data_25894 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 25894 _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' . . 25894 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' 25894 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' . 25894 1 1 25889 'F1F2 free' . 25894 1 1 25890 'DNA free' . 25894 1 1 25891 'F1F2F3-DNA complex' . 25894 1 1 25892 'F1F2F3 free' . 25894 1 1 25893 'F3 free' . 25894 1 1 25894 'F1F2F3-WGR-DNA complex' . 25894 1 1 25895 'WGR free' . 25894 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25894 _Entry.Title ; 1H and 15N chemical shift assignments for PARP-1 F1F2F3 domains in complex with PARP-1 WGR domain and 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 . . . . 25894 2 Sebastian Eustermann . . . . 25894 3 Ji-Chun Yang . . . . 25894 4 Wing-Fung Wu . . . . 25894 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' . 25894 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN/DNA . 25894 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25894 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 444 25894 '1H chemical shifts' 444 25894 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.' 25894 2 . . 2016-07-22 2015-11-11 update BMRB 'update entry citation' 25894 1 . . 2015-11-25 2015-11-11 original author 'original release' 25894 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25888 'F1F2-DNA complex' 25894 BMRB 25889 'F1F2 free' 25894 BMRB 25890 'DNA free' 25894 BMRB 25891 'F1F2F3-DNA complex' 25894 BMRB 25892 'F1F2F3 free' 25894 BMRB 25893 'F3 free' 25894 BMRB 25895 'WGR free' 25894 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25894 _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 . . . . 25894 1 2 Wing-Fung Wu . . . . 25894 1 3 Marie-France Langelier . . . . 25894 1 4 Ji-Chun Yang . . . . 25894 1 5 Laura Easton . E. . . 25894 1 6 Amanda Riccio . . . . 25894 1 7 John Pascal . M. . . 25894 1 8 David Neuhaus . . . . 25894 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_f1f2f3_wga_dna_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_f1f2f3_wga_dna_complex _Assembly.Entry_ID 25894 _Assembly.ID 1 _Assembly.Name PARP-1_F1F2F3-WGR-DNA_complex _Assembly.BMRB_code . _Assembly.Number_of_components 6 _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 . . . 25894 1 2 PARP-1_525-645 2 $PARP-1_525-645 B . yes native no no . . . 25894 1 3 'DNA (45-MER)' 3 $DNA_(45-MER) C . no native no no . . . 25894 1 4 ZN1 4 $entity_ZN A . no native no no . . . 25894 1 5 ZN2 4 $entity_ZN A . no native no no . . . 25894 1 6 ZN3 4 $entity_ZN A . no native no no . . . 25894 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 . 4 ZN1 4 ZN 1 1 ZN . PARP-1_1-362 21 CYS SG . ZN1 . . ZN 25894 1 2 'metal coordination' single . 1 PARP-1_1-362 1 CYS 24 24 SG . 4 ZN1 4 ZN 1 1 ZN . PARP-1_1-362 24 CYS SG . ZN1 . . ZN 25894 1 3 'metal coordination' single . 1 PARP-1_1-362 1 HIS 53 53 ND1 . 4 ZN1 4 ZN 1 1 ZN . PARP-1_1-362 53 HIS ND1 . ZN1 . . ZN 25894 1 4 'metal coordination' single . 1 PARP-1_1-362 1 CYS 56 56 SG . 4 ZN1 4 ZN 1 1 ZN . PARP-1_1-362 56 CYS SG . ZN1 . . ZN 25894 1 5 'metal coordination' single . 1 PARP-1_1-362 1 CYS 125 125 SG . 5 ZN2 4 ZN 1 1 ZN . PARP-1_1-362 125 CYS SG . ZN2 . . ZN 25894 1 6 'metal coordination' single . 1 PARP-1_1-362 1 CYS 128 128 SG . 5 ZN2 4 ZN 1 1 ZN . PARP-1_1-362 128 CYS SG . ZN2 . . ZN 25894 1 7 'metal coordination' single . 1 PARP-1_1-362 1 HIS 159 159 ND1 . 5 ZN2 4 ZN 1 1 ZN . PARP-1_1-362 159 HIS ND1 . ZN2 . . ZN 25894 1 8 'metal coordination' single . 1 PARP-1_1-362 1 CYS 162 162 SG . 5 ZN2 4 ZN 1 1 ZN . PARP-1_1-362 162 CYS SG . ZN2 . . ZN 25894 1 9 'metal coordination' single . 1 PARP-1_1-362 1 CYS 295 295 SG . 6 ZN3 4 ZN 1 1 ZN . PARP-1_1-362 295 CYS SG . ZN3 . . ZN 25894 1 10 'metal coordination' single . 1 PARP-1_1-362 1 CYS 298 298 SG . 6 ZN3 4 ZN 1 1 ZN . PARP-1_1-362 298 CYS SG . ZN3 . . ZN 25894 1 11 'metal coordination' single . 1 PARP-1_1-362 1 CYS 311 311 SG . 6 ZN3 4 ZN 1 1 ZN . PARP-1_1-362 311 CYS SG . ZN3 . . ZN 25894 1 12 'metal coordination' single . 1 PARP-1_1-362 1 CYS 321 321 SG . 6 ZN3 4 ZN 1 1 ZN . PARP-1_1-362 321 CYS SG . ZN3 . . ZN 25894 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 25894 _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 . 25894 1 2 2 ALA . 25894 1 3 3 GLU . 25894 1 4 4 SER . 25894 1 5 5 SER . 25894 1 6 6 ASP . 25894 1 7 7 LYS . 25894 1 8 8 LEU . 25894 1 9 9 TYR . 25894 1 10 10 ARG . 25894 1 11 11 VAL . 25894 1 12 12 GLU . 25894 1 13 13 TYR . 25894 1 14 14 ALA . 25894 1 15 15 LYS . 