data_25891 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 25891 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1' . . 25891 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1' 25891 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 25888 'F1F2-DNA complex' . 25891 1 1 25889 'F1F2 free' . 25891 1 1 25890 'DNA free' . 25891 1 1 25891 'F1F2F3-DNA complex' . 25891 1 1 25892 'F1F2F3 free' . 25891 1 1 25893 'F3 free' . 25891 1 1 25894 'F1F2F3-WGR-DNA complex' . 25891 1 1 25895 'WGR free' . 25891 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25891 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for PARP-1 F1F2F3 domains in complex with a DNA single-strand break ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-08 _Entry.Accession_date 2015-10-14 _Entry.Last_release_date 2015-11-25 _Entry.Original_release_date 2015-11-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 David Neuhaus . . . . 25891 2 Sebastian Eustermann . . . . 25891 3 Ji-Chun Yang . . . . 25891 4 Wing-Fung Wu . . . . 25891 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25891 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN/DNA . 25891 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25891 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 25891 '15N chemical shifts' 335 25891 '1H chemical shifts' 335 25891 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2016-10-07 2015-11-11 update author 'update entry title, etc.' 25891 2 . . 2016-07-22 2015-11-11 update BMRB 'update entry citation' 25891 1 . . 2015-11-25 2015-11-11 original author 'original release' 25891 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25888 'F1F2-DNA complex' 25891 BMRB 25889 'F1F2 free' 25891 BMRB 25890 'DNA free' 25891 BMRB 25892 'F1F2F3 free' 25891 BMRB 25893 'F3 free' 25891 BMRB 25894 'F1F2F3-WGR-DNA complex' 25891 BMRB 25895 'WGR free' 25891 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25891 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.molcel.2015.10.032 _Citation.PubMed_ID 26626479 _Citation.Full_citation . _Citation.Title ; Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 742 _Citation.Page_last 754 _Citation.Year 2015 _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 Sebastian Eustermann . . . . 25891 1 2 Wing-Fung Wu . . . . 25891 1 3 Marie-France Langelier . . . . 25891 1 4 Ji-Chun Yang . . . . 25891 1 5 Laura Easton . E. . . 25891 1 6 Amanda Riccio . . . . 25891 1 7 John Pascal . M. . . 25891 1 8 David Neuhaus . . . . 25891 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_f1f2f3_dna_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_f1f2f3_dna_complex _Assembly.Entry_ID 25891 _Assembly.ID 1 _Assembly.Name PARP-1_F1F2F3-DNA_complex _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PARP-1_1-362 1 $PARP-1_1-362 A . yes native no no . . . 25891 1 2 'DNA (45-MER)' 3 $DNA_(45-MER) B . no native no no . . . 25891 1 3 ZN1 2 $entity_ZN A . no native no no . . . 25891 1 4 ZN2 2 $entity_ZN A . no native no no . . . 25891 1 5 ZN3 2 $entity_ZN A . no native no no . . . 25891 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 PARP-1_1-362 1 CYS 21 21 SG . 3 ZN1 2 ZN 1 1 ZN . PARP-1_1-362 21 CYS SG . ZN1 . . ZN 25891 1 2 'metal coordination' single . 1 PARP-1_1-362 1 CYS 24 24 SG . 3 ZN1 2 ZN 1 1 ZN . PARP-1_1-362 24 CYS SG . ZN1 . . ZN 25891 1 3 'metal coordination' single . 1 PARP-1_1-362 1 HIS 53 53 ND1 . 3 ZN1 2 ZN 1 1 ZN . PARP-1_1-362 53 HIS ND1 . ZN1 . . ZN 25891 1 4 'metal coordination' single . 1 PARP-1_1-362 1 CYS 56 56 SG . 3 ZN1 2 ZN 1 1 ZN . PARP-1_1-362 56 CYS SG . ZN1 . . ZN 25891 1 5 'metal coordination' single . 1 PARP-1_1-362 1 CYS 125 125 SG . 4 ZN2 2 ZN 1 1 ZN . PARP-1_1-362 125 CYS SG . ZN2 . . ZN 25891 1 6 'metal coordination' single . 1 PARP-1_1-362 1 CYS 128 128 SG . 4 ZN2 2 ZN 1 1 ZN . PARP-1_1-362 128 CYS SG . ZN2 . . ZN 25891 1 7 'metal coordination' single . 1 PARP-1_1-362 1 HIS 159 159 ND1 . 4 ZN2 2 ZN 1 1 ZN . PARP-1_1-362 159 HIS ND1 . ZN2 . . ZN 25891 1 8 'metal coordination' single . 1 PARP-1_1-362 1 CYS 162 162 SG . 4 ZN2 2 ZN 1 1 ZN . PARP-1_1-362 162 CYS SG . ZN2 . . ZN 25891 1 9 'metal coordination' single . 1 PARP-1_1-362 1 CYS 295 295 SG . 5 ZN3 2 ZN 1 1 ZN . PARP-1_1-362 295 CYS SG . ZN3 . . ZN 25891 1 10 'metal coordination' single . 1 PARP-1_1-362 1 CYS 298 298 SG . 5 ZN3 2 ZN 1 1 ZN . PARP-1_1-362 298 CYS SG . ZN3 . . ZN 25891 1 11 'metal coordination' single . 1 PARP-1_1-362 1 CYS 311 311 SG . 5 ZN3 2 ZN 1 1 ZN . PARP-1_1-362 311 CYS SG . ZN3 . . ZN 25891 1 12 'metal coordination' single . 1 PARP-1_1-362 1 CYS 321 321 SG . 5 ZN3 2 ZN 1 1 ZN . PARP-1_1-362 321 CYS SG . ZN3 . . ZN 25891 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PARP-1_1-362 _Entity.Sf_category entity _Entity.Sf_framecode PARP-1_1-362 _Entity.Entry_ID 25891 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PARP-1_1-362 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAESSDKLYRVEYAKSGRAS CKKCSESIPKDSLRMAIMVQ SPMFDGKVPHWYHFSCFWKV GHSIRHPDVEVDGFSELRWD DQQKVKKTAEAGGVTGKGQD GIGSKAEKTLGDFAAEYAKS NRSTCKGCMEKIEKGQVRLS KKMVDPEKPQLGMIDRWYHP GCFVKNREELGFRPEYSASQ LKGFSLLATEDKEALKKQLP GVKSEGKRKGDEVDGVDEVA KKKSKKEKDKDSKLEKALKA QNDLIWNIKDELKKVCSTND LKELLIFNKQQVPSGESAIL DRVADGMVFGALLPCEECSG QLVFKSDAYYCTGDVTAWTK CMVKTQTPNRKEWVTPKEFR EISYLKKLKVKKQDRIFPPE TS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 1 _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 362 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24106.734 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25891 1 2 2 ALA . 25891 1 3 3 GLU . 25891 1 4 4 SER . 25891 1 5 5 SER . 25891 1 6 6 ASP . 25891 1 7 7 LYS . 25891 1 8 8 LEU . 25891 1 9 9 TYR . 25891 1 10 10 ARG . 25891 1 11 11 VAL . 25891 1 12 12 GLU . 25891 1 13 13 TYR . 25891 1 14 14 ALA . 25891 1 15 15 LYS . 25891 1 16 16 SER . 25891 1 17 17 GLY . 25891 1 18 18 ARG . 25891 1 19 19 ALA . 25891 1 20 20 SER . 25891 1 21 21 CYS . 25891 1 22 22 LYS . 25891 1 23 23 LYS . 25891 1 24 24 CYS . 25891 1 25 25 SER . 25891 1 26 26 GLU . 25891 1 27 27 SER . 25891 1 28 28 ILE . 25891 1 29 29 PRO . 25891 1 30 30 LYS . 25891 1 31 31 ASP . 25891 1 32 32 SER . 25891 1 33 33 LEU . 25891 1 34 34 ARG . 25891 1 35 35 MET . 25891 1 36 36 ALA . 25891 1 37 37 ILE . 25891 1 38 38 MET . 25891 1 39 39 VAL . 25891 1 40 40 GLN . 25891 1 41 41 SER . 25891 1 42 42 PRO . 25891 1 43 43 MET . 25891 1 44 44 PHE . 25891 1 45 45 ASP . 25891 1 46 46 GLY . 25891 1 47 47 LYS . 25891 1 48 48 VAL . 25891 1 49 49 PRO . 25891 1 50 50 HIS . 25891 1 51 51 TRP . 25891 1 52 52 TYR . 25891 1 53 53 HIS . 25891 1 54 54 PHE . 25891 1 55 55 SER . 25891 1 56 56 CYS . 25891 1 57 57 PHE . 25891 1 58 58 TRP . 25891 1 59 59 LYS . 25891 1 60 60 VAL . 25891 1 61 61 GLY . 25891 1 62 62 HIS . 25891 1 63 63 SER . 25891 1 64 64 ILE . 25891 1 65 65 ARG . 25891 1 66 66 HIS . 25891 1 67 67 PRO . 25891 1 68 68 ASP . 25891 1 69 69 VAL . 25891 1 70 70 GLU . 25891 1 71 71 VAL . 25891 1 72 72 ASP . 25891 1 73 73 GLY . 25891 1 74 74 PHE . 25891 1 75 75 SER . 25891 1 76 76 GLU . 25891 1 77 77 LEU . 25891 1 78 78 ARG . 25891 1 79 79 TRP . 25891 1 80 80 ASP . 25891 1 81 81 ASP . 25891 1 82 82 GLN . 25891 1 83 83 GLN . 25891 1 84 84 LYS . 25891 1 85 85 VAL . 25891 1 86 86 LYS . 25891 1 87 87 LYS . 25891 1 88 88 THR . 25891 1 89 89 ALA . 25891 1 90 90 GLU . 25891 1 91 91 ALA . 25891 1 92 92 GLY . 25891 1 93 93 GLY . 25891 1 94 94 VAL . 25891 1 95 95 THR . 25891 1 96 96 GLY . 25891 1 97 97 LYS . 25891 1 98 98 GLY . 25891 1 99 99 GLN . 25891 1 100 100 ASP . 25891 1 101 101 GLY . 25891 1 102 102 ILE . 25891 1 103 103 GLY . 25891 1 104 104 SER . 25891 1 105 105 LYS . 25891 1 106 106 ALA . 25891 1 107 107 GLU . 25891 1 108 108 LYS . 25891 1 109 109 THR . 25891 1 110 110 LEU . 25891 1 111 111 GLY . 25891 1 112 112 ASP . 25891 1 113 113 PHE . 25891 1 114 114 ALA . 25891 1 115 115 ALA . 25891 1 116 116 GLU . 25891 1 117 117 TYR . 25891 1 118 118 ALA . 25891 1 119 119 LYS . 25891 1 120 120 SER . 25891 1 121 121 ASN . 25891 1 122 122 ARG . 25891 1 123 123 SER . 25891 1 124 124 THR . 25891 1 125 125 CYS . 25891 1 126 126 LYS . 25891 1 127 127 GLY . 25891 1 128 128 CYS . 25891 1 129 129 MET . 25891 1 130 130 GLU . 25891 1 131 131 LYS . 25891 1 132 132 ILE . 25891 1 133 133 GLU . 25891 1 134 134 LYS . 25891 1 135 135 GLY . 25891 1 136 136 GLN . 25891 1 137 137 VAL . 25891 1 138 138 ARG . 25891 1 139 139 LEU . 25891 1 140 140 SER . 25891 1 141 141 LYS . 25891 1 142 142 LYS . 25891 1 143 143 MET . 25891 1 144 144 VAL . 25891 1 145 145 ASP . 25891 1 146 146 PRO . 25891 1 147 147 GLU . 25891 1 148 148 LYS . 25891 1 149 149 PRO . 25891 1 150 150 GLN . 25891 1 151 151 LEU . 25891 1 152 152 GLY . 25891 1 153 153 MET . 25891 1 154 154 ILE . 25891 1 155 155 ASP . 25891 1 156 156 ARG . 25891 1 157 157 TRP . 25891 1 158 158 TYR . 25891 1 159 159 HIS . 25891 1 160 160 PRO . 25891 1 161 161 GLY . 25891 1 162 162 CYS . 25891 1 163 163 PHE . 25891 1 164 164 VAL . 25891 1 165 165 LYS . 25891 1 166 166 ASN . 25891 1 167 167 ARG . 25891 1 168 168 GLU . 25891 1 169 169 GLU . 25891 1 170 170 LEU . 25891 1 171 171 GLY . 25891 1 172 172 PHE . 25891 1 173 173 ARG . 25891 1 174 174 PRO . 25891 1 175 175 GLU . 25891 1 176 176 TYR . 25891 1 177 177 SER . 25891 1 178 178 ALA . 25891 1 179 179 SER . 25891 1 180 180 GLN . 25891 1 181 181 LEU . 25891 1 182 182 LYS . 25891 1 183 183 GLY . 25891 1 184 184 PHE . 25891 1 185 185 SER . 25891 1 186 186 LEU . 25891 1 187 187 LEU . 25891 1 188 188 ALA . 25891 1 189 189 THR . 25891 1 190 190 GLU . 25891 1 191 191 ASP . 25891 1 192 192 LYS . 25891 1 193 193 GLU . 25891 1 194 194 ALA . 25891 1 195 195 LEU . 25891 1 196 196 LYS . 25891 1 197 197 LYS . 25891 1 198 198 GLN . 25891 1 199 199 LEU . 25891 1 200 200 PRO . 25891 1 201 201 GLY . 25891 1 202 202 VAL . 25891 1 203 203 LYS . 25891 1 204 204 SER . 25891 1 205 205 GLU . 25891 1 206 206 GLY . 25891 1 207 207 LYS . 25891 1 208 208 ARG . 25891 1 209 209 LYS . 25891 1 210 210 GLY . 25891 1 211 211 ASP . 25891 1 212 212 GLU . 25891 1 213 213 VAL . 25891 1 214 214 ASP . 25891 1 215 215 GLY . 25891 1 216 216 VAL . 25891 1 217 217 ASP . 25891 1 218 218 GLU . 25891 1 219 219 VAL . 25891 1 220 220 ALA . 25891 1 221 221 LYS . 25891 1 222 222 LYS . 25891 1 223 223 LYS . 25891 1 224 224 SER . 25891 1 225 225 LYS . 25891 1 226 226 LYS . 25891 1 227 227 GLU . 25891 1 228 228 LYS . 25891 1 229 229 ASP . 25891 1 230 230 LYS . 25891 1 231 231 ASP . 25891 1 232 232 SER . 25891 1 233 233 LYS . 25891 1 234 234 LEU . 25891 1 235 235 GLU . 25891 1 236 236 LYS . 25891 1 237 237 ALA . 25891 1 238 238 LEU . 25891 1 239 239 LYS . 25891 1 240 240 ALA . 25891 1 241 241 GLN . 25891 1 242 242 ASN . 25891 1 243 243 ASP . 25891 1 244 244 LEU . 25891 1 245 245 ILE . 25891 1 246 246 TRP . 25891 1 247 247 ASN . 25891 1 248 248 ILE . 25891 1 249 249 LYS . 25891 1 250 250 ASP . 25891 1 251 251 GLU . 25891 1 252 252 LEU . 25891 1 253 253 LYS . 25891 1 254 254 LYS . 25891 1 255 255 VAL . 25891 1 256 256 CYS . 25891 1 257 257 SER . 25891 1 258 258 THR . 25891 1 259 259 ASN . 25891 1 260 260 ASP . 25891 1 261 261 LEU . 25891 1 262 262 LYS . 25891 1 263 263 GLU . 25891 1 264 264 LEU . 25891 1 265 265 LEU . 25891 1 266 266 ILE . 25891 1 267 267 PHE . 25891 1 268 268 ASN . 25891 1 269 269 LYS . 25891 1 270 270 GLN . 25891 1 271 271 GLN . 25891 1 272 272 VAL . 25891 1 273 273 PRO . 25891 1 274 274 SER . 25891 1 275 275 GLY . 25891 1 276 276 GLU . 25891 1 277 277 SER . 25891 1 278 278 ALA . 25891 1 279 279 ILE . 25891 1 280 280 LEU . 25891 1 281 281 ASP . 25891 1 282 282 ARG . 25891 1 283 283 VAL . 25891 1 284 284 ALA . 25891 1 285 285 ASP . 25891 1 286 286 GLY . 25891 1 287 287 MET . 25891 1 288 288 VAL . 25891 1 289 289 PHE . 25891 1 290 290 GLY . 25891 1 291 291 ALA . 25891 1 292 292 LEU . 25891 1 293 293 LEU . 25891 1 294 294 PRO . 25891 1 295 295 CYS . 25891 1 296 296 GLU . 25891 1 297 297 GLU . 25891 1 298 298 CYS . 25891 1 299 299 SER . 25891 1 300 300 GLY . 25891 1 301 301 GLN . 25891 1 302 302 LEU . 25891 1 303 303 VAL . 25891 1 304 304 PHE . 25891 1 305 305 LYS . 25891 1 306 306 SER . 25891 1 307 307 ASP . 25891 1 308 308 ALA . 25891 1 309 309 TYR . 25891 1 310 310 TYR . 25891 1 311 311 CYS . 25891 1 312 312 THR . 25891 1 313 313 GLY . 25891 1 314 314 ASP . 25891 1 315 315 VAL . 25891 1 316 316 THR . 25891 1 317 317 ALA . 25891 1 318 318 TRP . 25891 1 319 319 THR . 25891 1 320 320 LYS . 25891 1 321 321 CYS . 25891 1 322 322 MET . 25891 1 323 323 VAL . 25891 1 324 324 LYS . 25891 1 325 325 THR . 25891 1 326 326 GLN . 25891 1 327 327 THR . 25891 1 328 328 PRO . 25891 1 329 329 ASN . 25891 1 330 330 ARG . 25891 1 331 331 LYS . 25891 1 332 332 GLU . 25891 1 333 333 TRP . 25891 1 334 334 VAL . 25891 1 335 335 THR . 25891 1 336 336 PRO . 25891 1 337 337 LYS . 25891 1 338 338 GLU . 25891 1 339 339 PHE . 25891 1 340 340 ARG . 25891 1 341 341 GLU . 25891 1 342 342 ILE . 25891 1 343 343 SER . 25891 1 344 344 TYR . 25891 1 345 345 LEU . 25891 1 346 346 LYS . 25891 1 347 347 LYS . 25891 1 348 348 LEU . 25891 1 349 349 LYS . 25891 1 350 350 VAL . 25891 1 351 351 LYS . 25891 1 352 352 LYS . 25891 1 353 353 GLN . 