943 1 685 . 1 1 147 147 GLU C C 13 172.865 0.3 . 1 . . . . . 147 GLU C . 27943 1 686 . 1 1 147 147 GLU CA C 13 53.751 0.3 . 1 . . . . . 147 GLU CA . 27943 1 687 . 1 1 147 147 GLU CB C 13 33.119 0.3 . 1 . . . . . 147 GLU CB . 27943 1 688 . 1 1 147 147 GLU N N 15 127.711 0.3 . 1 . . . . . 147 GLU N . 27943 1 689 . 1 1 148 148 LYS H H 1 8.739 0.020 . 1 . . . . . 148 LYS H . 27943 1 690 . 1 1 148 148 LYS C C 13 174.271 0.3 . 1 . . . . . 148 LYS C . 27943 1 691 . 1 1 148 148 LYS CA C 13 55.793 0.3 . 1 . . . . . 148 LYS CA . 27943 1 692 . 1 1 148 148 LYS CB C 13 35.152 0.3 . 1 . . . . . 148 LYS CB . 27943 1 693 . 1 1 148 148 LYS N N 15 127.701 0.3 . 1 . . . . . 148 LYS N . 27943 1 694 . 1 1 149 149 ASP H H 1 8.792 0.020 . 1 . . . . . 149 ASP H . 27943 1 695 . 1 1 149 149 ASP C C 13 176.372 0.3 . 1 . . . . . 149 ASP C . 27943 1 696 . 1 1 149 149 ASP CA C 13 52.908 0.3 . 1 . . . . . 149 ASP CA . 27943 1 697 . 1 1 149 149 ASP CB C 13 42.813 0.3 . 1 . . . . . 149 ASP CB . 27943 1 698 . 1 1 149 149 ASP N N 15 128.424 0.3 . 1 . . . . . 149 ASP N . 27943 1 699 . 1 1 150 150 GLY H H 1 8.795 0.020 . 1 . . . . . 150 GLY H . 27943 1 700 . 1 1 150 150 GLY C C 13 174.487 0.3 . 1 . . . . . 150 GLY C . 27943 1 701 . 1 1 150 150 GLY CA C 13 47.578 0.3 . 1 . . . . . 150 GLY CA . 27943 1 702 . 1 1 150 150 GLY N N 15 115.193 0.3 . 1 . . . . . 150 GLY N . 27943 1 703 . 1 1 151 151 LEU H H 1 8.849 0.020 . 1 . . . . . 151 LEU H . 27943 1 704 . 1 1 151 151 LEU C C 13 174.528 0.3 . 1 . . . . . 151 LEU C . 27943 1 705 . 1 1 151 151 LEU CA C 13 54.743 0.3 . 1 . . . . . 151 LEU CA . 27943 1 706 . 1 1 151 151 LEU CB C 13 41.053 0.3 . 1 . . . . . 151 LEU CB . 27943 1 707 . 1 1 151 151 LEU N N 15 128.445 0.3 . 1 . . . . . 151 LEU N . 27943 1 708 . 1 1 152 152 ILE H H 1 7.781 0.020 . 1 . . . . . 152 ILE H . 27943 1 709 . 1 1 152 152 ILE C C 13 174.644 0.3 . 1 . . . . . 152 ILE C . 27943 1 710 . 1 1 152 152 ILE CA C 13 59.324 0.3 . 1 . . . . . 152 ILE CA . 27943 1 711 . 1 1 152 152 ILE CB C 13 37.061 0.3 . 1 . . . . . 152 ILE CB . 27943 1 712 . 1 1 152 152 ILE N N 15 118.507 0.3 . 1 . . . . . 152 ILE N . 27943 1 713 . 1 1 153 153 LEU H H 1 9.314 0.020 . 1 . . . . . 153 LEU H . 27943 1 714 . 1 1 153 153 LEU C C 13 176.150 0.3 . 1 . . . . . 153 LEU C . 27943 1 715 . 1 1 153 153 LEU CA C 13 54.143 0.3 . 1 . . . . . 153 LEU CA . 27943 1 716 . 1 1 153 153 LEU CB C 13 46.309 0.3 . 1 . . . . . 153 LEU CB . 27943 1 717 . 1 1 153 153 LEU N N 15 135.004 0.3 . 1 . . . . . 153 LEU N . 27943 1 718 . 1 1 154 154 THR H H 1 9.693 0.020 . 1 . . . . . 154 THR H . 27943 1 719 . 