data_27578 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27578 _Entry.Title ; Putative methyltransferase WBSCR27 in apo-form. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-14 _Entry.Accession_date 2018-08-14 _Entry.Last_release_date 2018-08-14 _Entry.Original_release_date 2018-08-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sofia Mariasina . S. . . 27578 2 Vladimir Polshakov . I. . . 27578 3 Chi-Fon Chang . . . . 27578 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Lomonosov Moscow State University' . 27578 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27578 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 612 27578 '15N chemical shifts' 194 27578 '1H chemical shifts' 456 27578 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 . . 2022-06-04 2018-08-14 update BMRB 'update entry citation' 27578 1 . . 2020-05-25 2018-08-14 original author 'original release' 27578 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27417 'Putative methyltransferase WBSCR27 in complex with S-adenosyl-L-methionine' 27578 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27578 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32255258 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Williams-Beuren Syndrome-Related Methyltransferase WBSCR27: Cofactor Binding and Cleavage ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 287 _Citation.Journal_issue 24 _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 5375 _Citation.Page_last 5393 _Citation.Year 2020 _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 Sofia Mariasina S. S. . . 27578 1 2 Chi-Fon Chang C. F. . . 27578 1 3 Olga Petrova O. A. . . 27578 1 4 Sergey Efimov S. V. . . 27578 1 5 Vladimir Klochkov V. V. . . 27578 1 6 Olga Kechko O. I. . . 27578 1 7 Vladimir Mitkevich V. A. . . 27578 1 8 Petr Sergiev P. V. . . 27578 1 9 Olga Dontsova O. A. . . 27578 1 10 Vladimir Polshakov V. I. . . 27578 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 5'-Methylthioadenosine 27578 1 'NMR assignments' 27578 1 S-Adenosyl-L-homocysteine 27578 1 S-Adenosyl-L-methionine 27578 1 'Williams-Beuren syndrome' 27578 1 methyltransferase 27578 1 'protein secondary structure' 27578 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27578 _Assembly.ID 1 _Assembly.Name assembly_1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 25963 _Assembly.Enzyme_commission_number 'EC 2.1.1' _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 WBSCR27 1 $WBSCR27 A . yes native no no . . . 27578 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 27417 . . 'solution NMR' . 'WBSCR27 in complex with SAM' . 27578 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'putative methyltransferase' 27578 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WBSCR27 _Entity.Sf_category entity _Entity.Sf_framecode WBSCR27 _Entity.Entry_ID 27578 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WBSCR27 _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 ; GAMAQEEAGRLPQVLARVGT SHGITDLACKLRFYDDWAPE YDQDVAALKYRAPRLAVDCL SRAFRGSPHDALILDVACGT GLVAVELQARGFLQVQGVDG SPEMLKQARARGLYHHLSLC TLGQEPLPDPEGTFDAVIIV GALSEGQVPCSAIPELLRVT KPGGLVCLTTRTNPSNLPYK ETLEATLDSLERAGVWECLV TQPVDHWELATSEQETGLGT CANDGFISGIIYLYRKQETV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1 _Entity.Polymer_author_seq_details 'Residues 1-2 represent a non-native affinity tag' _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 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Mutation T4A' _Entity.EC_number 'EC 2.1.1' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25963 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Putative methyltransferase associated to Williams-Beuren Syndrome' 27578 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 . GLY . 27578 1 2 . ALA . 27578 1 3 . MET . 27578 1 4 . ALA . 27578 1 5 . GLN . 27578 1 6 . GLU . 27578 1 7 . GLU . 27578 1 8 . ALA . 27578 1 9 . GLY . 27578 1 10 . ARG . 27578 1 11 . LEU . 27578 1 12 . PRO . 27578 1 13 . GLN . 27578 1 14 . VAL . 27578 1 15 . LEU . 27578 1 16 . ALA . 27578 1 17 . ARG . 27578 1 18 . VAL . 27578 1 19 . GLY . 27578 1 20 . THR . 27578 1 21 . SER . 27578 1 22 . HIS . 27578 1 23 . GLY . 27578 1 24 . ILE . 27578 1 25 . THR . 27578 1 26 . ASP . 27578 1 27 . LEU . 27578 1 28 . ALA . 27578 1 29 . CYS . 27578 1 30 . LYS . 27578 1 31 . LEU . 27578 1 32 . ARG . 27578 1 33 . PHE . 27578 1 34 . TYR . 27578 1 35 . ASP . 27578 1 36 . ASP . 27578 1 37 . TRP . 27578 1 38 . ALA . 27578 1 39 . PRO . 27578 1 40 . GLU . 27578 1 41 . TYR . 27578 1 42 . ASP . 27578 1 43 . GLN . 27578 1 44 . ASP . 27578 1 45 . VAL . 27578 1 46 . ALA . 27578 1 47 . ALA . 27578 1 48 . LEU . 27578 1 49 . LYS . 27578 1 50 . TYR . 27578 1 51 . ARG . 27578 1 52 . ALA . 27578 1 53 . PRO . 27578 1 54 . ARG . 27578 1 55 . LEU . 27578 1 56 . ALA . 27578 1 57 . VAL . 27578 1 58 . ASP . 27578 1 59 . CYS . 27578 1 60 . LEU . 27578 1 61 . SER . 27578 1 62 . ARG . 27578 1 63 . ALA . 27578 1 64 . PHE . 27578 1 65 . ARG . 27578 1 66 . GLY . 27578 1 67 . SER . 27578 1 68 . PRO . 27578 1 69 . HIS . 27578 1 70 . ASP . 27578 1 71 . ALA . 27578 1 72 . LEU . 27578 1 73 . ILE . 27578 1 74 . LEU . 27578 1 75 . ASP . 27578 1 76 . VAL . 27578 1 77 . ALA . 27578 1 78 . CYS . 27578 1 79 . GLY . 27578 1 80 . THR . 27578 1 81 . GLY . 27578 1 82 . LEU . 27578 1 83 . VAL . 27578 1 84 . ALA . 27578 1 85 . VAL . 27578 1 86 . GLU . 27578 1 87 . LEU . 27578 1 88 . GLN . 27578 1 89 . ALA . 27578 1 90 . ARG . 27578 1 91 . GLY . 27578 1 92 . PHE . 27578 1 93 . LEU . 27578 1 94 . GLN . 27578 1 95 . VAL . 27578 1 96 . GLN . 27578 1 97 . GLY . 27578 1 98 . VAL . 27578 1 99 . ASP . 27578 1 100 . GLY . 27578 1 101 . SER . 27578 1 102 . PRO . 27578 1 103 . GLU . 27578 1 104 . MET . 27578 1 105 . LEU . 27578 1 106 . LYS . 27578 1 107 . GLN . 27578 1 108 . ALA . 27578 1 109 . ARG . 27578 1 110 . ALA . 27578 1 111 . ARG . 27578 1 112 . GLY . 27578 1 113 . LEU . 27578 1 114 . TYR . 27578 1 115 . HIS . 27578 1 116 . HIS . 27578 1 117 . LEU . 27578 1 118 . SER . 27578 1 119 . LEU . 27578 1 120 . CYS . 27578 1 121 . THR . 27578 1 122 . LEU . 27578 1 123 . GLY . 27578 1 124 . GLN . 27578 1 125 . GLU . 27578 1 126 . PRO . 27578 1 127 . LEU . 27578 1 128 . PRO . 27578 1 129 . ASP . 27578 1 130 . PRO . 27578 1 131 . GLU . 27578 1 132 . GLY . 27578 1 133 . THR . 27578 1 134 . PHE . 27578 1 135 . ASP . 27578 1 136 . ALA . 27578 1 137 . VAL . 27578 1 138 . ILE . 27578 1 139 . ILE . 27578 1 140 . VAL . 27578 1 141 . GLY . 27578 1 142 . ALA . 27578 1 143 . LEU . 27578 1 144 . SER . 27578 1 145 . GLU . 27578 1 146 . GLY . 27578 1 147 . GLN . 27578 1 148 . VAL . 27578 1 149 . PRO . 27578 1 150 . CYS . 27578 1 151 . SER . 27578 1 152 . ALA . 27578 1 153 . ILE . 27578 1 154 . PRO . 27578 1 155 . GLU . 27578 1 156 . LEU . 27578 1 157 . LEU . 27578 1 158 . ARG . 27578 1 159 . VAL . 27578 1 160 . THR . 27578 1 161 . LYS . 27578 1 162 . PRO . 27578 1 163 . GLY . 27578 1 164 . GLY . 27578 1 165 . LEU . 27578 1 166 . VAL . 27578 1 167 . CYS . 27578 1 168 . LEU . 27578 1 169 . THR . 27578 1 170 . THR . 27578 1 171 . ARG . 27578 1 172 . THR . 27578 1 173 . ASN . 27578 1 174 . PRO . 27578 1 175 . SER . 27578 1 176 . ASN . 27578 1 177 . LEU . 27578 1 178 . PRO . 27578 1 179 . TYR . 27578 1 180 . LYS . 27578 1 181 . GLU . 27578 1 182 . THR . 27578 1 183 . LEU . 27578 1 184 . GLU . 27578 1 185 . ALA . 27578 1 186 . THR . 27578 1 187 . LEU . 27578 1 188 . ASP . 27578 1 189 . SER . 27578 1 190 . LEU . 27578 1 191 . GLU . 27578 1 192 . ARG . 27578 1 193 . ALA . 27578 1 194 . GLY . 27578 1 195 . VAL . 27578 1 196 . TRP . 27578 1 197 . GLU . 27578 1 198 . CYS . 27578 1 199 . LEU . 27578 1 200 . VAL . 27578 1 201 . THR . 27578 1 202 . GLN . 27578 1 203 . PRO . 27578 1 204 . VAL . 27578 1 205 . ASP . 27578 1 206 . HIS . 27578 1 207 . TRP . 27578 1 208 . GLU . 27578 1 209 . LEU . 27578 1 210 . ALA . 27578 1 211 . THR . 27578 1 212 . SER . 27578 1 213 . GLU . 27578 1 214 . GLN . 27578 1 215 . GLU . 27578 1 216 . THR . 27578 1 217 . GLY . 27578 1 218 . LEU . 27578 1 219 . GLY . 27578 1 220 . THR . 27578 1 221 . CYS . 27578 1 222 . ALA . 27578 1 223 . ASN . 27578 1 224 . ASP . 27578 1 225 . GLY . 27578 1 226 . PHE . 27578 1 227 . ILE . 27578 1 228 . SER . 27578 1 229 . GLY . 27578 1 230 . ILE . 27578 1 231 . ILE . 27578 1 232 . TYR . 27578 1 233 . LEU . 27578 1 234 . TYR . 27578 1 235 . ARG . 27578 1 236 . LYS . 27578 1 237 . GLN . 27578 1 238 . GLU . 27578 1 239 . THR . 27578 1 240 . VAL . 27578 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 . GLY 1 1 27578 1 . ALA 2 2 27578 1 . MET 3 3 27578 1 . ALA 4 4 27578 1 . GLN 5 5 27578 1 . GLU 6 6 27578 1 . GLU 7 7 27578 1 . ALA 8 8 27578 1 . GLY 9 9 27578 1 . ARG 10 10 27578 1 . LEU 11 11 27578 1 . PRO 12 12 27578 1 . GLN 13 13 27578 1 . VAL 14 14 27578 1 . LEU 15 15 27578 1 . ALA 16 16 27578 1 . ARG 17 17 27578 1 . VAL 18 18 27578 1 . GLY 19 19 27578 1 . THR 20 20 27578 1 . SER 21 21 27578 1 . HIS 22 22 27578 1 . GLY 23 23 27578 1 . ILE 24 24 27578 1 . THR 25 25 27578 1 . ASP 26 26 27578 1 . LEU 27 27 27578 1 . ALA 28 28 27578 1 . CYS 29 29 27578 1 . LYS 30 30 27578 1 . LEU 31 31 27578 1 . ARG 32 32 27578 1 . PHE 33 33 27578 1 . TYR 34 34 27578 1 . ASP 35 35 27578 1 . ASP 36 36 27578 1 . TRP 37 37 27578 1 . ALA 38 38 27578 1 . PRO 39 39 27578 1 . GLU 40 40 27578 1 . TYR 41 41 27578 1 . ASP 42 42 27578 1 . GLN 43 43 27578 1 . ASP 44 44 27578 1 . VAL 45 45 27578 1 . ALA 46 46 27578 1 . ALA 47 47 27578 1 . LEU 48 48 27578 1 . LYS 49 49 27578 1 . TYR 50 50 27578 1 . ARG 51 51 27578 1 . ALA 52 52 27578 1 . PRO 53 53 27578 1 . ARG 54 54 27578 1 . LEU 55 55 27578 1 . ALA 56 56 27578 1 . VAL 57 57 27578 1 . ASP 58 58 27578 1 . CYS 59 59 27578 1 . LEU 60 60 27578 1 . SER 61 61 27578 1 . ARG 62 62 27578 1 . ALA 63 63 27578 1 . PHE 64 64 27578 1 . ARG 65 65 27578 1 . GLY 66 66 27578 1 . SER 67 67 27578 1 . PRO 68 68 27578 1 . HIS 69 69 27578 1 . ASP 70 70 27578 1 . ALA 71 71 27578 1 . LEU 72 72 27578 1 . ILE 73 73 27578 1 . LEU 74 74 27578 1 . ASP 75 75 27578 1 . VAL 76 76 27578 1 . ALA 77 77 27578 1 . CYS 78 78 27578 1 . GLY 79 79 27578 1 . THR 80 80 27578 1 . GLY 81 81 27578 1 . LEU 82 82 27578 1 . VAL 83 83 27578 1 . ALA 84 84 27578 1 . VAL 85 85 27578 1 . GLU 86 86 27578 1 . LEU 87 87 27578 1 . GLN 88 88 27578 1 . ALA 89 89 27578 1 . ARG 90 90 27578 1 . GLY 91 91 27578 1 . PHE 92 92 27578 1 . LEU 93 93 27578 1 . GLN 94 94 27578 1 . VAL 95 95 27578 1 . GLN 96 96 27578 1 . GLY 97 97 27578 1 . VAL 98 98 27578 1 . ASP 99 99 27578 1 . GLY 100 100 27578 1 . SER 101 101 27578 1 . PRO 102 102 27578 1 . GLU 103 103 27578 1 . MET 104 104 27578 1 . LEU 105 105 27578 1 . LYS 106 106 27578 1 . GLN 107 107 27578 1 . ALA 108 108 27578 1 . ARG 109 109 27578 1 . ALA 110 110 27578 1 . ARG 111 111 27578 1 . GLY 112 112 27578 1 . LEU 113 113 27578 1 . TYR 114 114 27578 1 . HIS 115 115 27578 1 . HIS 116 116 27578 1 . LEU 117 117 27578 1 . SER 118 118 27578 1 . LEU 119 119 27578 1 . CYS 120 120 27578 1 . THR 121 121 27578 1 . LEU 122 122 27578 1 . GLY 123 123 27578 1 . GLN 124 124 27578 1 . GLU 125 125 27578 1 . PRO 126 126 27578 1 . LEU 127 127 27578 1 . PRO 128 128 27578 1 . ASP 129 129 27578 1 . PRO 130 130 27578 1 . GLU 131 131 27578 1 . GLY 132 132 27578 1 . THR 133 133 27578 1 . PHE 134 134 27578 1 . ASP 135 135 27578 1 . ALA 136 136 27578 1 . VAL 137 137 27578 1 . ILE 138 138 27578 1 . ILE 139 139 27578 1 . VAL 140 140 27578 1 . GLY 141 141 27578 1 . ALA 142 142 27578 1 . LEU 143 143 27578 1 . SER 144 144 27578 1 . GLU 145 145 27578 1 . GLY 146 146 27578 1 . GLN 147 147 27578 1 . VAL 148 148 27578 1 . PRO 149 149 27578 1 . CYS 150 150 27578 1 . SER 151 151 27578 1 . ALA 152 152 27578 1 . ILE 153 153 27578 1 . PRO 154 154 27578 1 . GLU 155 155 27578 1 . LEU 156 156 27578 1 . LEU 157 157 27578 1 . ARG 158 158 27578 1 . VAL 159 159 27578 1 . THR 160 160 27578 1 . LYS 161 161 27578 1 . PRO 162 162 27578 1 . GLY 163 163 27578 1 . GLY 164 164 27578 1 . LEU 165 165 27578 1 . VAL 166 166 27578 1 . CYS 167 167 27578 1 . LEU 168 168 27578 1 . THR 169 169 27578 1 . THR 170 170 27578 1 . ARG 171 171 27578 1 . THR 172 172 27578 1 . ASN 173 173 27578 1 . PRO 174 174 27578 1 . SER 175 175 27578 1 . ASN 176 176 27578 1 . LEU 177 177 27578 1 . PRO 178 178 27578 1 . TYR 179 179 27578 1 . LYS 180 180 27578 1 . GLU 181 181 27578 1 . THR 182 182 27578 1 . LEU 183 183 27578 1 . GLU 184 184 27578 1 . ALA 185 185 27578 1 . THR 186 186 27578 1 . LEU 187 187 27578 1 . ASP 188 188 27578 1 . SER 189 189 27578 1 . LEU 190 190 27578 1 . GLU 191 191 27578 1 . ARG 192 192 27578 1 . ALA 193 193 27578 1 . GLY 194 194 27578 1 . VAL 195 195 27578 1 . TRP 196 196 27578 1 . GLU 197 197 27578 1 . CYS 198 198 27578 1 . LEU 199 199 27578 1 . VAL 200 200 27578 1 . THR 201 201 27578 1 . GLN 202 202 27578 1 . PRO 203 203 27578 1 . VAL 204 204 27578 1 . ASP 205 205 27578 1 . HIS 206 206 27578 1 . TRP 207 207 27578 1 . GLU 208 208 27578 1 . LEU 209 209 27578 1 . ALA 210 210 27578 1 . THR 211 211 27578 1 . SER 212 212 27578 1 . GLU 213 213 27578 1 . GLN 214 214 27578 1 . GLU 215 215 27578 1 . THR 216 216 27578 1 . GLY 217 217 27578 1 . LEU 218 218 27578 1 . GLY 219 219 27578 1 . THR 220 220 27578 1 . CYS 221 221 27578 1 . ALA 222 222 27578 1 . ASN 223 223 27578 1 . ASP 224 224 27578 1 . GLY 225 225 27578 1 . PHE 226 226 27578 1 . ILE 227 227 27578 1 . SER 228 228 27578 1 . GLY 229 229 27578 1 . ILE 230 230 27578 1 . ILE 231 231 27578 1 . TYR 232 232 27578 1 . LEU 233 233 27578 1 . TYR 234 234 27578 1 . ARG 235 235 27578 1 . LYS 236 236 27578 1 . GLN 237 237 27578 1 . GLU 238 238 27578 1 . THR 239 239 27578 1 . VAL 240 240 27578 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 27578 _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 $WBSCR27 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27578 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 27578 _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 $WBSCR27 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET30aTEV . . . 27578 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_WB_NC _Sample.Sf_category sample _Sample.Sf_framecode WB_NC _Sample.Entry_ID 27578 _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 'WBSCR27 putative methyltransferase' '[U-99% 13C; U-99% 15N]' . . 1 $WBSCR27 . . 0.4 . . mM . . . . 27578 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27578 1 3 'sodium phosphate buffer (pH 7)' 'natural abundance' . . . . . . 50 . . mM . . . . 27578 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27578 1 5 'Sodium azide (NaN3)' 'natural abundance' . . . . . . 0.02 . . % . . . . 