25894 1 16 16 SER . 25894 1 17 17 GLY . 25894 1 18 18 ARG . 25894 1 19 19 ALA . 25894 1 20 20 SER . 25894 1 21 21 CYS . 25894 1 22 22 LYS . 25894 1 23 23 LYS . 25894 1 24 24 CYS . 25894 1 25 25 SER . 25894 1 26 26 GLU . 25894 1 27 27 SER . 25894 1 28 28 ILE . 25894 1 29 29 PRO . 25894 1 30 30 LYS . 25894 1 31 31 ASP . 25894 1 32 32 SER . 25894 1 33 33 LEU . 25894 1 34 34 ARG . 25894 1 35 35 MET . 25894 1 36 36 ALA . 25894 1 37 37 ILE . 25894 1 38 38 MET . 25894 1 39 39 VAL . 25894 1 40 40 GLN . 25894 1 41 41 SER . 25894 1 42 42 PRO . 25894 1 43 43 MET . 25894 1 44 44 PHE . 25894 1 45 45 ASP . 25894 1 46 46 GLY . 25894 1 47 47 LYS . 25894 1 48 48 VAL . 25894 1 49 49 PRO . 25894 1 50 50 HIS . 25894 1 51 51 TRP . 25894 1 52 52 TYR . 25894 1 53 53 HIS . 25894 1 54 54 PHE . 25894 1 55 55 SER . 25894 1 56 56 CYS . 25894 1 57 57 PHE . 25894 1 58 58 TRP . 25894 1 59 59 LYS . 25894 1 60 60 VAL . 25894 1 61 61 GLY . 25894 1 62 62 HIS . 25894 1 63 63 SER . 25894 1 64 64 ILE . 25894 1 65 65 ARG . 25894 1 66 66 HIS . 25894 1 67 67 PRO . 25894 1 68 68 ASP . 25894 1 69 69 VAL . 25894 1 70 70 GLU . 25894 1 71 71 VAL . 25894 1 72 72 ASP . 25894 1 73 73 GLY . 25894 1 74 74 PHE . 25894 1 75 75 SER . 25894 1 76 76 GLU . 25894 1 77 77 LEU . 25894 1 78 78 ARG . 25894 1 79 79 TRP . 25894 1 80 80 ASP . 25894 1 81 81 ASP . 25894 1 82 82 GLN . 25894 1 83 83 GLN . 25894 1 84 84 LYS . 25894 1 85 85 VAL . 25894 1 86 86 LYS . 25894 1 87 87 LYS . 25894 1 88 88 THR . 25894 1 89 89 ALA . 25894 1 90 90 GLU . 25894 1 91 91 ALA . 25894 1 92 92 GLY . 25894 1 93 93 GLY . 25894 1 94 94 VAL . 25894 1 95 95 THR . 25894 1 96 96 GLY . 25894 1 97 97 LYS . 25894 1 98 98 GLY . 25894 1 99 99 GLN . 25894 1 100 100 ASP . 25894 1 101 101 GLY . 25894 1 102 102 ILE . 25894 1 103 103 GLY . 25894 1 104 104 SER . 25894 1 105 105 LYS . 25894 1 106 106 ALA . 25894 1 107 107 GLU . 25894 1 108 108 LYS . 25894 1 109 109 THR . 25894 1 110 110 LEU . 25894 1 111 111 GLY . 25894 1 112 112 ASP . 25894 1 113 113 PHE . 25894 1 114 114 ALA . 25894 1 115 115 ALA . 25894 1 116 116 GLU . 25894 1 117 117 TYR . 25894 1 118 118 ALA . 25894 1 119 119 LYS . 25894 1 120 120 SER . 25894 1 121 121 ASN . 25894 1 122 122 ARG . 25894 1 123 123 SER . 25894 1 124 124 THR . 25894 1 125 125 CYS . 25894 1 126 126 LYS . 25894 1 127 127 GLY . 25894 1 128 128 CYS . 25894 1 129 129 MET . 25894 1 130 130 GLU . 25894 1 131 131 LYS . 25894 1 132 132 ILE . 25894 1 133 133 GLU . 25894 1 134 134 LYS . 25894 1 135 135 GLY . 25894 1 136 136 GLN . 25894 1 137 137 VAL . 25894 1 138 138 ARG . 25894 1 139 139 LEU . 25894 1 140 140 SER . 25894 1 141 141 LYS . 25894 1 142 142 LYS . 25894 1 143 143 MET . 25894 1 144 144 VAL . 25894 1 145 145 ASP . 25894 1 146 146 PRO . 25894 1 147 147 GLU . 25894 1 148 148 LYS . 25894 1 149 149 PRO . 25894 1 150 150 GLN . 25894 1 151 151 LEU . 25894 1 152 152 GLY . 25894 1 153 153 MET . 25894 1 154 154 ILE . 25894 1 155 155 ASP . 25894 1 156 156 ARG . 25894 1 157 157 TRP . 25894 1 158 158 TYR . 25894 1 159 159 HIS . 25894 1 160 160 PRO . 25894 1 161 161 GLY . 25894 1 162 162 CYS . 25894 1 163 163 PHE . 25894 1 164 164 VAL . 25894 1 165 165 LYS . 25894 1 166 166 ASN . 25894 1 167 167 ARG . 25894 1 168 168 GLU . 25894 1 169 169 GLU . 25894 1 170 170 LEU . 25894 1 171 171 GLY . 25894 1 172 172 PHE . 25894 1 173 173 ARG . 25894 1 174 174 PRO . 25894 1 175 175 GLU . 25894 1 176 176 TYR . 25894 1 177 177 SER . 25894 1 178 178 ALA . 25894 1 179 179 SER . 25894 1 180 180 GLN . 25894 1 181 181 LEU . 25894 1 182 182 LYS . 25894 1 183 183 GLY . 25894 1 184 184 PHE . 25894 1 185 185 SER . 25894 1 186 186 LEU . 25894 1 187 187 LEU . 25894 1 188 188 ALA . 25894 1 189 189 THR . 25894 1 190 190 GLU . 25894 1 191 191 ASP . 25894 1 192 192 LYS . 25894 1 193 193 GLU . 25894 1 194 194 ALA . 25894 1 195 195 LEU . 25894 1 196 196 LYS . 25894 1 197 197 LYS . 25894 1 198 198 GLN . 25894 1 199 199 LEU . 25894 1 200 200 PRO . 25894 1 201 201 GLY . 25894 1 202 202 VAL . 25894 1 203 203 LYS . 25894 1 204 204 SER . 25894 1 205 205 GLU . 25894 1 206 206 GLY . 25894 1 207 207 LYS . 25894 1 208 208 ARG . 25894 1 209 209 LYS . 25894 1 210 210 GLY . 25894 1 211 211 ASP . 25894 1 212 212 GLU . 25894 1 213 213 VAL . 25894 1 214 214 ASP . 25894 1 215 215 GLY . 25894 1 216 216 VAL . 25894 1 217 217 ASP . 25894 1 218 218 GLU . 25894 1 219 219 VAL . 25894 1 220 220 ALA . 25894 1 221 221 LYS . 25894 1 222 222 LYS . 25894 1 223 223 LYS . 25894 1 224 224 SER . 25894 1 225 225 LYS . 25894 1 226 226 LYS . 25894 1 227 227 GLU . 25894 1 228 228 LYS . 