1 1 154 154 THR C C 13 174.291 0.3 . 1 . . . . . 154 THR C . 27943 1 720 . 1 1 154 154 THR CA C 13 58.804 0.3 . 1 . . . . . 154 THR CA . 27943 1 721 . 1 1 154 154 THR CB C 13 73.224 0.3 . 1 . . . . . 154 THR CB . 27943 1 722 . 1 1 154 154 THR N N 15 115.522 0.3 . 1 . . . . . 154 THR N . 27943 1 723 . 1 1 155 155 SER H H 1 7.286 0.020 . 1 . . . . . 155 SER H . 27943 1 724 . 1 1 155 155 SER C C 13 175.667 0.3 . 1 . . . . . 155 SER C . 27943 1 725 . 1 1 155 155 SER CA C 13 56.208 0.3 . 1 . . . . . 155 SER CA . 27943 1 726 . 1 1 155 155 SER CB C 13 65.587 0.3 . 1 . . . . . 155 SER CB . 27943 1 727 . 1 1 155 155 SER N N 15 108.437 0.3 . 1 . . . . . 155 SER N . 27943 1 728 . 1 1 156 156 ARG H H 1 6.796 0.020 . 1 . . . . . 156 ARG H . 27943 1 729 . 1 1 156 156 ARG C C 13 174.956 0.3 . 1 . . . . . 156 ARG C . 27943 1 730 . 1 1 156 156 ARG CA C 13 62.254 0.3 . 1 . . . . . 156 ARG CA . 27943 1 731 . 1 1 156 156 ARG CB C 13 33.850 0.3 . 1 . . . . . 156 ARG CB . 27943 1 732 . 1 1 156 156 ARG N N 15 122.075 0.3 . 1 . . . . . 156 ARG N . 27943 1 733 . 1 1 157 157 GLY H H 1 8.661 0.020 . 1 . . . . . 157 GLY H . 27943 1 734 . 1 1 157 157 GLY C C 13 171.474 0.3 . 1 . . . . . 157 GLY C . 27943 1 735 . 1 1 157 157 GLY CA C 13 47.520 0.3 . 1 . . . . . 157 GLY CA . 27943 1 736 . 1 1 157 157 GLY N N 15 102.352 0.3 . 1 . . . . . 157 GLY N . 27943 1 737 . 1 1 158 158 PRO C C 13 179.814 0.3 . 1 . . . . . 158 PRO C . 27943 1 738 . 1 1 158 158 PRO CA C 13 66.524 0.3 . 1 . . . . . 158 PRO CA . 27943 1 739 . 1 1 158 158 PRO CB C 13 33.156 0.3 . 1 . . . . . 158 PRO CB . 27943 1 740 . 1 1 159 159 GLY H H 1 9.512 0.020 . 1 . . . . . 159 GLY H . 27943 1 741 . 1 1 159 159 GLY C C 13 174.593 0.3 . 1 . . . . . 159 GLY C . 27943 1 742 . 1 1 159 159 GLY CA C 13 45.917 0.3 . 1 . . . . . 159 GLY CA . 27943 1 743 . 1 1 159 159 GLY N N 15 102.580 0.3 . 1 . . . . . 159 GLY N . 27943 1 744 . 1 1 160 160 THR H H 1 8.018 0.020 . 1 . . . . . 160 THR H . 27943 1 745 . 1 1 160 160 THR C C 13 176.226 0.3 . 1 . . . . . 160 THR C . 27943 1 746 . 1 1 160 160 THR CA C 13 61.550 0.3 . 1 . . . . . 160 THR CA . 27943 1 747 . 1 1 160 160 THR CB C 13 68.439 0.3 . 1 . . . . . 160 THR CB . 27943 1 748 . 1 1 160 160 THR N N 15 110.006 0.3 . 1 . . . . . 160 THR N . 27943 1 749 . 1 1 161 161 SER H H 1 7.835 0.020 . 1 . . . . . 161 SER H . 27943 1 750 . 1 1 161 161 SER C C 13 176.357 0.3 . 1 . . . . . 161 SER C . 27943 1 751 . 1 1 161 161 SER CA C 13 64.434 0.3 . 1 . . . . . 161 SER CA . 27943 1 752 . 1 1 161 161 SER CB C 13 65.662 0.3 . 1 . . . . . 161 SER CB . 27943 1 753 . 1 1 161 161 SER N N 15 117.507 0.3 . 1 . . . . . 