27578 1 stop_ save_ save_WB_N _Sample.Sf_category sample _Sample.Sf_framecode WB_N _Sample.Entry_ID 27578 _Sample.ID 2 _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 'WBSCR27 putative methyltransferase' '[U-99% 15N]' . . 1 $WBSCR27 . . 0.8 . . mM . . . . 27578 2 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27578 2 3 'sodium phosphate buffer (pH 7)' 'natural abundance' . . . . . . 50 . . mM . . . . 27578 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27578 2 5 'Sodium azide (NaN3)' 'natural abundance' . . . . . . 0.02 . . % . . . . 27578 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27578 _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 'ionic strength' 100 . mM 27578 1 pH 7 . pH 27578 1 pressure 1 . atm 27578 1 temperature 308 . K 27578 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27578 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(NMRFAM Sparky) W. Lee' . whlee@nmrfam.wisc.edu 27578 1 Goddard . . 27578 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27578 1 'data analysis' . 27578 1 'peak picking' . 27578 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27578 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version v3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27578 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27578 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27578 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27578 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27578 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 27578 _Software.ID 4 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 27578 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27578 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 27578 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version TALOS+ _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 27578 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27578 5 stop_ save_ save_NMRest _Software.Sf_category software _Software.Sf_framecode NMRest _Software.Entry_ID 27578 _Software.ID 6 _Software.Type . _Software.Name NMRest _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Polshakov 'Lomonosov Moscow State University, Moscow, Russia' polshakov@mail.ru 27578 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27578 6 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27578 _Software.ID 7 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27578 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27578 7 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27578 _Software.ID 8 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27578 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27578 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_850_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_850_MHz _NMR_spectrometer.Entry_ID 27578 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27578 _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 Bruker_Avance_850_MHz Bruker Avance . 850 . . . 27578 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 27578 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $WB_N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $WB_NC isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $WB_NC isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 4 '3D HCACO' no . . . . . . . . . . . . 1 $WB_NC isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $WB_NC isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $WB_NC isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $WB_NC isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 8 '3D HNCACB' no . . . . . . . . . . . . 1 $WB_NC isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $WB_N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 10 '3D HNHAHB' no . . . . . . . . . . . . 2 $WB_N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $WB_NC isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . . 27578 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 27578 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27578 1 H 1 water protons . . . . ppm 4.65 internal direct 1.000000000 . . . . . 27578 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27578 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 27578 _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 . _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' . . . 27578 1 2 '2D 1H-13C HSQC' . . . 27578 1 3 '3D HNCO' . . . 27578 1 4 '3D HCACO' . . . 27578 1 5 '3D HN(CO)CA' . . . 27578 1 6 '3D HNCA' . . . 27578 1 7 '3D CBCA(CO)NH' . . . 27578 1 8 '3D HNCACB' . . . 27578 1 9 '3D HBHA(CO)NH' . . . 27578 1 10 '3D HNHAHB' . . . 27578 1 11 '3D HCCH-TOCSY' . . . 27578 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27578 1 2 $TOPSPIN . . 27578 1 3 $PINE . . 27578 1 4 $AutoAssign . . 27578 1 5 $TALOS . . 27578 1 6 $NMRest . . 27578 1 7 $NMRPipe . . 27578 1 8 $NMRDraw . . 27578 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA HA H 1 4.311 0.01 . 1 . . . . . 2 ALA HA . 27578 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.372 0.01 . 1 . . . . . 2 ALA HB* . 27578 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.372 0.01 . 1 . . . . . 2 ALA HB* . 27578 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.372 0.01 . 1 . . . . . 2 ALA HB* . 27578 1 5 . 1 . 1 2 2 ALA C C 13 177.635 0.00 . 1 . . . . . 2 ALA C . 27578 1 6 . 1 . 1 2 2 ALA CA C 13 52.552 0.12 . 1 . . . . . 2 ALA CA . 27578 1 7 . 1 . 1 2 2 ALA CB C 13 19.156 0.18 . 1 . . . . . 2 ALA CB . 27578 1 8 . 1 . 1 3 3 MET H H 1 8.397 0.01 . 1 . . . . . 3 MET H . 27578 1 9 . 1 . 1 3 3 MET HA H 1 4.440 0.01 . 1 . . . . . 3 MET HA . 27578 1 10 . 1 . 1 3 3 MET HB2 H 1 2.057 0.02 . 2 . . . . . 3 MET HB2 . 27578 1 11 . 1 . 1 3 3 MET HB3 H 1 1.989 0.01 . 2 . . . . . 3 MET HB3 . 27578 1 12 . 1 . 1 3 3 MET HG2 H 1 2.595 0.00 . 2 . . . . . 3 MET HG2 . 27578 1 13 . 1 . 1 3 3 MET HG3 H 1 2.524 0.00 . 2 . . . . . 3 MET HG3 . 27578 1 14 . 1 . 1 3 3 MET C C 13 175.952 0.01 . 1 . . . . . 3 MET C . 27578 1 15 . 1 . 1 3 3 MET CA C 13 55.356 0.10 . 1 . . . . . 3 MET CA . 27578 1 16 . 1 . 1 3 3 MET CB C 13 32.836 0.10 . 1 . . . . . 3 MET CB . 27578 1 17 . 1 . 1 3 3 MET CG C 13 31.763 0.04 . 1 . . . . . 3 MET CG . 27578 1 18 . 1 . 1 3 3 MET N N 15 119.726 0.07 . 1 . . . . . 3 MET N . 27578 1 19 . 1 . 1 4 4 ALA H H 1 8.326 0.00 . 1 . . . . . 4 ALA H . 27578 1 20 . 1 . 1 4 4 ALA HA H 1 4.284 0.00 . 1 . . . . . 4 ALA HA . 27578 1 21 . 1 . 1 4 4 ALA HB1 H 1 1.375 0.00 . 1 . . . . . 4 ALA HB* . 27578 1 22 . 1 . 1 4 4 ALA HB2 H 1 1.375 0.00 . 1 . . . . . 4 ALA HB* . 27578 1 23 . 1 . 1 4 4 ALA HB3 H 1 1.375 0.00 . 1 . . . . . 4 ALA HB* . 27578 1 24 . 1 . 1 4 4 ALA C C 13 177.627 0.05 . 1 . . . . . 4 ALA C . 27578 1 25 . 1 . 1 4 4 ALA CA C 13 52.570 0.06 . 1 . . . . . 4 ALA CA . 27578 1 26 . 1 . 1 4 4 ALA CB C 13 18.913 0.13 . 1 . . . . . 4 ALA CB . 27578 1 27 . 1 . 1 4 4 ALA N N 15 125.462 0.05 . 1 . . . . . 4 ALA N . 27578 1 28 . 1 . 1 5 5 GLN H H 1 8.329 0.00 . 1 . . . . . 5 GLN H . 27578 1 29 . 1 . 1 5 5 GLN HA H 1 4.283 0.01 . 1 . . . . . 5 GLN HA . 27578 1 30 . 1 . 1 5 5 GLN HB2 H 1 2.087 0.00 . 2 . . . . . 5 GLN HB2 . 27578 1 31 . 1 . 1 5 5 GLN HB3 H 1 1.988 0.01 . 2 . . . . . 5 GLN HB3 . 27578 1 32 . 1 . 1 5 5 GLN HG2 H 1 2.348 0.00 . 2 . . . . . 5 GLN HG* . 27578 1 33 . 1 . 1 5 5 GLN HG3 H 1 2.348 0.00 . 2 . . . . . 5 GLN HG* . 27578 1 34 . 1 . 1 5 5 GLN HE21 H 1 7.498 0.00 . 2 . . . . . 5 GLN HE21 . 27578 1 35 . 1 . 1 5 5 GLN HE22 H 1 6.802 0.01 . 2 . . . . . 5 GLN HE22 . 27578 1 36 . 1 . 1 5 5 GLN C C 13 176.227 0.04 . 1 . . . . . 5 GLN C . 27578 1 37 . 1 . 1 5 5 GLN CA C 13 56.150 0.05 . 1 . . . . . 5 GLN CA . 27578 1 38 . 1 . 1 5 5 GLN CB C 13 29.180 0.11 . 1 . . . . . 5 GLN CB . 27578 1 39 . 1 . 1 5 5 GLN CG C 13 33.651 0.06 . 1 . . . . . 5 GLN CG . 27578 1 40 . 1 . 1 5 5 GLN CD C 13 180.472 0.00 . 1 . . . . . 5 GLN CD . 27578 1 41 . 1 . 1 5 5 GLN N N 15 119.600 0.06 . 1 . . . . . 5 GLN N . 27578 1 42 . 1 . 1 5 5 GLN NE2 N 15 112.262 0.05 . 1 . . . . . 5 GLN NE2 . 27578 1 43 . 1 . 1 6 6 GLU H H 1 8.435 0.00 . 1 . . . . . 6 GLU H . 27578 1 44 . 1 . 1 6 6 GLU HA H 1 4.243 0.01 . 1 . . . . . 6 GLU HA . 27578 1 45 . 1 . 1 6 6 GLU HB2 H 1 2.034 0.01 . 2 . . . . . 6 GLU HB2 . 27578 1 46 . 1 . 1 6 6 GLU HB3 H 1 1.940 0.00 . 2 . . . . . 6 GLU HB3 . 27578 1 47 . 1 . 1 6 6 GLU HG2 H 1 2.248 0.01 . 2 . . . . . 6 GLU HG* . 27578 1 48 . 1 . 1 6 6 GLU HG3 H 1 2.248 0.01 . 2 . . . . . 6 GLU HG* . 27578 1 49 . 1 . 1 6 6 GLU C C 13 176.683 0.00 . 1 . . . . . 6 GLU C . 27578 1 50 . 1 . 1 6 6 GLU CA C 13 56.859 0.09 . 1 . . . . . 6 GLU CA . 27578 1 51 . 1 . 1 6 6 GLU CB C 13 29.958 0.10 . 1 . . . . . 6 GLU CB . 27578 1 52 . 1 . 1 6 6 GLU CG C 13 36.204 0.02 . 1 . . . . . 6 GLU CG . 27578 1 53 . 1 . 1 6 6 GLU N N 15 121.751 0.06 . 1 . . . . . 6 GLU N . 27578 1 54 . 1 . 1 7 7 GLU H H 1 8.335 0.00 . 1 . . . . . 7 GLU H . 27578 1 55 . 1 . 1 7 7 GLU HA H 1 4.216 0.00 . 1 . . . . . 7 GLU HA . 27578 1 56 . 1 . 1 7 7 GLU HB2 H 1 2.027 0.00 . 2 . . . . . 7 GLU HB2 . 27578 1 57 . 1 . 1 7 7 GLU HB3 H 1 1.932 0.01 . 2 . . . . . 7 GLU HB3 . 27578 1 58 . 1 . 1 7 7 GLU C C 13 176.538 0.01 . 1 . . . . . 7 GLU C . 27578 1 59 . 1 . 1 7 7 GLU CA C 13 56.681 0.16 . 1 . . . . . 7 GLU CA . 27578 1 60 . 1 . 1 7 7 GLU CB C 13 29.991 0.14 . 1 . . . . . 7 GLU CB . 27578 1 61 . 1 . 1 7 7 GLU N N 15 121.717 0.06 . 1 . . . . . 7 GLU N . 27578 1 62 . 1 . 1 8 8 ALA H H 1 8.228 0.01 . 1 . . . . . 8 ALA H . 27578 1 63 . 1 . 1 8 8 ALA HA H 1 4.238 0.00 . 1 . . . . . 8 ALA HA . 27578 1 64 . 1 . 1 8 8 ALA HB1 H 1 1.380 0.00 . 1 . . . . . 8 ALA HB* . 27578 1 65 . 1 . 1 8 8 ALA HB2 H 1 1.380 0.00 . 1 . . . . . 8 ALA HB* . 27578 1 66 . 1 . 1 8 8 ALA HB3 H 1 1.380 0.00 . 1 . . . . . 8 ALA HB* . 27578 1 67 . 1 . 1 8 8 ALA C C 13 178.380 0.01 . 1 . . . . . 8 ALA C . 27578 1 68 . 1 . 1 8 8 ALA CA C 13 52.952 0.14 . 1 . . . . . 8 ALA CA . 27578 1 69 . 1 . 1 8 8 ALA CB C 13 18.846 0.11 . 1 . . . . . 8 ALA CB . 27578 1 70 . 1 . 1 8 8 ALA N N 15 124.614 0.06 . 1 . . . . . 8 ALA N . 27578 1 71 . 1 . 1 9 9 GLY H H 1 8.280 0.00 . 1 . . . . . 9 GLY H . 27578 1 72 . 1 . 1 9 9 GLY HA2 H 1 3.902 0.00 . 2 . . . . . 9 GLY HA* . 27578 1 73 . 1 . 1 9 9 GLY HA3 H 1 3.902 0.00 . 2 . . . . . 9 GLY HA* . 27578 1 74 . 1 . 1 9 9 GLY C C 13 174.016 0.08 . 1 . . . . . 9 GLY C . 27578 1 75 . 1 . 1 9 9 GLY CA C 13 45.268 0.15 . 1 . . . . . 9 GLY CA . 27578 1 76 . 1 . 1 9 9 GLY N N 15 107.229 0.09 . 1 . . . . . 9 GLY N . 27578 1 77 . 1 . 1 10 10 ARG H H 1 7.884 0.00 . 1 . . . . . 10 ARG H . 27578 1 78 . 1 . 1 10 10 ARG HA H 1 4.325 0.00 . 1 . . . . . 10 ARG HA . 27578 1 79 . 1 . 1 10 10 ARG HB2 H 1 1.819 0.01 . 2 . . . . . 10 ARG HB2 . 27578 1 80 . 1 . 1 10 10 ARG HB3 H 1 1.727 0.01 . 2 . . . . . 10 ARG HB3 . 27578 1 81 . 1 . 1 10 10 ARG C C 13 176.032 0.00 . 1 . . . . . 10 ARG C . 27578 1 82 . 1 . 1 10 10 ARG CA C 13 55.714 0.13 . 1 . . . . . 10 ARG CA . 27578 1 83 . 1 . 1 10 10 ARG CB C 13 30.608 0.13 . 1 . . . . . 10 ARG CB . 27578 1 84 . 1 . 1 10 10 ARG N N 15 119.901 0.07 . 1 . . . . . 10 ARG N . 27578 1 85 . 1 . 1 11 11 LEU H H 1 8.148 0.00 . 1 . . . . . 11 LEU H . 27578 1 86 . 1 . 1 11 11 LEU HA H 1 4.558 0.00 . 1 . . . . . 11 LEU HA . 27578 1 87 . 1 . 1 11 11 LEU HB2 H 1 1.560 0.00 . 2 . . . . . 11 LEU HB* . 27578 1 88 . 1 . 1 11 11 LEU HB3 H 1 1.560 0.00 . 2 . . . . . 11 LEU HB* . 27578 1 89 . 1 . 1 11 11 LEU C C 13 175.197 0.00 . 1 . . . . . 11 LEU C . 27578 1 90 . 1 . 1 11 11 LEU CA C 13 53.201 0.09 . 1 . . . . . 11 LEU CA . 27578 1 91 . 1 . 1 11 11 LEU CB C 13 41.371 0.00 . 1 . . . . . 11 LEU CB . 27578 1 92 . 1 . 1 11 11 LEU N N 15 124.206 0.09 . 1 . . . . . 11 LEU N . 27578 1 93 . 1 . 1 12 12 PRO HA H 1 4.358 0.00 . 1 . . . . . 12 PRO HA . 27578 1 94 . 1 . 1 12 12 PRO HB2 H 1 2.260 0.00 . 2 . . . . . 12 PRO HB2 . 27578 1 95 . 1 . 1 12 12 PRO HB3 H 1 1.862 0.01 . 2 . . . . . 12 PRO HB3 . 27578 1 96 . 1 . 1 12 12 PRO C C 13 176.904 0.03 . 1 . . . . . 12 PRO C . 27578 1 97 . 1 . 1 12 12 PRO CA C 13 63.262 0.20 . 1 . . . . . 12 PRO CA . 27578 1 98 . 1 . 1 12 12 PRO CB C 13 31.730 0.12 . 1 . . . . . 12 PRO CB . 27578 1 99 . 1 . 1 13 13 GLN H H 1 8.364 0.00 . 1 . . . . . 13 GLN H . 27578 1 100 . 1 . 1 13 13 GLN HA H 1 4.281 0.00 . 1 . . . . . 13 GLN HA . 27578 1 101 . 1 . 1 13 13 GLN HB2 H 1 1.989 0.01 . 2 . . . . . 13 GLN HB2 . 27578 1 102 . 1 . 1 13 13 GLN HB3 H 1 1.766 0.00 . 2 . . . . . 13 GLN HB3 . 27578 1 103 . 1 . 1 13 13 GLN C C 13 176.148 0.01 . 1 . . . . . 13 GLN C . 27578 1 104 . 1 . 1 13 13 GLN CA C 13 56.117 0.08 . 1 . . . . . 13 GLN CA . 27578 1 105 . 1 . 1 13 13 GLN CB C 13 29.224 0.17 . 1 . . . . . 13 GLN CB . 27578 1 106 . 1 . 1 13 13 GLN N N 15 120.184 0.06 . 1 . . . . . 13 GLN N . 27578 1 107 . 1 . 1 14 14 VAL H H 1 8.054 0.00 . 1 . . . . . 14 VAL H . 27578 1 108 . 1 . 1 14 14 VAL HA H 1 4.026 0.00 . 1 . . . . . 14 VAL HA . 27578 1 109 . 1 . 1 14 14 VAL HB H 1 2.046 0.01 . 1 . . . . . 14 VAL HB . 27578 1 110 . 1 . 1 14 14 VAL C C 13 176.112 0.00 . 1 . . . . . 14 VAL C . 27578 1 111 . 1 . 1 14 14 VAL CA C 13 62.554 0.13 . 1 . . . . . 14 VAL CA . 27578 1 112 . 1 . 1 14 14 VAL CB C 13 32.335 0.12 . 1 . . . . . 14 VAL CB . 27578 1 113 . 1 . 1 14 14 VAL N N 15 120.955 0.08 . 1 . . . . . 14 VAL N . 27578 1 114 . 1 . 1 15 15 LEU H H 1 8.143 0.00 . 1 . . . . . 15 LEU H . 27578 1 115 . 1 . 1 15 15 LEU HA H 1 4.303 0.00 . 1 . . . . . 15 LEU HA . 27578 1 116 . 1 . 1 15 15 LEU HB2 H 1 1.555 0.00 . 2 . . . . . 15 LEU HB* . 27578 1 117 . 1 . 1 15 15 LEU HB3 H 1 1.555 0.00 . 2 . . . . . 15 LEU HB* . 27578 1 118 . 1 . 1 15 15 LEU C C 13 176.875 0.02 . 1 . . . . . 15 LEU C . 27578 1 119 . 1 . 1 15 15 LEU CA C 13 55.060 0.04 . 1 . . . . . 15 LEU CA . 27578 1 120 . 1 . 1 15 15 LEU CB C 13 42.073 0.18 . 1 . . . . . 15 LEU CB . 27578 1 121 . 1 . 1 15 15 LEU N N 15 125.066 0.07 . 1 . . . . . 15 LEU N . 27578 1 122 . 1 . 1 16 16 ALA H H 1 8.073 0.00 . 1 . . . . . 16 ALA H . 27578 1 123 . 1 . 1 16 16 ALA HA H 1 4.265 0.00 . 1 . . . . . 16 ALA HA . 27578 1 124 . 1 . 1 16 16 ALA HB1 H 1 1.334 0.00 . 1 . . . . . 16 ALA HB* . 27578 1 125 . 1 . 1 16 16 ALA HB2 H 1 1.334 0.00 . 1 . . . . . 16 ALA HB* . 27578 1 126 . 1 . 1 16 16 ALA HB3 H 1 1.334 0.00 . 1 . . . . . 16 ALA HB* . 27578 1 127 . 1 . 1 16 16 ALA C C 13 177.370 0.01 . 1 . . . . . 16 ALA C . 27578 1 128 . 1 . 1 16 16 ALA CA C 13 52.413 0.03 . 1 . . . . . 16 ALA CA . 27578 1 129 . 1 . 1 16 16 ALA CB C 13 19.096 0.10 . 1 . . . . . 16 ALA CB . 27578 1 130 . 1 . 1 16 16 ALA N N 15 124.229 0.05 . 1 . . . . . 16 ALA N . 27578 1 131 . 1 . 1 17 17 ARG H H 1 8.116 0.01 . 1 . . . . . 17 ARG H . 27578 1 132 . 1 . 