25891 1 354 354 ASP . 25891 1 355 355 ARG . 25891 1 356 356 ILE . 25891 1 357 357 PHE . 25891 1 358 358 PRO . 25891 1 359 359 PRO . 25891 1 360 360 GLU . 25891 1 361 361 THR . 25891 1 362 362 SER . 25891 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 . MET 1 1 25891 1 . ALA 2 2 25891 1 . GLU 3 3 25891 1 . SER 4 4 25891 1 . SER 5 5 25891 1 . ASP 6 6 25891 1 . LYS 7 7 25891 1 . LEU 8 8 25891 1 . TYR 9 9 25891 1 . ARG 10 10 25891 1 . VAL 11 11 25891 1 . GLU 12 12 25891 1 . TYR 13 13 25891 1 . ALA 14 14 25891 1 . LYS 15 15 25891 1 . SER 16 16 25891 1 . GLY 17 17 25891 1 . ARG 18 18 25891 1 . ALA 19 19 25891 1 . SER 20 20 25891 1 . CYS 21 21 25891 1 . LYS 22 22 25891 1 . LYS 23 23 25891 1 . CYS 24 24 25891 1 . SER 25 25 25891 1 . GLU 26 26 25891 1 . SER 27 27 25891 1 . ILE 28 28 25891 1 . PRO 29 29 25891 1 . LYS 30 30 25891 1 . ASP 31 31 25891 1 . SER 32 32 25891 1 . LEU 33 33 25891 1 . ARG 34 34 25891 1 . MET 35 35 25891 1 . ALA 36 36 25891 1 . ILE 37 37 25891 1 . MET 38 38 25891 1 . VAL 39 39 25891 1 . GLN 40 40 25891 1 . SER 41 41 25891 1 . PRO 42 42 25891 1 . MET 43 43 25891 1 . PHE 44 44 25891 1 . ASP 45 45 25891 1 . GLY 46 46 25891 1 . LYS 47 47 25891 1 . VAL 48 48 25891 1 . PRO 49 49 25891 1 . HIS 50 50 25891 1 . TRP 51 51 25891 1 . TYR 52 52 25891 1 . HIS 53 53 25891 1 . PHE 54 54 25891 1 . SER 55 55 25891 1 . CYS 56 56 25891 1 . PHE 57 57 25891 1 . TRP 58 58 25891 1 . LYS 59 59 25891 1 . VAL 60 60 25891 1 . GLY 61 61 25891 1 . HIS 62 62 25891 1 . SER 63 63 25891 1 . ILE 64 64 25891 1 . ARG 65 65 25891 1 . HIS 66 66 25891 1 . PRO 67 67 25891 1 . ASP 68 68 25891 1 . VAL 69 69 25891 1 . GLU 70 70 25891 1 . VAL 71 71 25891 1 . ASP 72 72 25891 1 . GLY 73 73 25891 1 . PHE 74 74 25891 1 . SER 75 75 25891 1 . GLU 76 76 25891 1 . LEU 77 77 25891 1 . ARG 78 78 25891 1 . TRP 79 79 25891 1 . ASP 80 80 25891 1 . ASP 81 81 25891 1 . GLN 82 82 25891 1 . GLN 83 83 25891 1 . LYS 84 84 25891 1 . VAL 85 85 25891 1 . LYS 86 86 25891 1 . LYS 87 87 25891 1 . THR 88 88 25891 1 . ALA 89 89 25891 1 . GLU 90 90 25891 1 . ALA 91 91 25891 1 . GLY 92 92 25891 1 . GLY 93 93 25891 1 . VAL 94 94 25891 1 . THR 95 95 25891 1 . GLY 96 96 25891 1 . LYS 97 97 25891 1 . GLY 98 98 25891 1 . GLN 99 99 25891 1 . ASP 100 100 25891 1 . GLY 101 101 25891 1 . ILE 102 102 25891 1 . GLY 103 103 25891 1 . SER 104 104 25891 1 . LYS 105 105 25891 1 . ALA 106 106 25891 1 . GLU 107 107 25891 1 . LYS 108 108 25891 1 . THR 109 109 25891 1 . LEU 110 110 25891 1 . GLY 111 111 25891 1 . ASP 112 112 25891 1 . PHE 113 113 25891 1 . ALA 114 114 25891 1 . ALA 115 115 25891 1 . GLU 116 116 25891 1 . TYR 117 117 25891 1 . ALA 118 118 25891 1 . LYS 119 119 25891 1 . SER 120 120 25891 1 . ASN 121 121 25891 1 . ARG 122 122 25891 1 . SER 123 123 25891 1 . THR 124 124 25891 1 . CYS 125 125 25891 1 . LYS 126 126 25891 1 . GLY 127 127 25891 1 . CYS 128 128 25891 1 . MET 129 129 25891 1 . GLU 130 130 25891 1 . LYS 131 131 25891 1 . ILE 132 132 25891 1 . GLU 133 133 25891 1 . LYS 134 134 25891 1 . GLY 135 135 25891 1 . GLN 136 136 25891 1 . VAL 137 137 25891 1 . ARG 138 138 25891 1 . LEU 139 139 25891 1 . SER 140 140 25891 1 . LYS 141 141 25891 1 . LYS 142 142 25891 1 . MET 143 143 25891 1 . VAL 144 144 25891 1 . ASP 145 145 25891 1 . PRO 146 146 25891 1 . GLU 147 147 25891 1 . LYS 148 148 25891 1 . PRO 149 149 25891 1 . GLN 150 150 25891 1 . LEU 151 151 25891 1 . GLY 152 152 25891 1 . MET 153 153 25891 1 . ILE 154 154 25891 1 . ASP 155 155 25891 1 . ARG 156 156 25891 1 . TRP 157 157 25891 1 . TYR 158 158 25891 1 . HIS 159 159 25891 1 . PRO 160 160 25891 1 . GLY 161 161 25891 1 . CYS 162 162 25891 1 . PHE 163 163 25891 1 . VAL 164 164 25891 1 . LYS 165 165 25891 1 . ASN 166 166 25891 1 . ARG 167 167 25891 1 . GLU 168 168 25891 1 . GLU 169 169 25891 1 . LEU 170 170 25891 1 . GLY 171 171 25891 1 . PHE 172 172 25891 1 . ARG 173 173 25891 1 . PRO 174 174 25891 1 . GLU 175 175 25891 1 . TYR 176 176 25891 1 . SER 177 177 25891 1 . ALA 178 178 25891 1 . SER 179 179 25891 1 . GLN 180 180 25891 1 . LEU 181 181 25891 1 . LYS 182 182 25891 1 . GLY 183 183 25891 1 . PHE 184 184 25891 1 . SER 185 185 25891 1 . LEU 186 186 25891 1 . LEU 187 187 25891 1 . ALA 188 188 25891 1 . THR 189 189 25891 1 . GLU 190 190 25891 1 . ASP 191 191 25891 1 . LYS 192 192 25891 1 . GLU 193 193 25891 1 . ALA 194 194 25891 1 . LEU 195 195 25891 1 . LYS 196 196 25891 1 . LYS 197 197 25891 1 . GLN 198 198 25891 1 . LEU 199 199 25891 1 . PRO 200 200 25891 1 . GLY 201 201 25891 1 . VAL 202 202 25891 1 . LYS 203 203 25891 1 . SER 204 204 25891 1 . GLU 205 205 25891 1 . GLY 206 206 25891 1 . LYS 207 207 25891 1 . ARG 208 208 25891 1 . LYS 209 209 25891 1 . GLY 210 210 25891 1 . ASP 211 211 25891 1 . GLU 212 212 25891 1 . VAL 213 213 25891 1 . ASP 214 214 25891 1 . GLY 215 215 25891 1 . VAL 216 216 25891 1 . ASP 217 217 25891 1 . GLU 218 218 25891 1 . VAL 219 219 25891 1 . ALA 220 220 25891 1 . LYS 221 221 25891 1 . LYS 222 222 25891 1 . LYS 223 223 25891 1 . SER 224 224 25891 1 . LYS 225 225 25891 1 . LYS 226 226 25891 1 . GLU 227 227 25891 1 . LYS 228 228 25891 1 . ASP 229 229 25891 1 . LYS 230 230 25891 1 . ASP 231 231 25891 1 . SER 232 232 25891 1 . LYS 233 233 25891 1 . LEU 234 234 25891 1 . GLU 235 235 25891 1 . LYS 236 236 25891 1 . ALA 237 237 25891 1 . LEU 238 238 25891 1 . LYS 239 239 25891 1 . ALA 240 240 25891 1 . GLN 241 241 25891 1 . ASN 242 242 25891 1 . ASP 243 243 25891 1 . LEU 244 244 25891 1 . ILE 245 245 25891 1 . TRP 246 246 25891 1 . ASN 247 247 25891 1 . ILE 248 248 25891 1 . LYS 249 249 25891 1 . ASP 250 250 25891 1 . GLU 251 251 25891 1 . LEU 252 252 25891 1 . LYS 253 253 25891 1 . LYS 254 254 25891 1 . VAL 255 255 25891 1 . CYS 256 256 25891 1 . SER 257 257 25891 1 . THR 258 258 25891 1 . ASN 259 259 25891 1 . ASP 260 260 25891 1 . LEU 261 261 25891 1 . LYS 262 262 25891 1 . GLU 263 263 25891 1 . LEU 264 264 25891 1 . LEU 265 265 25891 1 . ILE 266 266 25891 1 . PHE 267 267 25891 1 . ASN 268 268 25891 1 . LYS 269 269 25891 1 . GLN 270 270 25891 1 . GLN 271 271 25891 1 . VAL 272 272 25891 1 . PRO 273 273 25891 1 . SER 274 274 25891 1 . GLY 275 275 25891 1 . GLU 276 276 25891 1 . SER 277 277 25891 1 . ALA 278 278 25891 1 . ILE 279 279 25891 1 . LEU 280 280 25891 1 . ASP 281 281 25891 1 . ARG 282 282 25891 1 . VAL 283 283 25891 1 . ALA 284 284 25891 1 . ASP 285 285 25891 1 . GLY 286 286 25891 1 . MET 287 287 25891 1 . VAL 288 288 25891 1 . PHE 289 289 25891 1 . GLY 290 290 25891 1 . ALA 291 291 25891 1 . LEU 292 292 25891 1 . LEU 293 293 25891 1 . PRO 294 294 25891 1 . CYS 295 295 25891 1 . GLU 296 296 25891 1 . GLU 297 297 25891 1 . CYS 298 298 25891 1 . SER 299 299 25891 1 . GLY 300 300 25891 1 . GLN 301 301 25891 1 . LEU 302 302 25891 1 . VAL 303 303 25891 1 . PHE 304 304 25891 1 . LYS 305 305 25891 1 . SER 306 306 25891 1 . ASP 307 307 25891 1 . ALA 308 308 25891 1 . TYR 309 309 25891 1 . TYR 310 310 25891 1 . CYS 311 311 25891 1 . THR 312 312 25891 1 . GLY 313 313 25891 1 . ASP 314 314 25891 1 . VAL 315 315 25891 1 . THR 316 316 25891 1 . ALA 317 317 25891 1 . TRP 318 318 25891 1 . THR 319 319 25891 1 . LYS 320 320 25891 1 . CYS 321 321 25891 1 . MET 322 322 25891 1 . VAL 323 323 25891 1 . LYS 324 324 25891 1 . THR 325 325 25891 1 . GLN 326 326 25891 1 . THR 327 327 25891 1 . PRO 328 328 25891 1 . ASN 329 329 25891 1 . ARG 330 330 25891 1 . LYS 331 331 25891 1 . GLU 332 332 25891 1 . TRP 333 333 25891 1 . VAL 334 334 25891 1 . THR 335 335 25891 1 . PRO 336 336 25891 1 . LYS 337 337 25891 1 . GLU 338 338 25891 1 . PHE 339 339 25891 1 . ARG 340 340 25891 1 . GLU 341 341 25891 1 . ILE 342 342 25891 1 . SER 343 343 25891 1 . TYR 344 344 25891 1 . LEU 345 345 25891 1 . LYS 346 346 25891 1 . LYS 347 347 25891 1 . LEU 348 348 25891 1 . LYS 349 349 25891 1 . VAL 350 350 25891 1 . LYS 351 351 25891 1 . LYS 352 352 25891 1 . GLN 353 353 25891 1 . ASP 354 354 25891 1 . ARG 355 355 25891 1 . ILE 356 356 25891 1 . PHE 357 357 25891 1 . PRO 358 358 25891 1 . PRO 359 359 25891 1 . GLU 360 360 25891 1 . THR 361 361 25891 1 . SER 362 362 25891 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25891 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25891 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25891 2 ZN 'Three letter code' 25891 2 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 1 ZN $chem_comp_ZN 25891 2 stop_ save_ save_DNA_(45-MER) _Entity.Sf_category entity _Entity.Sf_framecode DNA_(45-MER) _Entity.Entry_ID 25891 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name DNA_(45-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCTGGCTTCGTAAGAAGCCA GCTCGCGGTCAGCTTGCTGA CCGCG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13871.971 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DG . 25891 3 2 . DC . 25891 3 3 . DT . 25891 3 4 . DG . 25891 3 5 . DG . 25891 3 6 . DC . 25891 3 7 . DT . 25891 3 8 . DT . 25891 3 9 . DC . 25891 3 10 . DG . 25891 3 11 . DT . 25891 3 12 . DA . 25891 3 13 . DA . 25891 3 14 . DG . 25891 3 15 . DA . 25891 3 16 . DA . 25891 3 17 . DG . 25891 3 18 . DC . 25891 3 19 . DC . 25891 3 20 . DA . 25891 3 21 . DG . 25891 3 22 . DC . 25891 3 23 . DT . 25891 3 24 . DC . 25891 3 25 . DG . 25891 3 26 . DC . 25891 3 27 . DG . 25891 3 28 . DG . 25891 3 29 . DT . 25891 3 30 . DC . 25891 3 31 . DA . 25891 3 32 . DG . 25891 3 33 . DC . 25891 3 34 . DT . 25891 3 35 . DT . 25891 3 36 . DG . 25891 3 37 . DC . 25891 3 38 . DT . 25891 3 39 . DG . 25891 3 40 . DA . 25891 3 41 . DC . 25891 3 42 . DC . 25891 3 43 . DG . 25891 3 44 . DC . 25891 3 45 . DG . 25891 3 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 . DG 1 1 25891 3 . DC 2 2 25891 3 . DT 3 3 25891 3 . DG 4 4 25891 3 . DG 5 5 25891 3 . DC 6 6 25891 3 . DT 7 7 25891 3 . DT 8 8 25891 3 . DC 9 9 25891 3 . DG 10 10 25891 3 . DT 11 11 25891 3 . DA 12 12 25891 3 . DA 13 13 25891 3 . DG 14 14 25891 3 . DA 15 15 25891 3 . DA 16 16 25891 3 . DG 17 17 25891 3 . DC 18 18 25891 3 . DC 19 19 25891 3 . DA 20 20 25891 3 . DG 21 21 25891 3 . DC 22 22 25891 3 . DT 23 23 25891 3 . DC 24 24 25891 3 . DG 25 25 25891 3 . DC 26 26 25891 3 . DG 27 27 25891 3 . DG 28 28 25891 3 . DT 29 29 25891 3 . DC 30 30 25891 3 . DA 31 31 25891 3 . DG 32 32 25891 3 . DC 33 33 25891 3 . DT 34 34 25891 3 . DT 35 35 25891 3 . DG 36 36 25891 3 . DC 37 37 25891 3 . DT 38 38 25891 3 . DG 39 39 25891 3 . DA 40 40 25891 3 . DC 41 41 25891 3 . DC 42 42 25891 3 . DG 43 43 25891 3 . DC 44 44 25891 3 . DG 45 45 25891 3 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 25891 _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 $PARP-1_1-362 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25891 1 2 3 $DNA_(45-MER) . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25891 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 25891 _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 $PARP-1_1-362 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21 DE3 . . . . Pet13 . . . 25891 1 2 3 $DNA_(45-MER) . 'chemical synthesis' . . . . . . . . . . . . . . . . 25891 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25891 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25891 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25891 ZN [Zn++] SMILES CACTVS 3.341 25891 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25891 ZN [Zn+2] SMILES ACDLabs 10.04 25891 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25891 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25891 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25891 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25891 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25891 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25891 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; PARP-1 F1F2F3 DNA complex. F1F2F3 was sortase ligated (N.B. additional residues LPETGG inserted between residues 214 and 215; this sample was not used for making any assignments of residues in this region, which is in the flexible linker between domains). Labelling for residues 1-214 (and LPET of insertion): uniform [2H,15N,13C] Labelling for residues 215-362 (and GG of insertion): natural abundance ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PARP-1_1-362 '[U-13C; U-15N; U-2H]-1_214, [natural abundance]-215_362' . . 1 $PARP-1_1-362 . protein 0.2 . . mM . . . . 25891 1 2 'DNA (45-MER)' 'natural abundance' . . 3 $DNA_(45-MER) . DNA 0.2 . . mM . . . . 25891 1 3 TRIS [U-2H] . . . . . buffer 50 . . mM . . . . 25891 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 25891 1 5 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25891 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25891 1 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25891 1 8 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25891 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25891 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; PARP-1 F1F2F3 DNA complex. F1F2F3 was sortase ligated (N.B. additional residues LPETGG inserted between residues 214 and 215; this sample was not used for making any assignments of residues in this region, which is in the flexible linker between domains). Labelling for residues 1-214 (and LPET of insertion): natural abundance Labelling for residues 215-362 (and GG of insertion): uniform [2H,15N,13C] ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PARP-1_1-362 '[natural abundance]-1_214, [U-13C; U-15N; U-2H]-215_362' . . 