25894 1 229 229 ASP . 25894 1 230 230 LYS . 25894 1 231 231 ASP . 25894 1 232 232 SER . 25894 1 233 233 LYS . 25894 1 234 234 LEU . 25894 1 235 235 GLU . 25894 1 236 236 LYS . 25894 1 237 237 ALA . 25894 1 238 238 LEU . 25894 1 239 239 LYS . 25894 1 240 240 ALA . 25894 1 241 241 GLN . 25894 1 242 242 ASN . 25894 1 243 243 ASP . 25894 1 244 244 LEU . 25894 1 245 245 ILE . 25894 1 246 246 TRP . 25894 1 247 247 ASN . 25894 1 248 248 ILE . 25894 1 249 249 LYS . 25894 1 250 250 ASP . 25894 1 251 251 GLU . 25894 1 252 252 LEU . 25894 1 253 253 LYS . 25894 1 254 254 LYS . 25894 1 255 255 VAL . 25894 1 256 256 CYS . 25894 1 257 257 SER . 25894 1 258 258 THR . 25894 1 259 259 ASN . 25894 1 260 260 ASP . 25894 1 261 261 LEU . 25894 1 262 262 LYS . 25894 1 263 263 GLU . 25894 1 264 264 LEU . 25894 1 265 265 LEU . 25894 1 266 266 ILE . 25894 1 267 267 PHE . 25894 1 268 268 ASN . 25894 1 269 269 LYS . 25894 1 270 270 GLN . 25894 1 271 271 GLN . 25894 1 272 272 VAL . 25894 1 273 273 PRO . 25894 1 274 274 SER . 25894 1 275 275 GLY . 25894 1 276 276 GLU . 25894 1 277 277 SER . 25894 1 278 278 ALA . 25894 1 279 279 ILE . 25894 1 280 280 LEU . 25894 1 281 281 ASP . 25894 1 282 282 ARG . 25894 1 283 283 VAL . 25894 1 284 284 ALA . 25894 1 285 285 ASP . 25894 1 286 286 GLY . 25894 1 287 287 MET . 25894 1 288 288 VAL . 25894 1 289 289 PHE . 25894 1 290 290 GLY . 25894 1 291 291 ALA . 25894 1 292 292 LEU . 25894 1 293 293 LEU . 25894 1 294 294 PRO . 25894 1 295 295 CYS . 25894 1 296 296 GLU . 25894 1 297 297 GLU . 25894 1 298 298 CYS . 25894 1 299 299 SER . 25894 1 300 300 GLY . 25894 1 301 301 GLN . 25894 1 302 302 LEU . 25894 1 303 303 VAL . 25894 1 304 304 PHE . 25894 1 305 305 LYS . 25894 1 306 306 SER . 25894 1 307 307 ASP . 25894 1 308 308 ALA . 25894 1 309 309 TYR . 25894 1 310 310 TYR . 25894 1 311 311 CYS . 25894 1 312 312 THR . 25894 1 313 313 GLY . 25894 1 314 314 ASP . 25894 1 315 315 VAL . 25894 1 316 316 THR . 25894 1 317 317 ALA . 25894 1 318 318 TRP . 25894 1 319 319 THR . 25894 1 320 320 LYS . 25894 1 321 321 CYS . 25894 1 322 322 MET . 25894 1 323 323 VAL . 25894 1 324 324 LYS . 25894 1 325 325 THR . 25894 1 326 326 GLN . 25894 1 327 327 THR . 25894 1 328 328 PRO . 25894 1 329 329 ASN . 25894 1 330 330 ARG . 25894 1 331 331 LYS . 25894 1 332 332 GLU . 25894 1 333 333 TRP . 25894 1 334 334 VAL . 25894 1 335 335 THR . 25894 1 336 336 PRO . 25894 1 337 337 LYS . 25894 1 338 338 GLU . 25894 1 339 339 PHE . 25894 1 340 340 ARG . 25894 1 341 341 GLU . 25894 1 342 342 ILE . 25894 1 343 343 SER . 25894 1 344 344 TYR . 25894 1 345 345 LEU . 25894 1 346 346 LYS . 25894 1 347 347 LYS . 25894 1 348 348 LEU . 25894 1 349 349 LYS . 25894 1 350 350 VAL . 25894 1 351 351 LYS . 25894 1 352 352 LYS . 25894 1 353 353 GLN . 25894 1 354 354 ASP . 25894 1 355 355 ARG . 25894 1 356 356 ILE . 25894 1 357 357 PHE . 25894 1 358 358 PRO . 25894 1 359 359 PRO . 25894 1 360 360 GLU . 25894 1 361 361 THR . 25894 1 362 362 SER . 25894 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 25894 1 . ALA 2 2 25894 1 . GLU 3 3 25894 1 . SER 4 4 25894 1 . SER 5 5 25894 1 . ASP 6 6 25894 1 . LYS 7 7 25894 1 . LEU 8 8 25894 1 . TYR 9 9 25894 1 . ARG 10 10 25894 1 . VAL 11 11 25894 1 . GLU 12 12 25894 1 . TYR 13 13 25894 1 . ALA 14 14 25894 1 . LYS 15 15 25894 1 . SER 16 16 25894 1 . GLY 17 17 25894 1 . ARG 18 18 25894 1 . ALA 19 19 25894 1 . SER 20 20 25894 1 . CYS 21 21 25894 1 . LYS 22 22 25894 1 . LYS 23 23 25894 1 . CYS 24 24 25894 1 . SER 25 25 25894 1 . GLU 26 26 25894 1 . SER 27 27 25894 1 . ILE 28 28 25894 1 . PRO 29 29 25894 1 . LYS 30 30 25894 1 . ASP 31 31 25894 1 . SER 32 32 25894 1 . LEU 33 33 25894 1 . ARG 34 34 25894 1 . MET 35 35 25894 1 . ALA 36 36 25894 1 . ILE 37 37 25894 1 . MET 38 38 25894 1 . VAL 39 39 25894 1 . GLN 40 40 25894 1 . SER 41 41 25894 1 . PRO 42 42 25894 1 . MET 43 43 25894 1 . PHE 44 44 25894 1 . ASP 45 45 25894 1 . GLY 46 46 25894 1 . LYS 47 47 25894 1 . VAL 48 48 25894 1 . PRO 49 49 25894 1 . HIS 50 50 25894 1 . TRP 51 51 25894 1 . TYR 52 52 25894 1 . HIS 53 53 25894 1 . PHE 54 54 25894 1 . SER 55 55 25894 1 . CYS 56 56 25894 1 . PHE 57 57 25894 1 . TRP 58 58 25894 1 . LYS 59 59 25894 1 . VAL 60 60 25894 1 . GLY 61 61 25894 1 . HIS 62 62 25894 1 . SER 63 63 25894 1 . ILE 64 64 25894 1 . ARG 65 65 25894 1 . HIS 66 66 25894 1 . PRO 67 67 25894 1 . ASP 68 68 25894 1 . VAL 69 69 25894 1 . GLU 70 70 25894 1 . VAL 71 71 25894 1 . ASP 72 72 25894 1 . GLY 73 73 25894 1 . PHE 74 74 25894 1 . SER 75 75 25894 1 . GLU 76 76 25894 1 . LEU 77 