1 17 17 ARG HB2 H 1 1.770 0.00 . 2 . . . . . 17 ARG HB* . 27578 1 133 . 1 . 1 17 17 ARG HB3 H 1 1.770 0.00 . 2 . . . . . 17 ARG HB* . 27578 1 134 . 1 . 1 17 17 ARG CA C 13 56.032 0.00 . 1 . . . . . 17 ARG CA . 27578 1 135 . 1 . 1 17 17 ARG CB C 13 30.363 0.00 . 1 . . . . . 17 ARG CB . 27578 1 136 . 1 . 1 17 17 ARG N N 15 119.847 0.06 . 1 . . . . . 17 ARG N . 27578 1 137 . 1 . 1 23 23 GLY HA2 H 1 3.918 0.00 . 2 . . . . . 23 GLY HA* . 27578 1 138 . 1 . 1 23 23 GLY HA3 H 1 3.918 0.00 . 2 . . . . . 23 GLY HA* . 27578 1 139 . 1 . 1 23 23 GLY C C 13 174.056 0.01 . 1 . . . . . 23 GLY C . 27578 1 140 . 1 . 1 23 23 GLY CA C 13 45.273 0.17 . 1 . . . . . 23 GLY CA . 27578 1 141 . 1 . 1 24 24 ILE H H 1 8.067 0.00 . 1 . . . . . 24 ILE H . 27578 1 142 . 1 . 1 24 24 ILE HA H 1 4.216 0.01 . 1 . . . . . 24 ILE HA . 27578 1 143 . 1 . 1 24 24 ILE HB H 1 1.871 0.00 . 1 . . . . . 24 ILE HB . 27578 1 144 . 1 . 1 24 24 ILE C C 13 176.507 0.07 . 1 . . . . . 24 ILE C . 27578 1 145 . 1 . 1 24 24 ILE CA C 13 61.388 0.11 . 1 . . . . . 24 ILE CA . 27578 1 146 . 1 . 1 24 24 ILE CB C 13 38.372 0.14 . 1 . . . . . 24 ILE CB . 27578 1 147 . 1 . 1 24 24 ILE N N 15 119.970 0.06 . 1 . . . . . 24 ILE N . 27578 1 148 . 1 . 1 25 25 THR H H 1 8.116 0.01 . 1 . . . . . 25 THR H . 27578 1 149 . 1 . 1 25 25 THR HA H 1 4.296 0.01 . 1 . . . . . 25 THR HA . 27578 1 150 . 1 . 1 25 25 THR HB H 1 4.197 0.00 . 1 . . . . . 25 THR HB . 27578 1 151 . 1 . 1 25 25 THR C C 13 174.296 0.00 . 1 . . . . . 25 THR C . 27578 1 152 . 1 . 1 25 25 THR CA C 13 62.036 0.26 . 1 . . . . . 25 THR CA . 27578 1 153 . 1 . 1 25 25 THR CB C 13 69.506 0.09 . 1 . . . . . 25 THR CB . 27578 1 154 . 1 . 1 25 25 THR N N 15 117.188 0.08 . 1 . . . . . 25 THR N . 27578 1 155 . 1 . 1 26 26 ASP H H 1 8.188 0.01 . 1 . . . . . 26 ASP H . 27578 1 156 . 1 . 1 26 26 ASP HA H 1 4.566 0.00 . 1 . . . . . 26 ASP HA . 27578 1 157 . 1 . 1 26 26 ASP HB2 H 1 2.685 0.01 . 2 . . . . . 26 ASP HB2 . 27578 1 158 . 1 . 1 26 26 ASP HB3 H 1 2.627 0.02 . 2 . . . . . 26 ASP HB3 . 27578 1 159 . 1 . 1 26 26 ASP C C 13 176.435 0.00 . 1 . . . . . 26 ASP C . 27578 1 160 . 1 . 1 26 26 ASP CA C 13 54.375 0.14 . 1 . . . . . 26 ASP CA . 27578 1 161 . 1 . 1 26 26 ASP CB C 13 40.917 0.18 . 1 . . . . . 26 ASP CB . 27578 1 162 . 1 . 1 26 26 ASP N N 15 122.653 0.04 . 1 . . . . . 26 ASP N . 27578 1 163 . 1 . 1 27 27 LEU H H 1 8.088 0.01 . 1 . . . . . 27 LEU H . 27578 1 164 . 1 . 1 27 27 LEU HA H 1 4.175 0.00 . 1 . . . . . 27 LEU HA . 27578 1 165 . 1 . 1 27 27 LEU HB2 H 1 1.589 0.00 . 2 . . . . . 27 LEU HB* . 27578 1 166 . 1 . 1 27 27 LEU HB3 H 1 1.589 0.00 . 2 . . . . . 27 LEU HB* . 27578 1 167 . 1 . 1 27 27 LEU C C 13 177.499 0.01 . 1 . . . . . 27 LEU C . 27578 1 168 . 1 . 1 27 27 LEU CA C 13 55.867 0.12 . 1 . . . . . 27 LEU CA . 27578 1 169 . 1 . 1 27 27 LEU CB C 13 41.855 0.19 . 1 . . . . . 27 LEU CB . 27578 1 170 . 1 . 1 27 27 LEU N N 15 122.403 0.09 . 1 . . . . . 27 LEU N . 27578 1 171 . 1 . 1 28 28 ALA H H 1 8.161 0.00 . 1 . . . . . 28 ALA H . 27578 1 172 . 1 . 1 28 28 ALA HA H 1 4.173 0.00 . 1 . . . . . 28 ALA HA . 27578 1 173 . 1 . 1 28 28 ALA HB1 H 1 1.380 0.00 . 1 . . . . . 28 ALA HB* . 27578 1 174 . 1 . 1 28 28 ALA HB2 H 1 1.380 0.00 . 1 . . . . . 28 ALA HB* . 27578 1 175 . 1 . 1 28 28 ALA HB3 H 1 1.380 0.00 . 1 . . . . . 28 ALA HB* . 27578 1 176 . 1 . 1 28 28 ALA C C 13 178.125 0.01 . 1 . . . . . 28 ALA C . 27578 1 177 . 1 . 1 28 28 ALA CA C 13 53.222 0.09 . 1 . . . . . 28 ALA CA . 27578 1 178 . 1 . 1 28 28 ALA CB C 13 18.735 0.14 . 1 . . . . . 28 ALA CB . 27578 1 179 . 1 . 1 28 28 ALA N N 15 122.557 0.06 . 1 . . . . . 28 ALA N . 27578 1 180 . 1 . 1 29 29 CYS H H 1 7.939 0.01 . 1 . . . . . 29 CYS H . 27578 1 181 . 1 . 1 29 29 CYS HA H 1 4.332 0.00 . 1 . . . . . 29 CYS HA . 27578 1 182 . 1 . 1 29 29 CYS HB2 H 1 2.934 0.00 . 2 . . . . . 29 CYS HB* . 27578 1 183 . 1 . 1 29 29 CYS HB3 H 1 2.934 0.00 . 2 . . . . . 29 CYS HB* . 27578 1 184 . 1 . 1 29 29 CYS CA C 13 59.160 0.10 . 1 . . . . . 29 CYS CA . 27578 1 185 . 1 . 1 29 29 CYS CB C 13 27.514 0.14 . 1 . . . . . 29 CYS CB . 27578 1 186 . 1 . 1 29 29 CYS N N 15 116.760 0.06 . 1 . . . . . 29 CYS N . 27578 1 187 . 1 . 1 30 30 LYS H H 1 8.103 0.00 . 1 . . . . . 30 LYS H . 27578 1 188 . 1 . 1 30 30 LYS CA C 13 56.776 0.00 . 1 . . . . . 30 LYS CA . 27578 1 189 . 1 . 1 30 30 LYS N N 15 122.563 0.05 . 1 . . . . . 30 LYS N . 27578 1 190 . 1 . 1 35 35 ASP C C 13 174.943 0.00 . 1 . . . . . 35 ASP C . 27578 1 191 . 1 . 1 35 35 ASP CA C 13 54.703 0.01 . 1 . . . . . 35 ASP CA . 27578 1 192 . 1 . 1 35 35 ASP CB C 13 41.211 0.00 . 1 . . . . . 35 ASP CB . 27578 1 193 . 1 . 1 36 36 ASP H H 1 8.080 0.01 . 1 . . . . . 36 ASP H . 27578 1 194 . 1 . 1 36 36 ASP HA H 1 4.478 0.00 . 1 . . . . . 36 ASP HA . 27578 1 195 . 1 . 1 36 36 ASP HB2 H 1 2.552 0.00 . 2 . . . . . 36 ASP HB* . 27578 1 196 . 1 . 1 36 36 ASP HB3 H 1 2.552 0.00 . 2 . . . . . 36 ASP HB* . 27578 1 197 . 1 . 1 36 36 ASP C C 13 175.529 0.00 . 1 . . . . . 36 ASP C . 27578 1 198 . 1 . 1 36 36 ASP CA C 13 54.207 0.14 . 1 . . . . . 36 ASP CA . 27578 1 199 . 1 . 1 36 36 ASP CB C 13 40.817 0.09 . 1 . . . . . 36 ASP CB . 27578 1 200 . 1 . 1 36 36 ASP N N 15 119.531 0.06 . 1 . . . . . 36 ASP N . 27578 1 201 . 1 . 1 37 37 TRP H H 1 7.872 0.00 . 1 . . . . . 37 TRP H . 27578 1 202 . 1 . 1 37 37 TRP HA H 1 4.479 0.01 . 1 . . . . . 37 TRP HA . 27578 1 203 . 1 . 1 37 37 TRP HB2 H 1 3.127 0.01 . 2 . . . . . 37 TRP HB* . 27578 1 204 . 1 . 1 37 37 TRP HB3 H 1 3.127 0.01 . 2 . . . . . 37 TRP HB* . 27578 1 205 . 1 . 1 37 37 TRP C C 13 174.892 0.01 . 1 . . . . . 37 TRP C . 27578 1 206 . 1 . 1 37 37 TRP CA C 13 57.462 0.07 . 1 . . . . . 37 TRP CA . 27578 1 207 . 1 . 1 37 37 TRP CB C 13 29.447 0.15 . 1 . . . . . 37 TRP CB . 27578 1 208 . 1 . 1 37 37 TRP N N 15 120.886 0.11 . 1 . . . . . 37 TRP N . 27578 1 209 . 1 . 1 38 38 ALA H H 1 7.472 0.01 . 1 . . . . . 38 ALA H . 27578 1 210 . 1 . 1 38 38 ALA HA H 1 4.302 0.00 . 1 . . . . . 38 ALA HA . 27578 1 211 . 1 . 1 38 38 ALA HB1 H 1 1.077 0.00 . 1 . . . . . 38 ALA HB* . 27578 1 212 . 1 . 1 38 38 ALA HB2 H 1 1.077 0.00 . 1 . . . . . 38 ALA HB* . 27578 1 213 . 1 . 1 38 38 ALA HB3 H 1 1.077 0.00 . 1 . . . . . 38 ALA HB* . 27578 1 214 . 1 . 1 38 38 ALA C C 13 174.650 0.00 . 1 . . . . . 38 ALA C . 27578 1 215 . 1 . 1 38 38 ALA CA C 13 50.104 0.10 . 1 . . . . . 38 ALA CA . 27578 1 216 . 1 . 1 38 38 ALA CB C 13 18.430 0.00 . 1 . . . . . 38 ALA CB . 27578 1 217 . 1 . 1 38 38 ALA N N 15 127.288 0.06 . 1 . . . . . 38 ALA N . 27578 1 218 . 1 . 1 39 39 PRO HA H 1 4.089 0.00 . 1 . . . . . 39 PRO HA . 27578 1 219 . 1 . 1 39 39 PRO C C 13 177.078 0.01 . 1 . . . . . 39 PRO C . 27578 1 220 . 1 . 1 39 39 PRO CA C 13 63.365 0.16 . 1 . . . . . 39 PRO CA . 27578 1 221 . 1 . 1 39 39 PRO CB C 13 31.608 0.13 . 1 . . . . . 39 PRO CB . 27578 1 222 . 1 . 1 40 40 GLU H H 1 8.406 0.01 . 1 . . . . . 40 GLU H . 27578 1 223 . 1 . 1 40 40 GLU C C 13 176.381 0.13 . 1 . . . . . 40 GLU C . 27578 1 224 . 1 . 1 40 40 GLU CA C 13 56.974 0.15 . 1 . . . . . 40 GLU CA . 27578 1 225 . 1 . 1 40 40 GLU CB C 13 29.473 0.11 . 1 . . . . . 40 GLU CB . 27578 1 226 . 1 . 1 40 40 GLU N N 15 118.852 0.07 . 1 . . . . . 40 GLU N . 27578 1 227 . 1 . 1 41 41 TYR H H 1 7.807 0.00 . 1 . . . . . 41 TYR H . 27578 1 228 . 1 . 1 41 41 TYR HA H 1 4.479 0.01 . 1 . . . . . 41 TYR HA . 27578 1 229 . 1 . 1 41 41 TYR C C 13 175.608 0.01 . 1 . . . . . 41 TYR C . 27578 1 230 . 1 . 1 41 41 TYR CA C 13 57.690 0.04 . 1 . . . . . 41 TYR CA . 27578 1 231 . 1 . 1 41 41 TYR CB C 13 38.229 0.14 . 1 . . . . . 41 TYR CB . 27578 1 232 . 1 . 1 41 41 TYR N N 15 119.630 0.07 . 1 . . . . . 41 TYR N . 27578 1 233 . 1 . 1 42 42 ASP H H 1 8.003 0.00 . 1 . . . . . 42 ASP H . 27578 1 234 . 1 . 1 42 42 ASP C C 13 176.303 0.03 . 1 . . . . . 42 ASP C . 27578 1 235 . 1 . 1 42 42 ASP CA C 13 54.659 0.06 . 1 . . . . . 42 ASP CA . 27578 1 236 . 1 . 1 42 42 ASP CB C 13 41.023 0.13 . 1 . . . . . 42 ASP CB . 27578 1 237 . 1 . 1 42 42 ASP N N 15 120.950 0.06 . 1 . . . . . 42 ASP N . 27578 1 238 . 1 . 1 43 43 GLN H H 1 7.997 0.00 . 1 . . . . . 43 GLN H . 27578 1 239 . 1 . 1 43 43 GLN C C 13 175.910 0.03 . 1 . . . . . 43 GLN C . 27578 1 240 . 1 . 1 43 43 GLN CA C 13 56.416 0.08 . 1 . . . . . 43 GLN CA . 27578 1 241 . 1 . 1 43 43 GLN CB C 13 28.963 0.13 . 1 . . . . . 43 GLN CB . 27578 1 242 . 1 . 1 43 43 GLN N N 15 119.220 0.08 . 1 . . . . . 43 GLN N . 27578 1 243 . 1 . 1 44 44 ASP H H 1 8.120 0.01 . 1 . . . . . 44 ASP H . 27578 1 244 . 1 . 1 44 44 ASP CA C 13 54.291 0.18 . 1 . . . . . 44 ASP CA . 27578 1 245 . 1 . 1 44 44 ASP CB C 13 40.822 0.06 . 1 . . . . . 44 ASP CB . 27578 1 246 . 1 . 1 44 44 ASP N N 15 120.724 0.10 . 1 . . . . . 44 ASP N . 27578 1 247 . 1 . 1 45 45 VAL C C 13 177.415 0.01 . 1 . . . . . 45 VAL C . 27578 1 248 . 1 . 1 45 45 VAL CA C 13 64.639 0.05 . 1 . . . . . 45 VAL CA . 27578 1 249 . 1 . 1 45 45 VAL CB C 13 30.675 0.10 . 1 . . . . . 45 VAL CB . 27578 1 250 . 1 . 1 46 46 ALA H H 1 8.152 0.00 . 1 . . . . . 46 ALA H . 27578 1 251 . 1 . 1 46 46 ALA HB1 H 1 1.434 0.00 . 1 . . . . . 46 ALA HB* . 27578 1 252 . 1 . 1 46 46 ALA HB2 H 1 1.434 0.00 . 1 . . . . . 46 ALA HB* . 27578 1 253 . 1 . 1 46 46 ALA HB3 H 1 1.434 0.00 . 1 . . . . . 46 ALA HB* . 27578 1 254 . 1 . 1 46 46 ALA C C 13 178.865 0.01 . 1 . . . . . 46 ALA C . 27578 1 255 . 1 . 1 46 46 ALA CA C 13 54.145 0.15 . 1 . . . . . 46 ALA CA . 27578 1 256 . 1 . 1 46 46 ALA CB C 13 18.399 0.08 . 1 . . . . . 46 ALA CB . 27578 1 257 . 1 . 1 46 46 ALA N N 15 123.650 0.07 . 1 . . . . . 46 ALA N . 27578 1 258 . 1 . 1 47 47 ALA H H 1 7.740 0.01 . 1 . . . . . 47 ALA H . 27578 1 259 . 1 . 1 47 47 ALA HA H 1 4.452 0.00 . 1 . . . . . 47 ALA HA . 27578 1 260 . 1 . 1 47 47 ALA HB1 H 1 1.447 0.01 . 1 . . . . . 47 ALA HB* . 27578 1 261 . 1 . 1 47 47 ALA HB2 H 1 1.447 0.01 . 1 . . . . . 47 ALA HB* . 27578 1 262 . 1 . 1 47 47 ALA HB3 H 1 1.447 0.01 . 1 . . . . . 47 ALA HB* . 27578 1 263 . 1 . 1 47 47 ALA C C 13 179.194 0.02 . 1 . . . . . 47 ALA C . 27578 1 264 . 1 . 1 47 47 ALA CA C 13 53.273 0.12 . 1 . . . . . 47 ALA CA . 27578 1 265 . 1 . 1 47 47 ALA CB C 13 18.579 0.15 . 1 . . . . . 47 ALA CB . 27578 1 266 . 1 . 1 47 47 ALA N N 15 119.182 0.06 . 1 . . . . . 47 ALA N . 27578 1 267 . 1 . 1 48 48 LEU H H 1 7.799 0.00 . 1 . . . . . 48 LEU H . 27578 1 268 . 1 . 1 48 48 LEU HA H 1 4.732 0.00 . 1 . . . . . 48 LEU HA . 27578 1 269 . 1 . 1 48 48 LEU C C 13 178.746 0.00 . 1 . . . . . 48 LEU C . 27578 1 270 . 1 . 1 48 48 LEU CA C 13 56.460 0.00 . 1 . . . . . 48 LEU CA . 27578 1 271 . 1 . 1 48 48 LEU CB C 13 41.334 0.00 . 1 . . . . . 48 LEU CB . 27578 1 272 . 1 . 1 48 48 LEU N N 15 118.802 0.10 . 1 . . . . . 48 LEU N . 27578 1 273 . 1 . 1 50 50 TYR C C 13 176.845 0.00 . 1 . . . . . 50 TYR C . 27578 1 274 . 1 . 1 50 50 TYR CA C 13 55.479 0.10 . 1 . . . . . 50 TYR CA . 27578 1 275 . 1 . 1 51 51 ARG H H 1 7.933 0.01 . 1 . . . . . 51 ARG H . 27578 1 276 . 1 . 1 51 51 ARG HB2 H 1 1.810 0.00 . 2 . . . . . 51 ARG HB2 . 27578 1 277 . 1 . 1 51 51 ARG HB3 H 1 1.712 0.00 . 2 . . . . . 51 ARG HB3 . 27578 1 278 . 1 . 1 51 51 ARG C C 13 175.325 0.29 . 1 . . . . . 51 ARG C . 27578 1 279 . 1 . 1 51 51 ARG CA C 13 55.942 0.11 . 1 . . . . . 51 ARG CA . 27578 1 280 . 1 . 1 51 51 ARG CB C 13 34.508 5.45 . 1 . . . . . 51 ARG CB . 27578 1 281 . 1 . 1 51 51 ARG N N 15 120.285 0.10 . 1 . . . . . 51 ARG N . 27578 1 282 . 1 . 1 52 52 ALA H H 1 7.997 0.00 . 1 . . . . . 52 ALA H . 27578 1 283 . 1 . 1 52 52 ALA CA C 13 52.526 0.09 . 1 . . . . . 52 ALA CA . 27578 1 284 . 1 . 1 52 52 ALA N N 15 122.427 0.09 . 1 . . . . . 52 ALA N . 27578 1 285 . 1 . 1 55 55 LEU C C 13 180.081 0.00 . 1 . . . . . 55 LEU C . 27578 1 286 . 1 . 1 55 55 LEU CA C 13 57.593 0.05 . 1 . . . . . 55 LEU CA . 27578 1 287 . 1 . 1 55 55 LEU CB C 13 42.285 0.00 . 1 . . . . . 55 LEU CB . 27578 1 288 . 1 . 1 56 56 ALA H H 1 8.511 0.01 . 1 . . . . . 56 ALA H . 27578 1 289 . 1 . 1 56 56 ALA C C 13 178.540 0.03 . 1 . . . . . 56 ALA C . 27578 1 290 . 1 . 1 56 56 ALA CA C 13 55.916 0.25 . 1 . . . . . 56 ALA CA . 27578 1 291 . 1 . 1 56 56 ALA CB C 13 19.084 0.08 . 1 . . . . . 56 ALA CB . 27578 1 292 . 1 . 1 56 56 ALA N N 15 122.259 0.09 . 1 . . . . . 56 ALA N . 27578 1 293 . 1 . 1 57 57 VAL H H 1 8.237 0.00 . 1 . . . . . 57 VAL H . 27578 1 294 . 1 . 1 57 57 VAL C C 13 178.297 0.08 . 1 . . . . . 57 VAL C . 27578 1 295 . 1 . 1 57 57 VAL CA C 13 66.883 0.08 . 1 . . . . . 57 VAL CA . 27578 1 296 . 1 . 1 57 57 VAL CB C 13 30.342 0.00 . 1 . . . . . 57 VAL CB . 27578 1 297 . 1 . 1 57 57 VAL N N 15 116.510 0.12 . 1 . . . . . 57 VAL N . 27578 1 298 . 1 . 1 58 58 ASP H H 1 8.626 0.00 . 1 . . . . . 58 ASP H . 27578 1 299 . 1 . 1 58 58 ASP C C 13 177.400 0.07 . 1 . . . . . 58 ASP C . 27578 1 300 . 1 . 1 58 58 ASP CA C 13 58.286 0.15 . 1 . . . . . 58 ASP CA . 27578 1 301 . 1 . 1 58 58 ASP CB C 13 41.684 0.00 . 1 . . . . . 58 ASP CB . 27578 1 302 . 1 . 1 58 58 ASP N N 15 123.489 0.11 . 1 . . . . . 58 ASP N . 27578 1 303 . 1 . 1 59 59 CYS H H 1 7.655 0.00 . 1 . . . . . 59 CYS H . 27578 1 304 . 1 . 1 59 59 CYS C C 13 176.570 0.02 . 1 . . . . . 59 CYS C . 27578 1 305 . 1 . 1 59 59 CYS CA C 13 62.933 0.11 . 1 . . . . . 59 CYS CA . 27578 1 306 . 1 . 1 59 59 CYS CB C 13 26.479 0.00 . 1 . . . . . 59 CYS CB . 27578 1 307 . 1 . 1 59 59 CYS N N 15 117.996 0.06 . 1 . . . . . 59 CYS N . 27578 1 308 . 1 . 1 60 60 LEU H H 1 7.878 0.01 . 1 . . . . . 60 LEU H . 27578 1 309 . 1 . 1 60 60 LEU HA H 1 3.910 0.00 . 1 . . . . . 60 LEU HA . 27578 1 310 . 1 . 1 60 60 LEU C C 13 177.945 0.02 . 1 . . . . . 60 LEU C . 27578 1 311 . 1 . 1 60 60 LEU CA C 13 58.970 0.09 . 1 . . . . . 60 LEU CA . 27578 1 312 . 1 . 1 60 60 LEU CB C 13 42.674 0.09 . 1 . . . . . 60 LEU CB . 27578 1 313 . 1 . 1 60 60 LEU N N 15 118.891 0.18 . 1 . . . . . 60 LEU N . 27578 1 314 . 1 . 1 61 61 SER H H 1 8.919 0.00 . 1 . . . . . 61 SER H . 27578 1 315 . 1 . 1 61 61 SER HA H 1 3.935 0.00 . 1 . . . . . 61 SER HA . 27578 1 316 . 1 . 1 61 61 SER C C 13 176.629 0.00 . 1 . . . . . 61 SER C . 27578 1 317 . 1 . 1 61 61 SER CA C 13 62.527 0.10 . 1 . . . . . 61 SER CA . 27578 1 318 . 1 . 1 61 61 SER CB C 13 63.111 0.11 . 1 . . . . . 61 SER CB . 27578 1 319 . 1 . 1 61 61 SER N N 15 112.530 0.07 . 1 . . . . . 61 SER N . 27578 1 320 . 1 . 1 62 62 ARG H H 1 7.818 0.00 . 1 . . . . . 62 ARG H . 27578 1 321 . 1 . 1 62 62 ARG HA H 1 4.155 0.00 . 1 . . . . . 62 ARG HA . 27578 1 322 . 1 . 1 62 62 ARG C C 13 177.216 0.01 . 1 . . . . . 62 ARG C . 27578 1 323 . 1 . 1 62 62 ARG CA C 13 58.535 0.14 . 1 . . . . . 62 ARG CA . 27578 1 324 . 1 . 1 62 62 ARG CB C 13 30.237 0.10 . 1 . . . . . 62 ARG CB . 27578 1 325 . 1 . 1 62 62 ARG N N 15 119.169 0.09 . 1 . . . . . 62 ARG N . 27578 1 326 . 