1 $PARP-1_1-362 . protein 0.2 . . mM . . . . 25891 2 2 'DNA (45-MER)' 'natural abundance' . . 3 $DNA_(45-MER) . DNA 0.2 . . mM . . . . 25891 2 3 TRIS [U-2H] . . . . . buffer 50 . . mM . . . . 25891 2 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 25891 2 5 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25891 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25891 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25891 2 8 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25891 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25891 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; PARP-1 F1F2F3 DNA complex. F1F2F3 15N,13C,2H labelled ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PARP-1_1-362 '[U-13C; U-15N; U-2H]' . . 1 $PARP-1_1-362 . protein 0.2 . . mM . . . . 25891 3 2 'DNA (45-MER)' 'natural abundance' . . 3 $DNA_(45-MER) . DNA 0.2 . . mM . . . . 25891 3 3 TRIS [U-2H] . . . . . buffer 50 . . mM . . . . 25891 3 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 25891 3 5 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25891 3 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25891 3 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25891 3 8 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25891 3 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 25891 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 25891 1 pH 7.2 . pH 25891 1 pressure 1 . atm 25891 1 temperature 303 . K 25891 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25891 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25891 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25891 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25891 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25891 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25891 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25891 _Software.ID 3 _Software.Name Analysis _Software.Version 2.4.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25891 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25891 3 'data analysis' 25891 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25891 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25891 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25891 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av800 _NMR_spectrometer.Entry_ID 25891 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance I' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_av700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av700 _NMR_spectrometer.Entry_ID 25891 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_dmx600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode dmx600 _NMR_spectrometer.Entry_ID 25891 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_drx500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode drx500 _NMR_spectrometer.Entry_ID 25891 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25891 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 av800 Bruker 'Avance I' . 800 . . . 25891 1 2 av700 Bruker 'Avance II+' . 700 . . . 25891 1 3 dmx600 Bruker DMX . 600 . . . 25891 1 4 drx500 Bruker DRX . 500 . . . 25891 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 25891 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25891 1 2 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25891 1 3 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25891 1 4 '3D TROSY-HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25891 1 5 '2D 1H-15N TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25891 1 6 '3D TROSY-HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25891 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 25891 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 25891 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 25891 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 25891 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_bound_F1F2F3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode bound_F1F2F3 _Assigned_chem_shift_list.Entry_ID 25891 _Assigned_chem_shift_list.ID 1 _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 ; All amide group chemical shifts derived from TROSY data have been corrected by adding [1J(NH)]/2 in the 1H dimension and subtracting [1J(NH)]/2 in the 15N dimension ; _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 TROSY' 1 $sample_1 isotropic 25891 1 2 '3D TROSY-HNCA' 1 $sample_1 isotropic 25891 1 3 '2D 1H-15N TROSY' 2 $sample_2 isotropic 25891 1 4 '3D TROSY-HNCA' 2 $sample_2 isotropic 25891 1 5 '2D 1H-15N TROSY' 3 $sample_3 isotropic 25891 1 6 '3D TROSY-HNCA' 3 $sample_3 isotropic 25891 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 SER H H 1 8.555 0.02 . 1 . . . . 4 SER HN . 25891 1 2 . 1 1 4 4 SER CA C 13 57.949 0.1 . 1 . . . . 4 SER CA . 25891 1 3 . 1 1 4 4 SER N N 15 117.202 0.1 . 1 . . . . 4 SER N . 25891 1 4 . 1 1 5 5 SER H H 1 8.388 0.02 . 1 . . . . 5 SER HN . 25891 1 5 . 1 1 5 5 SER CA C 13 57.914 0.1 . 1 . . . . 5 SER CA . 25891 1 6 . 1 1 5 5 SER N N 15 117.212 0.1 . 1 . . . . 5 SER N . 25891 1 7 . 1 1 6 6 ASP H H 1 8.329 0.02 . 1 . . . . 6 ASP HN . 25891 1 8 . 1 1 6 6 ASP CA C 13 53.844 0.1 . 1 . . . . 6 ASP CA . 25891 1 9 . 1 1 6 6 ASP N N 15 122.439 0.1 . 1 . . . . 6 ASP N . 25891 1 10 . 1 1 7 7 LYS H H 1 8.183 0.02 . 1 . . . . 7 LYS HN . 25891 1 11 . 1 1 7 7 LYS CA C 13 55.938 0.1 . 1 . . . . 7 LYS CA . 25891 1 12 . 1 1 7 7 LYS N N 15 120.669 0.1 . 1 . . . . 7 LYS N . 25891 1 13 . 1 1 8 8 LEU H H 1 8.816 0.02 . 1 . . . . 8 LEU HN . 25891 1 14 . 1 1 8 8 LEU CA C 13 55.525 0.1 . 1 . . . . 8 LEU CA . 25891 1 15 . 1 1 8 8 LEU N N 15 123.303 0.1 . 1 . . . . 8 LEU N . 25891 1 16 . 1 1 9 9 TYR H H 1 6.708 0.02 . 1 . . . . 9 TYR HN . 25891 1 17 . 1 1 9 9 TYR CA C 13 54.001 0.1 . 1 . . . . 9 TYR CA . 25891 1 18 . 1 1 9 9 TYR N N 15 110.342 0.1 . 1 . . . . 9 TYR N . 25891 1 19 . 1 1 10 10 ARG H H 1 8.419 0.02 . 1 . . . . 10 ARG HN . 25891 1 20 . 1 1 10 10 ARG CA C 13 54.215 0.1 . 1 . . . . 10 ARG CA . 25891 1 21 . 1 1 10 10 ARG N N 15 120.814 0.1 . 1 . . . . 10 ARG N . 25891 1 22 . 1 1 11 11 VAL H H 1 8.866 0.02 . 1 . . . . 11 VAL HN . 25891 1 23 . 1 1 11 11 VAL CA C 13 58.111 0.1 . 1 . . . . 11 VAL CA . 25891 1 24 . 1 1 11 11 VAL N N 15 122.750 0.1 . 1 . . . . 11 VAL N . 25891 1 25 . 1 1 12 12 GLU H H 1 8.414 0.02 . 1 . . . . 12 GLU HN . 25891 1 26 . 1 1 12 12 GLU CA C 13 54.227 0.1 . 1 . . . . 12 GLU CA . 25891 1 27 . 1 1 12 12 GLU N N 15 119.229 0.1 . 1 . . . . 12 GLU N . 25891 1 28 . 1 1 13 13 TYR H H 1 7.858 0.02 . 1 . . . . 13 TYR HN . 25891 1 29 . 1 1 13 13 TYR CA C 13 56.807 0.1 . 1 . . . . 13 TYR CA . 25891 1 30 . 1 1 13 13 TYR N N 15 118.377 0.1 . 1 . . . . 13 TYR N . 25891 1 31 . 1 1 14 14 ALA H H 1 9.485 0.02 . 1 . . . . 14 ALA HN . 25891 1 32 . 1 1 14 14 ALA CA C 13 53.803 0.1 . 1 . . . . 14 ALA CA . 25891 1 33 . 1 1 14 14 ALA N N 15 125.768 0.1 . 1 . . . . 14 ALA N . 25891 1 34 . 1 1 15 15 LYS H H 1 6.691 0.02 . 1 . . . . 15 LYS HN . 25891 1 35 . 1 1 15 15 LYS CA C 13 58.195 0.1 . 1 . . . . 15 LYS CA . 25891 1 36 . 1 1 15 15 LYS N N 15 121.742 0.1 . 1 . . . . 15 LYS N . 25891 1 37 . 1 1 16 16 SER H H 1 7.739 0.02 . 1 . . . . 16 SER HN . 25891 1 38 . 1 1 16 16 SER CA C 13 56.491 0.1 . 1 . . . . 16 SER CA . 25891 1 39 . 1 1 16 16 SER N N 15 112.938 0.1 . 1 . . . . 16 SER N . 25891 1 40 . 1 1 17 17 GLY H H 1 9.133 0.02 . 1 . . . . 17 GLY HN . 25891 1 41 . 1 1 17 17 GLY CA C 13 45.073 0.1 . 1 . . . . 17 GLY CA . 25891 1 42 . 1 1 17 17 GLY N N 15 109.183 0.1 . 1 . . . . 17 GLY N . 25891 1 43 . 1 1 18 18 ARG H H 1 8.495 0.02 . 1 . . . . 18 ARG HN . 25891 1 44 . 1 1 18 18 ARG CA C 13 56.104 0.1 . 1 . . . . 18 ARG CA . 25891 1 45 . 1 1 18 18 ARG N N 15 115.264 0.1 . 1 . . . . 18 ARG N . 25891 1 46 . 1 1 19 19 ALA H H 1 8.835 0.02 . 1 . . . . 19 ALA HN . 25891 1 47 . 1 1 19 19 ALA CA C 13 51.734 0.1 . 1 . . . . 19 ALA CA . 25891 1 48 . 1 1 19 19 ALA N N 15 124.048 0.1 . 1 . . . . 19 ALA N . 25891 1 49 . 1 1 20 20 SER H H 1 8.627 0.02 . 1 . . . . 20 SER HN . 25891 1 50 . 1 1 20 20 SER CA C 13 56.706 0.1 . 1 . . . . 20 SER CA . 25891 1 51 . 1 1 20 20 SER N N 15 116.694 0.1 . 1 . . . . 20 SER N . 25891 1 52 . 1 1 21 21 CYS H H 1 8.073 0.02 . 1 . . . . 21 CYS HN . 25891 1 53 . 1 1 21 21 CYS CA C 13 57.597 0.1 . 1 . . . . 21 CYS CA . 25891 1 54 . 1 1 21 21 CYS N N 15 125.456 0.1 . 1 . . . . 21 CYS N . 25891 1 55 . 1 1 22 22 LYS H H 1 8.613 0.02 . 1 . . . . 22 LYS HN . 25891 1 56 . 1 1 22 22 LYS CA C 13 56.016 0.1 . 1 . . . . 22 LYS CA . 25891 1 57 . 1 1 22 22 LYS N N 15 128.613 0.1 . 1 . . . . 22 LYS N . 25891 1 58 . 1 1 23 23 LYS H H 1 8.958 0.02 . 1 . . . . 23 LYS HN . 25891 1 59 . 1 1 23 23 LYS CA C 13 57.237 0.1 . 1 . . . . 23 LYS CA . 25891 1 60 . 1 1 23 23 LYS N N 15 121.338 0.1 . 1 . . . . 23 LYS N . 25891 1 61 . 1 1 24 24 CYS H H 1 8.173 0.02 . 1 . . . . 24 CYS HN . 25891 1 62 . 1 1 24 24 CYS CA C 13 58.743 0.1 . 1 . . . . 24 CYS CA . 25891 1 63 . 1 1 24 24 CYS N N 15 116.915 0.1 . 1 . . . . 24 CYS N . 25891 1 64 . 1 1 25 25 SER H H 1 8.094 0.02 . 1 . . . . 25 SER HN . 25891 1 65 . 1 1 25 25 SER CA C 13 60.903 0.1 . 1 . . . . 25 SER CA . 25891 1 66 . 1 1 25 25 SER N N 15 116.232 0.1 . 1 . . . . 25 SER N . 25891 1 67 . 1 1 26 26 GLU H H 1 8.287 0.02 . 1 . . . . 26 GLU HN . 25891 1 68 . 1 1 26 26 GLU CA C 13 55.072 0.1 . 1 . . . . 26 GLU CA . 25891 1 69 . 1 1 26 26 GLU N N 15 120.872 0.1 . 1 . . . . 26 GLU N . 25891 1 70 . 1 1 27 27 SER H H 1 8.779 0.02 . 1 . . . . 27 SER HN . 25891 1 71 . 1 1 27 27 SER CA C 13 58.795 0.1 . 1 . . . . 27 SER CA . 25891 1 72 . 1 1 27 27 SER N N 15 116.319 0.1 . 1 . . . . 27 SER N . 25891 1 73 . 1 1 28 28 ILE H H 1 8.438 0.02 . 1 . . . . 28 ILE HN . 25891 1 74 . 1 1 28 28 ILE CA C 13 58.142 0.1 . 1 . . . . 28 ILE CA . 25891 1 75 . 1 1 28 28 ILE N N 15 126.696 0.1 . 1 . . . . 28 ILE N . 25891 1 76 . 1 1 29 29 PRO CA C 13 62.588 0.1 . 1 . . . . 29 PRO CA . 25891 1 77 . 1 1 30 30 LYS H H 1 8.743 0.02 . 1 . . . . 30 LYS HN . 25891 1 78 . 1 1 30 30 LYS CA C 13 58.245 0.1 . 1 . . . . 30 LYS CA . 25891 1 79 . 1 1 30 30 LYS N N 15 125.128 0.1 . 1 . . . . 30 LYS N . 25891 1 80 . 1 1 31 31 ASP H H 1 9.154 0.02 . 1 . . . . 31 ASP HN . 25891 1 81 . 1 1 31 31 ASP CA C 13 57.474 0.1 . 1 . . . . 31 ASP CA . 25891 1 82 . 1 1 31 31 ASP N N 15 119.975 0.1 . 1 . . . . 31 ASP N . 25891 1 83 . 1 1 32 32 SER H H 1 7.926 0.02 . 1 . . . . 32 SER HN . 25891 1 84 . 1 1 32 32 SER CA C 13 58.397 0.1 . 1 . . . . 32 SER CA . 25891 1 85 . 1 1 32 32 SER N N 15 115.753 0.1 . 1 . . . . 32 SER N . 25891 1 86 . 1 1 33 33 LEU H H 1 8.872 0.02 . 1 . . . . 33 LEU HN . 25891 1 87 . 1 1 33 33 LEU CA C 13 55.806 0.1 . 1 . . . . 33 LEU CA . 25891 1 88 . 1 1 33 33 LEU N N 15 123.376 0.1 . 1 . . . . 33 LEU N . 25891 1 89 . 1 1 34 34 ARG H H 1 9.063 0.02 . 1 . . . . 34 ARG HN . 25891 1 90 . 1 1 34 34 ARG CA C 13 53.563 0.1 . 1 . . . . 34 ARG CA . 25891 1 91 . 1 1 34 34 ARG N N 15 124.446 0.1 . 1 . . . . 34 ARG N . 25891 1 92 . 1 1 35 35 MET H H 1 8.493 0.02 . 1 . . . . 35 MET HN . 25891 1 93 . 1 1 35 35 MET CA C 13 52.883 0.1 . 1 . . . . 35 MET CA . 25891 1 94 . 1 1 35 35 MET N N 15 118.563 0.1 . 1 . . . . 35 MET N . 25891 1 95 . 1 1 36 36 ALA H H 1 9.445 0.02 . 1 . . . . 36 ALA HN . 25891 1 96 . 1 1 36 36 ALA CA C 13 49.362 0.1 . 1 . . . . 36 ALA CA . 25891 1 97 . 1 1 36 36 ALA N N 15 123.325 0.1 . 1 . . . . 36 ALA N . 25891 1 98 . 1 1 37 37 ILE H H 1 7.861 0.02 . 1 . . . . 37 ILE HN . 25891 1 99 . 1 1 37 37 ILE CA C 13 59.614 0.1 . 1 . . . . 37 ILE CA . 25891 1 100 . 1 1 37 37 ILE N N 15 116.240 0.1 . 1 . . . . 37 ILE N . 25891 1 101 . 1 1 38 38 MET H H 1 8.250 0.02 . 1 . . . . 38 MET HN . 25891 1 102 . 1 1 38 38 MET CA C 13 52.215 0.1 . 1 . . . . 38 MET CA . 25891 1 103 . 1 1 38 38 MET N N 15 124.895 0.1 . 1 . . . . 38 MET N . 25891 1 104 . 1 1 39 39 VAL H H 1 8.474 0.02 . 1 . . . . 39 VAL HN . 25891 1 105 . 1 1 39 39 VAL CA C 13 59.384 0.1 . 1 . . . . 39 VAL CA . 25891 1 106 . 1 1 39 39 VAL N N 15 121.436 0.1 . 1 . . . . 39 VAL N . 25891 1 107 . 1 1 40 40 GLN H H 1 8.443 0.02 . 1 . . . . 40 GLN HN . 25891 1 108 . 1 1 40 40 GLN CA C 13 55.673 0.1 . 1 . . . . 40 GLN CA . 25891 1 109 . 1 1 40 40 GLN N N 15 123.953 0.1 . 1 . . . . 40 GLN N . 25891 1 110 . 1 1 43 43 MET H H 1 8.080 0.02 . 1 . . . . 43 MET HN . 25891 1 111 . 1 1 43 43 MET CA C 13 55.573 0.1 . 1 . . . . 43 MET CA . 25891 1 112 . 1 1 43 43 MET N N 15 116.189 0.1 . 1 . . . . 43 MET N . 25891 1 113 . 1 1 44 44 PHE H H 1 7.050 0.02 . 1 . . . . 44 PHE HN . 25891 1 114 . 1 1 44 44 PHE CA C 13 54.795 0.1 . 1 . . . . 44 PHE CA . 25891 1 115 . 1 1 44 44 PHE N N 15 115.285 0.1 . 1 . . . . 44 PHE N . 25891 1 116 . 1 1 45 45 ASP H H 1 8.442 0.02 . 1 . . . . 45 ASP HN . 25891 1 117 . 1 1 45 45 ASP CA C 13 53.185 0.1 . 1 . . . . 45 ASP CA . 25891 1 118 . 1 1 45 45 ASP N N 15 118.908 0.1 . 1 . . . . 45 ASP N . 25891 1 119 . 