77 25894 1 . ARG 78 78 25894 1 . TRP 79 79 25894 1 . ASP 80 80 25894 1 . ASP 81 81 25894 1 . GLN 82 82 25894 1 . GLN 83 83 25894 1 . LYS 84 84 25894 1 . VAL 85 85 25894 1 . LYS 86 86 25894 1 . LYS 87 87 25894 1 . THR 88 88 25894 1 . ALA 89 89 25894 1 . GLU 90 90 25894 1 . ALA 91 91 25894 1 . GLY 92 92 25894 1 . GLY 93 93 25894 1 . VAL 94 94 25894 1 . THR 95 95 25894 1 . GLY 96 96 25894 1 . LYS 97 97 25894 1 . GLY 98 98 25894 1 . GLN 99 99 25894 1 . ASP 100 100 25894 1 . GLY 101 101 25894 1 . ILE 102 102 25894 1 . GLY 103 103 25894 1 . SER 104 104 25894 1 . LYS 105 105 25894 1 . ALA 106 106 25894 1 . GLU 107 107 25894 1 . LYS 108 108 25894 1 . THR 109 109 25894 1 . LEU 110 110 25894 1 . GLY 111 111 25894 1 . ASP 112 112 25894 1 . PHE 113 113 25894 1 . ALA 114 114 25894 1 . ALA 115 115 25894 1 . GLU 116 116 25894 1 . TYR 117 117 25894 1 . ALA 118 118 25894 1 . LYS 119 119 25894 1 . SER 120 120 25894 1 . ASN 121 121 25894 1 . ARG 122 122 25894 1 . SER 123 123 25894 1 . THR 124 124 25894 1 . CYS 125 125 25894 1 . LYS 126 126 25894 1 . GLY 127 127 25894 1 . CYS 128 128 25894 1 . MET 129 129 25894 1 . GLU 130 130 25894 1 . LYS 131 131 25894 1 . ILE 132 132 25894 1 . GLU 133 133 25894 1 . LYS 134 134 25894 1 . GLY 135 135 25894 1 . GLN 136 136 25894 1 . VAL 137 137 25894 1 . ARG 138 138 25894 1 . LEU 139 139 25894 1 . SER 140 140 25894 1 . LYS 141 141 25894 1 . LYS 142 142 25894 1 . MET 143 143 25894 1 . VAL 144 144 25894 1 . ASP 145 145 25894 1 . PRO 146 146 25894 1 . GLU 147 147 25894 1 . LYS 148 148 25894 1 . PRO 149 149 25894 1 . GLN 150 150 25894 1 . LEU 151 151 25894 1 . GLY 152 152 25894 1 . MET 153 153 25894 1 . ILE 154 154 25894 1 . ASP 155 155 25894 1 . ARG 156 156 25894 1 . TRP 157 157 25894 1 . TYR 158 158 25894 1 . HIS 159 159 25894 1 . PRO 160 160 25894 1 . GLY 161 161 25894 1 . CYS 162 162 25894 1 . PHE 163 163 25894 1 . VAL 164 164 25894 1 . LYS 165 165 25894 1 . ASN 166 166 25894 1 . ARG 167 167 25894 1 . GLU 168 168 25894 1 . GLU 169 169 25894 1 . LEU 170 170 25894 1 . GLY 171 171 25894 1 . PHE 172 172 25894 1 . ARG 173 173 25894 1 . PRO 174 174 25894 1 . GLU 175 175 25894 1 . TYR 176 176 25894 1 . SER 177 177 25894 1 . ALA 178 178 25894 1 . SER 179 179 25894 1 . GLN 180 180 25894 1 . LEU 181 181 25894 1 . LYS 182 182 25894 1 . GLY 183 183 25894 1 . PHE 184 184 25894 1 . SER 185 185 25894 1 . LEU 186 186 25894 1 . LEU 187 187 25894 1 . ALA 188 188 25894 1 . THR 189 189 25894 1 . GLU 190 190 25894 1 . ASP 191 191 25894 1 . LYS 192 192 25894 1 . GLU 193 193 25894 1 . ALA 194 194 25894 1 . LEU 195 195 25894 1 . LYS 196 196 25894 1 . LYS 197 197 25894 1 . GLN 198 198 25894 1 . LEU 199 199 25894 1 . PRO 200 200 25894 1 . GLY 201 201 25894 1 . VAL 202 202 25894 1 . LYS 203 203 25894 1 . SER 204 204 25894 1 . GLU 205 205 25894 1 . GLY 206 206 25894 1 . LYS 207 207 25894 1 . ARG 208 208 25894 1 . LYS 209 209 25894 1 . GLY 210 210 25894 1 . ASP 211 211 25894 1 . GLU 212 212 25894 1 . VAL 213 213 25894 1 . ASP 214 214 25894 1 . GLY 215 215 25894 1 . VAL 216 216 25894 1 . ASP 217 217 25894 1 . GLU 218 218 25894 1 . VAL 219 219 25894 1 . ALA 220 220 25894 1 . LYS 221 221 25894 1 . LYS 222 222 25894 1 . LYS 223 223 25894 1 . SER 224 224 25894 1 . LYS 225 225 25894 1 . LYS 226 226 25894 1 . GLU 227 227 25894 1 . LYS 228 228 25894 1 . ASP 229 229 25894 1 . LYS 230 230 25894 1 . ASP 231 231 25894 1 . SER 232 232 25894 1 . LYS 233 233 25894 1 . LEU 234 234 25894 1 . GLU 235 235 25894 1 . LYS 236 236 25894 1 . ALA 237 237 25894 1 . LEU 238 238 25894 1 . LYS 239 239 25894 1 . ALA 240 240 25894 1 . GLN 241 241 25894 1 . ASN 242 242 25894 1 . ASP 243 243 25894 1 . LEU 244 244 25894 1 . ILE 245 245 25894 1 . TRP 246 246 25894 1 . ASN 247 247 25894 1 . ILE 248 248 25894 1 . LYS 249 249 25894 1 . ASP 250 250 25894 1 . GLU 251 251 25894 1 . LEU 252 252 25894 1 . LYS 253 253 25894 1 . LYS 254 254 25894 1 . VAL 255 255 25894 1 . CYS 256 256 25894 1 . SER 257 257 25894 1 . THR 258 258 25894 1 . ASN 259 259 25894 1 . ASP 260 260 25894 1 . LEU 261 261 25894 1 . LYS 262 262 25894 1 . GLU 263 263 25894 1 . LEU 264 264 25894 1 . LEU 265 265 25894 1 . ILE 266 266 25894 1 . PHE 267 267 25894 1 . ASN 268 268 25894 1 . LYS 269 269 25894 1 . GLN 270 270 25894 1 . GLN 271 271 25894 1 . VAL 272 272 25894 1 . PRO 273 273 25894 1 . SER 274 274 25894 1 . GLY 275 275 25894 1 . GLU 276 276 25894 1 . SER 277 277 25894 1 . ALA 278 278 25894 1 . ILE 279 279 25894 1 . LEU 280 280 25894 1 . ASP 281 281 25894 1 . ARG 282 282 25894 1 . VAL 283 283 25894 1 . ALA 284 284 