1 . 1 63 63 ALA H H 1 7.203 0.00 . 1 . . . . . 63 ALA H . 27578 1 327 . 1 . 1 63 63 ALA HA H 1 4.371 0.01 . 1 . . . . . 63 ALA HA . 27578 1 328 . 1 . 1 63 63 ALA HB1 H 1 1.371 0.01 . 1 . . . . . 63 ALA HB* . 27578 1 329 . 1 . 1 63 63 ALA HB2 H 1 1.371 0.01 . 1 . . . . . 63 ALA HB* . 27578 1 330 . 1 . 1 63 63 ALA HB3 H 1 1.371 0.01 . 1 . . . . . 63 ALA HB* . 27578 1 331 . 1 . 1 63 63 ALA C C 13 176.750 0.04 . 1 . . . . . 63 ALA C . 27578 1 332 . 1 . 1 63 63 ALA CA C 13 51.933 0.07 . 1 . . . . . 63 ALA CA . 27578 1 333 . 1 . 1 63 63 ALA CB C 13 21.489 0.17 . 1 . . . . . 63 ALA CB . 27578 1 334 . 1 . 1 63 63 ALA N N 15 119.156 0.10 . 1 . . . . . 63 ALA N . 27578 1 335 . 1 . 1 64 64 PHE H H 1 7.709 0.01 . 1 . . . . . 64 PHE H . 27578 1 336 . 1 . 1 64 64 PHE C C 13 175.389 0.04 . 1 . . . . . 64 PHE C . 27578 1 337 . 1 . 1 64 64 PHE CA C 13 60.177 0.14 . 1 . . . . . 64 PHE CA . 27578 1 338 . 1 . 1 64 64 PHE CB C 13 39.418 0.09 . 1 . . . . . 64 PHE CB . 27578 1 339 . 1 . 1 64 64 PHE N N 15 120.744 0.08 . 1 . . . . . 64 PHE N . 27578 1 340 . 1 . 1 65 65 ARG H H 1 8.096 0.01 . 1 . . . . . 65 ARG H . 27578 1 341 . 1 . 1 65 65 ARG HA H 1 4.421 0.02 . 1 . . . . . 65 ARG HA . 27578 1 342 . 1 . 1 65 65 ARG HB2 H 1 1.776 0.00 . 2 . . . . . 65 ARG HB2 . 27578 1 343 . 1 . 1 65 65 ARG HB3 H 1 1.547 0.00 . 2 . . . . . 65 ARG HB3 . 27578 1 344 . 1 . 1 65 65 ARG C C 13 175.370 0.09 . 1 . . . . . 65 ARG C . 27578 1 345 . 1 . 1 65 65 ARG CA C 13 55.183 0.09 . 1 . . . . . 65 ARG CA . 27578 1 346 . 1 . 1 65 65 ARG CB C 13 30.793 0.00 . 1 . . . . . 65 ARG CB . 27578 1 347 . 1 . 1 65 65 ARG N N 15 127.679 0.11 . 1 . . . . . 65 ARG N . 27578 1 348 . 1 . 1 66 66 GLY H H 1 6.608 0.01 . 1 . . . . . 66 GLY H . 27578 1 349 . 1 . 1 66 66 GLY C C 13 172.646 0.02 . 1 . . . . . 66 GLY C . 27578 1 350 . 1 . 1 66 66 GLY CA C 13 43.788 0.15 . 1 . . . . . 66 GLY CA . 27578 1 351 . 1 . 1 66 66 GLY N N 15 107.662 0.11 . 1 . . . . . 66 GLY N . 27578 1 352 . 1 . 1 67 67 SER H H 1 8.567 0.00 . 1 . . . . . 67 SER H . 27578 1 353 . 1 . 1 67 67 SER HA H 1 4.886 0.01 . 1 . . . . . 67 SER HA . 27578 1 354 . 1 . 1 67 67 SER HB2 H 1 3.831 0.00 . 2 . . . . . 67 SER HB2 . 27578 1 355 . 1 . 1 67 67 SER HB3 H 1 3.740 0.00 . 2 . . . . . 67 SER HB3 . 27578 1 356 . 1 . 1 67 67 SER C C 13 176.333 0.00 . 1 . . . . . 67 SER C . 27578 1 357 . 1 . 1 67 67 SER CA C 13 54.941 0.13 . 1 . . . . . 67 SER CA . 27578 1 358 . 1 . 1 67 67 SER CB C 13 63.506 0.01 . 1 . . . . . 67 SER CB . 27578 1 359 . 1 . 1 67 67 SER N N 15 115.703 0.10 . 1 . . . . . 67 SER N . 27578 1 360 . 1 . 1 68 68 PRO HA H 1 3.638 0.00 . 1 . . . . . 68 PRO HA . 27578 1 361 . 1 . 1 68 68 PRO C C 13 177.073 0.01 . 1 . . . . . 68 PRO C . 27578 1 362 . 1 . 1 68 68 PRO CA C 13 65.391 0.04 . 1 . . . . . 68 PRO CA . 27578 1 363 . 1 . 1 68 68 PRO CB C 13 30.638 0.00 . 1 . . . . . 68 PRO CB . 27578 1 364 . 1 . 1 69 69 HIS H H 1 7.573 0.00 . 1 . . . . . 69 HIS H . 27578 1 365 . 1 . 1 69 69 HIS HA H 1 4.300 0.00 . 1 . . . . . 69 HIS HA . 27578 1 366 . 1 . 1 69 69 HIS HB3 H 1 3.115 0.00 . 2 . . . . . 69 HIS HB3 . 27578 1 367 . 1 . 1 69 69 HIS C C 13 175.278 0.03 . 1 . . . . . 69 HIS C . 27578 1 368 . 1 . 1 69 69 HIS CA C 13 58.475 0.13 . 1 . . . . . 69 HIS CA . 27578 1 369 . 1 . 1 69 69 HIS CB C 13 29.457 0.17 . 1 . . . . . 69 HIS CB . 27578 1 370 . 1 . 1 69 69 HIS N N 15 112.962 0.09 . 1 . . . . . 69 HIS N . 27578 1 371 . 1 . 1 70 70 ASP H H 1 7.228 0.00 . 1 . . . . . 70 ASP H . 27578 1 372 . 1 . 1 70 70 ASP HA H 1 4.743 0.01 . 1 . . . . . 70 ASP HA . 27578 1 373 . 1 . 1 70 70 ASP HB2 H 1 2.704 0.00 . 2 . . . . . 70 ASP HB2 . 27578 1 374 . 1 . 1 70 70 ASP HB3 H 1 2.458 0.02 . 2 . . . . . 70 ASP HB3 . 27578 1 375 . 1 . 1 70 70 ASP C C 13 175.435 0.07 . 1 . . . . . 70 ASP C . 27578 1 376 . 1 . 1 70 70 ASP CA C 13 53.552 0.10 . 1 . . . . . 70 ASP CA . 27578 1 377 . 1 . 1 70 70 ASP CB C 13 42.077 0.11 . 1 . . . . . 70 ASP CB . 27578 1 378 . 1 . 1 70 70 ASP N N 15 115.598 0.07 . 1 . . . . . 70 ASP N . 27578 1 379 . 1 . 1 71 71 ALA H H 1 7.142 0.00 . 1 . . . . . 71 ALA H . 27578 1 380 . 1 . 1 71 71 ALA HA H 1 4.430 0.00 . 1 . . . . . 71 ALA HA . 27578 1 381 . 1 . 1 71 71 ALA HB1 H 1 1.505 0.01 . 1 . . . . . 71 ALA HB* . 27578 1 382 . 1 . 1 71 71 ALA HB2 H 1 1.505 0.01 . 1 . . . . . 71 ALA HB* . 27578 1 383 . 1 . 1 71 71 ALA HB3 H 1 1.505 0.01 . 1 . . . . . 71 ALA HB* . 27578 1 384 . 1 . 1 71 71 ALA C C 13 175.800 0.00 . 1 . . . . . 71 ALA C . 27578 1 385 . 1 . 1 71 71 ALA CA C 13 51.766 0.11 . 1 . . . . . 71 ALA CA . 27578 1 386 . 1 . 1 71 71 ALA CB C 13 21.082 0.16 . 1 . . . . . 71 ALA CB . 27578 1 387 . 1 . 1 71 71 ALA N N 15 123.175 0.07 . 1 . . . . . 71 ALA N . 27578 1 388 . 1 . 1 72 72 LEU H H 1 9.969 0.01 . 1 . . . . . 72 LEU H . 27578 1 389 . 1 . 1 72 72 LEU HA H 1 5.118 0.02 . 1 . . . . . 72 LEU HA . 27578 1 390 . 1 . 1 72 72 LEU HB2 H 1 1.981 0.00 . 2 . . . . . 72 LEU HB2 . 27578 1 391 . 1 . 1 72 72 LEU HB3 H 1 1.610 0.00 . 2 . . . . . 72 LEU HB3 . 27578 1 392 . 1 . 1 72 72 LEU C C 13 176.163 0.00 . 1 . . . . . 72 LEU C . 27578 1 393 . 1 . 1 72 72 LEU CA C 13 54.990 0.11 . 1 . . . . . 72 LEU CA . 27578 1 394 . 1 . 1 72 72 LEU CB C 13 44.050 0.18 . 1 . . . . . 72 LEU CB . 27578 1 395 . 1 . 1 72 72 LEU N N 15 124.528 0.10 . 1 . . . . . 72 LEU N . 27578 1 396 . 1 . 1 73 73 ILE H H 1 8.293 0.01 . 1 . . . . . 73 ILE H . 27578 1 397 . 1 . 1 73 73 ILE C C 13 173.803 0.01 . 1 . . . . . 73 ILE C . 27578 1 398 . 1 . 1 73 73 ILE CA C 13 57.790 0.09 . 1 . . . . . 73 ILE CA . 27578 1 399 . 1 . 1 73 73 ILE CB C 13 42.029 0.00 . 1 . . . . . 73 ILE CB . 27578 1 400 . 1 . 1 73 73 ILE N N 15 127.337 0.13 . 1 . . . . . 73 ILE N . 27578 1 401 . 1 . 1 74 74 LEU H H 1 8.144 0.01 . 1 . . . . . 74 LEU H . 27578 1 402 . 1 . 1 74 74 LEU C C 13 172.814 0.00 . 1 . . . . . 74 LEU C . 27578 1 403 . 1 . 1 74 74 LEU CA C 13 52.913 0.10 . 1 . . . . . 74 LEU CA . 27578 1 404 . 1 . 1 74 74 LEU CB C 13 41.532 0.14 . 1 . . . . . 74 LEU CB . 27578 1 405 . 1 . 1 74 74 LEU N N 15 127.525 0.09 . 1 . . . . . 74 LEU N . 27578 1 406 . 1 . 1 75 75 ASP H H 1 9.042 0.01 . 1 . . . . . 75 ASP H . 27578 1 407 . 1 . 1 75 75 ASP C C 13 175.876 0.01 . 1 . . . . . 75 ASP C . 27578 1 408 . 1 . 1 75 75 ASP CA C 13 52.486 0.09 . 1 . . . . . 75 ASP CA . 27578 1 409 . 1 . 1 75 75 ASP CB C 13 42.484 0.02 . 1 . . . . . 75 ASP CB . 27578 1 410 . 1 . 1 75 75 ASP N N 15 128.554 0.08 . 1 . . . . . 75 ASP N . 27578 1 411 . 1 . 1 76 76 VAL H H 1 8.853 0.01 . 1 . . . . . 76 VAL H . 27578 1 412 . 1 . 1 76 76 VAL C C 13 175.034 0.03 . 1 . . . . . 76 VAL C . 27578 1 413 . 1 . 1 76 76 VAL CA C 13 62.414 0.11 . 1 . . . . . 76 VAL CA . 27578 1 414 . 1 . 1 76 76 VAL CB C 13 31.745 0.00 . 1 . . . . . 76 VAL CB . 27578 1 415 . 1 . 1 76 76 VAL N N 15 124.623 0.11 . 1 . . . . . 76 VAL N . 27578 1 416 . 1 . 1 77 77 ALA H H 1 7.828 0.01 . 1 . . . . . 77 ALA H . 27578 1 417 . 1 . 1 77 77 ALA C C 13 177.239 0.04 . 1 . . . . . 77 ALA C . 27578 1 418 . 1 . 1 77 77 ALA CA C 13 53.140 0.18 . 1 . . . . . 77 ALA CA . 27578 1 419 . 1 . 1 77 77 ALA CB C 13 16.680 0.15 . 1 . . . . . 77 ALA CB . 27578 1 420 . 1 . 1 77 77 ALA N N 15 127.493 0.10 . 1 . . . . . 77 ALA N . 27578 1 421 . 1 . 1 78 78 CYS H H 1 8.015 0.01 . 1 . . . . . 78 CYS H . 27578 1 422 . 1 . 1 78 78 CYS C C 13 176.478 0.02 . 1 . . . . . 78 CYS C . 27578 1 423 . 1 . 1 78 78 CYS CA C 13 57.945 0.13 . 1 . . . . . 78 CYS CA . 27578 1 424 . 1 . 1 78 78 CYS CB C 13 28.699 0.00 . 1 . . . . . 78 CYS CB . 27578 1 425 . 1 . 1 78 78 CYS N N 15 114.766 0.09 . 1 . . . . . 78 CYS N . 27578 1 426 . 1 . 1 79 79 GLY H H 1 9.378 0.00 . 1 . . . . . 79 GLY H . 27578 1 427 . 1 . 1 79 79 GLY C C 13 172.853 0.02 . 1 . . . . . 79 GLY C . 27578 1 428 . 1 . 1 79 79 GLY CA C 13 48.187 0.10 . 1 . . . . . 79 GLY CA . 27578 1 429 . 1 . 1 79 79 GLY N N 15 118.330 0.08 . 1 . . . . . 79 GLY N . 27578 1 430 . 1 . 1 80 80 THR H H 1 8.197 0.01 . 1 . . . . . 80 THR H . 27578 1 431 . 1 . 1 80 80 THR C C 13 176.625 0.05 . 1 . . . . . 80 THR C . 27578 1 432 . 1 . 1 80 80 THR CA C 13 62.075 0.22 . 1 . . . . . 80 THR CA . 27578 1 433 . 1 . 1 80 80 THR CB C 13 69.231 0.06 . 1 . . . . . 80 THR CB . 27578 1 434 . 1 . 1 80 80 THR N N 15 111.456 0.07 . 1 . . . . . 80 THR N . 27578 1 435 . 1 . 1 81 81 GLY H H 1 8.688 0.00 . 1 . . . . . 81 GLY H . 27578 1 436 . 1 . 1 81 81 GLY C C 13 175.166 0.00 . 1 . . . . . 81 GLY C . 27578 1 437 . 1 . 1 81 81 GLY CA C 13 47.092 0.08 . 1 . . . . . 81 GLY CA . 27578 1 438 . 1 . 1 81 81 GLY N N 15 109.952 0.07 . 1 . . . . . 81 GLY N . 27578 1 439 . 1 . 1 82 82 LEU H H 1 8.024 0.00 . 1 . . . . . 82 LEU H . 27578 1 440 . 1 . 1 82 82 LEU C C 13 180.317 0.02 . 1 . . . . . 82 LEU C . 27578 1 441 . 1 . 1 82 82 LEU CA C 13 58.261 0.21 . 1 . . . . . 82 LEU CA . 27578 1 442 . 1 . 1 82 82 LEU CB C 13 41.825 0.08 . 1 . . . . . 82 LEU CB . 27578 1 443 . 1 . 1 82 82 LEU N N 15 117.835 0.06 . 1 . . . . . 82 LEU N . 27578 1 444 . 1 . 1 83 83 VAL H H 1 9.557 0.01 . 1 . . . . . 83 VAL H . 27578 1 445 . 1 . 1 83 83 VAL HA H 1 3.432 0.00 . 1 . . . . . 83 VAL HA . 27578 1 446 . 1 . 1 83 83 VAL C C 13 178.371 0.06 . 1 . . . . . 83 VAL C . 27578 1 447 . 1 . 1 83 83 VAL CA C 13 66.644 0.16 . 1 . . . . . 83 VAL CA . 27578 1 448 . 1 . 1 83 83 VAL CB C 13 29.666 0.08 . 1 . . . . . 83 VAL CB . 27578 1 449 . 1 . 1 83 83 VAL N N 15 118.262 0.06 . 1 . . . . . 83 VAL N . 27578 1 450 . 1 . 1 84 84 ALA H H 1 6.727 0.00 . 1 . . . . . 84 ALA H . 27578 1 451 . 1 . 1 84 84 ALA HA H 1 3.799 0.00 . 1 . . . . . 84 ALA HA . 27578 1 452 . 1 . 1 84 84 ALA HB1 H 1 0.917 0.00 . 1 . . . . . 84 ALA HB* . 27578 1 453 . 1 . 1 84 84 ALA HB2 H 1 0.917 0.00 . 1 . . . . . 84 ALA HB* . 27578 1 454 . 1 . 1 84 84 ALA HB3 H 1 0.917 0.00 . 1 . . . . . 84 ALA HB* . 27578 1 455 . 1 . 1 84 84 ALA C C 13 179.037 0.01 . 1 . . . . . 84 ALA C . 27578 1 456 . 1 . 1 84 84 ALA CA C 13 55.573 0.15 . 1 . . . . . 84 ALA CA . 27578 1 457 . 1 . 1 84 84 ALA CB C 13 18.593 0.10 . 1 . . . . . 84 ALA CB . 27578 1 458 . 1 . 1 84 84 ALA N N 15 120.664 0.08 . 1 . . . . . 84 ALA N . 27578 1 459 . 1 . 1 85 85 VAL H H 1 7.360 0.01 . 1 . . . . . 85 VAL H . 27578 1 460 . 1 . 1 85 85 VAL HA H 1 3.361 0.00 . 1 . . . . . 85 VAL HA . 27578 1 461 . 1 . 1 85 85 VAL C C 13 178.906 0.04 . 1 . . . . . 85 VAL C . 27578 1 462 . 1 . 1 85 85 VAL CA C 13 66.311 0.07 . 1 . . . . . 85 VAL CA . 27578 1 463 . 1 . 1 85 85 VAL CB C 13 31.658 0.00 . 1 . . . . . 85 VAL CB . 27578 1 464 . 1 . 1 85 85 VAL N N 15 117.864 0.08 . 1 . . . . . 85 VAL N . 27578 1 465 . 1 . 1 86 86 GLU H H 1 7.032 0.00 . 1 . . . . . 86 GLU H . 27578 1 466 . 1 . 1 86 86 GLU C C 13 179.608 0.02 . 1 . . . . . 86 GLU C . 27578 1 467 . 1 . 1 86 86 GLU CA C 13 57.740 0.12 . 1 . . . . . 86 GLU CA . 27578 1 468 . 1 . 1 86 86 GLU N N 15 117.784 0.06 . 1 . . . . . 86 GLU N . 27578 1 469 . 1 . 1 87 87 LEU H H 1 8.872 0.00 . 1 . . . . . 87 LEU H . 27578 1 470 . 1 . 1 87 87 LEU C C 13 179.535 0.05 . 1 . . . . . 87 LEU C . 27578 1 471 . 1 . 1 87 87 LEU CA C 13 58.137 0.06 . 1 . . . . . 87 LEU CA . 27578 1 472 . 1 . 1 87 87 LEU N N 15 121.330 0.09 . 1 . . . . . 87 LEU N . 27578 1 473 . 1 . 1 88 88 GLN H H 1 8.488 0.01 . 1 . . . . . 88 GLN H . 27578 1 474 . 1 . 1 88 88 GLN HA H 1 3.841 0.00 . 1 . . . . . 88 GLN HA . 27578 1 475 . 1 . 1 88 88 GLN C C 13 179.763 0.02 . 1 . . . . . 88 GLN C . 27578 1 476 . 1 . 1 88 88 GLN CA C 13 59.801 0.18 . 1 . . . . . 88 GLN CA . 27578 1 477 . 1 . 1 88 88 GLN CB C 13 26.633 0.21 . 1 . . . . . 88 GLN CB . 27578 1 478 . 1 . 1 88 88 GLN N N 15 120.769 0.09 . 1 . . . . . 88 GLN N . 27578 1 479 . 1 . 1 89 89 ALA H H 1 7.422 0.00 . 1 . . . . . 89 ALA H . 27578 1 480 . 1 . 1 89 89 ALA HA H 1 4.129 0.00 . 1 . . . . . 89 ALA HA . 27578 1 481 . 1 . 1 89 89 ALA HB1 H 1 1.523 0.01 . 1 . . . . . 89 ALA HB* . 27578 1 482 . 1 . 1 89 89 ALA HB2 H 1 1.523 0.01 . 1 . . . . . 89 ALA HB* . 27578 1 483 . 1 . 1 89 89 ALA HB3 H 1 1.523 0.01 . 1 . . . . . 89 ALA HB* . 27578 1 484 . 1 . 1 89 89 ALA C C 13 178.646 0.02 . 1 . . . . . 89 ALA C . 27578 1 485 . 1 . 1 89 89 ALA CA C 13 54.354 0.13 . 1 . . . . . 89 ALA CA . 27578 1 486 . 1 . 1 89 89 ALA CB C 13 17.972 0.06 . 1 . . . . . 89 ALA CB . 27578 1 487 . 1 . 1 89 89 ALA N N 15 121.419 0.10 . 1 . . . . . 89 ALA N . 27578 1 488 . 1 . 1 90 90 ARG H H 1 7.292 0.01 . 1 . . . . . 90 ARG H . 27578 1 489 . 1 . 1 90 90 ARG HA H 1 4.505 0.00 . 1 . . . . . 90 ARG HA . 27578 1 490 . 1 . 1 90 90 ARG C C 13 175.399 0.06 . 1 . . . . . 90 ARG C . 27578 1 491 . 1 . 1 90 90 ARG CA C 13 53.656 0.05 . 1 . . . . . 90 ARG CA . 27578 1 492 . 1 . 1 90 90 ARG CB C 13 29.302 0.14 . 1 . . . . . 90 ARG CB . 27578 1 493 . 1 . 1 90 90 ARG N N 15 114.666 0.10 . 1 . . . . . 90 ARG N . 27578 1 494 . 1 . 1 91 91 GLY H H 1 7.631 0.00 . 1 . . . . . 91 GLY H . 27578 1 495 . 1 . 1 91 91 GLY C C 13 173.428 0.04 . 1 . . . . . 91 GLY C . 27578 1 496 . 1 . 1 91 91 GLY CA C 13 45.027 0.17 . 1 . . . . . 91 GLY CA . 27578 1 497 . 1 . 1 91 91 GLY N N 15 105.592 0.07 . 1 . . . . . 91 GLY N . 27578 1 498 . 1 . 1 92 92 PHE H H 1 7.768 0.00 . 1 . . . . . 92 PHE H . 27578 1 499 . 1 . 1 92 92 PHE C C 13 174.296 0.02 . 1 . . . . . 92 PHE C . 27578 1 500 . 1 . 1 92 92 PHE CA C 13 57.185 0.17 . 1 . . . . . 92 PHE CA . 27578 1 501 . 1 . 1 92 92 PHE CB C 13 37.192 0.12 . 1 . . . . . 92 PHE CB . 27578 1 502 . 1 . 1 92 92 PHE N N 15 119.670 0.10 . 1 . . . . . 92 PHE N . 27578 1 503 . 1 . 1 93 93 LEU H H 1 6.619 0.00 . 1 . . . . . 93 LEU H . 27578 1 504 . 1 . 1 93 93 LEU HA H 1 4.296 0.01 . 1 . . . . . 93 LEU HA . 27578 1 505 . 1 . 1 93 93 LEU C C 13 177.941 0.00 . 1 . . . . . 93 LEU C . 27578 1 506 . 1 . 1 93 93 LEU CA C 13 55.379 0.09 . 1 . . . . . 93 LEU CA . 27578 1 507 . 1 . 1 93 93 LEU CB C 13 42.993 0.09 . 1 . . . . . 93 LEU CB . 27578 1 508 . 1 . 1 93 93 LEU N N 15 119.418 0.08 . 1 . . . . . 93 LEU N . 27578 1 509 . 1 . 1 94 94 GLN H H 1 9.354 0.00 . 1 . . . . . 94 GLN H . 27578 1 510 . 1 . 1 94 94 GLN HA H 1 4.447 0.00 . 1 . . . . . 94 GLN HA . 27578 1 511 . 1 . 1 94 94 GLN C C 13 172.629 0.02 . 1 . . . . . 94 GLN C . 27578 1 512 . 1 . 1 94 94 GLN CA C 13 55.173 0.05 . 1 . . . . . 94 GLN CA . 27578 1 513 . 1 . 1 94 94 GLN CB C 13 28.125 0.16 . 1 . . . . . 94 GLN CB . 27578 1 514 . 1 . 1 94 94 GLN N N 15 122.631 0.06 . 1 . . . . . 94 GLN N . 27578 1 515 . 1 . 1 95 95 VAL H H 1 8.666 0.01 . 1 . . . . . 95 VAL H . 27578 1 516 . 1 . 1 95 95 VAL HA H 1 5.044 0.00 . 1 . . . . . 95 VAL HA . 27578 1 517 . 1 . 1 95 95 VAL C C 13 174.915 0.03 . 1 . . . . . 95 VAL C . 27578 1 518 . 1 . 1 95 95 VAL CA C 13 60.114 0.08 . 1 . . . . . 95 VAL CA . 27578 1 519 . 1 . 1 95 95 VAL CB C 13 34.634 0.12 . 1 . . . . . 95 VAL CB . 27578 1 520 . 1 . 