1 1 46 46 GLY H H 1 7.433 0.02 . 1 . . . . 46 GLY HN . 25891 1 120 . 1 1 46 46 GLY CA C 13 44.231 0.1 . 1 . . . . 46 GLY CA . 25891 1 121 . 1 1 46 46 GLY N N 15 111.060 0.1 . 1 . . . . 46 GLY N . 25891 1 122 . 1 1 47 47 LYS H H 1 8.083 0.02 . 1 . . . . 47 LYS HN . 25891 1 123 . 1 1 47 47 LYS CA C 13 54.099 0.1 . 1 . . . . 47 LYS CA . 25891 1 124 . 1 1 47 47 LYS N N 15 116.970 0.1 . 1 . . . . 47 LYS N . 25891 1 125 . 1 1 48 48 VAL H H 1 8.955 0.02 . 1 . . . . 48 VAL HN . 25891 1 126 . 1 1 48 48 VAL CA C 13 56.692 0.1 . 1 . . . . 48 VAL CA . 25891 1 127 . 1 1 48 48 VAL N N 15 116.672 0.1 . 1 . . . . 48 VAL N . 25891 1 128 . 1 1 49 49 PRO CA C 13 61.629 0.1 . 1 . . . . 49 PRO CA . 25891 1 129 . 1 1 50 50 HIS H H 1 8.754 0.02 . 1 . . . . 50 HIS HN . 25891 1 130 . 1 1 50 50 HIS CA C 13 54.460 0.1 . 1 . . . . 50 HIS CA . 25891 1 131 . 1 1 50 50 HIS N N 15 125.438 0.1 . 1 . . . . 50 HIS N . 25891 1 132 . 1 1 51 51 TRP H H 1 8.657 0.02 . 1 . . . . 51 TRP HN . 25891 1 133 . 1 1 51 51 TRP HE1 H 1 10.563 0.02 . 1 . . . . 51 TRP HE1 . 25891 1 134 . 1 1 51 51 TRP CA C 13 56.989 0.1 . 1 . . . . 51 TRP CA . 25891 1 135 . 1 1 51 51 TRP N N 15 121.077 0.1 . 1 . . . . 51 TRP N . 25891 1 136 . 1 1 51 51 TRP NE1 N 15 130.112 0.1 . 1 . . . . 51 TRP NE1 . 25891 1 137 . 1 1 52 52 TYR H H 1 9.359 0.02 . 1 . . . . 52 TYR HN . 25891 1 138 . 1 1 52 52 TYR CA C 13 56.049 0.1 . 1 . . . . 52 TYR CA . 25891 1 139 . 1 1 52 52 TYR N N 15 114.144 0.1 . 1 . . . . 52 TYR N . 25891 1 140 . 1 1 53 53 HIS H H 1 8.820 0.02 . 1 . . . . 53 HIS HN . 25891 1 141 . 1 1 53 53 HIS CA C 13 59.627 0.1 . 1 . . . . 53 HIS CA . 25891 1 142 . 1 1 53 53 HIS N N 15 118.720 0.1 . 1 . . . . 53 HIS N . 25891 1 143 . 1 1 54 54 PHE H H 1 8.573 0.02 . 1 . . . . 54 PHE HN . 25891 1 144 . 1 1 54 54 PHE CA C 13 63.474 0.1 . 1 . . . . 54 PHE CA . 25891 1 145 . 1 1 54 54 PHE N N 15 123.112 0.1 . 1 . . . . 54 PHE N . 25891 1 146 . 1 1 55 55 SER H H 1 9.201 0.02 . 1 . . . . 55 SER HN . 25891 1 147 . 1 1 55 55 SER CA C 13 61.163 0.1 . 1 . . . . 55 SER CA . 25891 1 148 . 1 1 55 55 SER N N 15 109.027 0.1 . 1 . . . . 55 SER N . 25891 1 149 . 1 1 56 56 CYS H H 1 7.025 0.02 . 1 . . . . 56 CYS HN . 25891 1 150 . 1 1 56 56 CYS CA C 13 62.858 0.1 . 1 . . . . 56 CYS CA . 25891 1 151 . 1 1 56 56 CYS N N 15 119.610 0.1 . 1 . . . . 56 CYS N . 25891 1 152 . 1 1 57 57 PHE H H 1 8.035 0.02 . 1 . . . . 57 PHE HN . 25891 1 153 . 1 1 57 57 PHE CA C 13 60.983 0.1 . 1 . . . . 57 PHE CA . 25891 1 154 . 1 1 57 57 PHE N N 15 117.719 0.1 . 1 . . . . 57 PHE N . 25891 1 155 . 1 1 58 58 TRP H H 1 6.516 0.02 . 1 . . . . 58 TRP HN . 25891 1 156 . 1 1 58 58 TRP CA C 13 56.535 0.1 . 1 . . . . 58 TRP CA . 25891 1 157 . 1 1 58 58 TRP N N 15 114.695 0.1 . 1 . . . . 58 TRP N . 25891 1 158 . 1 1 59 59 LYS H H 1 7.573 0.02 . 1 . . . . 59 LYS HN . 25891 1 159 . 1 1 59 59 LYS CA C 13 56.587 0.1 . 1 . . . . 59 LYS CA . 25891 1 160 . 1 1 59 59 LYS N N 15 117.426 0.1 . 1 . . . . 59 LYS N . 25891 1 161 . 1 1 60 60 VAL H H 1 7.083 0.02 . 1 . . . . 60 VAL HN . 25891 1 162 . 1 1 60 60 VAL CA C 13 61.936 0.1 . 1 . . . . 60 VAL CA . 25891 1 163 . 1 1 60 60 VAL N N 15 114.495 0.1 . 1 . . . . 60 VAL N . 25891 1 164 . 1 1 61 61 GLY H H 1 7.425 0.02 . 1 . . . . 61 GLY HN . 25891 1 165 . 1 1 61 61 GLY CA C 13 45.145 0.1 . 1 . . . . 61 GLY CA . 25891 1 166 . 1 1 61 61 GLY N N 15 105.653 0.1 . 1 . . . . 61 GLY N . 25891 1 167 . 1 1 62 62 HIS H H 1 7.290 0.02 . 1 . . . . 62 HIS HN . 25891 1 168 . 1 1 62 62 HIS CA C 13 55.887 0.1 . 1 . . . . 62 HIS CA . 25891 1 169 . 1 1 62 62 HIS N N 15 119.311 0.1 . 1 . . . . 62 HIS N . 25891 1 170 . 1 1 63 63 SER H H 1 8.408 0.02 . 1 . . . . 63 SER HN . 25891 1 171 . 1 1 63 63 SER CA C 13 56.863 0.1 . 1 . . . . 63 SER CA . 25891 1 172 . 1 1 63 63 SER N N 15 116.869 0.1 . 1 . . . . 63 SER N . 25891 1 173 . 1 1 64 64 ILE H H 1 8.779 0.02 . 1 . . . . 64 ILE HN . 25891 1 174 . 1 1 64 64 ILE CA C 13 60.159 0.1 . 1 . . . . 64 ILE CA . 25891 1 175 . 1 1 64 64 ILE N N 15 125.648 0.1 . 1 . . . . 64 ILE N . 25891 1 176 . 1 1 65 65 ARG H H 1 8.999 0.02 . 1 . . . . 65 ARG HN . 25891 1 177 . 1 1 65 65 ARG CA C 13 56.947 0.1 . 1 . . . . 65 ARG CA . 25891 1 178 . 1 1 65 65 ARG N N 15 126.711 0.1 . 1 . . . . 65 ARG N . 25891 1 179 . 1 1 66 66 HIS H H 1 8.803 0.02 . 1 . . . . 66 HIS HN . 25891 1 180 . 1 1 66 66 HIS CA C 13 51.984 0.1 . 1 . . . . 66 HIS CA . 25891 1 181 . 1 1 66 66 HIS N N 15 116.275 0.1 . 1 . . . . 66 HIS N . 25891 1 182 . 1 1 67 67 PRO CA C 13 65.160 0.1 . 1 . . . . 67 PRO CA . 25891 1 183 . 1 1 68 68 ASP H H 1 8.530 0.02 . 1 . . . . 68 ASP HN . 25891 1 184 . 1 1 68 68 ASP CA C 13 54.998 0.1 . 1 . . . . 68 ASP CA . 25891 1 185 . 1 1 68 68 ASP N N 15 110.963 0.1 . 1 . . . . 68 ASP N . 25891 1 186 . 1 1 69 69 VAL H H 1 7.169 0.02 . 1 . . . . 69 VAL HN . 25891 1 187 . 1 1 69 69 VAL CA C 13 62.322 0.1 . 1 . . . . 69 VAL CA . 25891 1 188 . 1 1 69 69 VAL N N 15 114.767 0.1 . 1 . . . . 69 VAL N . 25891 1 189 . 1 1 70 70 GLU H H 1 7.901 0.02 . 1 . . . . 70 GLU HN . 25891 1 190 . 1 1 70 70 GLU CA C 13 57.501 0.1 . 1 . . . . 70 GLU CA . 25891 1 191 . 1 1 70 70 GLU N N 15 115.783 0.1 . 1 . . . . 70 GLU N . 25891 1 192 . 1 1 71 71 VAL H H 1 7.860 0.02 . 1 . . . . 71 VAL HN . 25891 1 193 . 1 1 71 71 VAL CA C 13 60.241 0.1 . 1 . . . . 71 VAL CA . 25891 1 194 . 1 1 71 71 VAL N N 15 116.886 0.1 . 1 . . . . 71 VAL N . 25891 1 195 . 1 1 72 72 ASP H H 1 9.053 0.02 . 1 . . . . 72 ASP HN . 25891 1 196 . 1 1 72 72 ASP CA C 13 55.700 0.1 . 1 . . . . 72 ASP CA . 25891 1 197 . 1 1 72 72 ASP N N 15 131.527 0.1 . 1 . . . . 72 ASP N . 25891 1 198 . 1 1 73 73 GLY H H 1 8.713 0.02 . 1 . . . . 73 GLY HN . 25891 1 199 . 1 1 73 73 GLY CA C 13 44.906 0.1 . 1 . . . . 73 GLY CA . 25891 1 200 . 1 1 73 73 GLY N N 15 113.131 0.1 . 1 . . . . 73 GLY N . 25891 1 201 . 1 1 74 74 PHE H H 1 7.659 0.02 . 1 . . . . 74 PHE HN . 25891 1 202 . 1 1 74 74 PHE CA C 13 62.226 0.1 . 1 . . . . 74 PHE CA . 25891 1 203 . 1 1 74 74 PHE N N 15 122.723 0.1 . 1 . . . . 74 PHE N . 25891 1 204 . 1 1 75 75 SER H H 1 8.716 0.02 . 1 . . . . 75 SER HN . 25891 1 205 . 1 1 75 75 SER CA C 13 60.109 0.1 . 1 . . . . 75 SER CA . 25891 1 206 . 1 1 75 75 SER N N 15 109.160 0.1 . 1 . . . . 75 SER N . 25891 1 207 . 1 1 76 76 GLU H H 1 7.437 0.02 . 1 . . . . 76 GLU HN . 25891 1 208 . 1 1 76 76 GLU CA C 13 56.061 0.1 . 1 . . . . 76 GLU CA . 25891 1 209 . 1 1 76 76 GLU N N 15 118.196 0.1 . 1 . . . . 76 GLU N . 25891 1 210 . 1 1 77 77 LEU H H 1 7.091 0.02 . 1 . . . . 77 LEU HN . 25891 1 211 . 1 1 77 77 LEU CA C 13 53.862 0.1 . 1 . . . . 77 LEU CA . 25891 1 212 . 1 1 77 77 LEU N N 15 118.230 0.1 . 1 . . . . 77 LEU N . 25891 1 213 . 1 1 78 78 ARG H H 1 8.621 0.02 . 1 . . . . 78 ARG HN . 25891 1 214 . 1 1 78 78 ARG CA C 13 57.104 0.1 . 1 . . . . 78 ARG CA . 25891 1 215 . 1 1 78 78 ARG N N 15 120.344 0.1 . 1 . . . . 78 ARG N . 25891 1 216 . 1 1 79 79 TRP HE1 H 1 10.187 0.02 . 1 . . . . 79 TRP HE1 . 25891 1 217 . 1 1 79 79 TRP CA C 13 61.667 0.1 . 1 . . . . 79 TRP CA . 25891 1 218 . 1 1 79 79 TRP NE1 N 15 129.593 0.1 . 1 . . . . 79 TRP NE1 . 25891 1 219 . 1 1 80 80 ASP H H 1 9.119 0.02 . 1 . . . . 80 ASP HN . 25891 1 220 . 1 1 80 80 ASP CA C 13 56.894 0.1 . 1 . . . . 80 ASP CA . 25891 1 221 . 1 1 80 80 ASP N N 15 115.322 0.1 . 1 . . . . 80 ASP N . 25891 1 222 . 1 1 81 81 ASP H H 1 7.216 0.02 . 1 . . . . 81 ASP HN . 25891 1 223 . 1 1 81 81 ASP CA C 13 56.526 0.1 . 1 . . . . 81 ASP CA . 25891 1 224 . 1 1 81 81 ASP N N 15 119.432 0.1 . 1 . . . . 81 ASP N . 25891 1 225 . 1 1 82 82 GLN H H 1 8.103 0.02 . 1 . . . . 82 GLN HN . 25891 1 226 . 1 1 82 82 GLN CA C 13 59.367 0.1 . 1 . . . . 82 GLN CA . 25891 1 227 . 1 1 82 82 GLN N N 15 121.291 0.1 . 1 . . . . 82 GLN N . 25891 1 228 . 1 1 83 83 GLN H H 1 7.622 0.02 . 1 . . . . 83 GLN HN . 25891 1 229 . 1 1 83 83 GLN CA C 13 57.527 0.1 . 1 . . . . 83 GLN CA . 25891 1 230 . 1 1 83 83 GLN N N 15 115.002 0.1 . 1 . . . . 83 GLN N . 25891 1 231 . 1 1 84 84 LYS H H 1 7.614 0.02 . 1 . . . . 84 LYS HN . 25891 1 232 . 1 1 84 84 LYS CA C 13 59.346 0.1 . 1 . . . . 84 LYS CA . 25891 1 233 . 1 1 84 84 LYS N N 15 120.215 0.1 . 1 . . . . 84 LYS N . 25891 1 234 . 1 1 85 85 VAL H H 1 8.498 0.02 . 1 . . . . 85 VAL HN . 25891 1 235 . 1 1 85 85 VAL CA C 13 67.224 0.1 . 1 . . . . 85 VAL CA . 25891 1 236 . 1 1 85 85 VAL N N 15 121.182 0.1 . 1 . . . . 85 VAL N . 25891 1 237 . 1 1 86 86 LYS H H 1 8.295 0.02 . 1 . . . . 86 LYS HN . 25891 1 238 . 1 1 86 86 LYS CA C 13 60.311 0.1 . 1 . . . . 86 LYS CA . 25891 1 239 . 1 1 86 86 LYS N N 15 118.247 0.1 . 1 . . . . 86 LYS N . 25891 1 240 . 1 1 87 87 LYS H H 1 8.681 0.02 . 1 . . . . 87 LYS HN . 25891 1 241 . 1 1 87 87 LYS CA C 13 58.520 0.1 . 1 . . . . 87 LYS CA . 25891 1 242 . 1 1 87 87 LYS N N 15 117.571 0.1 . 1 . . . . 87 LYS N . 25891 1 243 . 1 1 88 88 THR H H 1 7.869 0.02 . 1 . . . . 88 THR HN . 25891 1 244 . 1 1 88 88 THR CA C 13 66.112 0.1 . 1 . . . . 88 THR CA . 25891 1 245 . 1 1 88 88 THR N N 15 116.165 0.1 . 1 . . . . 88 THR N . 25891 1 246 . 1 1 89 89 ALA H H 1 7.880 0.02 . 1 . . . . 89 ALA HN . 25891 1 247 . 1 1 89 89 ALA CA C 13 54.216 0.1 . 1 . . . . 89 ALA CA . 25891 1 248 . 1 1 89 89 ALA N N 15 123.091 0.1 . 1 . . . . 89 ALA N . 25891 1 249 . 1 1 90 90 GLU H H 1 7.722 0.02 . 1 . . . . 90 GLU HN . 25891 1 250 . 1 1 90 90 GLU CA C 13 57.817 0.1 . 1 . . . . 90 GLU CA . 25891 1 251 . 1 1 90 90 GLU N N 15 116.678 0.1 . 1 . . . . 90 GLU N . 25891 1 252 . 1 1 91 91 ALA H H 1 7.498 0.02 . 1 . . . . 91 ALA HN . 25891 1 253 . 1 1 91 91 ALA CA C 13 52.555 0.1 . 1 . . . . 91 ALA CA . 25891 1 254 . 1 1 91 91 ALA N N 15 120.577 0.1 . 1 . . . . 91 ALA N . 25891 1 255 . 1 1 92 92 GLY H H 1 7.928 0.02 . 1 . . . . 92 GLY HN . 25891 1 256 . 1 1 92 92 GLY CA C 13 45.213 0.1 . 1 . . . . 92 GLY CA . 25891 1 257 . 1 1 92 92 GLY N N 15 106.531 0.1 . 1 . . . . 92 GLY N . 25891 1 258 . 1 1 93 93 GLY H H 1 7.890 0.02 . 1 . . . . 93 GLY HN . 25891 1 259 . 1 1 93 93 GLY CA C 13 44.511 0.1 . 1 . . . . 93 GLY CA . 25891 1 260 . 1 1 93 93 GLY N N 15 106.896 0.1 . 1 . . . . 93 GLY N . 25891 1 261 . 1 1 94 94 VAL H H 1 7.859 0.02 . 1 . . . . 94 VAL HN . 25891 1 262 . 1 1 94 94 VAL CA C 13 61.927 0.1 . 1 . . . . 94 VAL CA . 25891 1 263 . 1 1 94 94 VAL N N 15 118.154 0.1 . 1 . . . . 94 VAL N . 25891 1 264 . 1 1 95 95 THR H H 1 8.187 0.02 . 1 . . . . 95 THR HN . 25891 1 265 . 1 1 95 95 THR CA C 13 61.515 0.1 . 1 . . . . 95 THR CA . 25891 1 266 . 1 1 95 95 THR N N 15 117.045 0.1 . 1 . . . . 95 THR N . 25891 1 267 . 1 1 96 96 GLY H H 1 8.363 0.02 . 1 . . . . 96 GLY HN . 25891 1 268 . 1 1 96 96 GLY CA C 13 44.923 0.1 . 1 . . . . 96 GLY CA . 25891 1 269 . 1 1 96 96 GLY N N 15 110.960 0.1 . 1 . . . . 96 GLY N . 25891 1 270 . 1 1 97 97 LYS H H 1 8.273 0.02 . 1 . . . . 97 LYS HN . 25891 1 271 . 1 1 97 97 LYS CA C 13 55.955 0.1 . 1 . . . . 97 LYS CA . 25891 1 272 . 1 1 97 97 LYS N N 15 120.858 0.1 . 1 . . . . 97 LYS N . 25891 1 273 . 1 1 98 98 GLY H H 1 8.523 0.02 . 1 . . . . 98 GLY HN . 25891 1 274 . 1 1 98 98 GLY CA C 13 45.005 0.1 . 1 . . . . 98 GLY CA . 25891 1 275 . 1 1 98 98 GLY N N 15 110.049 0.1 . 1 . . . . 98 GLY N . 25891 1 276 . 1 1 99 99 GLN H H 1 8.322 0.02 . 1 . . . . 99 GLN HN . 25891 1 277 . 1 1 99 99 GLN CA C 13 55.547 0.1 . 1 . . . . 99 GLN CA . 25891 1 278 . 1 1 99 99 GLN N N 15 119.874 0.1 . 1 . . . . 99 GLN N . 25891 1 279 . 1 1 100 100 ASP H H 1 8.398 0.02 . 1 . . . . 100 ASP HN . 25891 1 280 . 1 1 100 100 ASP CA C 13 54.305 0.1 . 1 . . . . 100 ASP CA . 25891 1 281 . 1 1 100 100 ASP N N 15 120.781 0.1 . 1 . . . . 100 ASP N . 25891 1 282 . 1 1 101 101 GLY H H 1 8.291 0.02 . 1 . . . . 101 GLY HN . 25891 1 283 . 1 1 101 101 GLY CA C 13 45.090 0.1 . 1 . . . . 101 GLY CA . 25891 1 284 . 1 1 101 101 GLY N N 15 108.697 0.1 . 1 . . . . 101 GLY N . 25891 1 285 . 1 1 102 102 ILE H H 1 8.021 0.02 . 1 . . . . 102 ILE HN . 25891 1 286 . 1 1 102 102 ILE CA C 13 61.163 0.1 . 1 . . . . 102 ILE CA . 25891 1 287 . 1 1 102 102 ILE N N 15 119.933 0.1 . 1 . . . . 102 ILE N . 25891 1 288 . 1 1 103 103 GLY H H 1 8.554 0.02 . 1 . . . . 103 GLY HN . 25891 1 289 . 1 1 103 103 GLY CA C 13 44.985 0.1 . 1 . . . . 103 GLY CA . 25891 1 290 . 1 1 103 103 GLY N N 15 112.366 0.1 . 1 . . . . 103 GLY N . 25891 1 291 . 1 1 105 105 LYS CA C 13 56.156 0.1 . 1 . . . . 105 LYS CA . 25891 1 292 . 1 1 106 106 ALA H H 1 8.176 0.02 . 1 . . . . 106 ALA HN . 25891 1 293 . 1 1 106 106 ALA CA C 13 52.278 0.1 . 1 . . . . 106 ALA CA . 25891 1 294 . 1 1 106 106 ALA N N 15 124.091 0.1 . 1 . . . . 106 ALA N . 25891 1 295 . 1 1 107 107 GLU H H 1 8.256 0.02 . 1 . . . . 107 GLU HN . 25891 1 296 . 1 1 107 107 GLU CA C 13 55.819 0.1 . 1 . . . . 107 GLU CA . 25891 1 297 . 1 1 107 107 GLU N N 15 119.395 0.1 . 1 . . . . 107 GLU N . 25891 1 298 . 1 1 108 108 LYS H H 1 8.561 0.02 . 1 . . . . 108 LYS HN . 25891 1 299 . 1 1 108 108 LYS CA C 13 56.117 0.1 . 1 . . . . 108 LYS CA . 25891 1 300 . 1 1 108 108 LYS N N 15 123.490 0.1 . 1 . . . . 108 LYS N . 25891 1 301 . 1 1 109 109 THR H H 1 8.065 0.02 . 1 . . . . 109 THR HN . 25891 1 302 . 1 1 109 109 THR CA C 13 62.134 0.1 . 1 . . . . 109 THR CA . 25891 1 303 . 1 1 109 109 THR N N 15 115.913 0.1 . 1 . . . . 109 THR N . 25891 1 304 . 