161 SER N . 27943 1 754 . 1 1 162 162 PHE H H 1 8.491 0.020 . 1 . . . . . 162 PHE H . 27943 1 755 . 1 1 162 162 PHE C C 13 177.536 0.3 . 1 . . . . . 162 PHE C . 27943 1 756 . 1 1 162 162 PHE CA C 13 63.546 0.3 . 1 . . . . . 162 PHE CA . 27943 1 757 . 1 1 162 162 PHE CB C 13 38.685 0.3 . 1 . . . . . 162 PHE CB . 27943 1 758 . 1 1 162 162 PHE N N 15 119.489 0.3 . 1 . . . . . 162 PHE N . 27943 1 759 . 1 1 163 163 GLU H H 1 8.315 0.020 . 1 . . . . . 163 GLU H . 27943 1 760 . 1 1 163 163 GLU C C 13 179.265 0.3 . 1 . . . . . 163 GLU C . 27943 1 761 . 1 1 163 163 GLU CA C 13 60.131 0.3 . 1 . . . . . 163 GLU CA . 27943 1 762 . 1 1 163 163 GLU CB C 13 29.883 0.3 . 1 . . . . . 163 GLU CB . 27943 1 763 . 1 1 163 163 GLU N N 15 120.463 0.3 . 1 . . . . . 163 GLU N . 27943 1 764 . 1 1 164 164 PHE H H 1 8.752 0.020 . 1 . . . . . 164 PHE H . 27943 1 765 . 1 1 164 164 PHE C C 13 175.042 0.3 . 1 . . . . . 164 PHE C . 27943 1 766 . 1 1 164 164 PHE CA C 13 59.819 0.3 . 1 . . . . . 164 PHE CA . 27943 1 767 . 1 1 164 164 PHE CB C 13 40.148 0.3 . 1 . . . . . 164 PHE CB . 27943 1 768 . 1 1 164 164 PHE N N 15 120.578 0.3 . 1 . . . . . 164 PHE N . 27943 1 769 . 1 1 165 165 ALA H H 1 8.377 0.020 . 1 . . . . . 165 ALA H . 27943 1 770 . 1 1 165 165 ALA C C 13 179.194 0.3 . 1 . . . . . 165 ALA C . 27943 1 771 . 1 1 165 165 ALA CA C 13 55.181 0.3 . 1 . . . . . 165 ALA CA . 27943 1 772 . 1 1 165 165 ALA CB C 13 19.519 0.3 . 1 . . . . . 165 ALA CB . 27943 1 773 . 1 1 165 165 ALA N N 15 119.736 0.3 . 1 . . . . . 165 ALA N . 27943 1 774 . 1 1 166 166 LEU H H 1 8.692 0.020 . 1 . . . . . 166 LEU H . 27943 1 775 . 1 1 166 166 LEU C C 13 178.625 0.3 . 1 . . . . . 166 LEU C . 27943 1 776 . 1 1 166 166 LEU CA C 13 57.777 0.3 . 1 . . . . . 166 LEU CA . 27943 1 777 . 1 1 166 166 LEU CB C 13 40.867 0.3 . 1 . . . . . 166 LEU CB . 27943 1 778 . 1 1 166 166 LEU N N 15 116.697 0.3 . 1 . . . . . 166 LEU N . 27943 1 779 . 1 1 167 167 ALA H H 1 8.011 0.020 . 1 . . . . . 167 ALA H . 27943 1 780 . 1 1 167 167 ALA C C 13 180.922 0.3 . 1 . . . . . 167 ALA C . 27943 1 781 . 1 1 167 167 ALA CA C 13 54.951 0.3 . 1 . . . . . 167 ALA CA . 27943 1 782 . 1 1 167 167 ALA CB C 13 18.465 0.3 . 1 . . . . . 167 ALA CB . 27943 1 783 . 1 1 167 167 ALA N N 15 123.481 0.3 . 1 . . . . . 167 ALA N . 27943 1 784 . 1 1 168 168 ILE H H 1 7.564 0.020 . 1 . . . . . 168 ILE H . 27943 1 785 . 1 1 168 168 ILE C C 13 177.128 0.3 . 1 . . . . . 168 ILE C . 27943 1 786 . 1 1 168 168 ILE CA C 13 66.096 0.3 . 1 . . . . . 168 ILE CA . 27943 1 787 . 1 1 168 168 ILE CB C 13 37.978 0.3 . 1 . . . . . 168 ILE CB . 27943 1 788 . 