1 95 95 VAL N N 15 123.713 0.10 . 1 . . . . . 95 VAL N . 27578 1 521 . 1 . 1 96 96 GLN H H 1 9.462 0.01 . 1 . . . . . 96 GLN H . 27578 1 522 . 1 . 1 96 96 GLN HE21 H 1 7.856 0.00 . 2 . . . . . 96 GLN HE21 . 27578 1 523 . 1 . 1 96 96 GLN HE22 H 1 7.188 0.00 . 2 . . . . . 96 GLN HE22 . 27578 1 524 . 1 . 1 96 96 GLN C C 13 174.637 0.04 . 1 . . . . . 96 GLN C . 27578 1 525 . 1 . 1 96 96 GLN CA C 13 54.007 0.22 . 1 . . . . . 96 GLN CA . 27578 1 526 . 1 . 1 96 96 GLN CB C 13 30.678 0.17 . 1 . . . . . 96 GLN CB . 27578 1 527 . 1 . 1 96 96 GLN CG C 13 34.938 0.04 . 1 . . . . . 96 GLN CG . 27578 1 528 . 1 . 1 96 96 GLN CD C 13 177.790 0.01 . 1 . . . . . 96 GLN CD . 27578 1 529 . 1 . 1 96 96 GLN N N 15 126.832 0.07 . 1 . . . . . 96 GLN N . 27578 1 530 . 1 . 1 96 96 GLN NE2 N 15 111.849 0.18 . 1 . . . . . 96 GLN NE2 . 27578 1 531 . 1 . 1 97 97 GLY H H 1 8.602 0.00 . 1 . . . . . 97 GLY H . 27578 1 532 . 1 . 1 97 97 GLY C C 13 173.029 0.02 . 1 . . . . . 97 GLY C . 27578 1 533 . 1 . 1 97 97 GLY CA C 13 44.559 0.06 . 1 . . . . . 97 GLY CA . 27578 1 534 . 1 . 1 97 97 GLY N N 15 108.461 0.05 . 1 . . . . . 97 GLY N . 27578 1 535 . 1 . 1 98 98 VAL H H 1 8.004 0.00 . 1 . . . . . 98 VAL H . 27578 1 536 . 1 . 1 98 98 VAL C C 13 173.924 0.02 . 1 . . . . . 98 VAL C . 27578 1 537 . 1 . 1 98 98 VAL CA C 13 58.623 0.10 . 1 . . . . . 98 VAL CA . 27578 1 538 . 1 . 1 98 98 VAL CB C 13 36.018 0.15 . 1 . . . . . 98 VAL CB . 27578 1 539 . 1 . 1 98 98 VAL N N 15 117.081 0.06 . 1 . . . . . 98 VAL N . 27578 1 540 . 1 . 1 99 99 ASP H H 1 8.344 0.00 . 1 . . . . . 99 ASP H . 27578 1 541 . 1 . 1 99 99 ASP C C 13 174.647 0.03 . 1 . . . . . 99 ASP C . 27578 1 542 . 1 . 1 99 99 ASP CA C 13 54.189 0.18 . 1 . . . . . 99 ASP CA . 27578 1 543 . 1 . 1 99 99 ASP CB C 13 47.353 0.14 . 1 . . . . . 99 ASP CB . 27578 1 544 . 1 . 1 99 99 ASP N N 15 124.395 0.06 . 1 . . . . . 99 ASP N . 27578 1 545 . 1 . 1 100 100 GLY H H 1 8.665 0.01 . 1 . . . . . 100 GLY H . 27578 1 546 . 1 . 1 100 100 GLY C C 13 174.269 0.00 . 1 . . . . . 100 GLY C . 27578 1 547 . 1 . 1 100 100 GLY CA C 13 45.834 0.11 . 1 . . . . . 100 GLY CA . 27578 1 548 . 1 . 1 100 100 GLY N N 15 109.346 0.07 . 1 . . . . . 100 GLY N . 27578 1 549 . 1 . 1 101 101 SER H H 1 9.027 0.00 . 1 . . . . . 101 SER H . 27578 1 550 . 1 . 1 101 101 SER C C 13 174.225 0.00 . 1 . . . . . 101 SER C . 27578 1 551 . 1 . 1 101 101 SER CA C 13 52.743 0.17 . 1 . . . . . 101 SER CA . 27578 1 552 . 1 . 1 101 101 SER CB C 13 63.716 0.00 . 1 . . . . . 101 SER CB . 27578 1 553 . 1 . 1 101 101 SER N N 15 116.106 0.08 . 1 . . . . . 101 SER N . 27578 1 554 . 1 . 1 102 102 PRO C C 13 179.063 0.00 . 1 . . . . . 102 PRO C . 27578 1 555 . 1 . 1 102 102 PRO CA C 13 64.798 0.10 . 1 . . . . . 102 PRO CA . 27578 1 556 . 1 . 1 102 102 PRO CB C 13 32.049 0.00 . 1 . . . . . 102 PRO CB . 27578 1 557 . 1 . 1 103 103 GLU H H 1 7.981 0.01 . 1 . . . . . 103 GLU H . 27578 1 558 . 1 . 1 103 103 GLU C C 13 179.487 0.05 . 1 . . . . . 103 GLU C . 27578 1 559 . 1 . 1 103 103 GLU CA C 13 59.137 0.13 . 1 . . . . . 103 GLU CA . 27578 1 560 . 1 . 1 103 103 GLU CB C 13 28.988 0.13 . 1 . . . . . 103 GLU CB . 27578 1 561 . 1 . 1 103 103 GLU N N 15 118.129 0.13 . 1 . . . . . 103 GLU N . 27578 1 562 . 1 . 1 104 104 MET H H 1 7.477 0.00 . 1 . . . . . 104 MET H . 27578 1 563 . 1 . 1 104 104 MET C C 13 178.069 0.04 . 1 . . . . . 104 MET C . 27578 1 564 . 1 . 1 104 104 MET CA C 13 57.163 0.11 . 1 . . . . . 104 MET CA . 27578 1 565 . 1 . 1 104 104 MET CB C 13 31.438 0.24 . 1 . . . . . 104 MET CB . 27578 1 566 . 1 . 1 104 104 MET N N 15 118.895 0.09 . 1 . . . . . 104 MET N . 27578 1 567 . 1 . 1 105 105 LEU H H 1 7.727 0.00 . 1 . . . . . 105 LEU H . 27578 1 568 . 1 . 1 105 105 LEU HA H 1 3.710 0.00 . 1 . . . . . 105 LEU HA . 27578 1 569 . 1 . 1 105 105 LEU HB3 H 1 1.259 0.00 . 2 . . . . . 105 LEU HB3 . 27578 1 570 . 1 . 1 105 105 LEU C C 13 178.972 0.03 . 1 . . . . . 105 LEU C . 27578 1 571 . 1 . 1 105 105 LEU CA C 13 57.865 0.14 . 1 . . . . . 105 LEU CA . 27578 1 572 . 1 . 1 105 105 LEU CB C 13 41.449 0.18 . 1 . . . . . 105 LEU CB . 27578 1 573 . 1 . 1 105 105 LEU N N 15 117.411 0.08 . 1 . . . . . 105 LEU N . 27578 1 574 . 1 . 1 106 106 LYS H H 1 7.582 0.01 . 1 . . . . . 106 LYS H . 27578 1 575 . 1 . 1 106 106 LYS HA H 1 3.891 0.01 . 1 . . . . . 106 LYS HA . 27578 1 576 . 1 . 1 106 106 LYS C C 13 179.527 0.01 . 1 . . . . . 106 LYS C . 27578 1 577 . 1 . 1 106 106 LYS CA C 13 59.840 0.17 . 1 . . . . . 106 LYS CA . 27578 1 578 . 1 . 1 106 106 LYS CB C 13 32.346 0.20 . 1 . . . . . 106 LYS CB . 27578 1 579 . 1 . 1 106 106 LYS N N 15 117.664 0.07 . 1 . . . . . 106 LYS N . 27578 1 580 . 1 . 1 107 107 GLN H H 1 7.286 0.01 . 1 . . . . . 107 GLN H . 27578 1 581 . 1 . 1 107 107 GLN HA H 1 4.117 0.02 . 1 . . . . . 107 GLN HA . 27578 1 582 . 1 . 1 107 107 GLN C C 13 178.577 0.03 . 1 . . . . . 107 GLN C . 27578 1 583 . 1 . 1 107 107 GLN CA C 13 58.661 0.08 . 1 . . . . . 107 GLN CA . 27578 1 584 . 1 . 1 107 107 GLN CB C 13 28.512 0.18 . 1 . . . . . 107 GLN CB . 27578 1 585 . 1 . 1 107 107 GLN N N 15 119.128 0.08 . 1 . . . . . 107 GLN N . 27578 1 586 . 1 . 1 108 108 ALA H H 1 8.560 0.00 . 1 . . . . . 108 ALA H . 27578 1 587 . 1 . 1 108 108 ALA HA H 1 4.088 0.00 . 1 . . . . . 108 ALA HA . 27578 1 588 . 1 . 1 108 108 ALA HB1 H 1 1.367 0.00 . 1 . . . . . 108 ALA HB* . 27578 1 589 . 1 . 1 108 108 ALA HB2 H 1 1.367 0.00 . 1 . . . . . 108 ALA HB* . 27578 1 590 . 1 . 1 108 108 ALA HB3 H 1 1.367 0.00 . 1 . . . . . 108 ALA HB* . 27578 1 591 . 1 . 1 108 108 ALA C C 13 181.745 0.02 . 1 . . . . . 108 ALA C . 27578 1 592 . 1 . 1 108 108 ALA CA C 13 55.384 0.12 . 1 . . . . . 108 ALA CA . 27578 1 593 . 1 . 1 108 108 ALA CB C 13 17.352 0.07 . 1 . . . . . 108 ALA CB . 27578 1 594 . 1 . 1 108 108 ALA N N 15 123.730 0.10 . 1 . . . . . 108 ALA N . 27578 1 595 . 1 . 1 109 109 ARG H H 1 8.730 0.00 . 1 . . . . . 109 ARG H . 27578 1 596 . 1 . 1 109 109 ARG C C 13 178.629 0.00 . 1 . . . . . 109 ARG C . 27578 1 597 . 1 . 1 109 109 ARG CA C 13 59.217 0.22 . 1 . . . . . 109 ARG CA . 27578 1 598 . 1 . 1 109 109 ARG CB C 13 29.720 0.14 . 1 . . . . . 109 ARG CB . 27578 1 599 . 1 . 1 109 109 ARG N N 15 120.639 0.06 . 1 . . . . . 109 ARG N . 27578 1 600 . 1 . 1 110 110 ALA H H 1 7.400 0.00 . 1 . . . . . 110 ALA H . 27578 1 601 . 1 . 1 110 110 ALA HA H 1 4.149 0.01 . 1 . . . . . 110 ALA HA . 27578 1 602 . 1 . 1 110 110 ALA HB1 H 1 1.520 0.00 . 1 . . . . . 110 ALA HB* . 27578 1 603 . 1 . 1 110 110 ALA HB2 H 1 1.520 0.00 . 1 . . . . . 110 ALA HB* . 27578 1 604 . 1 . 1 110 110 ALA HB3 H 1 1.520 0.00 . 1 . . . . . 110 ALA HB* . 27578 1 605 . 1 . 1 110 110 ALA C C 13 178.651 0.05 . 1 . . . . . 110 ALA C . 27578 1 606 . 1 . 1 110 110 ALA CA C 13 53.952 0.08 . 1 . . . . . 110 ALA CA . 27578 1 607 . 1 . 1 110 110 ALA CB C 13 18.014 0.11 . 1 . . . . . 110 ALA CB . 27578 1 608 . 1 . 1 110 110 ALA N N 15 120.352 0.07 . 1 . . . . . 110 ALA N . 27578 1 609 . 1 . 1 111 111 ARG H H 1 7.399 0.00 . 1 . . . . . 111 ARG H . 27578 1 610 . 1 . 1 111 111 ARG HA H 1 4.159 0.00 . 1 . . . . . 111 ARG HA . 27578 1 611 . 1 . 1 111 111 ARG C C 13 177.989 0.02 . 1 . . . . . 111 ARG C . 27578 1 612 . 1 . 1 111 111 ARG CA C 13 57.659 0.06 . 1 . . . . . 111 ARG CA . 27578 1 613 . 1 . 1 111 111 ARG CB C 13 30.541 0.15 . 1 . . . . . 111 ARG CB . 27578 1 614 . 1 . 1 111 111 ARG N N 15 113.933 0.08 . 1 . . . . . 111 ARG N . 27578 1 615 . 1 . 1 112 112 GLY H H 1 7.692 0.00 . 1 . . . . . 112 GLY H . 27578 1 616 . 1 . 1 112 112 GLY C C 13 174.010 0.07 . 1 . . . . . 112 GLY C . 27578 1 617 . 1 . 1 112 112 GLY CA C 13 46.779 0.11 . 1 . . . . . 112 GLY CA . 27578 1 618 . 1 . 1 112 112 GLY N N 15 105.587 0.09 . 1 . . . . . 112 GLY N . 27578 1 619 . 1 . 1 113 113 LEU H H 1 7.566 0.00 . 1 . . . . . 113 LEU H . 27578 1 620 . 1 . 1 113 113 LEU C C 13 176.740 0.05 . 1 . . . . . 113 LEU C . 27578 1 621 . 1 . 1 113 113 LEU CA C 13 54.885 0.05 . 1 . . . . . 113 LEU CA . 27578 1 622 . 1 . 1 113 113 LEU CB C 13 45.639 0.01 . 1 . . . . . 113 LEU CB . 27578 1 623 . 1 . 1 113 113 LEU N N 15 116.980 0.07 . 1 . . . . . 113 LEU N . 27578 1 624 . 1 . 1 114 114 TYR H H 1 8.515 0.00 . 1 . . . . . 114 TYR H . 27578 1 625 . 1 . 1 114 114 TYR C C 13 177.055 0.04 . 1 . . . . . 114 TYR C . 27578 1 626 . 1 . 1 114 114 TYR CA C 13 58.326 0.19 . 1 . . . . . 114 TYR CA . 27578 1 627 . 1 . 1 114 114 TYR CB C 13 39.212 0.12 . 1 . . . . . 114 TYR CB . 27578 1 628 . 1 . 1 114 114 TYR N N 15 116.889 0.08 . 1 . . . . . 114 TYR N . 27578 1 629 . 1 . 1 115 115 HIS H H 1 9.263 0.00 . 1 . . . . . 115 HIS H . 27578 1 630 . 1 . 1 115 115 HIS C C 13 175.201 0.01 . 1 . . . . . 115 HIS C . 27578 1 631 . 1 . 1 115 115 HIS CA C 13 57.743 0.17 . 1 . . . . . 115 HIS CA . 27578 1 632 . 1 . 1 115 115 HIS CB C 13 31.180 0.00 . 1 . . . . . 115 HIS CB . 27578 1 633 . 1 . 1 115 115 HIS N N 15 122.876 0.08 . 1 . . . . . 115 HIS N . 27578 1 634 . 1 . 1 116 116 HIS H H 1 7.267 0.00 . 1 . . . . . 116 HIS H . 27578 1 635 . 1 . 1 116 116 HIS C C 13 172.834 0.03 . 1 . . . . . 116 HIS C . 27578 1 636 . 1 . 1 116 116 HIS CA C 13 56.664 0.07 . 1 . . . . . 116 HIS CA . 27578 1 637 . 1 . 1 116 116 HIS CB C 13 33.057 0.23 . 1 . . . . . 116 HIS CB . 27578 1 638 . 1 . 1 116 116 HIS N N 15 114.262 0.09 . 1 . . . . . 116 HIS N . 27578 1 639 . 1 . 1 117 117 LEU H H 1 7.688 0.01 . 1 . . . . . 117 LEU H . 27578 1 640 . 1 . 1 117 117 LEU C C 13 175.393 0.00 . 1 . . . . . 117 LEU C . 27578 1 641 . 1 . 1 117 117 LEU CA C 13 53.408 0.03 . 1 . . . . . 117 LEU CA . 27578 1 642 . 1 . 1 117 117 LEU CB C 13 46.702 0.07 . 1 . . . . . 117 LEU CB . 27578 1 643 . 1 . 1 117 117 LEU N N 15 126.997 0.12 . 1 . . . . . 117 LEU N . 27578 1 644 . 1 . 1 118 118 SER H H 1 7.977 0.00 . 1 . . . . . 118 SER H . 27578 1 645 . 1 . 1 118 118 SER HA H 1 4.584 0.00 . 1 . . . . . 118 SER HA . 27578 1 646 . 1 . 1 118 118 SER HB2 H 1 3.821 0.00 . 2 . . . . . 118 SER HB2 . 27578 1 647 . 1 . 1 118 118 SER HB3 H 1 3.676 0.00 . 2 . . . . . 118 SER HB3 . 27578 1 648 . 1 . 1 118 118 SER C C 13 170.986 0.02 . 1 . . . . . 118 SER C . 27578 1 649 . 1 . 1 118 118 SER CA C 13 57.319 0.03 . 1 . . . . . 118 SER CA . 27578 1 650 . 1 . 1 118 118 SER CB C 13 65.837 0.11 . 1 . . . . . 118 SER CB . 27578 1 651 . 1 . 1 118 118 SER N N 15 114.704 0.12 . 1 . . . . . 118 SER N . 27578 1 652 . 1 . 1 119 119 LEU H H 1 8.220 0.01 . 1 . . . . . 119 LEU H . 27578 1 653 . 1 . 1 119 119 LEU HA H 1 5.129 0.00 . 1 . . . . . 119 LEU HA . 27578 1 654 . 1 . 1 119 119 LEU C C 13 177.438 0.08 . 1 . . . . . 119 LEU C . 27578 1 655 . 1 . 1 119 119 LEU CA C 13 53.469 0.05 . 1 . . . . . 119 LEU CA . 27578 1 656 . 1 . 1 119 119 LEU CB C 13 43.041 0.09 . 1 . . . . . 119 LEU CB . 27578 1 657 . 1 . 1 119 119 LEU N N 15 124.260 0.10 . 1 . . . . . 119 LEU N . 27578 1 658 . 1 . 1 120 120 CYS H H 1 8.061 0.01 . 1 . . . . . 120 CYS H . 27578 1 659 . 1 . 1 120 120 CYS HA H 1 4.375 0.00 . 1 . . . . . 120 CYS HA . 27578 1 660 . 1 . 1 120 120 CYS C C 13 173.372 0.00 . 1 . . . . . 120 CYS C . 27578 1 661 . 1 . 1 120 120 CYS CA C 13 58.915 0.03 . 1 . . . . . 120 CYS CA . 27578 1 662 . 1 . 1 120 120 CYS CB C 13 29.019 0.17 . 1 . . . . . 120 CYS CB . 27578 1 663 . 1 . 1 120 120 CYS N N 15 126.536 0.08 . 1 . . . . . 120 CYS N . 27578 1 664 . 1 . 1 121 121 THR H H 1 9.433 0.01 . 1 . . . . . 121 THR H . 27578 1 665 . 1 . 1 121 121 THR HA H 1 4.293 0.00 . 1 . . . . . 121 THR HA . 27578 1 666 . 1 . 1 121 121 THR HB H 1 4.068 0.00 . 1 . . . . . 121 THR HB . 27578 1 667 . 1 . 1 121 121 THR C C 13 173.774 0.22 . 1 . . . . . 121 THR C . 27578 1 668 . 1 . 1 121 121 THR CA C 13 60.759 0.30 . 1 . . . . . 121 THR CA . 27578 1 669 . 1 . 1 121 121 THR CB C 13 67.792 0.08 . 1 . . . . . 121 THR CB . 27578 1 670 . 1 . 1 121 121 THR N N 15 127.498 0.08 . 1 . . . . . 121 THR N . 27578 1 671 . 1 . 1 122 122 LEU H H 1 8.324 0.01 . 1 . . . . . 122 LEU H . 27578 1 672 . 1 . 1 122 122 LEU C C 13 177.447 0.00 . 1 . . . . . 122 LEU C . 27578 1 673 . 1 . 1 122 122 LEU CA C 13 56.490 0.10 . 1 . . . . . 122 LEU CA . 27578 1 674 . 1 . 1 122 122 LEU CB C 13 42.077 0.18 . 1 . . . . . 122 LEU CB . 27578 1 675 . 1 . 1 122 122 LEU N N 15 129.645 0.08 . 1 . . . . . 122 LEU N . 27578 1 676 . 1 . 1 123 123 GLY H H 1 9.567 0.01 . 1 . . . . . 123 GLY H . 27578 1 677 . 1 . 1 123 123 GLY C C 13 173.920 0.07 . 1 . . . . . 123 GLY C . 27578 1 678 . 1 . 1 123 123 GLY CA C 13 44.826 0.15 . 1 . . . . . 123 GLY CA . 27578 1 679 . 1 . 1 123 123 GLY N N 15 112.579 0.09 . 1 . . . . . 123 GLY N . 27578 1 680 . 1 . 1 124 124 GLN H H 1 7.763 0.00 . 1 . . . . . 124 GLN H . 27578 1 681 . 1 . 1 124 124 GLN C C 13 174.707 0.06 . 1 . . . . . 124 GLN C . 27578 1 682 . 1 . 1 124 124 GLN CA C 13 56.078 0.18 . 1 . . . . . 124 GLN CA . 27578 1 683 . 1 . 1 124 124 GLN CB C 13 30.577 0.15 . 1 . . . . . 124 GLN CB . 27578 1 684 . 1 . 1 124 124 GLN N N 15 117.648 0.07 . 1 . . . . . 124 GLN N . 27578 1 685 . 1 . 1 125 125 GLU H H 1 7.797 0.00 . 1 . . . . . 125 GLU H . 27578 1 686 . 1 . 1 125 125 GLU C C 13 172.269 0.00 . 1 . . . . . 125 GLU C . 27578 1 687 . 1 . 1 125 125 GLU CA C 13 52.804 0.11 . 1 . . . . . 125 GLU CA . 27578 1 688 . 1 . 1 125 125 GLU N N 15 118.965 0.10 . 1 . . . . . 125 GLU N . 27578 1 689 . 1 . 1 126 126 PRO C C 13 177.022 0.04 . 1 . . . . . 126 PRO C . 27578 1 690 . 1 . 1 126 126 PRO CA C 13 61.775 0.13 . 1 . . . . . 126 PRO CA . 27578 1 691 . 1 . 1 126 126 PRO CB C 13 31.752 0.00 . 1 . . . . . 126 PRO CB . 27578 1 692 . 1 . 1 127 127 LEU H H 1 9.070 0.01 . 1 . . . . . 127 LEU H . 27578 1 693 . 1 . 1 127 127 LEU C C 13 177.691 0.00 . 1 . . . . . 127 LEU C . 27578 1 694 . 1 . 1 127 127 LEU CA C 13 53.575 0.05 . 1 . . . . . 127 LEU CA . 27578 1 695 . 1 . 1 127 127 LEU N N 15 120.876 0.07 . 1 . . . . . 127 LEU N . 27578 1 696 . 1 . 1 128 128 PRO C C 13 176.646 0.03 . 1 . . . . . 128 PRO C . 27578 1 697 . 1 . 1 128 128 PRO CA C 13 63.471 0.15 . 1 . . . . . 128 PRO CA . 27578 1 698 . 1 . 1 128 128 PRO CB C 13 31.783 0.00 . 1 . . . . . 128 PRO CB . 27578 1 699 . 1 . 1 129 129 ASP H H 1 7.175 0.00 . 1 . . . . . 129 ASP H . 27578 1 700 . 1 . 1 129 129 ASP C C 13 172.493 0.00 . 1 . . . . . 129 ASP C . 27578 1 701 . 1 . 1 129 129 ASP CA C 13 53.668 0.03 . 1 . . . . . 129 ASP CA . 27578 1 702 . 1 . 1 129 129 ASP CB C 13 41.856 0.00 . 1 . . . . . 129 ASP CB . 27578 1 703 . 1 . 1 129 129 ASP N N 15 118.074 0.06 . 1 . . . . . 129 ASP N . 27578 1 704 . 1 . 1 130 130 PRO C C 13 176.520 0.02 . 1 . . . . . 130 PRO C . 27578 1 705 . 1 . 1 130 130 PRO CA C 13 61.683 0.06 . 1 . . . . . 130 PRO CA . 27578 1 706 . 1 . 1 130 130 PRO CB C 13 32.223 0.00 . 1 . . . . . 130 PRO CB . 27578 1 707 . 1 . 1 131 131 GLU H H 1 8.309 0.00 . 1 . . . . . 