1 1 110 110 LEU H H 1 8.946 0.02 . 1 . . . . 110 LEU HN . 25891 1 305 . 1 1 110 110 LEU CA C 13 54.281 0.1 . 1 . . . . 110 LEU CA . 25891 1 306 . 1 1 110 110 LEU N N 15 127.178 0.1 . 1 . . . . 110 LEU N . 25891 1 307 . 1 1 111 111 GLY H H 1 8.439 0.02 . 1 . . . . 111 GLY HN . 25891 1 308 . 1 1 111 111 GLY CA C 13 45.721 0.1 . 1 . . . . 111 GLY CA . 25891 1 309 . 1 1 111 111 GLY N N 15 106.958 0.1 . 1 . . . . 111 GLY N . 25891 1 310 . 1 1 112 112 ASP H H 1 8.712 0.02 . 1 . . . . 112 ASP HN . 25891 1 311 . 1 1 112 112 ASP CA C 13 53.477 0.1 . 1 . . . . 112 ASP CA . 25891 1 312 . 1 1 112 112 ASP N N 15 115.683 0.1 . 1 . . . . 112 ASP N . 25891 1 313 . 1 1 113 113 PHE H H 1 7.280 0.02 . 1 . . . . 113 PHE HN . 25891 1 314 . 1 1 113 113 PHE CA C 13 56.174 0.1 . 1 . . . . 113 PHE CA . 25891 1 315 . 1 1 113 113 PHE N N 15 116.049 0.1 . 1 . . . . 113 PHE N . 25891 1 316 . 1 1 114 114 ALA H H 1 8.391 0.02 . 1 . . . . 114 ALA HN . 25891 1 317 . 1 1 114 114 ALA CA C 13 50.527 0.1 . 1 . . . . 114 ALA CA . 25891 1 318 . 1 1 114 114 ALA N N 15 123.430 0.1 . 1 . . . . 114 ALA N . 25891 1 319 . 1 1 115 115 ALA H H 1 8.624 0.02 . 1 . . . . 115 ALA HN . 25891 1 320 . 1 1 115 115 ALA CA C 13 50.132 0.1 . 1 . . . . 115 ALA CA . 25891 1 321 . 1 1 115 115 ALA N N 15 118.412 0.1 . 1 . . . . 115 ALA N . 25891 1 322 . 1 1 116 116 GLU H H 1 8.718 0.02 . 1 . . . . 116 GLU HN . 25891 1 323 . 1 1 116 116 GLU CA C 13 54.322 0.1 . 1 . . . . 116 GLU CA . 25891 1 324 . 1 1 116 116 GLU N N 15 114.776 0.1 . 1 . . . . 116 GLU N . 25891 1 325 . 1 1 117 117 TYR H H 1 7.933 0.02 . 1 . . . . 117 TYR HN . 25891 1 326 . 1 1 117 117 TYR CA C 13 57.668 0.1 . 1 . . . . 117 TYR CA . 25891 1 327 . 1 1 117 117 TYR N N 15 117.274 0.1 . 1 . . . . 117 TYR N . 25891 1 328 . 1 1 118 118 ALA H H 1 9.303 0.02 . 1 . . . . 118 ALA HN . 25891 1 329 . 1 1 118 118 ALA CA C 13 53.329 0.1 . 1 . . . . 118 ALA CA . 25891 1 330 . 1 1 118 118 ALA N N 15 124.672 0.1 . 1 . . . . 118 ALA N . 25891 1 331 . 1 1 119 119 LYS H H 1 6.714 0.02 . 1 . . . . 119 LYS HN . 25891 1 332 . 1 1 119 119 LYS CA C 13 57.922 0.1 . 1 . . . . 119 LYS CA . 25891 1 333 . 1 1 119 119 LYS N N 15 121.733 0.1 . 1 . . . . 119 LYS N . 25891 1 334 . 1 1 120 120 SER H H 1 7.573 0.02 . 1 . . . . 120 SER HN . 25891 1 335 . 1 1 120 120 SER CA C 13 56.930 0.1 . 1 . . . . 120 SER CA . 25891 1 336 . 1 1 120 120 SER N N 15 112.396 0.1 . 1 . . . . 120 SER N . 25891 1 337 . 1 1 122 122 ARG H H 1 8.689 0.02 . 1 . . . . 122 ARG HN . 25891 1 338 . 1 1 122 122 ARG CA C 13 56.403 0.1 . 1 . . . . 122 ARG CA . 25891 1 339 . 1 1 122 122 ARG N N 15 115.139 0.1 . 1 . . . . 122 ARG N . 25891 1 340 . 1 1 123 123 SER CA C 13 57.631 0.1 . 1 . . . . 123 SER CA . 25891 1 341 . 1 1 124 124 THR H H 1 8.722 0.02 . 1 . . . . 124 THR HN . 25891 1 342 . 1 1 124 124 THR CA C 13 61.550 0.1 . 1 . . . . 124 THR CA . 25891 1 343 . 1 1 124 124 THR N N 15 118.469 0.1 . 1 . . . . 124 THR N . 25891 1 344 . 1 1 125 125 CYS H H 1 8.347 0.02 . 1 . . . . 125 CYS HN . 25891 1 345 . 1 1 125 125 CYS CA C 13 57.132 0.1 . 1 . . . . 125 CYS CA . 25891 1 346 . 1 1 125 125 CYS N N 15 126.620 0.1 . 1 . . . . 125 CYS N . 25891 1 347 . 1 1 126 126 LYS H H 1 8.665 0.02 . 1 . . . . 126 LYS HN . 25891 1 348 . 1 1 126 126 LYS CA C 13 55.111 0.1 . 1 . . . . 126 LYS CA . 25891 1 349 . 1 1 126 126 LYS N N 15 128.606 0.1 . 1 . . . . 126 LYS N . 25891 1 350 . 1 1 127 127 GLY H H 1 9.147 0.02 . 1 . . . . 127 GLY HN . 25891 1 351 . 1 1 127 127 GLY CA C 13 45.555 0.1 . 1 . . . . 127 GLY CA . 25891 1 352 . 1 1 127 127 GLY N N 15 111.465 0.1 . 1 . . . . 127 GLY N . 25891 1 353 . 1 1 128 128 CYS H H 1 8.128 0.02 . 1 . . . . 128 CYS HN . 25891 1 354 . 1 1 128 128 CYS CA C 13 58.115 0.1 . 1 . . . . 128 CYS CA . 25891 1 355 . 1 1 128 128 CYS N N 15 119.555 0.1 . 1 . . . . 128 CYS N . 25891 1 356 . 1 1 129 129 MET H H 1 8.171 0.02 . 1 . . . . 129 MET HN . 25891 1 357 . 1 1 129 129 MET CA C 13 56.508 0.1 . 1 . . . . 129 MET CA . 25891 1 358 . 1 1 129 129 MET N N 15 117.503 0.1 . 1 . . . . 129 MET N . 25891 1 359 . 1 1 130 130 GLU H H 1 8.341 0.02 . 1 . . . . 130 GLU HN . 25891 1 360 . 1 1 130 130 GLU CA C 13 54.514 0.1 . 1 . . . . 130 GLU CA . 25891 1 361 . 1 1 130 130 GLU N N 15 119.140 0.1 . 1 . . . . 130 GLU N . 25891 1 362 . 1 1 131 131 LYS H H 1 8.671 0.02 . 1 . . . . 131 LYS HN . 25891 1 363 . 1 1 131 131 LYS CA C 13 56.043 0.1 . 1 . . . . 131 LYS CA . 25891 1 364 . 1 1 131 131 LYS N N 15 119.615 0.1 . 1 . . . . 131 LYS N . 25891 1 365 . 1 1 132 132 ILE H H 1 8.124 0.02 . 1 . . . . 132 ILE HN . 25891 1 366 . 1 1 132 132 ILE CA C 13 60.329 0.1 . 1 . . . . 132 ILE CA . 25891 1 367 . 1 1 132 132 ILE N N 15 124.220 0.1 . 1 . . . . 132 ILE N . 25891 1 368 . 1 1 133 133 GLU H H 1 8.787 0.02 . 1 . . . . 133 GLU HN . 25891 1 369 . 1 1 133 133 GLU CA C 13 56.201 0.1 . 1 . . . . 133 GLU CA . 25891 1 370 . 1 1 133 133 GLU N N 15 128.950 0.1 . 1 . . . . 133 GLU N . 25891 1 371 . 1 1 134 134 LYS H H 1 8.318 0.02 . 1 . . . . 134 LYS HN . 25891 1 372 . 1 1 134 134 LYS CA C 13 57.992 0.1 . 1 . . . . 134 LYS CA . 25891 1 373 . 1 1 134 134 LYS N N 15 122.273 0.1 . 1 . . . . 134 LYS N . 25891 1 374 . 1 1 135 135 GLY H H 1 8.835 0.02 . 1 . . . . 135 GLY HN . 25891 1 375 . 1 1 135 135 GLY CA C 13 44.792 0.1 . 1 . . . . 135 GLY CA . 25891 1 376 . 1 1 135 135 GLY N N 15 113.766 0.1 . 1 . . . . 135 GLY N . 25891 1 377 . 1 1 136 136 GLN H H 1 7.674 0.02 . 1 . . . . 136 GLN HN . 25891 1 378 . 1 1 136 136 GLN CA C 13 54.541 0.1 . 1 . . . . 136 GLN CA . 25891 1 379 . 1 1 136 136 GLN N N 15 118.350 0.1 . 1 . . . . 136 GLN N . 25891 1 380 . 1 1 137 137 VAL H H 1 8.894 0.02 . 1 . . . . 137 VAL HN . 25891 1 381 . 1 1 137 137 VAL CA C 13 64.088 0.1 . 1 . . . . 137 VAL CA . 25891 1 382 . 1 1 137 137 VAL N N 15 122.722 0.1 . 1 . . . . 137 VAL N . 25891 1 383 . 1 1 138 138 ARG H H 1 8.927 0.02 . 1 . . . . 138 ARG HN . 25891 1 384 . 1 1 138 138 ARG CA C 13 53.241 0.1 . 1 . . . . 138 ARG CA . 25891 1 385 . 1 1 138 138 ARG N N 15 121.415 0.1 . 1 . . . . 138 ARG N . 25891 1 386 . 1 1 139 139 LEU H H 1 9.091 0.02 . 1 . . . . 139 LEU HN . 25891 1 387 . 1 1 139 139 LEU CA C 13 52.468 0.1 . 1 . . . . 139 LEU CA . 25891 1 388 . 1 1 139 139 LEU N N 15 121.491 0.1 . 1 . . . . 139 LEU N . 25891 1 389 . 1 1 140 140 SER H H 1 9.301 0.02 . 1 . . . . 140 SER HN . 25891 1 390 . 1 1 140 140 SER CA C 13 54.427 0.1 . 1 . . . . 140 SER CA . 25891 1 391 . 1 1 140 140 SER N N 15 115.868 0.1 . 1 . . . . 140 SER N . 25891 1 392 . 1 1 141 141 LYS H H 1 7.843 0.02 . 1 . . . . 141 LYS HN . 25891 1 393 . 1 1 141 141 LYS CA C 13 54.787 0.1 . 1 . . . . 141 LYS CA . 25891 1 394 . 1 1 141 141 LYS N N 15 118.779 0.1 . 1 . . . . 141 LYS N . 25891 1 395 . 1 1 142 142 LYS H H 1 8.109 0.02 . 1 . . . . 142 LYS HN . 25891 1 396 . 1 1 142 142 LYS CA C 13 54.523 0.1 . 1 . . . . 142 LYS CA . 25891 1 397 . 1 1 142 142 LYS N N 15 126.527 0.1 . 1 . . . . 142 LYS N . 25891 1 398 . 1 1 143 143 MET H H 1 8.806 0.02 . 1 . . . . 143 MET HN . 25891 1 399 . 1 1 143 143 MET CA C 13 54.810 0.1 . 1 . . . . 143 MET CA . 25891 1 400 . 1 1 143 143 MET N N 15 119.832 0.1 . 1 . . . . 143 MET N . 25891 1 401 . 1 1 144 144 VAL H H 1 8.261 0.02 . 1 . . . . 144 VAL HN . 25891 1 402 . 1 1 144 144 VAL CA C 13 61.735 0.1 . 1 . . . . 144 VAL CA . 25891 1 403 . 1 1 144 144 VAL N N 15 122.305 0.1 . 1 . . . . 144 VAL N . 25891 1 404 . 1 1 145 145 ASP H H 1 9.857 0.02 . 1 . . . . 145 ASP HN . 25891 1 405 . 1 1 145 145 ASP CA C 13 50.465 0.1 . 1 . . . . 145 ASP CA . 25891 1 406 . 1 1 145 145 ASP N N 15 131.705 0.1 . 1 . . . . 145 ASP N . 25891 1 407 . 1 1 146 146 PRO CA C 13 63.728 0.1 . 1 . . . . 146 PRO CA . 25891 1 408 . 1 1 147 147 GLU H H 1 8.354 0.02 . 1 . . . . 147 GLU HN . 25891 1 409 . 1 1 147 147 GLU CA C 13 56.640 0.1 . 1 . . . . 147 GLU CA . 25891 1 410 . 1 1 147 147 GLU N N 15 115.410 0.1 . 1 . . . . 147 GLU N . 25891 1 411 . 1 1 148 148 LYS H H 1 7.695 0.02 . 1 . . . . 148 LYS HN . 25891 1 412 . 1 1 148 148 LYS CA C 13 53.083 0.1 . 1 . . . . 148 LYS CA . 25891 1 413 . 1 1 148 148 LYS N N 15 117.972 0.1 . 1 . . . . 148 LYS N . 25891 1 414 . 1 1 149 149 PRO CA C 13 64.482 0.1 . 1 . . . . 149 PRO CA . 25891 1 415 . 1 1 150 150 GLN H H 1 9.391 0.02 . 1 . . . . 150 GLN HN . 25891 1 416 . 1 1 150 150 GLN CA C 13 56.868 0.1 . 1 . . . . 150 GLN CA . 25891 1 417 . 1 1 150 150 GLN N N 15 119.502 0.1 . 1 . . . . 150 GLN N . 25891 1 418 . 1 1 151 151 LEU H H 1 7.184 0.02 . 1 . . . . 151 LEU HN . 25891 1 419 . 1 1 151 151 LEU CA C 13 54.459 0.1 . 1 . . . . 151 LEU CA . 25891 1 420 . 1 1 151 151 LEU N N 15 117.668 0.1 . 1 . . . . 151 LEU N . 25891 1 421 . 1 1 152 152 GLY H H 1 7.484 0.02 . 1 . . . . 152 GLY HN . 25891 1 422 . 1 1 152 152 GLY CA C 13 44.233 0.1 . 1 . . . . 152 GLY CA . 25891 1 423 . 1 1 152 152 GLY N N 15 103.976 0.1 . 1 . . . . 152 GLY N . 25891 1 424 . 1 1 153 153 MET H H 1 8.281 0.02 . 1 . . . . 153 MET HN . 25891 1 425 . 1 1 153 153 MET CA C 13 55.660 0.1 . 1 . . . . 153 MET CA . 25891 1 426 . 1 1 153 153 MET N N 15 119.898 0.1 . 1 . . . . 153 MET N . 25891 1 427 . 1 1 154 154 ILE H H 1 8.197 0.02 . 1 . . . . 154 ILE HN . 25891 1 428 . 1 1 154 154 ILE CA C 13 58.864 0.1 . 1 . . . . 154 ILE CA . 25891 1 429 . 1 1 154 154 ILE N N 15 121.488 0.1 . 1 . . . . 154 ILE N . 25891 1 430 . 1 1 155 155 ASP H H 1 8.175 0.02 . 1 . . . . 155 ASP HN . 25891 1 431 . 1 1 155 155 ASP CA C 13 55.764 0.1 . 1 . . . . 155 ASP CA . 25891 1 432 . 1 1 155 155 ASP N N 15 119.176 0.1 . 1 . . . . 155 ASP N . 25891 1 433 . 1 1 156 156 ARG H H 1 7.840 0.02 . 1 . . . . 156 ARG HN . 25891 1 434 . 1 1 156 156 ARG CA C 13 54.620 0.1 . 1 . . . . 156 ARG CA . 25891 1 435 . 1 1 156 156 ARG N N 15 123.712 0.1 . 1 . . . . 156 ARG N . 25891 1 436 . 1 1 157 157 TRP H H 1 8.560 0.02 . 1 . . . . 157 TRP HN . 25891 1 437 . 1 1 157 157 TRP CA C 13 56.745 0.1 . 1 . . . . 157 TRP CA . 25891 1 438 . 1 1 157 157 TRP N N 15 122.247 0.1 . 1 . . . . 157 TRP N . 25891 1 439 . 1 1 158 158 TYR H H 1 9.786 0.02 . 1 . . . . 158 TYR HN . 25891 1 440 . 1 1 158 158 TYR CA C 13 56.324 0.1 . 1 . . . . 158 TYR CA . 25891 1 441 . 1 1 158 158 TYR N N 15 114.458 0.1 . 1 . . . . 158 TYR N . 25891 1 442 . 1 1 159 159 HIS H H 1 9.510 0.02 . 1 . . . . 159 HIS HN . 25891 1 443 . 1 1 159 159 HIS CA C 13 57.316 0.1 . 1 . . . . 159 HIS CA . 25891 1 444 . 1 1 159 159 HIS N N 15 120.626 0.1 . 1 . . . . 159 HIS N . 25891 1 445 . 1 1 160 160 PRO CA C 13 66.556 0.1 . 1 . . . . 160 PRO CA . 25891 1 446 . 1 1 161 161 GLY H H 1 9.270 0.02 . 1 . . . . 161 GLY HN . 25891 1 447 . 1 1 161 161 GLY CA C 13 46.495 0.1 . 1 . . . . 161 GLY CA . 25891 1 448 . 1 1 161 161 GLY N N 15 102.582 0.1 . 1 . . . . 161 GLY N . 25891 1 449 . 1 1 162 162 CYS H H 1 7.201 0.02 . 1 . . . . 162 CYS HN . 25891 1 450 . 1 1 162 162 CYS CA C 13 62.068 0.1 . 1 . . . . 162 CYS CA . 25891 1 451 . 1 1 162 162 CYS N N 15 122.146 0.1 . 1 . . . . 162 CYS N . 25891 1 452 . 1 1 163 163 PHE H H 1 8.684 0.02 . 1 . . . . 163 PHE HN . 25891 1 453 . 1 1 163 163 PHE CA C 13 60.847 0.1 . 1 . . . . 163 PHE CA . 25891 1 454 . 1 1 163 163 PHE N N 15 123.982 0.1 . 1 . . . . 163 PHE N . 25891 1 455 . 1 1 164 164 VAL H H 1 8.255 0.02 . 1 . . . . 164 VAL HN . 25891 1 456 . 1 1 164 164 VAL CA C 13 66.724 0.1 . 1 . . . . 164 VAL CA . 25891 1 457 . 1 1 164 164 VAL N N 15 115.864 0.1 . 1 . . . . 164 VAL N . 25891 1 458 . 1 1 165 165 LYS H H 1 7.527 0.02 . 1 . . . . 165 LYS HN . 25891 1 459 . 1 1 165 165 LYS CA C 13 58.721 0.1 . 1 . . . . 165 LYS CA . 25891 1 460 . 1 1 165 165 LYS N N 15 118.406 0.1 . 1 . . . . 165 LYS N . 25891 1 461 . 1 1 166 166 ASN H H 1 7.200 0.02 . 1 . . . . 166 ASN HN . 25891 1 462 . 1 1 166 166 ASN CA C 13 52.617 0.1 . 1 . . . . 166 ASN CA . 25891 1 463 . 1 1 166 166 ASN N N 15 115.741 0.1 . 1 . . . . 166 ASN N . 25891 1 464 . 1 1 167 167 ARG H H 1 7.138 0.02 . 1 . . . . 167 ARG HN . 25891 1 465 . 1 1 167 167 ARG CA C 13 60.522 0.1 . 1 . . . . 167 ARG CA . 25891 1 466 . 1 1 167 167 ARG N N 15 119.265 0.1 . 1 . . . . 167 ARG N . 25891 1 467 . 1 1 168 168 GLU H H 1 8.447 0.02 . 1 . . . . 168 GLU HN . 25891 1 468 . 1 1 168 168 GLU CA C 13 59.160 0.1 . 1 . . . . 168 GLU CA . 25891 1 469 . 1 1 168 168 GLU N N 15 118.482 0.1 . 1 . . . . 168 GLU N . 25891 1 470 . 1 1 169 169 GLU H H 1 8.432 0.02 . 1 . . . . 169 GLU HN . 25891 1 471 . 1 1 169 169 GLU CA C 13 58.889 0.1 . 1 . . . . 169 GLU CA . 25891 1 472 . 1 1 169 169 GLU N N 15 123.026 0.1 . 1 . . . . 169 GLU N . 25891 1 473 . 1 1 170 170 LEU H H 1 7.781 0.02 . 1 . . . . 170 LEU HN . 25891 1 474 . 1 1 170 170 LEU CA C 13 54.971 0.1 . 1 . . . . 170 LEU CA . 25891 1 475 . 1 1 170 170 LEU N N 15 116.093 0.1 . 1 . . . . 170 LEU N . 25891 1 476 . 1 1 171 171 GLY H H 1 7.763 0.02 . 1 . . . . 171 GLY HN . 25891 1 477 . 1 1 171 171 GLY CA C 13 45.239 0.1 . 1 . . . . 171 GLY CA . 25891 1 478 . 1 1 171 171 GLY N N 15 106.710 0.1 . 1 . . . . 171 GLY N . 25891 1 479 . 1 1 172 172 PHE H H 1 8.154 0.02 . 1 . . . . 172 PHE HN . 25891 1 480 . 1 1 172 172 PHE CA C 13 57.729 0.1 . 1 . . . . 172 PHE CA . 25891 1 481 . 1 1 172 172 PHE N N 15 123.791 0.1 . 1 . . . . 172 PHE N . 25891 1 482 . 1 1 173 173 ARG H H 1 5.954 0.02 . 1 . . . . 173 ARG HN . 25891 1 483 . 