25894 1 . ASP 285 285 25894 1 . GLY 286 286 25894 1 . MET 287 287 25894 1 . VAL 288 288 25894 1 . PHE 289 289 25894 1 . GLY 290 290 25894 1 . ALA 291 291 25894 1 . LEU 292 292 25894 1 . LEU 293 293 25894 1 . PRO 294 294 25894 1 . CYS 295 295 25894 1 . GLU 296 296 25894 1 . GLU 297 297 25894 1 . CYS 298 298 25894 1 . SER 299 299 25894 1 . GLY 300 300 25894 1 . GLN 301 301 25894 1 . LEU 302 302 25894 1 . VAL 303 303 25894 1 . PHE 304 304 25894 1 . LYS 305 305 25894 1 . SER 306 306 25894 1 . ASP 307 307 25894 1 . ALA 308 308 25894 1 . TYR 309 309 25894 1 . TYR 310 310 25894 1 . CYS 311 311 25894 1 . THR 312 312 25894 1 . GLY 313 313 25894 1 . ASP 314 314 25894 1 . VAL 315 315 25894 1 . THR 316 316 25894 1 . ALA 317 317 25894 1 . TRP 318 318 25894 1 . THR 319 319 25894 1 . LYS 320 320 25894 1 . CYS 321 321 25894 1 . MET 322 322 25894 1 . VAL 323 323 25894 1 . LYS 324 324 25894 1 . THR 325 325 25894 1 . GLN 326 326 25894 1 . THR 327 327 25894 1 . PRO 328 328 25894 1 . ASN 329 329 25894 1 . ARG 330 330 25894 1 . LYS 331 331 25894 1 . GLU 332 332 25894 1 . TRP 333 333 25894 1 . VAL 334 334 25894 1 . THR 335 335 25894 1 . PRO 336 336 25894 1 . LYS 337 337 25894 1 . GLU 338 338 25894 1 . PHE 339 339 25894 1 . ARG 340 340 25894 1 . GLU 341 341 25894 1 . ILE 342 342 25894 1 . SER 343 343 25894 1 . TYR 344 344 25894 1 . LEU 345 345 25894 1 . LYS 346 346 25894 1 . LYS 347 347 25894 1 . LEU 348 348 25894 1 . LYS 349 349 25894 1 . VAL 350 350 25894 1 . LYS 351 351 25894 1 . LYS 352 352 25894 1 . GLN 353 353 25894 1 . ASP 354 354 25894 1 . ARG 355 355 25894 1 . ILE 356 356 25894 1 . PHE 357 357 25894 1 . PRO 358 358 25894 1 . PRO 359 359 25894 1 . GLU 360 360 25894 1 . THR 361 361 25894 1 . SER 362 362 25894 1 stop_ save_ save_PARP-1_525-645 _Entity.Sf_category entity _Entity.Sf_framecode PARP-1_525-645 _Entity.Entry_ID 25894 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PARP-1_525-645 _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 ; MKLTLKGGAAVDPDSGLEHS AHVLEKGGKVFSATLGLVDI VKGTNSYYKLQLLEDDKENR YWIFRSWGRVGTVIGSNKLE QMPSKEDAIEHFMKLYEEKT GNAWHSKNFTKYPKKFYPLE IDYGQDE ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1 523 MET . 25894 2 2 524 LYS . 25894 2 3 525 LEU . 25894 2 4 526 THR . 25894 2 5 527 LEU . 25894 2 6 528 LYS . 25894 2 7 529 GLY . 25894 2 8 530 GLY . 25894 2 9 531 ALA . 25894 2 10 532 ALA . 25894 2 11 533 VAL . 25894 2 12 534 ASP . 25894 2 13 535 PRO . 25894 2 14 536 ASP . 25894 2 15 537 SER . 25894 2 16 538 GLY . 25894 2 17 539 LEU . 25894 2 18 540 GLU . 25894 2 19 541 HIS . 25894 2 20 542 SER . 25894 2 21 543 ALA . 25894 2 22 544 HIS . 25894 2 23 545 VAL . 25894 2 24 546 LEU . 25894 2 25 547 GLU . 25894 2 26 548 LYS . 25894 2 27 549 GLY . 25894 2 28 550 GLY . 25894 2 29 551 LYS . 25894 2 30 552 VAL . 25894 2 31 553 PHE . 25894 2 32 554 SER . 25894 2 33 555 ALA . 25894 2 34 556 THR . 25894 2 35 557 LEU . 25894 2 36 558 GLY . 25894 2 37 559 LEU . 25894 2 38 560 VAL . 25894 2 39 561 ASP . 25894 2 40 562 ILE . 25894 2 41 563 VAL . 25894 2 42 564 LYS . 25894 2 43 565 GLY . 25894 2 44 566 THR . 25894 2 45 567 ASN . 25894 2 46 568 SER . 25894 2 47 569 TYR . 25894 2 48 570 TYR . 25894 2 49 571 LYS . 25894 2 50 572 LEU . 25894 2 51 573 GLN . 25894 2 52 574 LEU . 25894 2 53 575 LEU . 25894 2 54 576 GLU . 25894 2 55 577 ASP . 25894 2 56 578 ASP . 25894 2 57 579 LYS . 25894 2 58 580 GLU . 25894 2 59 581 ASN . 25894 2 60 582 ARG . 25894 2 61 583 TYR . 25894 2 62 584 TRP . 25894 2 63 585 ILE . 25894 2 64 586 PHE . 25894 2 65 587 ARG . 25894 2 66 588 SER . 25894 2 67 589 TRP . 25894 2 68 590 GLY . 25894 2 69 591 ARG . 25894 2 70 592 VAL . 25894 2 71 593 GLY . 25894 2 72 594 THR . 25894 2 73 595 VAL . 25894 2 74 596 ILE . 25894 2 75 597 GLY . 25894 2 76 598 SER . 25894 2 77 599 ASN . 25894 2 78 600 LYS . 25894 2 79 601 LEU . 25894 2 80 602 GLU . 25894 2 81 603 GLN . 25894 2 82 604 MET . 25894 2 83 605 PRO . 25894 2 84 606 SER . 25894 2 85 607 LYS . 25894 2 86 608 GLU . 25894 2 87 609 ASP . 25894 2 88 610 ALA . 25894 2 89 611 ILE . 25894 2 90 612 GLU . 25894 2 91 613 HIS . 25894 2 92 614 PHE . 25894 2 93 615 MET . 25894 2 94 616 LYS . 25894 2 95 617 LEU . 25894 2 96 618 TYR . 25894 2 97 619 GLU . 25894 2 98 620 GLU . 25894 2 99 621 LYS . 25894 2 100 622 THR . 25894 2 101 623 GLY . 25894 2 102 624 ASN . 25894 2 103 625 ALA . 25894 2 104 626 TRP . 25894 2 105 627 HIS . 25894 2 106 628 SER . 25894 2 107 629 LYS . 25894 2 108 630 ASN . 25894 2 109 631 PHE . 25894 2 110 632 THR . 25894 2 111 633 LYS . 25894 2 112 634 TYR . 25894 2 113 635 PRO . 