131 GLU H . 27578 1 708 . 1 . 1 131 131 GLU C C 13 177.756 0.02 . 1 . . . . . 131 GLU C . 27578 1 709 . 1 . 1 131 131 GLU CA C 13 56.228 0.16 . 1 . . . . . 131 GLU CA . 27578 1 710 . 1 . 1 131 131 GLU CB C 13 29.537 0.00 . 1 . . . . . 131 GLU CB . 27578 1 711 . 1 . 1 131 131 GLU N N 15 121.640 0.06 . 1 . . . . . 131 GLU N . 27578 1 712 . 1 . 1 132 132 GLY H H 1 8.426 0.01 . 1 . . . . . 132 GLY H . 27578 1 713 . 1 . 1 132 132 GLY C C 13 173.567 0.00 . 1 . . . . . 132 GLY C . 27578 1 714 . 1 . 1 132 132 GLY CA C 13 46.966 0.15 . 1 . . . . . 132 GLY CA . 27578 1 715 . 1 . 1 132 132 GLY N N 15 108.849 0.11 . 1 . . . . . 132 GLY N . 27578 1 716 . 1 . 1 133 133 THR H H 1 7.172 0.00 . 1 . . . . . 133 THR H . 27578 1 717 . 1 . 1 133 133 THR C C 13 174.035 0.06 . 1 . . . . . 133 THR C . 27578 1 718 . 1 . 1 133 133 THR CA C 13 66.146 0.12 . 1 . . . . . 133 THR CA . 27578 1 719 . 1 . 1 133 133 THR CB C 13 70.504 0.09 . 1 . . . . . 133 THR CB . 27578 1 720 . 1 . 1 133 133 THR N N 15 115.939 0.10 . 1 . . . . . 133 THR N . 27578 1 721 . 1 . 1 134 134 PHE H H 1 8.535 0.00 . 1 . . . . . 134 PHE H . 27578 1 722 . 1 . 1 134 134 PHE C C 13 176.197 0.03 . 1 . . . . . 134 PHE C . 27578 1 723 . 1 . 1 134 134 PHE CA C 13 60.038 0.11 . 1 . . . . . 134 PHE CA . 27578 1 724 . 1 . 1 134 134 PHE CB C 13 40.936 0.11 . 1 . . . . . 134 PHE CB . 27578 1 725 . 1 . 1 134 134 PHE N N 15 116.062 0.08 . 1 . . . . . 134 PHE N . 27578 1 726 . 1 . 1 135 135 ASP H H 1 9.415 0.01 . 1 . . . . . 135 ASP H . 27578 1 727 . 1 . 1 135 135 ASP C C 13 175.815 0.05 . 1 . . . . . 135 ASP C . 27578 1 728 . 1 . 1 135 135 ASP CA C 13 58.048 0.19 . 1 . . . . . 135 ASP CA . 27578 1 729 . 1 . 1 135 135 ASP CB C 13 42.636 0.00 . 1 . . . . . 135 ASP CB . 27578 1 730 . 1 . 1 135 135 ASP N N 15 123.395 0.09 . 1 . . . . . 135 ASP N . 27578 1 731 . 1 . 1 136 136 ALA H H 1 7.756 0.00 . 1 . . . . . 136 ALA H . 27578 1 732 . 1 . 1 136 136 ALA C C 13 174.326 0.04 . 1 . . . . . 136 ALA C . 27578 1 733 . 1 . 1 136 136 ALA CA C 13 50.855 0.05 . 1 . . . . . 136 ALA CA . 27578 1 734 . 1 . 1 136 136 ALA CB C 13 22.563 0.13 . 1 . . . . . 136 ALA CB . 27578 1 735 . 1 . 1 136 136 ALA N N 15 113.688 0.07 . 1 . . . . . 136 ALA N . 27578 1 736 . 1 . 1 137 137 VAL H H 1 8.760 0.00 . 1 . . . . . 137 VAL H . 27578 1 737 . 1 . 1 137 137 VAL C C 13 173.057 0.05 . 1 . . . . . 137 VAL C . 27578 1 738 . 1 . 1 137 137 VAL CA C 13 60.445 0.15 . 1 . . . . . 137 VAL CA . 27578 1 739 . 1 . 1 137 137 VAL CB C 13 35.103 0.00 . 1 . . . . . 137 VAL CB . 27578 1 740 . 1 . 1 137 137 VAL N N 15 120.704 0.07 . 1 . . . . . 137 VAL N . 27578 1 741 . 1 . 1 138 138 ILE H H 1 9.129 0.01 . 1 . . . . . 138 ILE H . 27578 1 742 . 1 . 1 138 138 ILE C C 13 171.506 0.05 . 1 . . . . . 138 ILE C . 27578 1 743 . 1 . 1 138 138 ILE CA C 13 57.896 0.19 . 1 . . . . . 138 ILE CA . 27578 1 744 . 1 . 1 138 138 ILE CB C 13 42.286 0.00 . 1 . . . . . 138 ILE CB . 27578 1 745 . 1 . 1 138 138 ILE N N 15 125.295 0.09 . 1 . . . . . 138 ILE N . 27578 1 746 . 1 . 1 139 139 ILE H H 1 8.416 0.00 . 1 . . . . . 139 ILE H . 27578 1 747 . 1 . 1 139 139 ILE C C 13 174.881 0.00 . 1 . . . . . 139 ILE C . 27578 1 748 . 1 . 1 139 139 ILE CA C 13 58.651 0.02 . 1 . . . . . 139 ILE CA . 27578 1 749 . 1 . 1 139 139 ILE N N 15 122.983 0.10 . 1 . . . . . 139 ILE N . 27578 1 750 . 1 . 1 140 140 VAL H H 1 9.411 0.01 . 1 . . . . . 140 VAL H . 27578 1 751 . 1 . 1 140 140 VAL CA C 13 60.431 0.00 . 1 . . . . . 140 VAL CA . 27578 1 752 . 1 . 1 140 140 VAL N N 15 131.469 0.10 . 1 . . . . . 140 VAL N . 27578 1 753 . 1 . 1 141 141 GLY C C 13 174.505 0.00 . 1 . . . . . 141 GLY C . 27578 1 754 . 1 . 1 141 141 GLY CA C 13 46.476 0.01 . 1 . . . . . 141 GLY CA . 27578 1 755 . 1 . 1 142 142 ALA H H 1 7.720 0.00 . 1 . . . . . 142 ALA H . 27578 1 756 . 1 . 1 142 142 ALA CA C 13 52.614 0.08 . 1 . . . . . 142 ALA CA . 27578 1 757 . 1 . 1 142 142 ALA CB C 13 22.058 0.00 . 1 . . . . . 142 ALA CB . 27578 1 758 . 1 . 1 142 142 ALA N N 15 121.109 0.05 . 1 . . . . . 142 ALA N . 27578 1 759 . 1 . 1 143 143 LEU C C 13 178.888 0.00 . 1 . . . . . 143 LEU C . 27578 1 760 . 1 . 1 143 143 LEU CA C 13 54.401 0.04 . 1 . . . . . 143 LEU CA . 27578 1 761 . 1 . 1 144 144 SER H H 1 8.110 0.00 . 1 . . . . . 144 SER H . 27578 1 762 . 1 . 1 144 144 SER CA C 13 56.276 0.03 . 1 . . . . . 144 SER CA . 27578 1 763 . 1 . 1 144 144 SER CB C 13 63.307 0.00 . 1 . . . . . 144 SER CB . 27578 1 764 . 1 . 1 144 144 SER N N 15 116.517 0.07 . 1 . . . . . 144 SER N . 27578 1 765 . 1 . 1 146 146 GLY C C 13 173.860 0.19 . 1 . . . . . 146 GLY C . 27578 1 766 . 1 . 1 146 146 GLY CA C 13 45.236 0.14 . 1 . . . . . 146 GLY CA . 27578 1 767 . 1 . 1 147 147 GLN H H 1 7.760 0.00 . 1 . . . . . 147 GLN H . 27578 1 768 . 1 . 1 147 147 GLN C C 13 175.497 0.00 . 1 . . . . . 147 GLN C . 27578 1 769 . 1 . 1 147 147 GLN CA C 13 54.993 0.04 . 1 . . . . . 147 GLN CA . 27578 1 770 . 1 . 1 147 147 GLN CB C 13 28.889 0.00 . 1 . . . . . 147 GLN CB . 27578 1 771 . 1 . 1 147 147 GLN N N 15 121.448 0.11 . 1 . . . . . 147 GLN N . 27578 1 772 . 1 . 1 149 149 PRO C C 13 177.184 0.00 . 1 . . . . . 149 PRO C . 27578 1 773 . 1 . 1 149 149 PRO CA C 13 62.650 0.00 . 1 . . . . . 149 PRO CA . 27578 1 774 . 1 . 1 150 150 CYS H H 1 8.766 0.00 . 1 . . . . . 150 CYS H . 27578 1 775 . 1 . 1 150 150 CYS CA C 13 62.421 0.00 . 1 . . . . . 150 CYS CA . 27578 1 776 . 1 . 1 150 150 CYS N N 15 117.558 0.09 . 1 . . . . . 150 CYS N . 27578 1 777 . 1 . 1 151 151 SER C C 13 175.152 0.00 . 1 . . . . . 151 SER C . 27578 1 778 . 1 . 1 151 151 SER CA C 13 59.343 0.11 . 1 . . . . . 151 SER CA . 27578 1 779 . 1 . 1 151 151 SER CB C 13 62.056 0.00 . 1 . . . . . 151 SER CB . 27578 1 780 . 1 . 1 152 152 ALA H H 1 7.740 0.00 . 1 . . . . . 152 ALA H . 27578 1 781 . 1 . 1 152 152 ALA HB1 H 1 1.263 0.00 . 1 . . . . . 152 ALA HB* . 27578 1 782 . 1 . 1 152 152 ALA HB2 H 1 1.263 0.00 . 1 . . . . . 152 ALA HB* . 27578 1 783 . 1 . 1 152 152 ALA HB3 H 1 1.263 0.00 . 1 . . . . . 152 ALA HB* . 27578 1 784 . 1 . 1 152 152 ALA C C 13 178.188 0.00 . 1 . . . . . 152 ALA C . 27578 1 785 . 1 . 1 152 152 ALA CA C 13 52.888 0.14 . 1 . . . . . 152 ALA CA . 27578 1 786 . 1 . 1 152 152 ALA CB C 13 19.517 0.06 . 1 . . . . . 152 ALA CB . 27578 1 787 . 1 . 1 152 152 ALA N N 15 122.611 0.06 . 1 . . . . . 152 ALA N . 27578 1 788 . 1 . 1 153 153 ILE H H 1 7.590 0.00 . 1 . . . . . 153 ILE H . 27578 1 789 . 1 . 1 153 153 ILE C C 13 174.693 0.00 . 1 . . . . . 153 ILE C . 27578 1 790 . 1 . 1 153 153 ILE CA C 13 65.424 0.07 . 1 . . . . . 153 ILE CA . 27578 1 791 . 1 . 1 153 153 ILE CB C 13 33.260 0.00 . 1 . . . . . 153 ILE CB . 27578 1 792 . 1 . 1 153 153 ILE N N 15 117.649 0.08 . 1 . . . . . 153 ILE N . 27578 1 793 . 1 . 1 154 154 PRO C C 13 178.352 0.00 . 1 . . . . . 154 PRO C . 27578 1 794 . 1 . 1 154 154 PRO CA C 13 66.016 0.13 . 1 . . . . . 154 PRO CA . 27578 1 795 . 1 . 1 154 154 PRO CB C 13 30.488 0.00 . 1 . . . . . 154 PRO CB . 27578 1 796 . 1 . 1 155 155 GLU H H 1 7.255 0.00 . 1 . . . . . 155 GLU H . 27578 1 797 . 1 . 1 155 155 GLU C C 13 177.349 0.03 . 1 . . . . . 155 GLU C . 27578 1 798 . 1 . 1 155 155 GLU CA C 13 58.456 0.17 . 1 . . . . . 155 GLU CA . 27578 1 799 . 1 . 1 155 155 GLU CB C 13 30.110 0.06 . 1 . . . . . 155 GLU CB . 27578 1 800 . 1 . 1 155 155 GLU N N 15 118.728 0.09 . 1 . . . . . 155 GLU N . 27578 1 801 . 1 . 1 156 156 LEU H H 1 7.364 0.00 . 1 . . . . . 156 LEU H . 27578 1 802 . 1 . 1 156 156 LEU C C 13 178.250 0.01 . 1 . . . . . 156 LEU C . 27578 1 803 . 1 . 1 156 156 LEU CA C 13 58.081 0.33 . 1 . . . . . 156 LEU CA . 27578 1 804 . 1 . 1 156 156 LEU CB C 13 40.331 0.15 . 1 . . . . . 156 LEU CB . 27578 1 805 . 1 . 1 156 156 LEU N N 15 116.956 0.06 . 1 . . . . . 156 LEU N . 27578 1 806 . 1 . 1 157 157 LEU H H 1 7.235 0.01 . 1 . . . . . 157 LEU H . 27578 1 807 . 1 . 1 157 157 LEU C C 13 179.454 0.06 . 1 . . . . . 157 LEU C . 27578 1 808 . 1 . 1 157 157 LEU CA C 13 57.377 0.21 . 1 . . . . . 157 LEU CA . 27578 1 809 . 1 . 1 157 157 LEU CB C 13 41.952 0.23 . 1 . . . . . 157 LEU CB . 27578 1 810 . 1 . 1 157 157 LEU N N 15 115.953 0.14 . 1 . . . . . 157 LEU N . 27578 1 811 . 1 . 1 158 158 ARG H H 1 8.097 0.00 . 1 . . . . . 158 ARG H . 27578 1 812 . 1 . 1 158 158 ARG C C 13 178.492 0.03 . 1 . . . . . 158 ARG C . 27578 1 813 . 1 . 1 158 158 ARG CA C 13 60.295 0.03 . 1 . . . . . 158 ARG CA . 27578 1 814 . 1 . 1 158 158 ARG CB C 13 30.397 0.11 . 1 . . . . . 158 ARG CB . 27578 1 815 . 1 . 1 158 158 ARG N N 15 121.935 0.12 . 1 . . . . . 158 ARG N . 27578 1 816 . 1 . 1 159 159 VAL H H 1 7.065 0.00 . 1 . . . . . 159 VAL H . 27578 1 817 . 1 . 1 159 159 VAL C C 13 175.390 0.03 . 1 . . . . . 159 VAL C . 27578 1 818 . 1 . 1 159 159 VAL CA C 13 63.090 0.21 . 1 . . . . . 159 VAL CA . 27578 1 819 . 1 . 1 159 159 VAL CB C 13 31.641 0.00 . 1 . . . . . 159 VAL CB . 27578 1 820 . 1 . 1 159 159 VAL N N 15 104.496 0.09 . 1 . . . . . 159 VAL N . 27578 1 821 . 1 . 1 160 160 THR H H 1 7.573 0.01 . 1 . . . . . 160 THR H . 27578 1 822 . 1 . 1 160 160 THR C C 13 174.443 0.00 . 1 . . . . . 160 THR C . 27578 1 823 . 1 . 1 160 160 THR CA C 13 64.928 0.10 . 1 . . . . . 160 THR CA . 27578 1 824 . 1 . 1 160 160 THR CB C 13 68.244 0.10 . 1 . . . . . 160 THR CB . 27578 1 825 . 1 . 1 160 160 THR N N 15 123.739 0.10 . 1 . . . . . 160 THR N . 27578 1 826 . 1 . 1 161 161 LYS H H 1 9.328 0.01 . 1 . . . . . 161 LYS H . 27578 1 827 . 1 . 1 161 161 LYS C C 13 174.731 0.01 . 1 . . . . . 161 LYS C . 27578 1 828 . 1 . 1 161 161 LYS CA C 13 56.340 0.02 . 1 . . . . . 161 LYS CA . 27578 1 829 . 1 . 1 161 161 LYS CB C 13 32.730 0.00 . 1 . . . . . 161 LYS CB . 27578 1 830 . 1 . 1 161 161 LYS N N 15 128.281 0.13 . 1 . . . . . 161 LYS N . 27578 1 831 . 1 . 1 162 162 PRO C C 13 177.724 0.00 . 1 . . . . . 162 PRO C . 27578 1 832 . 1 . 1 162 162 PRO CA C 13 64.855 0.05 . 1 . . . . . 162 PRO CA . 27578 1 833 . 1 . 1 162 162 PRO CB C 13 31.715 0.00 . 1 . . . . . 162 PRO CB . 27578 1 834 . 1 . 1 163 163 GLY H H 1 7.608 0.01 . 1 . . . . . 163 GLY H . 27578 1 835 . 1 . 1 163 163 GLY C C 13 173.739 0.08 . 1 . . . . . 163 GLY C . 27578 1 836 . 1 . 1 163 163 GLY CA C 13 46.000 0.01 . 1 . . . . . 163 GLY CA . 27578 1 837 . 1 . 1 163 163 GLY N N 15 115.261 0.06 . 1 . . . . . 163 GLY N . 27578 1 838 . 1 . 1 164 164 GLY H H 1 8.822 0.00 . 1 . . . . . 164 GLY H . 27578 1 839 . 1 . 1 164 164 GLY C C 13 172.298 0.05 . 1 . . . . . 164 GLY C . 27578 1 840 . 1 . 1 164 164 GLY CA C 13 44.134 0.16 . 1 . . . . . 164 GLY CA . 27578 1 841 . 1 . 1 164 164 GLY N N 15 109.371 0.06 . 1 . . . . . 164 GLY N . 27578 1 842 . 1 . 1 165 165 LEU H H 1 7.672 0.00 . 1 . . . . . 165 LEU H . 27578 1 843 . 1 . 1 165 165 LEU C C 13 175.359 0.03 . 1 . . . . . 165 LEU C . 27578 1 844 . 1 . 1 165 165 LEU CA C 13 53.560 0.06 . 1 . . . . . 165 LEU CA . 27578 1 845 . 1 . 1 165 165 LEU CB C 13 46.266 0.11 . 1 . . . . . 165 LEU CB . 27578 1 846 . 1 . 1 165 165 LEU N N 15 116.418 0.09 . 1 . . . . . 165 LEU N . 27578 1 847 . 1 . 1 166 166 VAL H H 1 9.138 0.01 . 1 . . . . . 166 VAL H . 27578 1 848 . 1 . 1 166 166 VAL C C 13 174.378 0.04 . 1 . . . . . 166 VAL C . 27578 1 849 . 1 . 1 166 166 VAL CA C 13 60.741 0.25 . 1 . . . . . 166 VAL CA . 27578 1 850 . 1 . 1 166 166 VAL CB C 13 33.463 0.00 . 1 . . . . . 166 VAL CB . 27578 1 851 . 1 . 1 166 166 VAL N N 15 119.060 0.07 . 1 . . . . . 166 VAL N . 27578 1 852 . 1 . 1 167 167 CYS H H 1 9.379 0.01 . 1 . . . . . 167 CYS H . 27578 1 853 . 1 . 1 167 167 CYS C C 13 172.268 0.04 . 1 . . . . . 167 CYS C . 27578 1 854 . 1 . 1 167 167 CYS CA C 13 56.462 0.07 . 1 . . . . . 167 CYS CA . 27578 1 855 . 1 . 1 167 167 CYS CB C 13 28.480 0.11 . 1 . . . . . 167 CYS CB . 27578 1 856 . 1 . 1 167 167 CYS N N 15 128.893 0.12 . 1 . . . . . 167 CYS N . 27578 1 857 . 1 . 1 168 168 LEU H H 1 9.412 0.01 . 1 . . . . . 168 LEU H . 27578 1 858 . 1 . 1 168 168 LEU C C 13 175.073 0.04 . 1 . . . . . 168 LEU C . 27578 1 859 . 1 . 1 168 168 LEU CA C 13 53.578 0.06 . 1 . . . . . 168 LEU CA . 27578 1 860 . 1 . 1 168 168 LEU CB C 13 44.782 0.00 . 1 . . . . . 168 LEU CB . 27578 1 861 . 1 . 1 168 168 LEU N N 15 126.015 0.07 . 1 . . . . . 168 LEU N . 27578 1 862 . 1 . 1 169 169 THR H H 1 7.220 0.00 . 1 . . . . . 169 THR H . 27578 1 863 . 1 . 1 169 169 THR C C 13 174.268 0.00 . 1 . . . . . 169 THR C . 27578 1 864 . 1 . 1 169 169 THR CA C 13 59.796 0.00 . 1 . . . . . 169 THR CA . 27578 1 865 . 1 . 1 169 169 THR N N 15 108.631 0.03 . 1 . . . . . 169 THR N . 27578 1 866 . 1 . 1 170 170 THR H H 1 8.388 0.01 . 1 . . . . . 170 THR H . 27578 1 867 . 1 . 1 170 170 THR CA C 13 62.560 0.00 . 1 . . . . . 170 THR CA . 27578 1 868 . 1 . 1 170 170 THR N N 15 112.902 0.06 . 1 . . . . . 170 THR N . 27578 1 869 . 1 . 1 172 172 THR C C 13 173.765 0.00 . 1 . . . . . 172 THR C . 27578 1 870 . 1 . 1 172 172 THR CA C 13 59.606 0.04 . 1 . . . . . 172 THR CA . 27578 1 871 . 1 . 1 172 172 THR CB C 13 66.788 0.00 . 1 . . . . . 172 THR CB . 27578 1 872 . 1 . 1 173 173 ASN H H 1 8.506 0.00 . 1 . . . . . 173 ASN H . 27578 1 873 . 1 . 1 173 173 ASN CA C 13 52.469 0.12 . 1 . . . . . 173 ASN CA . 27578 1 874 . 1 . 1 173 173 ASN CB C 13 34.942 0.00 . 1 . . . . . 173 ASN CB . 27578 1 875 . 1 . 1 173 173 ASN N N 15 117.411 0.07 . 1 . . . . . 173 ASN N . 27578 1 876 . 1 . 1 178 178 PRO C C 13 179.711 0.00 . 1 . . . . . 178 PRO C . 27578 1 877 . 1 . 1 178 178 PRO CA C 13 66.304 0.07 . 1 . . . . . 178 PRO CA . 27578 1 878 . 1 . 1 178 178 PRO CB C 13 30.591 0.00 . 1 . . . . . 178 PRO CB . 27578 1 879 . 1 . 1 179 179 TYR H H 1 7.915 0.00 . 1 . . . . . 179 TYR H . 27578 1 880 . 1 . 1 179 179 TYR C C 13 177.363 0.00 . 1 . . . . . 179 TYR C . 27578 1 881 . 1 . 1 179 179 TYR N N 15 120.280 0.09 . 1 . . . . . 179 TYR N . 27578 1 882 . 1 . 1 180 180 LYS H H 1 8.835 0.02 . 1 . . . . . 180 LYS H . 27578 1 883 . 1 . 1 180 180 LYS C C 13 177.875 0.00 . 1 . . . . . 180 LYS C . 27578 1 884 . 1 . 1 180 180 LYS CA C 13 60.200 0.07 . 1 . . . . . 180 LYS CA . 27578 1 885 . 1 . 1 180 180 LYS CB C 13 32.664 0.00 . 1 . . . . . 180 LYS CB . 27578 1 886 . 1 . 1 180 180 LYS N N 15 122.568 0.07 . 1 . . . . . 180 LYS N . 27578 1 887 . 1 . 1 181 181 GLU H H 1 8.467 0.00 . 1 . . . . . 181 GLU H . 27578 1 888 . 1 . 1 181 181 GLU C C 13 180.014 0.01 . 1 . . . . . 181 GLU C . 27578 1 889 . 1 . 1 181 181 GLU CA C 13 59.748 0.12 . 1 . . . . . 181 GLU CA . 27578 1 890 . 1 . 1 181 181 GLU CB C 13 28.919 0.07 . 1 . . . . . 181 GLU CB . 27578 1 891 . 1 . 1 181 181 GLU N N 15 118.905 0.07 . 1 . . . . . 181 GLU N . 27578 1 892 . 1 . 1 182 182 THR H H 1 7.827 0.00 . 1 . . . . . 182 THR H . 27578 1 893 . 1 . 1 182 182 THR C C 13 177.009 0.00 . 1 . . . . . 182 THR C . 27578 1 894 . 1 . 