1 1 168 168 ILE N N 15 120.621 0.3 . 1 . . . . . 168 ILE N . 27943 1 789 . 1 1 169 169 VAL H H 1 7.805 0.020 . 1 . . . . . 169 VAL H . 27943 1 790 . 1 1 169 169 VAL C C 13 177.627 0.3 . 1 . . . . . 169 VAL C . 27943 1 791 . 1 1 169 169 VAL CA C 13 67.400 0.3 . 1 . . . . . 169 VAL CA . 27943 1 792 . 1 1 169 169 VAL CB C 13 31.308 0.3 . 1 . . . . . 169 VAL CB . 27943 1 793 . 1 1 169 169 VAL N N 15 117.781 0.3 . 1 . . . . . 169 VAL N . 27943 1 794 . 1 1 170 170 GLU H H 1 8.744 0.020 . 1 . . . . . 170 GLU H . 27943 1 795 . 1 1 170 170 GLU C C 13 178.645 0.3 . 1 . . . . . 170 GLU C . 27943 1 796 . 1 1 170 170 GLU CA C 13 59.312 0.3 . 1 . . . . . 170 GLU CA . 27943 1 797 . 1 1 170 170 GLU CB C 13 29.400 0.3 . 1 . . . . . 170 GLU CB . 27943 1 798 . 1 1 170 170 GLU N N 15 120.188 0.3 . 1 . . . . . 170 GLU N . 27943 1 799 . 1 1 171 171 ALA H H 1 7.813 0.020 . 1 . . . . . 171 ALA H . 27943 1 800 . 1 1 171 171 ALA C C 13 178.861 0.3 . 1 . . . . . 171 ALA C . 27943 1 801 . 1 1 171 171 ALA CA C 13 54.662 0.3 . 1 . . . . . 171 ALA CA . 27943 1 802 . 1 1 171 171 ALA CB C 13 17.825 0.3 . 1 . . . . . 171 ALA CB . 27943 1 803 . 1 1 171 171 ALA N N 15 121.022 0.3 . 1 . . . . . 171 ALA N . 27943 1 804 . 1 1 172 172 LEU H H 1 7.828 0.020 . 1 . . . . . 172 LEU H . 27943 1 805 . 1 1 172 172 LEU C C 13 177.476 0.3 . 1 . . . . . 172 LEU C . 27943 1 806 . 1 1 172 172 LEU CA C 13 57.039 0.3 . 1 . . . . . 172 LEU CA . 27943 1 807 . 1 1 172 172 LEU CB C 13 42.668 0.3 . 1 . . . . . 172 LEU CB . 27943 1 808 . 1 1 172 172 LEU N N 15 115.600 0.3 . 1 . . . . . 172 LEU N . 27943 1 809 . 1 1 173 173 ASN H H 1 8.938 0.020 . 1 . . . . . 173 ASN H . 27943 1 810 . 1 1 173 173 ASN C C 13 176.251 0.3 . 1 . . . . . 173 ASN C . 27943 1 811 . 1 1 173 173 ASN CA C 13 53.116 0.3 . 1 . . . . . 173 ASN CA . 27943 1 812 . 1 1 173 173 ASN CB C 13 41.380 0.3 . 1 . . . . . 173 ASN CB . 27943 1 813 . 1 1 173 173 ASN N N 15 114.947 0.3 . 1 . . . . . 173 ASN N . 27943 1 814 . 1 1 174 174 GLY H H 1 7.907 0.020 . 1 . . . . . 174 GLY H . 27943 1 815 . 1 1 174 174 GLY C C 13 174.180 0.3 . 1 . . . . . 174 GLY C . 27943 1 816 . 1 1 174 174 GLY CA C 13 44.964 0.3 . 1 . . . . . 174 GLY CA . 27943 1 817 . 1 1 174 174 GLY N N 15 110.321 0.3 . 1 . . . . . 174 GLY N . 27943 1 818 . 1 1 175 175 LYS H H 1 8.635 0.020 . 1 . . . . . 175 LYS H . 27943 1 819 . 1 1 175 175 LYS C C 13 178.670 0.3 . 1 . . . . . 175 LYS C . 27943 1 820 . 1 1 175 175 LYS CA C 13 59.958 0.3 . 1 . . . . . 175 LYS CA . 27943 1 821 . 1 1 175 175 LYS CB C 13 33.067 0.3 . 1 . . . . . 175 LYS CB . 27943 1 822 . 1 1 175 175 LYS N N 15 118.371 0.3 . 