25894 2 114 636 LYS . 25894 2 115 637 LYS . 25894 2 116 638 PHE . 25894 2 117 639 TYR . 25894 2 118 640 PRO . 25894 2 119 641 LEU . 25894 2 120 642 GLU . 25894 2 121 643 ILE . 25894 2 122 644 ASP . 25894 2 123 645 TYR . 25894 2 124 646 GLY . 25894 2 125 647 GLN . 25894 2 126 648 ASP . 25894 2 127 649 GLU . 25894 2 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 25894 2 . LYS 2 2 25894 2 . LEU 3 3 25894 2 . THR 4 4 25894 2 . LEU 5 5 25894 2 . LYS 6 6 25894 2 . GLY 7 7 25894 2 . GLY 8 8 25894 2 . ALA 9 9 25894 2 . ALA 10 10 25894 2 . VAL 11 11 25894 2 . ASP 12 12 25894 2 . PRO 13 13 25894 2 . ASP 14 14 25894 2 . SER 15 15 25894 2 . GLY 16 16 25894 2 . LEU 17 17 25894 2 . GLU 18 18 25894 2 . HIS 19 19 25894 2 . SER 20 20 25894 2 . ALA 21 21 25894 2 . HIS 22 22 25894 2 . VAL 23 23 25894 2 . LEU 24 24 25894 2 . GLU 25 25 25894 2 . LYS 26 26 25894 2 . GLY 27 27 25894 2 . GLY 28 28 25894 2 . LYS 29 29 25894 2 . VAL 30 30 25894 2 . PHE 31 31 25894 2 . SER 32 32 25894 2 . ALA 33 33 25894 2 . THR 34 34 25894 2 . LEU 35 35 25894 2 . GLY 36 36 25894 2 . LEU 37 37 25894 2 . VAL 38 38 25894 2 . ASP 39 39 25894 2 . ILE 40 40 25894 2 . VAL 41 41 25894 2 . LYS 42 42 25894 2 . GLY 43 43 25894 2 . THR 44 44 25894 2 . ASN 45 45 25894 2 . SER 46 46 25894 2 . TYR 47 47 25894 2 . TYR 48 48 25894 2 . LYS 49 49 25894 2 . LEU 50 50 25894 2 . GLN 51 51 25894 2 . LEU 52 52 25894 2 . LEU 53 53 25894 2 . GLU 54 54 25894 2 . ASP 55 55 25894 2 . ASP 56 56 25894 2 . LYS 57 57 25894 2 . GLU 58 58 25894 2 . ASN 59 59 25894 2 . ARG 60 60 25894 2 . TYR 61 61 25894 2 . TRP 62 62 25894 2 . ILE 63 63 25894 2 . PHE 64 64 25894 2 . ARG 65 65 25894 2 . SER 66 66 25894 2 . TRP 67 67 25894 2 . GLY 68 68 25894 2 . ARG 69 69 25894 2 . VAL 70 70 25894 2 . GLY 71 71 25894 2 . THR 72 72 25894 2 . VAL 73 73 25894 2 . ILE 74 74 25894 2 . GLY 75 75 25894 2 . SER 76 76 25894 2 . ASN 77 77 25894 2 . LYS 78 78 25894 2 . LEU 79 79 25894 2 . GLU 80 80 25894 2 . GLN 81 81 25894 2 . MET 82 82 25894 2 . PRO 83 83 25894 2 . SER 84 84 25894 2 . LYS 85 85 25894 2 . GLU 86 86 25894 2 . ASP 87 87 25894 2 . ALA 88 88 25894 2 . ILE 89 89 25894 2 . GLU 90 90 25894 2 . HIS 91 91 25894 2 . PHE 92 92 25894 2 . MET 93 93 25894 2 . LYS 94 94 25894 2 . LEU 95 95 25894 2 . TYR 96 96 25894 2 . GLU 97 97 25894 2 . GLU 98 98 25894 2 . LYS 99 99 25894 2 . THR 100 100 25894 2 . GLY 101 101 25894 2 . ASN 102 102 25894 2 . ALA 103 103 25894 2 . TRP 104 104 25894 2 . HIS 105 105 25894 2 . SER 106 106 25894 2 . LYS 107 107 25894 2 . ASN 108 108 25894 2 . PHE 109 109 25894 2 . THR 110 110 25894 2 . LYS 111 111 25894 2 . TYR 112 112 25894 2 . PRO 113 113 25894 2 . LYS 114 114 25894 2 . LYS 115 115 25894 2 . PHE 116 116 25894 2 . TYR 117 117 25894 2 . PRO 118 118 25894 2 . LEU 119 119 25894 2 . GLU 120 120 25894 2 . ILE 121 121 25894 2 . ASP 122 122 25894 2 . TYR 123 123 25894 2 . GLY 124 124 25894 2 . GLN 125 125 25894 2 . ASP 126 126 25894 2 . GLU 127 127 25894 2 stop_ save_ save_DNA_(45-MER) _Entity.Sf_category entity _Entity.Sf_framecode DNA_(45-MER) _Entity.Entry_ID 25894 _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 C _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 . 25894 3 2 . DC . 25894 3 3 . DT . 25894 3 4 . DG . 25894 3 5 . DG . 25894 3 6 . DC . 25894 3 7 . DT . 25894 3 8 . DT . 25894 3 9 . DC . 25894 3 10 . DG . 25894 3 11 . DT . 25894 3 12 . DA . 25894 3 13 . DA . 25894 3 14 . DG . 25894 3 15 . DA . 25894 3 16 . DA . 25894 3 17 . DG . 25894 3 18 . DC . 25894 3 19 . DC . 25894 3 20 . DA . 25894 3 21 . DG . 25894 3 22 . DC . 25894 3 23 . DT . 25894 3 24 . DC . 25894 3 25 . DG . 25894 3 26 . DC . 25894 3 27 . DG . 25894 3 28 . DG . 25894 3 29 . DT . 25894 3 30 . DC . 25894 3 31 . DA . 25894 3 32 . DG . 25894 3 33 . DC . 25894 3 34 . DT . 25894 3 35 . DT . 25894 3 36 . DG . 25894 3 37 . DC . 25894 3 38 . DT . 25894 3 39 . DG . 25894 3 40 . DA . 25894 3 41 . DC . 25894 3 42 . DC . 25894 3 43 . DG . 25894 3 44 . DC . 25894 3 45 . DG . 