1 182 182 THR CA C 13 65.951 0.18 . 1 . . . . . 182 THR CA . 27578 1 895 . 1 . 1 182 182 THR CB C 13 68.173 0.09 . 1 . . . . . 182 THR CB . 27578 1 896 . 1 . 1 182 182 THR N N 15 118.126 0.07 . 1 . . . . . 182 THR N . 27578 1 897 . 1 . 1 183 183 LEU H H 1 9.075 0.00 . 1 . . . . . 183 LEU H . 27578 1 898 . 1 . 1 183 183 LEU HA H 1 3.657 0.00 . 1 . . . . . 183 LEU HA . 27578 1 899 . 1 . 1 183 183 LEU C C 13 178.635 0.09 . 1 . . . . . 183 LEU C . 27578 1 900 . 1 . 1 183 183 LEU CA C 13 58.946 0.11 . 1 . . . . . 183 LEU CA . 27578 1 901 . 1 . 1 183 183 LEU CB C 13 40.974 0.07 . 1 . . . . . 183 LEU CB . 27578 1 902 . 1 . 1 183 183 LEU N N 15 128.276 0.08 . 1 . . . . . 183 LEU N . 27578 1 903 . 1 . 1 184 184 GLU H H 1 8.856 0.00 . 1 . . . . . 184 GLU H . 27578 1 904 . 1 . 1 184 184 GLU C C 13 178.274 0.01 . 1 . . . . . 184 GLU C . 27578 1 905 . 1 . 1 184 184 GLU CA C 13 60.375 0.09 . 1 . . . . . 184 GLU CA . 27578 1 906 . 1 . 1 184 184 GLU CB C 13 28.401 0.00 . 1 . . . . . 184 GLU CB . 27578 1 907 . 1 . 1 184 184 GLU N N 15 119.232 0.08 . 1 . . . . . 184 GLU N . 27578 1 908 . 1 . 1 185 185 ALA H H 1 7.830 0.01 . 1 . . . . . 185 ALA H . 27578 1 909 . 1 . 1 185 185 ALA HB1 H 1 1.540 0.00 . 1 . . . . . 185 ALA HB* . 27578 1 910 . 1 . 1 185 185 ALA HB2 H 1 1.540 0.00 . 1 . . . . . 185 ALA HB* . 27578 1 911 . 1 . 1 185 185 ALA HB3 H 1 1.540 0.00 . 1 . . . . . 185 ALA HB* . 27578 1 912 . 1 . 1 185 185 ALA C C 13 181.255 0.02 . 1 . . . . . 185 ALA C . 27578 1 913 . 1 . 1 185 185 ALA CA C 13 55.234 0.11 . 1 . . . . . 185 ALA CA . 27578 1 914 . 1 . 1 185 185 ALA CB C 13 17.571 0.13 . 1 . . . . . 185 ALA CB . 27578 1 915 . 1 . 1 185 185 ALA N N 15 121.122 0.07 . 1 . . . . . 185 ALA N . 27578 1 916 . 1 . 1 186 186 THR H H 1 7.841 0.00 . 1 . . . . . 186 THR H . 27578 1 917 . 1 . 1 186 186 THR C C 13 176.258 0.00 . 1 . . . . . 186 THR C . 27578 1 918 . 1 . 1 186 186 THR CA C 13 67.219 0.13 . 1 . . . . . 186 THR CA . 27578 1 919 . 1 . 1 186 186 THR CB C 13 68.290 0.12 . 1 . . . . . 186 THR CB . 27578 1 920 . 1 . 1 186 186 THR N N 15 118.502 0.07 . 1 . . . . . 186 THR N . 27578 1 921 . 1 . 1 187 187 LEU H H 1 8.620 0.01 . 1 . . . . . 187 LEU H . 27578 1 922 . 1 . 1 187 187 LEU C C 13 180.082 0.04 . 1 . . . . . 187 LEU C . 27578 1 923 . 1 . 1 187 187 LEU CA C 13 59.153 0.07 . 1 . . . . . 187 LEU CA . 27578 1 924 . 1 . 1 187 187 LEU CB C 13 39.115 0.00 . 1 . . . . . 187 LEU CB . 27578 1 925 . 1 . 1 187 187 LEU N N 15 122.517 0.09 . 1 . . . . . 187 LEU N . 27578 1 926 . 1 . 1 188 188 ASP H H 1 8.668 0.00 . 1 . . . . . 188 ASP H . 27578 1 927 . 1 . 1 188 188 ASP HB2 H 1 2.673 0.00 . 2 . . . . . 188 ASP HB2 . 27578 1 928 . 1 . 1 188 188 ASP HB3 H 1 2.555 0.00 . 2 . . . . . 188 ASP HB3 . 27578 1 929 . 1 . 1 188 188 ASP C C 13 178.915 0.02 . 1 . . . . . 188 ASP C . 27578 1 930 . 1 . 1 188 188 ASP CA C 13 57.077 0.11 . 1 . . . . . 188 ASP CA . 27578 1 931 . 1 . 1 188 188 ASP CB C 13 41.004 0.09 . 1 . . . . . 188 ASP CB . 27578 1 932 . 1 . 1 188 188 ASP N N 15 118.219 0.07 . 1 . . . . . 188 ASP N . 27578 1 933 . 1 . 1 189 189 SER H H 1 8.096 0.01 . 1 . . . . . 189 SER H . 27578 1 934 . 1 . 1 189 189 SER HA H 1 4.739 0.00 . 1 . . . . . 189 SER HA . 27578 1 935 . 1 . 1 189 189 SER C C 13 177.633 0.00 . 1 . . . . . 189 SER C . 27578 1 936 . 1 . 1 189 189 SER CA C 13 61.983 0.21 . 1 . . . . . 189 SER CA . 27578 1 937 . 1 . 1 189 189 SER CB C 13 62.552 0.00 . 1 . . . . . 189 SER CB . 27578 1 938 . 1 . 1 189 189 SER N N 15 116.515 0.09 . 1 . . . . . 189 SER N . 27578 1 939 . 1 . 1 190 190 LEU H H 1 7.495 0.00 . 1 . . . . . 190 LEU H . 27578 1 940 . 1 . 1 190 190 LEU HA H 1 4.012 0.00 . 1 . . . . . 190 LEU HA . 27578 1 941 . 1 . 1 190 190 LEU C C 13 178.471 0.01 . 1 . . . . . 190 LEU C . 27578 1 942 . 1 . 1 190 190 LEU CA C 13 57.804 0.14 . 1 . . . . . 190 LEU CA . 27578 1 943 . 1 . 1 190 190 LEU CB C 13 41.065 0.00 . 1 . . . . . 190 LEU CB . 27578 1 944 . 1 . 1 190 190 LEU N N 15 123.120 0.11 . 1 . . . . . 190 LEU N . 27578 1 945 . 1 . 1 191 191 GLU H H 1 8.251 0.00 . 1 . . . . . 191 GLU H . 27578 1 946 . 1 . 1 191 191 GLU C C 13 180.981 0.01 . 1 . . . . . 191 GLU C . 27578 1 947 . 1 . 1 191 191 GLU CA C 13 60.218 0.10 . 1 . . . . . 191 GLU CA . 27578 1 948 . 1 . 1 191 191 GLU CB C 13 29.639 0.00 . 1 . . . . . 191 GLU CB . 27578 1 949 . 1 . 1 191 191 GLU N N 15 121.939 0.05 . 1 . . . . . 191 GLU N . 27578 1 950 . 1 . 1 192 192 ARG H H 1 9.062 0.00 . 1 . . . . . 192 ARG H . 27578 1 951 . 1 . 1 192 192 ARG HA H 1 4.156 0.00 . 1 . . . . . 192 ARG HA . 27578 1 952 . 1 . 1 192 192 ARG C C 13 178.209 0.07 . 1 . . . . . 192 ARG C . 27578 1 953 . 1 . 1 192 192 ARG CA C 13 59.268 0.15 . 1 . . . . . 192 ARG CA . 27578 1 954 . 1 . 1 192 192 ARG CB C 13 29.885 0.11 . 1 . . . . . 192 ARG CB . 27578 1 955 . 1 . 1 192 192 ARG N N 15 121.890 0.07 . 1 . . . . . 192 ARG N . 27578 1 956 . 1 . 1 193 193 ALA H H 1 7.496 0.00 . 1 . . . . . 193 ALA H . 27578 1 957 . 1 . 1 193 193 ALA HA H 1 4.360 0.00 . 1 . . . . . 193 ALA HA . 27578 1 958 . 1 . 1 193 193 ALA HB1 H 1 1.558 0.01 . 1 . . . . . 193 ALA HB* . 27578 1 959 . 1 . 1 193 193 ALA HB2 H 1 1.558 0.01 . 1 . . . . . 193 ALA HB* . 27578 1 960 . 1 . 1 193 193 ALA HB3 H 1 1.558 0.01 . 1 . . . . . 193 ALA HB* . 27578 1 961 . 1 . 1 193 193 ALA C C 13 178.108 0.00 . 1 . . . . . 193 ALA C . 27578 1 962 . 1 . 1 193 193 ALA CA C 13 52.562 0.05 . 1 . . . . . 193 ALA CA . 27578 1 963 . 1 . 1 193 193 ALA CB C 13 18.818 0.16 . 1 . . . . . 193 ALA CB . 27578 1 964 . 1 . 1 193 193 ALA N N 15 118.847 0.07 . 1 . . . . . 193 ALA N . 27578 1 965 . 1 . 1 194 194 GLY H H 1 8.053 0.00 . 1 . . . . . 194 GLY H . 27578 1 966 . 1 . 1 194 194 GLY HA2 H 1 4.209 0.00 . 2 . . . . . 194 GLY HA* . 27578 1 967 . 1 . 1 194 194 GLY HA3 H 1 4.209 0.00 . 2 . . . . . 194 GLY HA* . 27578 1 968 . 1 . 1 194 194 GLY C C 13 175.183 0.03 . 1 . . . . . 194 GLY C . 27578 1 969 . 1 . 1 194 194 GLY CA C 13 45.272 0.17 . 1 . . . . . 194 GLY CA . 27578 1 970 . 1 . 1 194 194 GLY N N 15 106.043 0.08 . 1 . . . . . 194 GLY N . 27578 1 971 . 1 . 1 195 195 VAL H H 1 7.463 0.01 . 1 . . . . . 195 VAL H . 27578 1 972 . 1 . 1 195 195 VAL HA H 1 4.137 0.00 . 1 . . . . . 195 VAL HA . 27578 1 973 . 1 . 1 195 195 VAL C C 13 176.577 0.03 . 1 . . . . . 195 VAL C . 27578 1 974 . 1 . 1 195 195 VAL CA C 13 63.127 0.17 . 1 . . . . . 195 VAL CA . 27578 1 975 . 1 . 1 195 195 VAL CB C 13 31.542 0.17 . 1 . . . . . 195 VAL CB . 27578 1 976 . 1 . 1 195 195 VAL N N 15 111.763 0.06 . 1 . . . . . 195 VAL N . 27578 1 977 . 1 . 1 196 196 TRP H H 1 7.794 0.00 . 1 . . . . . 196 TRP H . 27578 1 978 . 1 . 1 196 196 TRP HA H 1 5.434 0.00 . 1 . . . . . 196 TRP HA . 27578 1 979 . 1 . 1 196 196 TRP C C 13 173.560 0.01 . 1 . . . . . 196 TRP C . 27578 1 980 . 1 . 1 196 196 TRP CA C 13 53.686 0.03 . 1 . . . . . 196 TRP CA . 27578 1 981 . 1 . 1 196 196 TRP CB C 13 30.815 0.08 . 1 . . . . . 196 TRP CB . 27578 1 982 . 1 . 1 196 196 TRP N N 15 114.751 0.08 . 1 . . . . . 196 TRP N . 27578 1 983 . 1 . 1 197 197 GLU H H 1 8.818 0.00 . 1 . . . . . 197 GLU H . 27578 1 984 . 1 . 1 197 197 GLU HA H 1 5.006 0.01 . 1 . . . . . 197 GLU HA . 27578 1 985 . 1 . 1 197 197 GLU HB2 H 1 1.965 0.00 . 2 . . . . . 197 GLU HB* . 27578 1 986 . 1 . 1 197 197 GLU HB3 H 1 1.965 0.00 . 2 . . . . . 197 GLU HB* . 27578 1 987 . 1 . 1 197 197 GLU C C 13 173.975 0.01 . 1 . . . . . 197 GLU C . 27578 1 988 . 1 . 1 197 197 GLU CA C 13 54.070 0.16 . 1 . . . . . 197 GLU CA . 27578 1 989 . 1 . 1 197 197 GLU CB C 13 33.480 0.15 . 1 . . . . . 197 GLU CB . 27578 1 990 . 1 . 1 197 197 GLU N N 15 118.148 0.08 . 1 . . . . . 197 GLU N . 27578 1 991 . 1 . 1 198 198 CYS H H 1 8.772 0.00 . 1 . . . . . 198 CYS H . 27578 1 992 . 1 . 1 198 198 CYS C C 13 174.728 0.01 . 1 . . . . . 198 CYS C . 27578 1 993 . 1 . 1 198 198 CYS CA C 13 60.070 0.13 . 1 . . . . . 198 CYS CA . 27578 1 994 . 1 . 1 198 198 CYS CB C 13 27.197 0.08 . 1 . . . . . 198 CYS CB . 27578 1 995 . 1 . 1 198 198 CYS N N 15 126.127 0.10 . 1 . . . . . 198 CYS N . 27578 1 996 . 1 . 1 199 199 LEU H H 1 9.031 0.00 . 1 . . . . . 199 LEU H . 27578 1 997 . 1 . 1 199 199 LEU HA H 1 4.368 0.00 . 1 . . . . . 199 LEU HA . 27578 1 998 . 1 . 1 199 199 LEU C C 13 176.984 0.00 . 1 . . . . . 199 LEU C . 27578 1 999 . 1 . 1 199 199 LEU CA C 13 55.961 0.06 . 1 . . . . . 199 LEU CA . 27578 1 1000 . 1 . 1 199 199 LEU CB C 13 43.077 0.00 . 1 . . . . . 199 LEU CB . 27578 1 1001 . 1 . 1 199 199 LEU N N 15 130.008 0.08 . 1 . . . . . 199 LEU N . 27578 1 1002 . 1 . 1 200 200 VAL H H 1 7.629 0.00 . 1 . . . . . 200 VAL H . 27578 1 1003 . 1 . 1 200 200 VAL HA H 1 4.226 0.00 . 1 . . . . . 200 VAL HA . 27578 1 1004 . 1 . 1 200 200 VAL C C 13 173.792 0.01 . 1 . . . . . 200 VAL C . 27578 1 1005 . 1 . 1 200 200 VAL CA C 13 61.337 0.10 . 1 . . . . . 200 VAL CA . 27578 1 1006 . 1 . 1 200 200 VAL CB C 13 36.657 0.17 . 1 . . . . . 200 VAL CB . 27578 1 1007 . 1 . 1 200 200 VAL N N 15 117.665 0.10 . 1 . . . . . 200 VAL N . 27578 1 1008 . 1 . 1 201 201 THR H H 1 7.929 0.01 . 1 . . . . . 201 THR H . 27578 1 1009 . 1 . 1 201 201 THR C C 13 173.664 0.11 . 1 . . . . . 201 THR C . 27578 1 1010 . 1 . 1 201 201 THR CA C 13 61.474 0.05 . 1 . . . . . 201 THR CA . 27578 1 1011 . 1 . 1 201 201 THR CB C 13 70.311 0.01 . 1 . . . . . 201 THR CB . 27578 1 1012 . 1 . 1 201 201 THR N N 15 120.007 0.07 . 1 . . . . . 201 THR N . 27578 1 1013 . 1 . 1 202 202 GLN H H 1 9.254 0.01 . 1 . . . . . 202 GLN H . 27578 1 1014 . 1 . 1 202 202 GLN CA C 13 51.857 0.00 . 1 . . . . . 202 GLN CA . 27578 1 1015 . 1 . 1 202 202 GLN CB C 13 31.454 0.00 . 1 . . . . . 202 GLN CB . 27578 1 1016 . 1 . 1 202 202 GLN N N 15 125.921 0.11 . 1 . . . . . 202 GLN N . 27578 1 1017 . 1 . 1 203 203 PRO C C 13 176.480 0.00 . 1 . . . . . 203 PRO C . 27578 1 1018 . 1 . 1 203 203 PRO CA C 13 62.270 0.11 . 1 . . . . . 203 PRO CA . 27578 1 1019 . 1 . 1 203 203 PRO CB C 13 32.152 0.00 . 1 . . . . . 203 PRO CB . 27578 1 1020 . 1 . 1 204 204 VAL H H 1 8.559 0.01 . 1 . . . . . 204 VAL H . 27578 1 1021 . 1 . 1 204 204 VAL C C 13 178.696 0.00 . 1 . . . . . 204 VAL C . 27578 1 1022 . 1 . 1 204 204 VAL CA C 13 61.373 0.00 . 1 . . . . . 204 VAL CA . 27578 1 1023 . 1 . 1 204 204 VAL N N 15 123.325 0.08 . 1 . . . . . 204 VAL N . 27578 1 1024 . 1 . 1 205 205 ASP C C 13 175.855 0.00 . 1 . . . . . 205 ASP C . 27578 1 1025 . 1 . 1 205 205 ASP CA C 13 52.511 0.04 . 1 . . . . . 205 ASP CA . 27578 1 1026 . 1 . 1 205 205 ASP CB C 13 41.985 0.00 . 1 . . . . . 205 ASP CB . 27578 1 1027 . 1 . 1 206 206 HIS H H 1 7.534 0.01 . 1 . . . . . 206 HIS H . 27578 1 1028 . 1 . 1 206 206 HIS C C 13 176.177 0.00 . 1 . . . . . 206 HIS C . 27578 1 1029 . 1 . 1 206 206 HIS CA C 13 59.413 0.00 . 1 . . . . . 206 HIS CA . 27578 1 1030 . 1 . 1 206 206 HIS N N 15 120.483 0.11 . 1 . . . . . 206 HIS N . 27578 1 1031 . 1 . 1 208 208 GLU HB2 H 1 1.739 0.00 . 2 . . . . . 208 GLU HB* . 27578 1 1032 . 1 . 1 208 208 GLU HB3 H 1 1.739 0.00 . 2 . . . . . 208 GLU HB* . 27578 1 1033 . 1 . 1 208 208 GLU C C 13 176.460 0.01 . 1 . . . . . 208 GLU C . 27578 1 1034 . 1 . 1 208 208 GLU CA C 13 56.643 0.21 . 1 . . . . . 208 GLU CA . 27578 1 1035 . 1 . 1 208 208 GLU CB C 13 32.651 0.10 . 1 . . . . . 208 GLU CB . 27578 1 1036 . 1 . 1 209 209 LEU H H 1 7.980 0.00 . 1 . . . . . 209 LEU H . 27578 1 1037 . 1 . 1 209 209 LEU HB2 H 1 1.546 0.00 . 2 . . . . . 209 LEU HB* . 27578 1 1038 . 1 . 1 209 209 LEU HB3 H 1 1.546 0.00 . 2 . . . . . 209 LEU HB* . 27578 1 1039 . 1 . 1 209 209 LEU C C 13 176.897 0.13 . 1 . . . . . 209 LEU C . 27578 1 1040 . 1 . 1 209 209 LEU CA C 13 55.206 0.10 . 1 . . . . . 209 LEU CA . 27578 1 1041 . 1 . 1 209 209 LEU CB C 13 42.356 0.28 . 1 . . . . . 209 LEU CB . 27578 1 1042 . 1 . 1 209 209 LEU N N 15 121.575 0.12 . 1 . . . . . 209 LEU N . 27578 1 1043 . 1 . 1 210 210 ALA H H 1 8.307 0.00 . 1 . . . . . 210 ALA H . 27578 1 1044 . 1 . 1 210 210 ALA HA H 1 3.986 0.00 . 1 . . . . . 210 ALA HA . 27578 1 1045 . 1 . 1 210 210 ALA HB1 H 1 1.255 0.01 . 1 . . . . . 210 ALA HB* . 27578 1 1046 . 1 . 1 210 210 ALA HB2 H 1 1.255 0.01 . 1 . . . . . 210 ALA HB* . 27578 1 1047 . 1 . 1 210 210 ALA HB3 H 1 1.255 0.01 . 1 . . . . . 210 ALA HB* . 27578 1 1048 . 1 . 1 210 210 ALA C C 13 177.339 0.20 . 1 . . . . . 210 ALA C . 27578 1 1049 . 1 . 1 210 210 ALA CA C 13 52.265 0.09 . 1 . . . . . 210 ALA CA . 27578 1 1050 . 1 . 1 210 210 ALA CB C 13 19.238 0.19 . 1 . . . . . 210 ALA CB . 27578 1 1051 . 1 . 1 210 210 ALA N N 15 126.164 0.05 . 1 . . . . . 210 ALA N . 27578 1 1052 . 1 . 1 211 211 THR H H 1 8.058 0.01 . 1 . . . . . 211 THR H . 27578 1 1053 . 1 . 1 211 211 THR HA H 1 4.361 0.00 . 1 . . . . . 211 THR HA . 27578 1 1054 . 1 . 1 211 211 THR HB H 1 4.260 0.00 . 1 . . . . . 211 THR HB . 27578 1 1055 . 1 . 1 211 211 THR C C 13 174.648 0.02 . 1 . . . . . 211 THR C . 27578 1 1056 . 1 . 1 211 211 THR CA C 13 61.399 0.11 . 1 . . . . . 211 THR CA . 27578 1 1057 . 1 . 1 211 211 THR CB C 13 69.815 0.12 . 1 . . . . . 211 THR CB . 27578 1 1058 . 1 . 1 211 211 THR N N 15 112.682 0.09 . 1 . . . . . 211 THR N . 27578 1 1059 . 1 . 1 212 212 SER H H 1 8.276 0.01 . 1 . . . . . 212 SER H . 27578 1 1060 . 1 . 1 212 212 SER HA H 1 4.437 0.01 . 1 . . . . . 212 SER HA . 27578 1 1061 . 1 . 1 212 212 SER HB2 H 1 3.911 0.01 . 2 . . . . . 212 SER HB2 . 27578 1 1062 . 1 . 1 212 212 SER HB3 H 1 3.843 0.01 . 2 . . . . . 212 SER HB3 . 27578 1 1063 . 1 . 1 212 212 SER C C 13 174.824 0.00 . 1 . . . . . 212 SER C . 27578 1 1064 . 1 . 1 212 212 SER CA C 13 58.514 0.06 . 1 . . . . . 212 SER CA . 27578 1 1065 . 1 . 1 212 212 SER CB C 13 63.728 0.11 . 1 . . . . . 212 SER CB . 27578 1 1066 . 1 . 1 212 212 SER N N 15 117.012 0.09 . 1 . . . . . 212 SER N . 27578 1 1067 . 1 . 1 213 213 GLU H H 1 8.493 0.00 . 1 . . . . . 213 GLU H . 27578 1 1068 . 1 . 1 213 213 GLU HA H 1 4.234 0.00 . 1 . . . . . 213 GLU HA . 27578 1 1069 . 1 . 1 213 213 GLU HB2 H 1 2.041 0.00 . 2 . . . . . 213 GLU HB2 . 27578 1 1070 . 1 . 1 213 213 GLU HB3 H 1 1.940 0.00 . 2 . . . . . 213 GLU HB3 . 27578 1 1071 . 1 . 1 213 213 GLU C C 13 176.631 0.09 . 1 . . . . . 213 GLU C . 27578 1 1072 . 1 . 1 213 213 GLU CA C 13 57.185 0.13 . 1 . . . . . 213 GLU CA . 27578 1 1073 . 1 . 1 213 213 GLU CB C 13 29.671 0.11 . 1 . . . . . 213 GLU CB . 27578 1 1074 . 1 . 1 213 213 GLU N N 15 122.204 0.09 . 1 . . . . . 213 GLU N . 27578 1 1075 . 1 . 1 214 214 GLN H H 1 8.134 0.00 . 1 . . . . . 214 GLN H . 27578 1 1076 . 1 . 1 214 214 GLN HA H 1 4.281 0.01 . 1 . . . . . 214 GLN HA . 27578 1 1077 . 1 . 1 214 214 GLN HB2 H 1 2.084 0.01 . 2 . . . . . 214 GLN HB2 . 27578 1 1078 . 1 . 1 214 214 GLN HB3 H 1 1.984 0.01 . 2 . . . . . 214 GLN HB3 . 27578 1 1079 . 1 . 1 214 214 GLN C C 13 176.152 0.02 . 1 . . . . . 