1 . . . . . 175 LYS N . 27943 1 823 . 1 1 176 176 GLU H H 1 8.771 0.020 . 1 . . . . . 176 GLU H . 27943 1 824 . 1 1 176 176 GLU C C 13 179.436 0.3 . 1 . . . . . 176 GLU C . 27943 1 825 . 1 1 176 176 GLU CA C 13 60.050 0.3 . 1 . . . . . 176 GLU CA . 27943 1 826 . 1 1 176 176 GLU CB C 13 28.402 0.3 . 1 . . . . . 176 GLU CB . 27943 1 827 . 1 1 176 176 GLU N N 15 121.098 0.3 . 1 . . . . . 176 GLU N . 27943 1 828 . 1 1 177 177 VAL H H 1 7.955 0.020 . 1 . . . . . 177 VAL H . 27943 1 829 . 1 1 177 177 VAL C C 13 178.010 0.3 . 1 . . . . . 177 VAL C . 27943 1 830 . 1 1 177 177 VAL CA C 13 66.073 0.3 . 1 . . . . . 177 VAL CA . 27943 1 831 . 1 1 177 177 VAL CB C 13 31.331 0.3 . 1 . . . . . 177 VAL CB . 27943 1 832 . 1 1 177 177 VAL N N 15 120.751 0.3 . 1 . . . . . 177 VAL N . 27943 1 833 . 1 1 178 178 ALA H H 1 7.478 0.020 . 1 . . . . . 178 ALA H . 27943 1 834 . 1 1 178 178 ALA C C 13 178.378 0.3 . 1 . . . . . 178 ALA C . 27943 1 835 . 1 1 178 178 ALA CA C 13 56.035 0.3 . 1 . . . . . 178 ALA CA . 27943 1 836 . 1 1 178 178 ALA CB C 13 17.798 0.3 . 1 . . . . . 178 ALA CB . 27943 1 837 . 1 1 178 178 ALA N N 15 120.135 0.3 . 1 . . . . . 178 ALA N . 27943 1 838 . 1 1 179 179 ALA H H 1 7.983 0.020 . 1 . . . . . 179 ALA H . 27943 1 839 . 1 1 179 179 ALA C C 13 180.912 0.3 . 1 . . . . . 179 ALA C . 27943 1 840 . 1 1 179 179 ALA CA C 13 55.274 0.3 . 1 . . . . . 179 ALA CA . 27943 1 841 . 1 1 179 179 ALA CB C 13 18.015 0.3 . 1 . . . . . 179 ALA CB . 27943 1 842 . 1 1 179 179 ALA N N 15 118.753 0.3 . 1 . . . . . 179 ALA N . 27943 1 843 . 1 1 180 180 GLN H H 1 7.865 0.020 . 1 . . . . . 180 GLN H . 27943 1 844 . 1 1 180 180 GLN C C 13 179.234 0.3 . 1 . . . . . 180 GLN C . 27943 1 845 . 1 1 180 180 GLN CA C 13 58.585 0.3 . 1 . . . . . 180 GLN CA . 27943 1 846 . 1 1 180 180 GLN CB C 13 28.483 0.3 . 1 . . . . . 180 GLN CB . 27943 1 847 . 1 1 180 180 GLN N N 15 118.910 0.3 . 1 . . . . . 180 GLN N . 27943 1 848 . 1 1 181 181 VAL H H 1 8.187 0.020 . 1 . . . . . 181 VAL H . 27943 1 849 . 1 1 181 181 VAL C C 13 177.148 0.3 . 1 . . . . . 181 VAL C . 27943 1 850 . 1 1 181 181 VAL CA C 13 64.492 0.3 . 1 . . . . . 181 VAL CA . 27943 1 851 . 1 1 181 181 VAL CB C 13 31.602 0.3 . 1 . . . . . 181 VAL CB . 27943 1 852 . 1 1 181 181 VAL N N 15 118.863 0.3 . 1 . . . . . 181 VAL N . 27943 1 853 . 1 1 182 182 LYS H H 1 8.057 0.020 . 1 . . . . . 182 LYS H . 27943 1 854 . 1 1 182 182 LYS C C 13 179.456 0.3 . 1 . . . . . 182 LYS C . 27943 1 855 . 1 1 182 182 LYS CA C 13 59.254 0.3 . 1 . . . . . 182 LYS CA . 27943 1 856 . 1 1 182 182 LYS CB C 13 33.447 0.3 . 1 . . . . . 