1 1 173 173 ARG CA C 13 55.191 0.1 . 1 . . . . 173 ARG CA . 25891 1 484 . 1 1 173 173 ARG N N 15 126.812 0.1 . 1 . . . . 173 ARG N . 25891 1 485 . 1 1 174 174 PRO CA C 13 64.870 0.1 . 1 . . . . 174 PRO CA . 25891 1 486 . 1 1 175 175 GLU H H 1 9.001 0.02 . 1 . . . . 175 GLU HN . 25891 1 487 . 1 1 175 175 GLU CA C 13 56.921 0.1 . 1 . . . . 175 GLU CA . 25891 1 488 . 1 1 175 175 GLU N N 15 112.664 0.1 . 1 . . . . 175 GLU N . 25891 1 489 . 1 1 176 176 TYR H H 1 7.531 0.02 . 1 . . . . 176 TYR HN . 25891 1 490 . 1 1 176 176 TYR CA C 13 52.916 0.1 . 1 . . . . 176 TYR CA . 25891 1 491 . 1 1 176 176 TYR N N 15 122.403 0.1 . 1 . . . . 176 TYR N . 25891 1 492 . 1 1 177 177 SER H H 1 8.150 0.02 . 1 . . . . 177 SER HN . 25891 1 493 . 1 1 177 177 SER CA C 13 55.367 0.1 . 1 . . . . 177 SER CA . 25891 1 494 . 1 1 177 177 SER N N 15 112.107 0.1 . 1 . . . . 177 SER N . 25891 1 495 . 1 1 178 178 ALA H H 1 8.468 0.02 . 1 . . . . 178 ALA HN . 25891 1 496 . 1 1 178 178 ALA CA C 13 53.953 0.1 . 1 . . . . 178 ALA CA . 25891 1 497 . 1 1 178 178 ALA N N 15 121.882 0.1 . 1 . . . . 178 ALA N . 25891 1 498 . 1 1 179 179 SER H H 1 7.509 0.02 . 1 . . . . 179 SER HN . 25891 1 499 . 1 1 179 179 SER CA C 13 58.827 0.1 . 1 . . . . 179 SER CA . 25891 1 500 . 1 1 179 179 SER N N 15 106.430 0.1 . 1 . . . . 179 SER N . 25891 1 501 . 1 1 180 180 GLN H H 1 7.622 0.02 . 1 . . . . 180 GLN HN . 25891 1 502 . 1 1 180 180 GLN CA C 13 55.990 0.1 . 1 . . . . 180 GLN CA . 25891 1 503 . 1 1 180 180 GLN N N 15 118.417 0.1 . 1 . . . . 180 GLN N . 25891 1 504 . 1 1 181 181 LEU H H 1 7.692 0.02 . 1 . . . . 181 LEU HN . 25891 1 505 . 1 1 181 181 LEU CA C 13 55.139 0.1 . 1 . . . . 181 LEU CA . 25891 1 506 . 1 1 181 181 LEU N N 15 119.534 0.1 . 1 . . . . 181 LEU N . 25891 1 507 . 1 1 182 182 LYS H H 1 9.109 0.02 . 1 . . . . 182 LYS HN . 25891 1 508 . 1 1 182 182 LYS CA C 13 58.608 0.1 . 1 . . . . 182 LYS CA . 25891 1 509 . 1 1 182 182 LYS N N 15 128.445 0.1 . 1 . . . . 182 LYS N . 25891 1 510 . 1 1 183 183 GLY H H 1 8.976 0.02 . 1 . . . . 183 GLY HN . 25891 1 511 . 1 1 183 183 GLY CA C 13 44.861 0.1 . 1 . . . . 183 GLY CA . 25891 1 512 . 1 1 183 183 GLY N N 15 114.407 0.1 . 1 . . . . 183 GLY N . 25891 1 513 . 1 1 184 184 PHE H H 1 8.212 0.02 . 1 . . . . 184 PHE HN . 25891 1 514 . 1 1 184 184 PHE CA C 13 61.627 0.1 . 1 . . . . 184 PHE CA . 25891 1 515 . 1 1 184 184 PHE N N 15 123.122 0.1 . 1 . . . . 184 PHE N . 25891 1 516 . 1 1 185 185 SER H H 1 8.534 0.02 . 1 . . . . 185 SER HN . 25891 1 517 . 1 1 185 185 SER CA C 13 60.567 0.1 . 1 . . . . 185 SER CA . 25891 1 518 . 1 1 185 185 SER N N 15 107.724 0.1 . 1 . . . . 185 SER N . 25891 1 519 . 1 1 186 186 LEU H H 1 7.421 0.02 . 1 . . . . 186 LEU HN . 25891 1 520 . 1 1 186 186 LEU CA C 13 54.629 0.1 . 1 . . . . 186 LEU CA . 25891 1 521 . 1 1 186 186 LEU N N 15 119.778 0.1 . 1 . . . . 186 LEU N . 25891 1 522 . 1 1 187 187 LEU H H 1 7.271 0.02 . 1 . . . . 187 LEU HN . 25891 1 523 . 1 1 187 187 LEU CA C 13 54.115 0.1 . 1 . . . . 187 LEU CA . 25891 1 524 . 1 1 187 187 LEU N N 15 119.042 0.1 . 1 . . . . 187 LEU N . 25891 1 525 . 1 1 188 188 ALA H H 1 8.764 0.02 . 1 . . . . 188 ALA HN . 25891 1 526 . 1 1 188 188 ALA CA C 13 51.748 0.1 . 1 . . . . 188 ALA CA . 25891 1 527 . 1 1 188 188 ALA N N 15 122.170 0.1 . 1 . . . . 188 ALA N . 25891 1 528 . 1 1 189 189 THR H H 1 8.899 0.02 . 1 . . . . 189 THR HN . 25891 1 529 . 1 1 189 189 THR CA C 13 67.101 0.1 . 1 . . . . 189 THR CA . 25891 1 530 . 1 1 189 189 THR N N 15 118.941 0.1 . 1 . . . . 189 THR N . 25891 1 531 . 1 1 190 190 GLU H H 1 9.652 0.02 . 1 . . . . 190 GLU HN . 25891 1 532 . 1 1 190 190 GLU CA C 13 59.521 0.1 . 1 . . . . 190 GLU CA . 25891 1 533 . 1 1 190 190 GLU N N 15 118.460 0.1 . 1 . . . . 190 GLU N . 25891 1 534 . 1 1 191 191 ASP H H 1 7.128 0.02 . 1 . . . . 191 ASP HN . 25891 1 535 . 1 1 191 191 ASP CA C 13 56.939 0.1 . 1 . . . . 191 ASP CA . 25891 1 536 . 1 1 191 191 ASP N N 15 118.692 0.1 . 1 . . . . 191 ASP N . 25891 1 537 . 1 1 192 192 LYS H H 1 8.231 0.02 . 1 . . . . 192 LYS HN . 25891 1 538 . 1 1 192 192 LYS CA C 13 60.127 0.1 . 1 . . . . 192 LYS CA . 25891 1 539 . 1 1 192 192 LYS N N 15 120.857 0.1 . 1 . . . . 192 LYS N . 25891 1 540 . 1 1 193 193 GLU H H 1 8.253 0.02 . 1 . . . . 193 GLU HN . 25891 1 541 . 1 1 193 193 GLU CA C 13 58.572 0.1 . 1 . . . . 193 GLU CA . 25891 1 542 . 1 1 193 193 GLU N N 15 115.956 0.1 . 1 . . . . 193 GLU N . 25891 1 543 . 1 1 194 194 ALA H H 1 7.613 0.02 . 1 . . . . 194 ALA HN . 25891 1 544 . 1 1 194 194 ALA CA C 13 54.770 0.1 . 1 . . . . 194 ALA CA . 25891 1 545 . 1 1 194 194 ALA N N 15 121.120 0.1 . 1 . . . . 194 ALA N . 25891 1 546 . 1 1 195 195 LEU H H 1 8.085 0.02 . 1 . . . . 195 LEU HN . 25891 1 547 . 1 1 195 195 LEU CA C 13 57.259 0.1 . 1 . . . . 195 LEU CA . 25891 1 548 . 1 1 195 195 LEU N N 15 118.207 0.1 . 1 . . . . 195 LEU N . 25891 1 549 . 1 1 196 196 LYS H H 1 8.451 0.02 . 1 . . . . 196 LYS HN . 25891 1 550 . 1 1 196 196 LYS CA C 13 59.481 0.1 . 1 . . . . 196 LYS CA . 25891 1 551 . 1 1 196 196 LYS N N 15 118.903 0.1 . 1 . . . . 196 LYS N . 25891 1 552 . 1 1 197 197 LYS H H 1 7.322 0.02 . 1 . . . . 197 LYS HN . 25891 1 553 . 1 1 197 197 LYS CA C 13 58.028 0.1 . 1 . . . . 197 LYS CA . 25891 1 554 . 1 1 197 197 LYS N N 15 115.349 0.1 . 1 . . . . 197 LYS N . 25891 1 555 . 1 1 198 198 GLN H H 1 7.335 0.02 . 1 . . . . 198 GLN HN . 25891 1 556 . 1 1 198 198 GLN CA C 13 57.290 0.1 . 1 . . . . 198 GLN CA . 25891 1 557 . 1 1 198 198 GLN N N 15 115.871 0.1 . 1 . . . . 198 GLN N . 25891 1 558 . 1 1 199 199 LEU H H 1 8.049 0.02 . 1 . . . . 199 LEU HN . 25891 1 559 . 1 1 199 199 LEU CA C 13 61.058 0.1 . 1 . . . . 199 LEU CA . 25891 1 560 . 1 1 199 199 LEU N N 15 117.916 0.1 . 1 . . . . 199 LEU N . 25891 1 561 . 1 1 200 200 PRO CA C 13 63.535 0.1 . 1 . . . . 200 PRO CA . 25891 1 562 . 1 1 201 201 GLY H H 1 8.418 0.02 . 1 . . . . 201 GLY HN . 25891 1 563 . 1 1 201 201 GLY CA C 13 44.229 0.1 . 1 . . . . 201 GLY CA . 25891 1 564 . 1 1 201 201 GLY N N 15 108.535 0.1 . 1 . . . . 201 GLY N . 25891 1 565 . 1 1 202 202 VAL H H 1 8.089 0.02 . 1 . . . . 202 VAL HN . 25891 1 566 . 1 1 202 202 VAL CA C 13 61.339 0.1 . 1 . . . . 202 VAL CA . 25891 1 567 . 1 1 202 202 VAL N N 15 120.227 0.1 . 1 . . . . 202 VAL N . 25891 1 568 . 1 1 203 203 LYS H H 1 8.397 0.02 . 1 . . . . 203 LYS HN . 25891 1 569 . 1 1 203 203 LYS CA C 13 55.657 0.1 . 1 . . . . 203 LYS CA . 25891 1 570 . 1 1 203 203 LYS N N 15 125.091 0.1 . 1 . . . . 203 LYS N . 25891 1 571 . 1 1 204 204 SER H H 1 8.397 0.02 . 1 . . . . 204 SER HN . 25891 1 572 . 1 1 204 204 SER CA C 13 57.834 0.1 . 1 . . . . 204 SER CA . 25891 1 573 . 1 1 204 204 SER N N 15 117.804 0.1 . 1 . . . . 204 SER N . 25891 1 574 . 1 1 205 205 GLU H H 1 8.542 0.02 . 1 . . . . 205 GLU HN . 25891 1 575 . 1 1 205 205 GLU CA C 13 56.279 0.1 . 1 . . . . 205 GLU CA . 25891 1 576 . 1 1 205 205 GLU N N 15 123.190 0.1 . 1 . . . . 205 GLU N . 25891 1 577 . 1 1 206 206 GLY H H 1 8.409 0.02 . 1 . . . . 206 GLY HN . 25891 1 578 . 1 1 206 206 GLY CA C 13 44.862 0.1 . 1 . . . . 206 GLY CA . 25891 1 579 . 1 1 206 206 GLY N N 15 109.676 0.1 . 1 . . . . 206 GLY N . 25891 1 580 . 1 1 207 207 LYS H H 1 8.157 0.02 . 1 . . . . 207 LYS HN . 25891 1 581 . 1 1 207 207 LYS CA C 13 55.735 0.1 . 1 . . . . 207 LYS CA . 25891 1 582 . 1 1 207 207 LYS N N 15 120.952 0.1 . 1 . . . . 207 LYS N . 25891 1 583 . 1 1 208 208 ARG H H 1 8.432 0.02 . 1 . . . . 208 ARG HN . 25891 1 584 . 1 1 208 208 ARG CA C 13 55.665 0.1 . 1 . . . . 208 ARG CA . 25891 1 585 . 1 1 208 208 ARG N N 15 122.749 0.1 . 1 . . . . 208 ARG N . 25891 1 586 . 1 1 209 209 LYS CA C 13 56.305 0.1 . 1 . . . . 209 LYS CA . 25891 1 587 . 1 1 210 210 GLY H H 1 8.564 0.02 . 1 . . . . 210 GLY HN . 25891 1 588 . 1 1 210 210 GLY CA C 13 45.006 0.1 . 1 . . . . 210 GLY CA . 25891 1 589 . 1 1 210 210 GLY N N 15 110.391 0.1 . 1 . . . . 210 GLY N . 25891 1 590 . 1 1 211 211 ASP H H 1 8.228 0.02 . 1 . . . . 211 ASP HN . 25891 1 591 . 1 1 211 211 ASP CA C 13 54.035 0.1 . 1 . . . . 211 ASP CA . 25891 1 592 . 1 1 211 211 ASP N N 15 120.162 0.1 . 1 . . . . 211 ASP N . 25891 1 593 . 1 1 212 212 GLU H H 1 8.421 0.02 . 1 . . . . 212 GLU HN . 25891 1 594 . 1 1 212 212 GLU CA C 13 56.412 0.1 . 1 . . . . 212 GLU CA . 25891 1 595 . 1 1 212 212 GLU N N 15 120.562 0.1 . 1 . . . . 212 GLU N . 25891 1 596 . 1 1 213 213 VAL H H 1 8.055 0.02 . 1 . . . . 213 VAL HN . 25891 1 597 . 1 1 213 213 VAL CA C 13 61.620 0.1 . 1 . . . . 213 VAL CA . 25891 1 598 . 1 1 213 213 VAL N N 15 119.775 0.1 . 1 . . . . 213 VAL N . 25891 1 599 . 1 1 214 214 ASP H H 1 8.344 0.02 . 1 . . . . 214 ASP HN . 25891 1 600 . 1 1 214 214 ASP CA C 13 53.794 0.1 . 1 . . . . 214 ASP CA . 25891 1 601 . 1 1 214 214 ASP N N 15 123.542 0.1 . 1 . . . . 214 ASP N . 25891 1 602 . 1 1 215 215 GLY H H 1 8.387 0.02 . 1 . . . . 215 GLY HN . 25891 1 603 . 1 1 215 215 GLY CA C 13 44.835 0.1 . 1 . . . . 215 GLY CA . 25891 1 604 . 1 1 215 215 GLY N N 15 108.983 0.1 . 1 . . . . 215 GLY N . 25891 1 605 . 1 1 216 216 VAL H H 1 8.069 0.02 . 1 . . . . 216 VAL HN . 25891 1 606 . 1 1 216 216 VAL CA C 13 62.161 0.1 . 1 . . . . 216 VAL CA . 25891 1 607 . 1 1 216 216 VAL N N 15 118.810 0.1 . 1 . . . . 216 VAL N . 25891 1 608 . 1 1 217 217 ASP H H 1 8.404 0.02 . 1 . . . . 217 ASP HN . 25891 1 609 . 1 1 217 217 ASP CA C 13 54.153 0.1 . 1 . . . . 217 ASP CA . 25891 1 610 . 1 1 217 217 ASP N N 15 122.924 0.1 . 1 . . . . 217 ASP N . 25891 1 611 . 1 1 218 218 GLU H H 1 8.278 0.02 . 1 . . . . 218 GLU HN . 25891 1 612 . 1 1 218 218 GLU CA C 13 56.963 0.1 . 1 . . . . 218 GLU CA . 25891 1 613 . 1 1 218 218 GLU N N 15 121.297 0.1 . 1 . . . . 218 GLU N . 25891 1 614 . 1 1 219 219 VAL H H 1 8.061 0.02 . 1 . . . . 219 VAL HN . 25891 1 615 . 1 1 219 219 VAL CA C 13 63.260 0.1 . 1 . . . . 219 VAL CA . 25891 1 616 . 1 1 219 219 VAL N N 15 120.435 0.1 . 1 . . . . 219 VAL N . 25891 1 617 . 1 1 220 220 ALA H H 1 8.169 0.02 . 1 . . . . 220 ALA HN . 25891 1 618 . 1 1 220 220 ALA CA C 13 52.801 0.1 . 1 . . . . 220 ALA CA . 25891 1 619 . 1 1 220 220 ALA N N 15 125.118 0.1 . 1 . . . . 220 ALA N . 25891 1 620 . 1 1 221 221 LYS H H 1 8.052 0.02 . 1 . . . . 221 LYS HN . 25891 1 621 . 1 1 221 221 LYS CA C 13 56.586 0.1 . 1 . . . . 221 LYS CA . 25891 1 622 . 1 1 221 221 LYS N N 15 119.374 0.1 . 1 . . . . 221 LYS N . 25891 1 623 . 1 1 222 222 LYS H H 1 8.232 0.02 . 1 . . . . 222 LYS HN . 25891 1 624 . 1 1 222 222 LYS CA C 13 56.322 0.1 . 1 . . . . 222 LYS CA . 25891 1 625 . 1 1 222 222 LYS N N 15 121.937 0.1 . 1 . . . . 222 LYS N . 25891 1 626 . 1 1 226 226 LYS H H 1 8.290 0.02 . 1 . . . . 226 LYS HN . 25891 1 627 . 1 1 226 226 LYS CA C 13 56.603 0.1 . 1 . . . . 226 LYS CA . 25891 1 628 . 1 1 226 226 LYS N N 15 121.629 0.1 . 1 . . . . 226 LYS N . 25891 1 629 . 1 1 227 227 GLU H H 1 8.357 0.02 . 1 . . . . 227 GLU HN . 25891 1 630 . 1 1 227 227 GLU N N 15 121.561 0.1 . 1 . . . . 227 GLU N . 25891 1 631 . 1 1 228 228 LYS H H 1 8.314 0.02 . 1 . . . . 228 LYS HN . 25891 1 632 . 1 1 228 228 LYS CA C 13 56.731 0.1 . 1 . . . . 228 LYS CA . 25891 1 633 . 1 1 228 228 LYS N N 15 121.811 0.1 . 1 . . . . 228 LYS N . 25891 1 634 . 1 1 229 229 ASP H H 1 8.412 0.02 . 1 . . . . 229 ASP HN . 25891 1 635 . 1 1 229 229 ASP CA C 13 54.689 0.1 . 1 . . . . 229 ASP CA . 25891 1 636 . 1 1 229 229 ASP N N 15 121.098 0.1 . 1 . . . . 229 ASP N . 25891 1 637 . 1 1 230 230 LYS H H 1 8.175 0.02 . 1 . . . . 230 LYS HN . 25891 1 638 . 1 1 230 230 LYS CA C 13 56.990 0.1 . 1 . . . . 230 LYS CA . 25891 1 639 . 1 1 230 230 LYS N N 15 121.305 0.1 . 1 . . . . 230 LYS N . 25891 1 640 . 1 1 231 231 ASP H H 1 8.397 0.02 . 1 . . . . 231 ASP HN . 25891 1 641 . 1 1 231 231 ASP CA C 13 54.580 0.1 . 1 . . . . 231 ASP CA . 25891 1 642 . 1 1 231 231 ASP N N 15 121.083 0.1 . 1 . . . . 231 ASP N . 25891 1 643 . 1 1 232 232 SER H H 1 8.427 0.02 . 1 . . . . 232 SER HN . 25891 1 644 . 1 1 232 232 SER N N 15 117.541 0.1 . 1 . . . . 232 SER N . 25891 1 645 . 1 1 233 233 LYS H H 1 8.363 0.02 . 1 . . . . 233 LYS HN . 25891 1 646 . 1 1 233 233 LYS CA C 13 59.071 0.1 . 1 . . . . 233 LYS CA . 25891 1 647 . 1 1 233 233 LYS N N 15 122.593 0.1 . 1 . . . . 233 LYS N . 25891 1 648 . 1 1 234 234 LEU H H 1 8.121 0.02 . 1 . . . . 234 LEU HN . 25891 1 649 . 1 1 234 234 LEU CA C 13 57.340 0.1 . 1 . . . . 234 LEU CA . 25891 1 650 . 1 1 234 234 LEU N N 15 121.837 0.1 . 1 . . . . 234 LEU N . 25891 1 651 . 1 1 235 235 GLU H H 1 8.175 0.02 . 1 . . . . 235 GLU HN . 25891 1 652 . 1 1 235 235 GLU CA C 13 59.501 0.1 . 1 . . . . 235 GLU CA . 25891 1 653 . 1 1 235 235 GLU N N 15 119.034 0.1 . 1 . . . . 235 GLU N . 25891 1 654 . 1 1 236 236 LYS H H 1 8.096 0.02 . 1 . . . . 236 LYS HN . 25891 1 655 . 1 1 236 236 LYS CA C 13 59.220 0.1 . 1 . . . . 236 LYS CA . 25891 1 656 . 1 1 236 236 LYS N N 15 119.056 0.1 . 1 . . . . 236 LYS N . 25891 1 657 . 1 1 237 237 ALA H H 1 8.033 0.02 . 1 . . . . 237 ALA HN . 25891 1 658 . 1 1 237 237 ALA CA C 13 54.508 0.1 . 1 . . . . 237 ALA CA . 25891 1 659 . 1 1 237 237 ALA N N 15 123.603 0.1 . 1 . . . . 237 ALA N . 25891 1 660 . 1 1 238 238 LEU H H 1 8.723 0.02 . 1 . . . . 238 LEU HN . 25891 1 661 . 1 1 238 238 LEU CA C 13 57.605 0.1 . 1 . . . . 238 LEU CA . 