214 GLN C . 27578 1 1080 . 1 . 1 214 214 GLN CA C 13 56.254 0.05 . 1 . . . . . 214 GLN CA . 27578 1 1081 . 1 . 1 214 214 GLN CB C 13 29.205 0.09 . 1 . . . . . 214 GLN CB . 27578 1 1082 . 1 . 1 214 214 GLN N N 15 119.270 0.07 . 1 . . . . . 214 GLN N . 27578 1 1083 . 1 . 1 215 215 GLU H H 1 8.235 0.01 . 1 . . . . . 215 GLU H . 27578 1 1084 . 1 . 1 215 215 GLU HA H 1 4.314 0.02 . 1 . . . . . 215 GLU HA . 27578 1 1085 . 1 . 1 215 215 GLU HB2 H 1 2.075 0.01 . 2 . . . . . 215 GLU HB2 . 27578 1 1086 . 1 . 1 215 215 GLU HB3 H 1 1.982 0.00 . 2 . . . . . 215 GLU HB3 . 27578 1 1087 . 1 . 1 215 215 GLU C C 13 176.764 0.01 . 1 . . . . . 215 GLU C . 27578 1 1088 . 1 . 1 215 215 GLU CA C 13 56.767 0.19 . 1 . . . . . 215 GLU CA . 27578 1 1089 . 1 . 1 215 215 GLU CB C 13 30.104 0.09 . 1 . . . . . 215 GLU CB . 27578 1 1090 . 1 . 1 215 215 GLU N N 15 120.738 0.05 . 1 . . . . . 215 GLU N . 27578 1 1091 . 1 . 1 216 216 THR H H 1 8.052 0.00 . 1 . . . . . 216 THR H . 27578 1 1092 . 1 . 1 216 216 THR HA H 1 4.311 0.01 . 1 . . . . . 216 THR HA . 27578 1 1093 . 1 . 1 216 216 THR HB H 1 4.252 0.00 . 1 . . . . . 216 THR HB . 27578 1 1094 . 1 . 1 216 216 THR C C 13 175.382 0.05 . 1 . . . . . 216 THR C . 27578 1 1095 . 1 . 1 216 216 THR CA C 13 62.083 0.25 . 1 . . . . . 216 THR CA . 27578 1 1096 . 1 . 1 216 216 THR CB C 13 69.665 0.08 . 1 . . . . . 216 THR CB . 27578 1 1097 . 1 . 1 216 216 THR N N 15 113.285 0.10 . 1 . . . . . 216 THR N . 27578 1 1098 . 1 . 1 217 217 GLY H H 1 8.348 0.00 . 1 . . . . . 217 GLY H . 27578 1 1099 . 1 . 1 217 217 GLY HA2 H 1 3.974 0.01 . 2 . . . . . 217 GLY HA* . 27578 1 1100 . 1 . 1 217 217 GLY HA3 H 1 3.974 0.01 . 2 . . . . . 217 GLY HA* . 27578 1 1101 . 1 . 1 217 217 GLY C C 13 174.157 0.05 . 1 . . . . . 217 GLY C . 27578 1 1102 . 1 . 1 217 217 GLY CA C 13 45.333 0.15 . 1 . . . . . 217 GLY CA . 27578 1 1103 . 1 . 1 217 217 GLY N N 15 110.701 0.05 . 1 . . . . . 217 GLY N . 27578 1 1104 . 1 . 1 218 218 LEU H H 1 8.088 0.00 . 1 . . . . . 218 LEU H . 27578 1 1105 . 1 . 1 218 218 LEU HA H 1 4.350 0.01 . 1 . . . . . 218 LEU HA . 27578 1 1106 . 1 . 1 218 218 LEU HB2 H 1 1.603 0.01 . 2 . . . . . 218 LEU HB* . 27578 1 1107 . 1 . 1 218 218 LEU HB3 H 1 1.603 0.01 . 2 . . . . . 218 LEU HB* . 27578 1 1108 . 1 . 1 218 218 LEU HG H 1 1.588 0.00 . 1 . . . . . 218 LEU HG . 27578 1 1109 . 1 . 1 218 218 LEU HD11 H 1 0.858 0.01 . 2 . . . . . 218 LEU HD1* . 27578 1 1110 . 1 . 1 218 218 LEU HD12 H 1 0.858 0.01 . 2 . . . . . 218 LEU HD1* . 27578 1 1111 . 1 . 1 218 218 LEU HD13 H 1 0.858 0.01 . 2 . . . . . 218 LEU HD1* . 27578 1 1112 . 1 . 1 218 218 LEU C C 13 177.926 0.01 . 1 . . . . . 218 LEU C . 27578 1 1113 . 1 . 1 218 218 LEU CA C 13 55.276 0.07 . 1 . . . . . 218 LEU CA . 27578 1 1114 . 1 . 1 218 218 LEU CB C 13 42.142 0.15 . 1 . . . . . 218 LEU CB . 27578 1 1115 . 1 . 1 218 218 LEU CG C 13 26.895 0.02 . 1 . . . . . 218 LEU CG . 27578 1 1116 . 1 . 1 218 218 LEU CD1 C 13 24.670 0.05 . 2 . . . . . 218 LEU CD1 . 27578 1 1117 . 1 . 1 218 218 LEU N N 15 121.294 0.07 . 1 . . . . . 218 LEU N . 27578 1 1118 . 1 . 1 219 219 GLY H H 1 8.442 0.00 . 1 . . . . . 219 GLY H . 27578 1 1119 . 1 . 1 219 219 GLY HA2 H 1 3.986 0.01 . 2 . . . . . 219 GLY HA* . 27578 1 1120 . 1 . 1 219 219 GLY HA3 H 1 3.986 0.01 . 2 . . . . . 219 GLY HA* . 27578 1 1121 . 1 . 1 219 219 GLY C C 13 174.438 0.02 . 1 . . . . . 219 GLY C . 27578 1 1122 . 1 . 1 219 219 GLY CA C 13 45.281 0.14 . 1 . . . . . 219 GLY CA . 27578 1 1123 . 1 . 1 219 219 GLY N N 15 109.245 0.07 . 1 . . . . . 219 GLY N . 27578 1 1124 . 1 . 1 220 220 THR H H 1 7.995 0.00 . 1 . . . . . 220 THR H . 27578 1 1125 . 1 . 1 220 220 THR HA H 1 4.335 0.02 . 1 . . . . . 220 THR HA . 27578 1 1126 . 1 . 1 220 220 THR HB H 1 4.215 0.00 . 1 . . . . . 220 THR HB . 27578 1 1127 . 1 . 1 220 220 THR HG21 H 1 1.199 0.00 . 1 . . . . . 220 THR HG2* . 27578 1 1128 . 1 . 1 220 220 THR HG22 H 1 1.199 0.00 . 1 . . . . . 220 THR HG2* . 27578 1 1129 . 1 . 1 220 220 THR HG23 H 1 1.199 0.00 . 1 . . . . . 220 THR HG2* . 27578 1 1130 . 1 . 1 220 220 THR C C 13 174.674 0.01 . 1 . . . . . 220 THR C . 27578 1 1131 . 1 . 1 220 220 THR CA C 13 61.875 0.20 . 1 . . . . . 220 THR CA . 27578 1 1132 . 1 . 1 220 220 THR CB C 13 69.591 0.10 . 1 . . . . . 220 THR CB . 27578 1 1133 . 1 . 1 220 220 THR CG2 C 13 19.566 0.00 . 1 . . . . . 220 THR CG2 . 27578 1 1134 . 1 . 1 220 220 THR N N 15 113.021 0.07 . 1 . . . . . 220 THR N . 27578 1 1135 . 1 . 1 221 221 CYS H H 1 8.368 0.01 . 1 . . . . . 221 CYS H . 27578 1 1136 . 1 . 1 221 221 CYS HA H 1 4.497 0.01 . 1 . . . . . 221 CYS HA . 27578 1 1137 . 1 . 1 221 221 CYS HB3 H 1 2.946 0.00 . 2 . . . . . 221 CYS HB3 . 27578 1 1138 . 1 . 1 221 221 CYS C C 13 174.355 0.00 . 1 . . . . . 221 CYS C . 27578 1 1139 . 1 . 1 221 221 CYS CA C 13 58.336 0.18 . 1 . . . . . 221 CYS CA . 27578 1 1140 . 1 . 1 221 221 CYS CB C 13 27.987 0.07 . 1 . . . . . 221 CYS CB . 27578 1 1141 . 1 . 1 221 221 CYS N N 15 120.838 0.11 . 1 . . . . . 221 CYS N . 27578 1 1142 . 1 . 1 222 222 ALA H H 1 8.334 0.01 . 1 . . . . . 222 ALA H . 27578 1 1143 . 1 . 1 222 222 ALA HA H 1 4.340 0.00 . 1 . . . . . 222 ALA HA . 27578 1 1144 . 1 . 1 222 222 ALA HB1 H 1 1.365 0.01 . 1 . . . . . 222 ALA HB* . 27578 1 1145 . 1 . 1 222 222 ALA HB2 H 1 1.365 0.01 . 1 . . . . . 222 ALA HB* . 27578 1 1146 . 1 . 1 222 222 ALA HB3 H 1 1.365 0.01 . 1 . . . . . 222 ALA HB* . 27578 1 1147 . 1 . 1 222 222 ALA C C 13 177.599 0.03 . 1 . . . . . 222 ALA C . 27578 1 1148 . 1 . 1 222 222 ALA CA C 13 52.731 0.00 . 1 . . . . . 222 ALA CA . 27578 1 1149 . 1 . 1 222 222 ALA CB C 13 19.248 0.00 . 1 . . . . . 222 ALA CB . 27578 1 1150 . 1 . 1 222 222 ALA N N 15 125.819 0.06 . 1 . . . . . 222 ALA N . 27578 1 1151 . 1 . 1 223 223 ASN H H 1 8.474 0.01 . 1 . . . . . 223 ASN H . 27578 1 1152 . 1 . 1 223 223 ASN HA H 1 4.735 0.02 . 1 . . . . . 223 ASN HA . 27578 1 1153 . 1 . 1 223 223 ASN HB2 H 1 2.925 0.02 . 2 . . . . . 223 ASN HB2 . 27578 1 1154 . 1 . 1 223 223 ASN HB3 H 1 2.730 0.01 . 2 . . . . . 223 ASN HB3 . 27578 1 1155 . 1 . 1 223 223 ASN HD21 H 1 7.454 0.00 . 2 . . . . . 223 ASN HD21 . 27578 1 1156 . 1 . 1 223 223 ASN HD22 H 1 6.896 0.00 . 2 . . . . . 223 ASN HD22 . 27578 1 1157 . 1 . 1 223 223 ASN C C 13 174.918 0.00 . 1 . . . . . 223 ASN C . 27578 1 1158 . 1 . 1 223 223 ASN CA C 13 53.329 0.23 . 1 . . . . . 223 ASN CA . 27578 1 1159 . 1 . 1 223 223 ASN CB C 13 38.965 0.18 . 1 . . . . . 223 ASN CB . 27578 1 1160 . 1 . 1 223 223 ASN CG C 13 177.219 0.01 . 1 . . . . . 223 ASN CG . 27578 1 1161 . 1 . 1 223 223 ASN N N 15 118.154 0.09 . 1 . . . . . 223 ASN N . 27578 1 1162 . 1 . 1 223 223 ASN ND2 N 15 112.532 0.00 . 1 . . . . . 223 ASN ND2 . 27578 1 1163 . 1 . 1 224 224 ASP H H 1 8.255 0.01 . 1 . . . . . 224 ASP H . 27578 1 1164 . 1 . 1 224 224 ASP HA H 1 4.536 0.01 . 1 . . . . . 224 ASP HA . 27578 1 1165 . 1 . 1 224 224 ASP HB2 H 1 2.752 0.00 . 2 . . . . . 224 ASP HB* . 27578 1 1166 . 1 . 1 224 224 ASP HB3 H 1 2.752 0.00 . 2 . . . . . 224 ASP HB* . 27578 1 1167 . 1 . 1 224 224 ASP C C 13 175.804 0.00 . 1 . . . . . 224 ASP C . 27578 1 1168 . 1 . 1 224 224 ASP CA C 13 54.704 0.05 . 1 . . . . . 224 ASP CA . 27578 1 1169 . 1 . 1 224 224 ASP CB C 13 40.866 0.11 . 1 . . . . . 224 ASP CB . 27578 1 1170 . 1 . 1 224 224 ASP N N 15 118.099 0.09 . 1 . . . . . 224 ASP N . 27578 1 1171 . 1 . 1 225 225 GLY H H 1 8.154 0.00 . 1 . . . . . 225 GLY H . 27578 1 1172 . 1 . 1 225 225 GLY HA2 H 1 3.942 0.00 . 2 . . . . . 225 GLY HA* . 27578 1 1173 . 1 . 1 225 225 GLY HA3 H 1 3.942 0.00 . 2 . . . . . 225 GLY HA* . 27578 1 1174 . 1 . 1 225 225 GLY C C 13 173.595 0.03 . 1 . . . . . 225 GLY C . 27578 1 1175 . 1 . 1 225 225 GLY CA C 13 45.223 0.15 . 1 . . . . . 225 GLY CA . 27578 1 1176 . 1 . 1 225 225 GLY N N 15 106.026 0.09 . 1 . . . . . 225 GLY N . 27578 1 1177 . 1 . 1 226 226 PHE H H 1 8.054 0.01 . 1 . . . . . 226 PHE H . 27578 1 1178 . 1 . 1 226 226 PHE C C 13 176.399 0.00 . 1 . . . . . 226 PHE C . 27578 1 1179 . 1 . 1 226 226 PHE CA C 13 57.760 0.19 . 1 . . . . . 226 PHE CA . 27578 1 1180 . 1 . 1 226 226 PHE N N 15 118.060 0.08 . 1 . . . . . 226 PHE N . 27578 1 1181 . 1 . 1 228 228 SER C C 13 174.334 0.00 . 1 . . . . . 228 SER C . 27578 1 1182 . 1 . 1 228 228 SER CA C 13 58.008 0.00 . 1 . . . . . 228 SER CA . 27578 1 1183 . 1 . 1 229 229 GLY H H 1 8.546 0.00 . 1 . . . . . 229 GLY H . 27578 1 1184 . 1 . 1 229 229 GLY HA2 H 1 3.852 0.00 . 2 . . . . . 229 GLY HA* . 27578 1 1185 . 1 . 1 229 229 GLY HA3 H 1 3.852 0.00 . 2 . . . . . 229 GLY HA* . 27578 1 1186 . 1 . 1 229 229 GLY CA C 13 45.284 0.15 . 1 . . . . . 229 GLY CA . 27578 1 1187 . 1 . 1 229 229 GLY N N 15 107.028 0.04 . 1 . . . . . 229 GLY N . 27578 1 1188 . 1 . 1 230 230 ILE H H 1 7.974 0.00 . 1 . . . . . 230 ILE H . 27578 1 1189 . 1 . 1 230 230 ILE C C 13 176.957 0.00 . 1 . . . . . 230 ILE C . 27578 1 1190 . 1 . 1 230 230 ILE CA C 13 57.708 0.07 . 1 . . . . . 230 ILE CA . 27578 1 1191 . 1 . 1 230 230 ILE CB C 13 39.330 0.00 . 1 . . . . . 230 ILE CB . 27578 1 1192 . 1 . 1 230 230 ILE N N 15 120.048 0.06 . 1 . . . . . 230 ILE N . 27578 1 1193 . 1 . 1 231 231 ILE C C 13 173.461 0.00 . 1 . . . . . 231 ILE C . 27578 1 1194 . 1 . 1 231 231 ILE CA C 13 59.898 0.07 . 1 . . . . . 231 ILE CA . 27578 1 1195 . 1 . 1 232 232 TYR H H 1 9.366 0.00 . 1 . . . . . 232 TYR H . 27578 1 1196 . 1 . 1 232 232 TYR HA H 1 5.051 0.00 . 1 . . . . . 232 TYR HA . 27578 1 1197 . 1 . 1 232 232 TYR C C 13 174.841 0.00 . 1 . . . . . 232 TYR C . 27578 1 1198 . 1 . 1 232 232 TYR CA C 13 55.769 0.19 . 1 . . . . . 232 TYR CA . 27578 1 1199 . 1 . 1 232 232 TYR CB C 13 41.199 0.09 . 1 . . . . . 232 TYR CB . 27578 1 1200 . 1 . 1 232 232 TYR N N 15 124.130 0.06 . 1 . . . . . 232 TYR N . 27578 1 1201 . 1 . 1 233 233 LEU H H 1 8.668 0.01 . 1 . . . . . 233 LEU H . 27578 1 1202 . 1 . 1 233 233 LEU HA H 1 5.479 0.01 . 1 . . . . . 233 LEU HA . 27578 1 1203 . 1 . 1 233 233 LEU HB2 H 1 1.789 0.00 . 2 . . . . . 233 LEU HB2 . 27578 1 1204 . 1 . 1 233 233 LEU HB3 H 1 1.222 0.00 . 2 . . . . . 233 LEU HB3 . 27578 1 1205 . 1 . 1 233 233 LEU C C 13 174.165 0.04 . 1 . . . . . 233 LEU C . 27578 1 1206 . 1 . 1 233 233 LEU CA C 13 53.797 0.06 . 1 . . . . . 233 LEU CA . 27578 1 1207 . 1 . 1 233 233 LEU CB C 13 46.311 0.11 . 1 . . . . . 233 LEU CB . 27578 1 1208 . 1 . 1 233 233 LEU N N 15 122.555 0.08 . 1 . . . . . 233 LEU N . 27578 1 1209 . 1 . 1 234 234 TYR H H 1 9.154 0.01 . 1 . . . . . 234 TYR H . 27578 1 1210 . 1 . 1 234 234 TYR C C 13 173.852 0.00 . 1 . . . . . 234 TYR C . 27578 1 1211 . 1 . 1 234 234 TYR CA C 13 56.307 0.15 . 1 . . . . . 234 TYR CA . 27578 1 1212 . 1 . 1 234 234 TYR CB C 13 44.456 0.00 . 1 . . . . . 234 TYR CB . 27578 1 1213 . 1 . 1 234 234 TYR N N 15 127.694 0.09 . 1 . . . . . 234 TYR N . 27578 1 1214 . 1 . 1 235 235 ARG H H 1 8.953 0.00 . 1 . . . . . 235 ARG H . 27578 1 1215 . 1 . 1 235 235 ARG HA H 1 5.417 0.00 . 1 . . . . . 235 ARG HA . 27578 1 1216 . 1 . 1 235 235 ARG C C 13 176.886 0.01 . 1 . . . . . 235 ARG C . 27578 1 1217 . 1 . 1 235 235 ARG CA C 13 53.497 0.09 . 1 . . . . . 235 ARG CA . 27578 1 1218 . 1 . 1 235 235 ARG CB C 13 33.644 0.00 . 1 . . . . . 235 ARG CB . 27578 1 1219 . 1 . 1 235 235 ARG N N 15 119.770 0.11 . 1 . . . . . 235 ARG N . 27578 1 1220 . 1 . 1 236 236 LYS H H 1 9.355 0.01 . 1 . . . . . 236 LYS H . 27578 1 1221 . 1 . 1 236 236 LYS C C 13 176.211 0.06 . 1 . . . . . 236 LYS C . 27578 1 1222 . 1 . 1 236 236 LYS CA C 13 57.726 0.07 . 1 . . . . . 236 LYS CA . 27578 1 1223 . 1 . 1 236 236 LYS CB C 13 33.578 0.00 . 1 . . . . . 236 LYS CB . 27578 1 1224 . 1 . 1 236 236 LYS N N 15 130.930 0.09 . 1 . . . . . 236 LYS N . 27578 1 1225 . 1 . 1 237 237 GLN H H 1 8.082 0.00 . 1 . . . . . 237 GLN H . 27578 1 1226 . 1 . 1 237 237 GLN HA H 1 4.330 0.00 . 1 . . . . . 237 GLN HA . 27578 1 1227 . 1 . 1 237 237 GLN HB2 H 1 2.114 0.00 . 2 . . . . . 237 GLN HB2 . 27578 1 1228 . 1 . 1 237 237 GLN HB3 H 1 1.976 0.00 . 2 . . . . . 237 GLN HB3 . 27578 1 1229 . 1 . 1 237 237 GLN C C 13 176.129 0.02 . 1 . . . . . 237 GLN C . 27578 1 1230 . 1 . 1 237 237 GLN CA C 13 56.858 0.20 . 1 . . . . . 237 GLN CA . 27578 1 1231 . 1 . 1 237 237 GLN CB C 13 29.235 0.15 . 1 . . . . . 237 GLN CB . 27578 1 1232 . 1 . 1 237 237 GLN N N 15 127.735 0.09 . 1 . . . . . 237 GLN N . 27578 1 1233 . 1 . 1 238 238 GLU H H 1 8.627 0.00 . 1 . . . . . 238 GLU H . 27578 1 1234 . 1 . 1 238 238 GLU HA H 1 4.252 0.01 . 1 . . . . . 238 GLU HA . 27578 1 1235 . 1 . 1 238 238 GLU HB2 H 1 2.065 0.01 . 2 . . . . . 238 GLU HB2 . 27578 1 1236 . 1 . 1 238 238 GLU HB3 H 1 1.923 0.00 . 2 . . . . . 238 GLU HB3 . 27578 1 1237 . 1 . 1 238 238 GLU C C 13 176.099 0.00 . 1 . . . . . 238 GLU C . 27578 1 1238 . 1 . 1 238 238 GLU CA C 13 56.802 0.17 . 1 . . . . . 238 GLU CA . 27578 1 1239 . 1 . 1 238 238 GLU CB C 13 30.669 0.16 . 1 . . . . . 238 GLU CB . 27578 1 1240 . 1 . 1 238 238 GLU N N 15 123.035 0.07 . 1 . . . . . 238 GLU N . 27578 1 1241 . 1 . 1 239 239 THR H H 1 8.201 0.00 . 1 . . . . . 239 THR H . 27578 1 1242 . 1 . 1 239 239 THR HA H 1 4.363 0.01 . 1 . . . . . 239 THR HA . 27578 1 1243 . 1 . 1 239 239 THR HB H 1 4.193 0.02 . 1 . . . . . 239 THR HB . 27578 1 1244 . 1 . 1 239 239 THR HG21 H 1 1.184 0.00 . 1 . . . . . 239 THR HG2* . 27578 1 1245 . 1 . 1 239 239 THR HG22 H 1 1.184 0.00 . 1 . . . . . 239 THR HG2* . 27578 1 1246 . 1 . 1 239 239 THR HG23 H 1 1.184 0.00 . 1 . . . . . 239 THR HG2* . 27578 1 1247 . 1 . 1 239 239 THR C C 13 173.546 0.02 . 1 . . . . . 239 THR C . 27578 1 1248 . 1 . 1 239 239 THR CA C 13 61.767 0.11 . 1 . . . . . 239 THR CA . 27578 1 1249 . 1 . 1 239 239 THR CB C 13 69.691 0.12 . 1 . . . . . 239 THR CB . 27578 1 1250 . 1 . 1 239 239 THR CG2 C 13 21.403 0.01 . 1 . . . . . 239 THR CG2 . 27578 1 1251 . 1 . 1 239 239 THR N N 15 115.931 0.06 . 1 . . . . . 239 THR N . 27578 1 1252 . 1 . 1 240 240 VAL H H 1 7.753 0.00 . 1 . . . . . 240 VAL H . 27578 1 1253 . 1 . 1 240 240 VAL HA H 1 4.056 0.00 . 1 . . . . . 240 VAL HA . 27578 1 1254 . 1 . 1 240 240 VAL HB H 1 2.067 0.00 . 1 . . . . . 240 VAL HB . 27578 1 1255 . 1 . 1 240 240 VAL HG11 H 1 0.884 0.00 . 2 . . . . . 240 VAL HG1* . 27578 1 1256 . 1 . 1 240 240 VAL HG12 H 1 0.884 0.00 . 2 . . . . . 240 VAL HG1* . 27578 1 1257 . 1 . 1 240 240 VAL HG13 H 1 0.884 0.00 . 2 . . . . . 240 VAL HG1* . 27578 1 1258 . 1 . 1 240 240 VAL C C 13 180.859 0.00 . 1 . . . . . 240 VAL C . 27578 1 1259 . 1 . 1 240 240 VAL CA C 13 63.510 0.16 . 1 . . . . . 240 VAL CA . 27578 1 1260 . 1 . 1 240 240 VAL CB C 13 32.993 0.10 . 1 . . . . . 240 VAL CB . 27578 1 1261 . 1 . 1 240 240 VAL CG1 C 13 20.796 0.01 . 2 . . . . . 240 VAL CG1 . 27578 1 1262 . 1 . 1 240 240 VAL N N 15 126.645 0.06 . 1 . . . . . 240 VAL N . 27578 1 stop_ save_