25894 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 25894 3 . DC 2 2 25894 3 . DT 3 3 25894 3 . DG 4 4 25894 3 . DG 5 5 25894 3 . DC 6 6 25894 3 . DT 7 7 25894 3 . DT 8 8 25894 3 . DC 9 9 25894 3 . DG 10 10 25894 3 . DT 11 11 25894 3 . DA 12 12 25894 3 . DA 13 13 25894 3 . DG 14 14 25894 3 . DA 15 15 25894 3 . DA 16 16 25894 3 . DG 17 17 25894 3 . DC 18 18 25894 3 . DC 19 19 25894 3 . DA 20 20 25894 3 . DG 21 21 25894 3 . DC 22 22 25894 3 . DT 23 23 25894 3 . DC 24 24 25894 3 . DG 25 25 25894 3 . DC 26 26 25894 3 . DG 27 27 25894 3 . DG 28 28 25894 3 . DT 29 29 25894 3 . DC 30 30 25894 3 . DA 31 31 25894 3 . DG 32 32 25894 3 . DC 33 33 25894 3 . DT 34 34 25894 3 . DT 35 35 25894 3 . DG 36 36 25894 3 . DC 37 37 25894 3 . DT 38 38 25894 3 . DG 39 39 25894 3 . DA 40 40 25894 3 . DC 41 41 25894 3 . DC 42 42 25894 3 . DG 43 43 25894 3 . DC 44 44 25894 3 . DG 45 45 25894 3 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25894 _Entity.ID 4 _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 25894 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25894 4 ZN 'Three letter code' 25894 4 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 25894 4 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 25894 _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 . . . . . . . . . . . . . 25894 1 2 2 $PARP-1_525-645 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25894 1 3 3 $DNA_(45-MER) . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25894 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 25894 _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 . . . 25894 1 2 2 $PARP-1_525-645 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21 DE3 . . . . Pet13 . . . 25894 1 3 3 $DNA_(45-MER) . 'chemical synthesis' . . . . . . . . . . . . . . . . 25894 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 25894 _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 25894 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25894 ZN [Zn++] SMILES CACTVS 3.341 25894 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25894 ZN [Zn+2] SMILES ACDLabs 10.04 25894 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25894 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25894 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 25894 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25894 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 . 25894 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25894 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; PARP-1 F1F2F3, PARP-1 WGR, DNA ternary 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 . . . . 25894 1 2 PARP-1_525-645 'natural abundance' . . 2 $PARP-1_525-645 . protein 0.2 . . mM . . . . 25894 1 3 'DNA (45-MER)' 'natural abundance' . . 3 $DNA_(45-MER) . DNA 0.2 . . mM . . . . 25894 1 4 TRIS [U-2H] . . . . . buffer 50 . . mM . . . . 25894 1 5 DTT [U-2H] . . . . . . 1 . . mM . . . . 25894 1 6 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25894 1 7 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25894 1 8 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25894 1 9 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25894 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25894 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; PARP-1 F1F2F3, PARP-1 WGR, DNA ternary 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 . . . . 25894 2 2 PARP-1_525-645 'natural abundance' . . 2 $PARP-1_525-645 . protein 0.2 . . mM . . . . 25894 2 3 'DNA (45-MER)' 'natural abundance' . . 3 $DNA_(45-MER) . DNA 0.2 . . mM . . . . 25894 2 4 TRIS [U-2H] . . . . . buffer 50 . . mM . . . . 25894 2 5 DTT [U-2H] . . . . . . 1 . . mM . . . . 25894 2 6 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25894 2 7 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25894 2 8 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25894 2 9 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25894 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25894 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; PARP-1 F1F2F3, PARP-1 WGR, DNA ternary complex. F1F2F3 natural abundance, WGR 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 'natural abundance' . . 1 $PARP-1_1-362 . protein 0.2 . . mM . . . . 25894 3 2 PARP-1_525-645 '[U-13C; U-15N; U-2H]' . . 2 $PARP-1_525-645 . protein 0.2 . . mM . . . . 25894 3 3 'DNA (45-MER)' 'natural abundance' . . 3 $DNA_(45-MER) . DNA 0.2 . . mM . . . . 25894 3 4 TRIS [U-2H] . . . . . buffer 50 . . mM . . . . 25894 3 5 DTT [U-2H] . . . . . . 1 . . mM . . . . 25894 3 6 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25894 3 7 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25894 3 8 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25894 3 9 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25894 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 25894 _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 25894 1 pH 7.2 . pH 25894 1 pressure 1 . atm 25894 1 temperature 303 . K 25894 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25894 _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 . . 