25891 1 662 . 1 1 238 238 LEU N N 15 121.816 0.1 . 1 . . . . 238 LEU N . 25891 1 663 . 1 1 239 239 LYS H H 1 7.959 0.02 . 1 . . . . 239 LYS HN . 25891 1 664 . 1 1 239 239 LYS CA C 13 59.264 0.1 . 1 . . . . 239 LYS CA . 25891 1 665 . 1 1 239 239 LYS N N 15 120.514 0.1 . 1 . . . . 239 LYS N . 25891 1 666 . 1 1 240 240 ALA H H 1 7.939 0.02 . 1 . . . . 240 ALA HN . 25891 1 667 . 1 1 240 240 ALA CA C 13 54.540 0.1 . 1 . . . . 240 ALA CA . 25891 1 668 . 1 1 240 240 ALA N N 15 119.804 0.1 . 1 . . . . 240 ALA N . 25891 1 669 . 1 1 241 241 GLN H H 1 8.021 0.02 . 1 . . . . 241 GLN HN . 25891 1 670 . 1 1 241 241 GLN CA C 13 58.918 0.1 . 1 . . . . 241 GLN CA . 25891 1 671 . 1 1 241 241 GLN N N 15 119.621 0.1 . 1 . . . . 241 GLN N . 25891 1 672 . 1 1 242 242 ASN H H 1 8.509 0.02 . 1 . . . . 242 ASN HN . 25891 1 673 . 1 1 242 242 ASN CA C 13 56.000 0.1 . 1 . . . . 242 ASN CA . 25891 1 674 . 1 1 242 242 ASN N N 15 118.821 0.1 . 1 . . . . 242 ASN N . 25891 1 675 . 1 1 243 243 ASP H H 1 8.825 0.02 . 1 . . . . 243 ASP HN . 25891 1 676 . 1 1 243 243 ASP CA C 13 57.042 0.1 . 1 . . . . 243 ASP CA . 25891 1 677 . 1 1 243 243 ASP N N 15 120.979 0.1 . 1 . . . . 243 ASP N . 25891 1 678 . 1 1 244 244 LEU H H 1 7.850 0.02 . 1 . . . . 244 LEU HN . 25891 1 679 . 1 1 244 244 LEU CA C 13 57.267 0.1 . 1 . . . . 244 LEU CA . 25891 1 680 . 1 1 244 244 LEU N N 15 122.452 0.1 . 1 . . . . 244 LEU N . 25891 1 681 . 1 1 245 245 ILE H H 1 8.081 0.02 . 1 . . . . 245 ILE HN . 25891 1 682 . 1 1 245 245 ILE CA C 13 64.603 0.1 . 1 . . . . 245 ILE CA . 25891 1 683 . 1 1 245 245 ILE N N 15 118.338 0.1 . 1 . . . . 245 ILE N . 25891 1 684 . 1 1 246 246 TRP H H 1 8.419 0.02 . 1 . . . . 246 TRP HN . 25891 1 685 . 1 1 246 246 TRP CA C 13 61.579 0.1 . 1 . . . . 246 TRP CA . 25891 1 686 . 1 1 246 246 TRP N N 15 118.996 0.1 . 1 . . . . 246 TRP N . 25891 1 687 . 1 1 247 247 ASN H H 1 8.460 0.02 . 1 . . . . 247 ASN HN . 25891 1 688 . 1 1 247 247 ASN CA C 13 56.416 0.1 . 1 . . . . 247 ASN CA . 25891 1 689 . 1 1 247 247 ASN N N 15 118.086 0.1 . 1 . . . . 247 ASN N . 25891 1 690 . 1 1 248 248 ILE H H 1 8.337 0.02 . 1 . . . . 248 ILE HN . 25891 1 691 . 1 1 248 248 ILE CA C 13 64.329 0.1 . 1 . . . . 248 ILE CA . 25891 1 692 . 1 1 248 248 ILE N N 15 120.523 0.1 . 1 . . . . 248 ILE N . 25891 1 693 . 1 1 249 249 LYS H H 1 8.262 0.02 . 1 . . . . 249 LYS HN . 25891 1 694 . 1 1 249 249 LYS CA C 13 60.977 0.1 . 1 . . . . 249 LYS CA . 25891 1 695 . 1 1 249 249 LYS N N 15 118.797 0.1 . 1 . . . . 249 LYS N . 25891 1 696 . 1 1 250 250 ASP H H 1 8.016 0.02 . 1 . . . . 250 ASP HN . 25891 1 697 . 1 1 250 250 ASP CA C 13 57.329 0.1 . 1 . . . . 250 ASP CA . 25891 1 698 . 1 1 250 250 ASP N N 15 117.764 0.1 . 1 . . . . 250 ASP N . 25891 1 699 . 1 1 251 251 GLU H H 1 7.901 0.02 . 1 . . . . 251 GLU HN . 25891 1 700 . 1 1 251 251 GLU CA C 13 58.826 0.1 . 1 . . . . 251 GLU CA . 25891 1 701 . 1 1 251 251 GLU N N 15 118.404 0.1 . 1 . . . . 251 GLU N . 25891 1 702 . 1 1 252 252 LEU H H 1 8.801 0.02 . 1 . . . . 252 LEU HN . 25891 1 703 . 1 1 252 252 LEU CA C 13 57.784 0.1 . 1 . . . . 252 LEU CA . 25891 1 704 . 1 1 252 252 LEU N N 15 119.000 0.1 . 1 . . . . 252 LEU N . 25891 1 705 . 1 1 253 253 LYS H H 1 7.815 0.02 . 1 . . . . 253 LYS HN . 25891 1 706 . 1 1 253 253 LYS CA C 13 58.002 0.1 . 1 . . . . 253 LYS CA . 25891 1 707 . 1 1 253 253 LYS N N 15 115.190 0.1 . 1 . . . . 253 LYS N . 25891 1 708 . 1 1 254 254 LYS H H 1 7.383 0.02 . 1 . . . . 254 LYS HN . 25891 1 709 . 1 1 254 254 LYS CA C 13 58.195 0.1 . 1 . . . . 254 LYS CA . 25891 1 710 . 1 1 254 254 LYS N N 15 116.073 0.1 . 1 . . . . 254 LYS N . 25891 1 711 . 1 1 255 255 VAL H H 1 7.590 0.02 . 1 . . . . 255 VAL HN . 25891 1 712 . 1 1 255 255 VAL CA C 13 61.794 0.1 . 1 . . . . 255 VAL CA . 25891 1 713 . 1 1 255 255 VAL N N 15 109.928 0.1 . 1 . . . . 255 VAL N . 25891 1 714 . 1 1 256 256 CYS H H 1 8.285 0.02 . 1 . . . . 256 CYS HN . 25891 1 715 . 1 1 256 256 CYS CA C 13 58.272 0.1 . 1 . . . . 256 CYS CA . 25891 1 716 . 1 1 256 256 CYS N N 15 118.816 0.1 . 1 . . . . 256 CYS N . 25891 1 717 . 1 1 257 257 SER H H 1 9.328 0.02 . 1 . . . . 257 SER HN . 25891 1 718 . 1 1 257 257 SER CA C 13 56.281 0.1 . 1 . . . . 257 SER CA . 25891 1 719 . 1 1 257 257 SER N N 15 118.980 0.1 . 1 . . . . 257 SER N . 25891 1 720 . 1 1 258 258 THR H H 1 8.990 0.02 . 1 . . . . 258 THR HN . 25891 1 721 . 1 1 258 258 THR CA C 13 66.992 0.1 . 1 . . . . 258 THR CA . 25891 1 722 . 1 1 258 258 THR N N 15 117.638 0.1 . 1 . . . . 258 THR N . 25891 1 723 . 1 1 259 259 ASN H H 1 8.476 0.02 . 1 . . . . 259 ASN HN . 25891 1 724 . 1 1 259 259 ASN CA C 13 56.603 0.1 . 1 . . . . 259 ASN CA . 25891 1 725 . 1 1 259 259 ASN N N 15 119.037 0.1 . 1 . . . . 259 ASN N . 25891 1 726 . 1 1 260 260 ASP H H 1 7.986 0.02 . 1 . . . . 260 ASP HN . 25891 1 727 . 1 1 260 260 ASP CA C 13 57.236 0.1 . 1 . . . . 260 ASP CA . 25891 1 728 . 1 1 260 260 ASP N N 15 120.897 0.1 . 1 . . . . 260 ASP N . 25891 1 729 . 1 1 261 261 LEU H H 1 7.787 0.02 . 1 . . . . 261 LEU HN . 25891 1 730 . 1 1 261 261 LEU CA C 13 57.587 0.1 . 1 . . . . 261 LEU CA . 25891 1 731 . 1 1 261 261 LEU N N 15 117.483 0.1 . 1 . . . . 261 LEU N . 25891 1 732 . 1 1 262 262 LYS H H 1 8.235 0.02 . 1 . . . . 262 LYS HN . 25891 1 733 . 1 1 262 262 LYS CA C 13 60.617 0.1 . 1 . . . . 262 LYS CA . 25891 1 734 . 1 1 262 262 LYS N N 15 117.782 0.1 . 1 . . . . 262 LYS N . 25891 1 735 . 1 1 263 263 GLU H H 1 8.064 0.02 . 1 . . . . 263 GLU HN . 25891 1 736 . 1 1 263 263 GLU CA C 13 59.027 0.1 . 1 . . . . 263 GLU CA . 25891 1 737 . 1 1 263 263 GLU N N 15 116.910 0.1 . 1 . . . . 263 GLU N . 25891 1 738 . 1 1 264 264 LEU H H 1 8.049 0.02 . 1 . . . . 264 LEU HN . 25891 1 739 . 1 1 264 264 LEU CA C 13 57.973 0.1 . 1 . . . . 264 LEU CA . 25891 1 740 . 1 1 264 264 LEU N N 15 119.952 0.1 . 1 . . . . 264 LEU N . 25891 1 741 . 1 1 265 265 LEU H H 1 7.847 0.02 . 1 . . . . 265 LEU HN . 25891 1 742 . 1 1 265 265 LEU CA C 13 58.500 0.1 . 1 . . . . 265 LEU CA . 25891 1 743 . 1 1 265 265 LEU N N 15 119.776 0.1 . 1 . . . . 265 LEU N . 25891 1 744 . 1 1 266 266 ILE H H 1 8.509 0.02 . 1 . . . . 266 ILE HN . 25891 1 745 . 1 1 266 266 ILE CA C 13 64.894 0.1 . 1 . . . . 266 ILE CA . 25891 1 746 . 1 1 266 266 ILE N N 15 121.265 0.1 . 1 . . . . 266 ILE N . 25891 1 747 . 1 1 267 267 PHE H H 1 8.871 0.02 . 1 . . . . 267 PHE HN . 25891 1 748 . 1 1 267 267 PHE CA C 13 60.986 0.1 . 1 . . . . 267 PHE CA . 25891 1 749 . 1 1 267 267 PHE N N 15 123.133 0.1 . 1 . . . . 267 PHE N . 25891 1 750 . 1 1 268 268 ASN H H 1 7.120 0.02 . 1 . . . . 268 ASN HN . 25891 1 751 . 1 1 268 268 ASN CA C 13 53.731 0.1 . 1 . . . . 268 ASN CA . 25891 1 752 . 1 1 268 268 ASN N N 15 113.081 0.1 . 1 . . . . 268 ASN N . 25891 1 753 . 1 1 269 269 LYS H H 1 8.335 0.02 . 1 . . . . 269 LYS HN . 25891 1 754 . 1 1 269 269 LYS CA C 13 56.612 0.1 . 1 . . . . 269 LYS CA . 25891 1 755 . 1 1 269 269 LYS N N 15 118.081 0.1 . 1 . . . . 269 LYS N . 25891 1 756 . 1 1 270 270 GLN H H 1 8.362 0.02 . 1 . . . . 270 GLN HN . 25891 1 757 . 1 1 270 270 GLN CA C 13 51.820 0.1 . 1 . . . . 270 GLN CA . 25891 1 758 . 1 1 270 270 GLN N N 15 116.323 0.1 . 1 . . . . 270 GLN N . 25891 1 759 . 1 1 271 271 GLN H H 1 8.186 0.02 . 1 . . . . 271 GLN HN . 25891 1 760 . 1 1 271 271 GLN CA C 13 55.558 0.1 . 1 . . . . 271 GLN CA . 25891 1 761 . 1 1 271 271 GLN N N 15 120.626 0.1 . 1 . . . . 271 GLN N . 25891 1 762 . 1 1 272 272 VAL H H 1 8.599 0.02 . 1 . . . . 272 VAL HN . 25891 1 763 . 1 1 272 272 VAL CA C 13 59.343 0.1 . 1 . . . . 272 VAL CA . 25891 1 764 . 1 1 272 272 VAL N N 15 123.807 0.1 . 1 . . . . 272 VAL N . 25891 1 765 . 1 1 273 273 PRO CA C 13 61.662 0.1 . 1 . . . . 273 PRO CA . 25891 1 766 . 1 1 274 274 SER H H 1 8.242 0.02 . 1 . . . . 274 SER HN . 25891 1 767 . 1 1 274 274 SER CA C 13 58.808 0.1 . 1 . . . . 274 SER CA . 25891 1 768 . 1 1 274 274 SER N N 15 111.197 0.1 . 1 . . . . 274 SER N . 25891 1 769 . 1 1 275 275 GLY H H 1 8.275 0.02 . 1 . . . . 275 GLY HN . 25891 1 770 . 1 1 275 275 GLY CA C 13 44.509 0.1 . 1 . . . . 275 GLY CA . 25891 1 771 . 1 1 275 275 GLY N N 15 111.974 0.1 . 1 . . . . 275 GLY N . 25891 1 772 . 1 1 276 276 GLU H H 1 8.825 0.02 . 1 . . . . 276 GLU HN . 25891 1 773 . 1 1 276 276 GLU CA C 13 60.134 0.1 . 1 . . . . 276 GLU CA . 25891 1 774 . 1 1 276 276 GLU N N 15 124.231 0.1 . 1 . . . . 276 GLU N . 25891 1 775 . 1 1 277 277 SER CA C 13 61.258 0.1 . 1 . . . . 277 SER CA . 25891 1 776 . 1 1 278 278 ALA H H 1 7.615 0.02 . 1 . . . . 278 ALA HN . 25891 1 777 . 1 1 278 278 ALA CA C 13 54.311 0.1 . 1 . . . . 278 ALA CA . 25891 1 778 . 1 1 278 278 ALA N N 15 124.475 0.1 . 1 . . . . 278 ALA N . 25891 1 779 . 1 1 279 279 ILE H H 1 7.993 0.02 . 1 . . . . 279 ILE HN . 25891 1 780 . 1 1 279 279 ILE CA C 13 66.204 0.1 . 1 . . . . 279 ILE CA . 25891 1 781 . 1 1 279 279 ILE N N 15 119.034 0.1 . 1 . . . . 279 ILE N . 25891 1 782 . 1 1 280 280 LEU H H 1 7.856 0.02 . 1 . . . . 280 LEU HN . 25891 1 783 . 1 1 280 280 LEU CA C 13 58.140 0.1 . 1 . . . . 280 LEU CA . 25891 1 784 . 1 1 280 280 LEU N N 15 118.456 0.1 . 1 . . . . 280 LEU N . 25891 1 785 . 1 1 281 281 ASP H H 1 8.098 0.02 . 1 . . . . 281 ASP HN . 25891 1 786 . 1 1 281 281 ASP CA C 13 57.754 0.1 . 1 . . . . 281 ASP CA . 25891 1 787 . 1 1 281 281 ASP N N 15 117.447 0.1 . 1 . . . . 281 ASP N . 25891 1 788 . 1 1 282 282 ARG H H 1 8.266 0.02 . 1 . . . . 282 ARG HN . 25891 1 789 . 1 1 282 282 ARG CA C 13 58.694 0.1 . 1 . . . . 282 ARG CA . 25891 1 790 . 1 1 282 282 ARG N N 15 117.983 0.1 . 1 . . . . 282 ARG N . 25891 1 791 . 1 1 283 283 VAL H H 1 8.464 0.02 . 1 . . . . 283 VAL HN . 25891 1 792 . 1 1 283 283 VAL CA C 13 66.290 0.1 . 1 . . . . 283 VAL CA . 25891 1 793 . 1 1 283 283 VAL N N 15 121.610 0.1 . 1 . . . . 283 VAL N . 25891 1 794 . 1 1 284 284 ALA H H 1 8.208 0.02 . 1 . . . . 284 ALA HN . 25891 1 795 . 1 1 284 284 ALA CA C 13 55.480 0.1 . 1 . . . . 284 ALA CA . 25891 1 796 . 1 1 284 284 ALA N N 15 120.608 0.1 . 1 . . . . 284 ALA N . 25891 1 797 . 1 1 285 285 ASP H H 1 7.567 0.02 . 1 . . . . 285 ASP HN . 25891 1 798 . 1 1 285 285 ASP CA C 13 56.867 0.1 . 1 . . . . 285 ASP CA . 25891 1 799 . 1 1 285 285 ASP N N 15 113.863 0.1 . 1 . . . . 285 ASP N . 25891 1 800 . 1 1 286 286 GLY H H 1 7.523 0.02 . 1 . . . . 286 GLY HN . 25891 1 801 . 1 1 286 286 GLY CA C 13 45.820 0.1 . 1 . . . . 286 GLY CA . 25891 1 802 . 1 1 286 286 GLY N N 15 105.349 0.1 . 1 . . . . 286 GLY N . 25891 1 803 . 1 1 287 287 MET H H 1 7.730 0.02 . 1 . . . . 287 MET HN . 25891 1 804 . 1 1 287 287 MET CA C 13 58.289 0.1 . 1 . . . . 287 MET CA . 25891 1 805 . 1 1 287 287 MET N N 15 117.669 0.1 . 1 . . . . 287 MET N . 25891 1 806 . 1 1 288 288 VAL H H 1 7.357 0.02 . 1 . . . . 288 VAL HN . 25891 1 807 . 1 1 288 288 VAL CA C 13 64.832 0.1 . 1 . . . . 288 VAL CA . 25891 1 808 . 1 1 288 288 VAL N N 15 115.316 0.1 . 1 . . . . 288 VAL N . 25891 1 809 . 1 1 289 289 PHE H H 1 7.835 0.02 . 1 . . . . 289 PHE HN . 25891 1 810 . 1 1 289 289 PHE CA C 13 57.965 0.1 . 1 . . . . 289 PHE CA . 25891 1 811 . 1 1 289 289 PHE N N 15 114.309 0.1 . 1 . . . . 289 PHE N . 25891 1 812 . 1 1 290 290 GLY H H 1 7.920 0.02 . 1 . . . . 290 GLY HN . 25891 1 813 . 1 1 290 290 GLY CA C 13 43.852 0.1 . 1 . . . . 290 GLY CA . 25891 1 814 . 1 1 290 290 GLY N N 15 108.547 0.1 . 1 . . . . 290 GLY N . 25891 1 815 . 1 1 291 291 ALA H H 1 8.404 0.02 . 1 . . . . 291 ALA HN . 25891 1 816 . 1 1 291 291 ALA CA C 13 51.177 0.1 . 1 . . . . 291 ALA CA . 25891 1 817 . 1 1 291 291 ALA N N 15 124.355 0.1 . 1 . . . . 291 ALA N . 25891 1 818 . 1 1 292 292 LEU H H 1 8.416 0.02 . 1 . . . . 292 LEU HN . 25891 1 819 . 1 1 292 292 LEU CA C 13 56.067 0.1 . 1 . . . . 292 LEU CA . 25891 1 820 . 1 1 292 292 LEU N N 15 125.324 0.1 . 1 . . . . 292 LEU N . 25891 1 821 . 1 1 293 293 LEU H H 1 7.733 0.02 . 1 . . . . 293 LEU HN . 25891 1 822 . 1 1 293 293 LEU CA C 13 52.810 0.1 . 1 . . . . 293 LEU CA . 25891 1 823 . 1 1 293 293 LEU N N 15 122.949 0.1 . 1 . . . . 293 LEU N . 25891 1 824 . 1 1 294 294 PRO CA C 13 62.364 0.1 . 1 . . . . 294 PRO CA . 25891 1 825 . 1 1 295 295 CYS H H 1 9.038 0.02 . 1 . . . . 295 CYS HN . 25891 1 826 . 1 1 295 295 CYS CA C 13 60.020 0.1 . 1 . . . . 295 CYS CA . 25891 1 827 . 1 1 295 295 CYS N N 15 124.987 0.1 . 1 . . . . 295 CYS N . 25891 1 828 . 1 1 296 296 GLU H H 1 8.876 0.02 . 1 . . . . 296 GLU HN . 25891 1 829 . 1 1 296 296 GLU CA C 13 58.316 0.1 . 1 . . . . 296 GLU CA . 25891 1 830 . 1 1 296 296 GLU N N 15 129.111 0.1 . 1 . . . . 296 GLU N . 25891 1 831 . 1 1 297 297 GLU H H 1 9.556 0.02 . 1 . . . . 297 GLU HN . 25891 1 832 . 1 1 297 297 GLU CA C 13 57.666 0.1 . 1 . . . . 297 GLU CA . 25891 1 833 . 1 1 297 297 GLU N N 15 120.824 0.1 . 1 . . . . 297 GLU N . 25891 1 834 . 1 1 298 298 CYS H H 1 8.508 0.02 . 1 . . . . 298 CYS HN . 25891 1 835 . 1 1 298 298 CYS CA C 13 58.532 0.1 . 1 . . . . 298 CYS CA . 25891 1 836 . 1 1 298 298 CYS N N 15 119.083 0.1 . 1 . . . . 298 CYS N . 25891 1 837 . 1 1 299 299 SER H H 1 7.965 0.02 . 1 . . . . 299 SER HN . 25891 1 838 . 1 1 299 299 SER CA C 13 61.100 0.1 . 1 . . . . 299 SER CA . 25891 1 839 . 1 1 299 299 SER N N 15 117.131 0.1 . 1 . . . . 299 SER N . 25891 1 840 . 1 1 300 300 GLY H H 1 10.006 0.02 . 1 . . . . 