182 LYS CB . 27943 1 857 . 1 1 182 182 LYS N N 15 117.789 0.3 . 1 . . . . . 182 LYS N . 27943 1 858 . 1 1 183 183 ALA H H 1 7.270 0.020 . 1 . . . . . 183 ALA H . 27943 1 859 . 1 1 183 183 ALA C C 13 177.374 0.3 . 1 . . . . . 183 ALA C . 27943 1 860 . 1 1 183 183 ALA CA C 13 57.454 0.3 . 1 . . . . . 183 ALA CA . 27943 1 861 . 1 1 183 183 ALA CB C 13 15.464 0.3 . 1 . . . . . 183 ALA CB . 27943 1 862 . 1 1 183 183 ALA N N 15 121.503 0.3 . 1 . . . . . 183 ALA N . 27943 1 863 . 1 1 184 184 PRO C C 13 178.463 0.3 . 1 . . . . . 184 PRO C . 27943 1 864 . 1 1 184 184 PRO CA C 13 64.594 0.3 . 1 . . . . . 184 PRO CA . 27943 1 865 . 1 1 184 184 PRO CB C 13 31.602 0.3 . 1 . . . . . 184 PRO CB . 27943 1 866 . 1 1 185 185 LEU H H 1 7.929 0.020 . 1 . . . . . 185 LEU H . 27943 1 867 . 1 1 185 185 LEU C C 13 176.538 0.3 . 1 . . . . . 185 LEU C . 27943 1 868 . 1 1 185 185 LEU CA C 13 56.358 0.3 . 1 . . . . . 185 LEU CA . 27943 1 869 . 1 1 185 185 LEU CB C 13 41.447 0.3 . 1 . . . . . 185 LEU CB . 27943 1 870 . 1 1 185 185 LEU N N 15 115.995 0.3 . 1 . . . . . 185 LEU N . 27943 1 871 . 1 1 186 186 VAL H H 1 7.733 0.020 . 1 . . . . . 186 VAL H . 27943 1 872 . 1 1 186 186 VAL C C 13 176.171 0.3 . 1 . . . . . 186 VAL C . 27943 1 873 . 1 1 186 186 VAL CA C 13 63.364 0.3 . 1 . . . . . 186 VAL CA . 27943 1 874 . 1 1 186 186 VAL CB C 13 28.917 0.3 . 1 . . . . . 186 VAL CB . 27943 1 875 . 1 1 186 186 VAL N N 15 117.136 0.3 . 1 . . . . . 186 VAL N . 27943 1 876 . 1 1 187 187 LEU H H 1 8.545 0.020 . 1 . . . . . 187 LEU H . 27943 1 877 . 1 1 187 187 LEU C C 13 177.224 0.3 . 1 . . . . . 187 LEU C . 27943 1 878 . 1 1 187 187 LEU CA C 13 54.644 0.3 . 1 . . . . . 187 LEU CA . 27943 1 879 . 1 1 187 187 LEU CB C 13 42.831 0.3 . 1 . . . . . 187 LEU CB . 27943 1 880 . 1 1 187 187 LEU N N 15 120.640 0.3 . 1 . . . . . 187 LEU N . 27943 1 881 . 1 1 188 188 LYS H H 1 8.479 0.020 . 1 . . . . . 188 LYS H . 27943 1 882 . 1 1 188 188 LYS C C 13 175.430 0.3 . 1 . . . . . 188 LYS C . 27943 1 883 . 1 1 188 188 LYS CA C 13 57.304 0.3 . 1 . . . . . 188 LYS CA . 27943 1 884 . 1 1 188 188 LYS CB C 13 33.392 0.3 . 1 . . . . . 188 LYS CB . 27943 1 885 . 1 1 188 188 LYS N N 15 123.464 0.3 . 1 . . . . . 188 LYS N . 27943 1 886 . 1 1 189 189 ASP H H 1 7.868 0.020 . 1 . . . . . 189 ASP H . 27943 1 887 . 1 1 189 189 ASP C C 13 176.024 0.3 . 1 . . . . . 189 ASP C . 27943 1 888 . 1 1 189 189 ASP CA C 13 55.885 0.3 . 1 . . . . . 189 ASP CA . 27943 1 889 . 1 1 189 189 ASP CB C 13 41.384 0.3 . 1 . . . . . 189 ASP CB . 27943 1 890 . 1 1 189 189 ASP N N 15 127.300 0.3 . 1 . . . . . 189 ASP N . 27943 1 stop_ save_