300 GLY HN . 25891 1 841 . 1 1 300 300 GLY CA C 13 43.027 0.1 . 1 . . . . 300 GLY CA . 25891 1 842 . 1 1 300 300 GLY N N 15 116.717 0.1 . 1 . . . . 300 GLY N . 25891 1 843 . 1 1 301 301 GLN H H 1 8.191 0.02 . 1 . . . . 301 GLN HN . 25891 1 844 . 1 1 301 301 GLN CA C 13 53.354 0.1 . 1 . . . . 301 GLN CA . 25891 1 845 . 1 1 301 301 GLN N N 15 117.043 0.1 . 1 . . . . 301 GLN N . 25891 1 846 . 1 1 302 302 LEU H H 1 10.006 0.02 . 1 . . . . 302 LEU HN . 25891 1 847 . 1 1 302 302 LEU CA C 13 55.716 0.1 . 1 . . . . 302 LEU CA . 25891 1 848 . 1 1 302 302 LEU N N 15 133.388 0.1 . 1 . . . . 302 LEU N . 25891 1 849 . 1 1 303 303 VAL H H 1 9.242 0.02 . 1 . . . . 303 VAL HN . 25891 1 850 . 1 1 303 303 VAL CA C 13 60.520 0.1 . 1 . . . . 303 VAL CA . 25891 1 851 . 1 1 303 303 VAL N N 15 118.121 0.1 . 1 . . . . 303 VAL N . 25891 1 852 . 1 1 304 304 PHE H H 1 9.117 0.02 . 1 . . . . 304 PHE HN . 25891 1 853 . 1 1 304 304 PHE CA C 13 59.036 0.1 . 1 . . . . 304 PHE CA . 25891 1 854 . 1 1 304 304 PHE N N 15 127.759 0.1 . 1 . . . . 304 PHE N . 25891 1 855 . 1 1 305 305 LYS H H 1 8.021 0.02 . 1 . . . . 305 LYS HN . 25891 1 856 . 1 1 305 305 LYS CA C 13 54.741 0.1 . 1 . . . . 305 LYS CA . 25891 1 857 . 1 1 305 305 LYS N N 15 129.398 0.1 . 1 . . . . 305 LYS N . 25891 1 858 . 1 1 306 306 SER H H 1 6.553 0.02 . 1 . . . . 306 SER HN . 25891 1 859 . 1 1 306 306 SER CA C 13 63.471 0.1 . 1 . . . . 306 SER CA . 25891 1 860 . 1 1 306 306 SER N N 15 111.453 0.1 . 1 . . . . 306 SER N . 25891 1 861 . 1 1 307 307 ASP H H 1 9.359 0.02 . 1 . . . . 307 ASP HN . 25891 1 862 . 1 1 307 307 ASP CA C 13 53.108 0.1 . 1 . . . . 307 ASP CA . 25891 1 863 . 1 1 307 307 ASP N N 15 119.764 0.1 . 1 . . . . 307 ASP N . 25891 1 864 . 1 1 308 308 ALA H H 1 7.513 0.02 . 1 . . . . 308 ALA HN . 25891 1 865 . 1 1 308 308 ALA CA C 13 51.334 0.1 . 1 . . . . 308 ALA CA . 25891 1 866 . 1 1 308 308 ALA N N 15 117.707 0.1 . 1 . . . . 308 ALA N . 25891 1 867 . 1 1 309 309 TYR H H 1 8.466 0.02 . 1 . . . . 309 TYR HN . 25891 1 868 . 1 1 309 309 TYR CA C 13 58.061 0.1 . 1 . . . . 309 TYR CA . 25891 1 869 . 1 1 309 309 TYR N N 15 116.209 0.1 . 1 . . . . 309 TYR N . 25891 1 870 . 1 1 310 310 TYR H H 1 9.225 0.02 . 1 . . . . 310 TYR HN . 25891 1 871 . 1 1 310 310 TYR CA C 13 55.998 0.1 . 1 . . . . 310 TYR CA . 25891 1 872 . 1 1 310 310 TYR N N 15 121.602 0.1 . 1 . . . . 310 TYR N . 25891 1 873 . 1 1 311 311 CYS H H 1 8.538 0.02 . 1 . . . . 311 CYS HN . 25891 1 874 . 1 1 311 311 CYS CA C 13 61.679 0.1 . 1 . . . . 311 CYS CA . 25891 1 875 . 1 1 311 311 CYS N N 15 124.372 0.1 . 1 . . . . 311 CYS N . 25891 1 876 . 1 1 312 312 THR H H 1 7.829 0.02 . 1 . . . . 312 THR HN . 25891 1 877 . 1 1 312 312 THR CA C 13 61.582 0.1 . 1 . . . . 312 THR CA . 25891 1 878 . 1 1 312 312 THR N N 15 118.121 0.1 . 1 . . . . 312 THR N . 25891 1 879 . 1 1 313 313 GLY H H 1 10.481 0.02 . 1 . . . . 313 GLY HN . 25891 1 880 . 1 1 313 313 GLY CA C 13 44.880 0.1 . 1 . . . . 313 GLY CA . 25891 1 881 . 1 1 313 313 GLY N N 15 120.180 0.1 . 1 . . . . 313 GLY N . 25891 1 882 . 1 1 314 314 ASP H H 1 8.199 0.02 . 1 . . . . 314 ASP HN . 25891 1 883 . 1 1 314 314 ASP CA C 13 53.635 0.1 . 1 . . . . 314 ASP CA . 25891 1 884 . 1 1 314 314 ASP N N 15 119.132 0.1 . 1 . . . . 314 ASP N . 25891 1 885 . 1 1 315 315 VAL H H 1 8.332 0.02 . 1 . . . . 315 VAL HN . 25891 1 886 . 1 1 315 315 VAL CA C 13 64.647 0.1 . 1 . . . . 315 VAL CA . 25891 1 887 . 1 1 315 315 VAL N N 15 123.141 0.1 . 1 . . . . 315 VAL N . 25891 1 888 . 1 1 316 316 THR H H 1 7.982 0.02 . 1 . . . . 316 THR HN . 25891 1 889 . 1 1 316 316 THR CA C 13 59.554 0.1 . 1 . . . . 316 THR CA . 25891 1 890 . 1 1 316 316 THR N N 15 109.459 0.1 . 1 . . . . 316 THR N . 25891 1 891 . 1 1 317 317 ALA H H 1 8.311 0.02 . 1 . . . . 317 ALA HN . 25891 1 892 . 1 1 317 317 ALA CA C 13 53.372 0.1 . 1 . . . . 317 ALA CA . 25891 1 893 . 1 1 317 317 ALA N N 15 120.272 0.1 . 1 . . . . 317 ALA N . 25891 1 894 . 1 1 318 318 TRP H H 1 7.761 0.02 . 1 . . . . 318 TRP HN . 25891 1 895 . 1 1 318 318 TRP HE1 H 1 10.139 0.02 . 1 . . . . 318 TRP HE1 . 25891 1 896 . 1 1 318 318 TRP CA C 13 57.123 0.1 . 1 . . . . 318 TRP CA . 25891 1 897 . 1 1 318 318 TRP N N 15 114.289 0.1 . 1 . . . . 318 TRP N . 25891 1 898 . 1 1 318 318 TRP NE1 N 15 128.982 0.1 . 1 . . . . 318 TRP NE1 . 25891 1 899 . 1 1 319 319 THR H H 1 7.382 0.02 . 1 . . . . 319 THR HN . 25891 1 900 . 1 1 319 319 THR CA C 13 60.914 0.1 . 1 . . . . 319 THR CA . 25891 1 901 . 1 1 319 319 THR N N 15 115.984 0.1 . 1 . . . . 319 THR N . 25891 1 902 . 1 1 320 320 LYS H H 1 8.565 0.02 . 1 . . . . 320 LYS HN . 25891 1 903 . 1 1 320 320 LYS CA C 13 54.680 0.1 . 1 . . . . 320 LYS CA . 25891 1 904 . 1 1 320 320 LYS N N 15 126.423 0.1 . 1 . . . . 320 LYS N . 25891 1 905 . 1 1 321 321 CYS H H 1 8.315 0.02 . 1 . . . . 321 CYS HN . 25891 1 906 . 1 1 321 321 CYS CA C 13 60.809 0.1 . 1 . . . . 321 CYS CA . 25891 1 907 . 1 1 321 321 CYS N N 15 124.592 0.1 . 1 . . . . 321 CYS N . 25891 1 908 . 1 1 322 322 MET H H 1 8.447 0.02 . 1 . . . . 322 MET HN . 25891 1 909 . 1 1 322 322 MET CA C 13 54.083 0.1 . 1 . . . . 322 MET CA . 25891 1 910 . 1 1 322 322 MET N N 15 125.138 0.1 . 1 . . . . 322 MET N . 25891 1 911 . 1 1 323 323 VAL H H 1 8.705 0.02 . 1 . . . . 323 VAL HN . 25891 1 912 . 1 1 323 323 VAL CA C 13 65.807 0.1 . 1 . . . . 323 VAL CA . 25891 1 913 . 1 1 323 323 VAL N N 15 125.543 0.1 . 1 . . . . 323 VAL N . 25891 1 914 . 1 1 324 324 LYS H H 1 7.832 0.02 . 1 . . . . 324 LYS HN . 25891 1 915 . 1 1 324 324 LYS CA C 13 54.267 0.1 . 1 . . . . 324 LYS CA . 25891 1 916 . 1 1 324 324 LYS N N 15 127.387 0.1 . 1 . . . . 324 LYS N . 25891 1 917 . 1 1 325 325 THR H H 1 9.201 0.02 . 1 . . . . 325 THR HN . 25891 1 918 . 1 1 325 325 THR CA C 13 59.290 0.1 . 1 . . . . 325 THR CA . 25891 1 919 . 1 1 325 325 THR N N 15 117.433 0.1 . 1 . . . . 325 THR N . 25891 1 920 . 1 1 326 326 GLN H H 1 9.038 0.02 . 1 . . . . 326 GLN HN . 25891 1 921 . 1 1 326 326 GLN CA C 13 56.340 0.1 . 1 . . . . 326 GLN CA . 25891 1 922 . 1 1 326 326 GLN N N 15 126.069 0.1 . 1 . . . . 326 GLN N . 25891 1 923 . 1 1 327 327 THR H H 1 8.855 0.02 . 1 . . . . 327 THR HN . 25891 1 924 . 1 1 327 327 THR CA C 13 57.113 0.1 . 1 . . . . 327 THR CA . 25891 1 925 . 1 1 327 327 THR N N 15 111.465 0.1 . 1 . . . . 327 THR N . 25891 1 926 . 1 1 328 328 PRO CA C 13 61.820 0.1 . 1 . . . . 328 PRO CA . 25891 1 927 . 1 1 329 329 ASN H H 1 8.390 0.02 . 1 . . . . 329 ASN HN . 25891 1 928 . 1 1 329 329 ASN CA C 13 53.442 0.1 . 1 . . . . 329 ASN CA . 25891 1 929 . 1 1 329 329 ASN N N 15 118.331 0.1 . 1 . . . . 329 ASN N . 25891 1 930 . 1 1 330 330 ARG H H 1 8.615 0.02 . 1 . . . . 330 ARG HN . 25891 1 931 . 1 1 330 330 ARG CA C 13 54.469 0.1 . 1 . . . . 330 ARG CA . 25891 1 932 . 1 1 330 330 ARG N N 15 122.182 0.1 . 1 . . . . 330 ARG N . 25891 1 933 . 1 1 331 331 LYS H H 1 9.167 0.02 . 1 . . . . 331 LYS HN . 25891 1 934 . 1 1 331 331 LYS CA C 13 53.733 0.1 . 1 . . . . 331 LYS CA . 25891 1 935 . 1 1 331 331 LYS N N 15 119.001 0.1 . 1 . . . . 331 LYS N . 25891 1 936 . 1 1 332 332 GLU H H 1 8.557 0.02 . 1 . . . . 332 GLU HN . 25891 1 937 . 1 1 332 332 GLU CA C 13 57.363 0.1 . 1 . . . . 332 GLU CA . 25891 1 938 . 1 1 332 332 GLU N N 15 119.888 0.1 . 1 . . . . 332 GLU N . 25891 1 939 . 1 1 333 333 TRP H H 1 9.114 0.02 . 1 . . . . 333 TRP HN . 25891 1 940 . 1 1 333 333 TRP CA C 13 57.545 0.1 . 1 . . . . 333 TRP CA . 25891 1 941 . 1 1 333 333 TRP N N 15 126.069 0.1 . 1 . . . . 333 TRP N . 25891 1 942 . 1 1 334 334 VAL H H 1 8.609 0.02 . 1 . . . . 334 VAL HN . 25891 1 943 . 1 1 334 334 VAL CA C 13 60.230 0.1 . 1 . . . . 334 VAL CA . 25891 1 944 . 1 1 334 334 VAL N N 15 128.186 0.1 . 1 . . . . 334 VAL N . 25891 1 945 . 1 1 335 335 THR H H 1 8.418 0.02 . 1 . . . . 335 THR HN . 25891 1 946 . 1 1 335 335 THR CA C 13 58.658 0.1 . 1 . . . . 335 THR CA . 25891 1 947 . 1 1 335 335 THR N N 15 119.510 0.1 . 1 . . . . 335 THR N . 25891 1 948 . 1 1 336 336 PRO CA C 13 62.083 0.1 . 1 . . . . 336 PRO CA . 25891 1 949 . 1 1 337 337 LYS H H 1 8.521 0.02 . 1 . . . . 337 LYS HN . 25891 1 950 . 1 1 337 337 LYS CA C 13 58.614 0.1 . 1 . . . . 337 LYS CA . 25891 1 951 . 1 1 337 337 LYS N N 15 122.417 0.1 . 1 . . . . 337 LYS N . 25891 1 952 . 1 1 338 338 GLU H H 1 8.871 0.02 . 1 . . . . 338 GLU HN . 25891 1 953 . 1 1 338 338 GLU CA C 13 57.534 0.1 . 1 . . . . 338 GLU CA . 25891 1 954 . 1 1 338 338 GLU N N 15 116.623 0.1 . 1 . . . . 338 GLU N . 25891 1 955 . 1 1 339 339 PHE H H 1 7.692 0.02 . 1 . . . . 339 PHE HN . 25891 1 956 . 1 1 339 339 PHE CA C 13 57.561 0.1 . 1 . . . . 339 PHE CA . 25891 1 957 . 1 1 339 339 PHE N N 15 120.176 0.1 . 1 . . . . 339 PHE N . 25891 1 958 . 1 1 340 340 ARG H H 1 7.587 0.02 . 1 . . . . 340 ARG HN . 25891 1 959 . 1 1 340 340 ARG CA C 13 56.945 0.1 . 1 . . . . 340 ARG CA . 25891 1 960 . 1 1 340 340 ARG N N 15 122.532 0.1 . 1 . . . . 340 ARG N . 25891 1 961 . 1 1 341 341 GLU H H 1 8.085 0.02 . 1 . . . . 341 GLU HN . 25891 1 962 . 1 1 341 341 GLU CA C 13 57.279 0.1 . 1 . . . . 341 GLU CA . 25891 1 963 . 1 1 341 341 GLU N N 15 118.361 0.1 . 1 . . . . 341 GLU N . 25891 1 964 . 1 1 342 342 ILE H H 1 7.864 0.02 . 1 . . . . 342 ILE HN . 25891 1 965 . 1 1 342 342 ILE CA C 13 60.467 0.1 . 1 . . . . 342 ILE CA . 25891 1 966 . 1 1 342 342 ILE N N 15 121.699 0.1 . 1 . . . . 342 ILE N . 25891 1 967 . 1 1 344 344 TYR H H 1 8.310 0.02 . 1 . . . . 344 TYR HN . 25891 1 968 . 1 1 344 344 TYR CA C 13 60.642 0.1 . 1 . . . . 344 TYR CA . 25891 1 969 . 1 1 344 344 TYR N N 15 120.249 0.1 . 1 . . . . 344 TYR N . 25891 1 970 . 1 1 345 345 LEU H H 1 7.279 0.02 . 1 . . . . 345 LEU HN . 25891 1 971 . 1 1 345 345 LEU CA C 13 56.191 0.1 . 1 . . . . 345 LEU CA . 25891 1 972 . 1 1 345 345 LEU N N 15 115.513 0.1 . 1 . . . . 345 LEU N . 25891 1 973 . 1 1 346 346 LYS H H 1 7.856 0.02 . 1 . . . . 346 LYS HN . 25891 1 974 . 1 1 346 346 LYS CA C 13 58.148 0.1 . 1 . . . . 346 LYS CA . 25891 1 975 . 1 1 346 346 LYS N N 15 119.001 0.1 . 1 . . . . 346 LYS N . 25891 1 976 . 1 1 347 347 LYS H H 1 7.593 0.02 . 1 . . . . 347 LYS HN . 25891 1 977 . 1 1 347 347 LYS CA C 13 56.665 0.1 . 1 . . . . 347 LYS CA . 25891 1 978 . 1 1 347 347 LYS N N 15 116.441 0.1 . 1 . . . . 347 LYS N . 25891 1 979 . 1 1 348 348 LEU H H 1 7.362 0.02 . 1 . . . . 348 LEU HN . 25891 1 980 . 1 1 348 348 LEU CA C 13 55.058 0.1 . 1 . . . . 348 LEU CA . 25891 1 981 . 1 1 348 348 LEU N N 15 119.823 0.1 . 1 . . . . 348 LEU N . 25891 1 982 . 1 1 349 349 LYS H H 1 7.995 0.02 . 1 . . . . 349 LYS HN . 25891 1 983 . 1 1 349 349 LYS CA C 13 55.945 0.1 . 1 . . . . 349 LYS CA . 25891 1 984 . 1 1 349 349 LYS N N 15 121.380 0.1 . 1 . . . . 349 LYS N . 25891 1 985 . 1 1 350 350 VAL H H 1 7.886 0.02 . 1 . . . . 350 VAL HN . 25891 1 986 . 1 1 350 350 VAL CA C 13 61.459 0.1 . 1 . . . . 350 VAL CA . 25891 1 987 . 1 1 350 350 VAL N N 15 119.593 0.1 . 1 . . . . 350 VAL N . 25891 1 988 . 1 1 351 351 LYS H H 1 8.236 0.02 . 1 . . . . 351 LYS HN . 25891 1 989 . 1 1 351 351 LYS CA C 13 55.435 0.1 . 1 . . . . 351 LYS CA . 25891 1 990 . 1 1 351 351 LYS N N 15 124.522 0.1 . 1 . . . . 351 LYS N . 25891 1 991 . 1 1 352 352 LYS H H 1 8.246 0.02 . 1 . . . . 352 LYS HN . 25891 1 992 . 1 1 352 352 LYS CA C 13 56.349 0.1 . 1 . . . . 352 LYS CA . 25891 1 993 . 1 1 352 352 LYS N N 15 123.002 0.1 . 1 . . . . 352 LYS N . 25891 1 994 . 1 1 353 353 GLN H H 1 8.598 0.02 . 1 . . . . 353 GLN HN . 25891 1 995 . 1 1 353 353 GLN CA C 13 54.355 0.1 . 1 . . . . 353 GLN CA . 25891 1 996 . 1 1 353 353 GLN N N 15 122.318 0.1 . 1 . . . . 353 GLN N . 25891 1 997 . 1 1 354 354 ASP H H 1 8.267 0.02 . 1 . . . . 354 ASP HN . 25891 1 998 . 1 1 354 354 ASP CA C 13 53.073 0.1 . 1 . . . . 354 ASP CA . 25891 1 999 . 1 1 354 354 ASP N N 15 119.023 0.1 . 1 . . . . 354 ASP N . 25891 1 1000 . 1 1 355 355 ARG H H 1 8.296 0.02 . 1 . . . . 355 ARG HN . 25891 1 1001 . 1 1 355 355 ARG CA C 13 56.331 0.1 . 1 . . . . 355 ARG CA . 25891 1 1002 . 1 1 355 355 ARG N N 15 124.084 0.1 . 1 . . . . 355 ARG N . 25891 1 1003 . 1 1 356 356 ILE H H 1 8.832 0.02 . 1 . . . . 356 ILE HN . 25891 1 1004 . 1 1 356 356 ILE CA C 13 60.221 0.1 . 1 . . . . 356 ILE CA . 25891 1 1005 . 1 1 356 356 ILE N N 15 127.267 0.1 . 1 . . . . 356 ILE N . 25891 1 1006 . 1 1 357 357 PHE H H 1 8.684 0.02 . 1 . . . . 357 PHE HN . 25891 1 1007 . 1 1 357 357 PHE CA C 13 55.532 0.1 . 1 . . . . 357 PHE CA . 25891 1 1008 . 1 1 357 357 PHE N N 15 125.060 0.1 . 1 . . . . 357 PHE N . 25891 1 1009 . 1 1 359 359 PRO CA C 13 62.575 0.1 . 1 . . . . 359 PRO CA . 25891 1 1010 . 1 1 360 360 GLU H H 1 8.610 0.02 . 1 . . . . 360 GLU HN . 25891 1 1011 . 1 1 360 360 GLU CA C 13 56.383 0.1 . 1 . . . . 360 GLU CA . 25891 1 1012 . 1 1 360 360 GLU N N 15 120.707 0.1 . 1 . . . . 360 GLU N . 25891 1 1013 . 1 1 361 361 THR H H 1 8.247 0.02 . 1 . . . . 361 THR HN . 25891 1 1014 . 1 1 361 361 THR CA C 13 61.231 0.1 . 1 . . . . 361 THR CA . 25891 1 1015 . 1 1 361 361 THR N N 15 114.786 0.1 . 1 . . . . 361 THR N . 25891 1 1016 . 1 1 362 362 SER H H 1 8.008 0.02 . 1 . . . . 362 SER HN . 25891 1 1017 . 1 1 362 362 SER CA C 13 59.677 0.1 . 1 . . . . 362 SER CA . 25891 1 1018 . 1 1 362 362 SER N N 15 123.352 0.1 . 1 . . . . 362 SER N . 25891 1 stop_ save_