25894 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25894 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25894 _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' . . 25894 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25894 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25894 _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 . . 25894 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25894 3 'data analysis' 25894 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25894 _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' . . 25894 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25894 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 25894 _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 25894 _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 25894 _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 25894 _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 25894 _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 . . . 25894 1 2 av700 Bruker 'Avance II+' . 700 . . . 25894 1 3 dmx600 Bruker DMX . 600 . . . 25894 1 4 drx500 Bruker DRX . 500 . . . 25894 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 25894 _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 . . . . . . . . . . . . . . . . 25894 1 2 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25894 1 3 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25894 1 4 '3D TROSY-HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25894 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $av800 . . . . . . . . . . . . . . . . 25894 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 25894 _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 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 25894 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 25894 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 25894 _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 25894 1 2 '3D TROSY-HNCA' 1 $sample_1 isotropic 25894 1 3 '2D 1H-15N TROSY' 2 $sample_2 isotropic 25894 1 4 '3D TROSY-HNCA' 2 $sample_2 isotropic 25894 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 5 5 SER H H 1 8.387 0.02 . 1 . . . . 5 SER HN . 25894 1 2 . 1 1 5 5 SER N N 15 117.203 0.1 . 1 . . . . 5 SER N . 25894 1 3 . 1 1 6 6 ASP H H 1 8.327 0.02 . 1 . . . . 6 ASP HN . 25894 1 4 . 1 1 6 6 ASP N N 15 122.425 0.1 . 1 . . . . 6 ASP N . 25894 1 5 . 1 1 7 7 LYS H H 1 8.198 0.02 . 1 . . . . 7 LYS HN . 25894 1 6 . 1 1 7 7 LYS N N 15 120.712 0.1 . 1 . . . . 7 LYS N . 25894 1 7 . 1 1 8 8 LEU H H 1 8.800 0.02 . 1 . . . . 8 LEU HN . 25894 1 8 . 1 1 8 8 LEU N N 15 123.419 0.1 . 1 . . . . 8 LEU N . 25894 1 9 . 1 1 9 9 TYR H H 1 6.706 0.02 . 1 . . . . 9 TYR HN . 25894 1 10 . 1 1 9 9 TYR N N 15 110.170 0.1 . 1 . . . . 9 TYR N . 25894 1 11 . 1 1 10 10 ARG H H 1 8.434 0.02 . 1 . . . . 10 ARG HN . 25894 1 12 . 1 1 10 10 ARG N N 15 120.955 0.1 . 1 . . . . 10 ARG N . 25894 1 13 . 1 1 11 11 VAL H H 1 8.862 0.02 . 1 . . . . 11 VAL HN . 25894 1 14 . 1 1 11 11 VAL N N 15 122.649 0.1 . 1 . . . . 11 VAL N . 25894 1 15 . 1 1 12 12 GLU H H 1 8.415 0.02 . 1 . . . . 12 GLU HN . 25894 1 16 . 1 1 12 12 GLU N N 15 119.243 0.1 . 1 . . . . 12 GLU N . 25894 1 17 . 1 1 13 13 TYR H H 1 7.878 0.02 . 1 . . . . 13 TYR HN . 25894 1 18 . 1 1 13 13 TYR N N 15 118.421 0.1 . 1 . . . . 13 TYR N . 25894 1 19 . 1 1 14 14 ALA H H 1 9.489 0.02 . 1 . . . . 14 ALA HN . 25894 1 20 . 1 1 14 14 ALA N N 15 125.712 0.1 . 1 . . . . 14 ALA N . 25894 1 21 . 1 1 15 15 LYS H H 1 6.683 0.02 . 1 . . . . 15 LYS HN . 25894 1 22 . 1 1 15 15 LYS N N 15 121.668 0.1 . 1 . . . . 15 LYS N . 25894 1 23 . 1 1 16 16 SER H H 1 7.752 0.02 . 1 . . . . 16 SER HN . 25894 1 24 . 1 1 16 16 SER N N 15 112.933 0.1 . 1 . . . . 16 SER N . 25894 1 25 . 1 1 17 17 GLY H H 1 9.129 0.02 . 1 . . . . 17 GLY HN . 25894 1 26 . 1 1 17 17 GLY N N 15 109.200 0.1 . 1 . . . . 17 GLY N . 25894 1 27 . 1 1 18 18 ARG H H 1 8.512 0.02 . 1 . . . . 18 ARG HN . 25894 1 28 . 1 1 18 18 ARG N N 15 115.218 0.1 . 1 . . . . 18 ARG N . 25894 1 29 . 1 1 19 19 ALA H H 1 8.834 0.02 . 1 . . . . 19 ALA HN . 25894 1 30 . 1 1 19 19 ALA N N 15 124.078 0.1 . 1 . . . . 19 ALA N . 25894 1 31 . 1 1 20 20 SER H H 1 8.633 0.02 . 1 . . . . 20 SER HN . 25894 1 32 . 1 1 20 20 SER N N 15 116.700 0.1 . 1 . . . . 20 SER N . 25894 1 33 . 1 1 21 21 CYS H H 1 8.082 0.02 . 1 . . . . 21 CYS HN . 25894 1 34 . 1 1 21 21 CYS N N 15 125.410 0.1 . 1 . . . . 21 CYS N . 25894 1 35 . 1 1 22 22 LYS H H 1 8.624 0.02 . 1 . . . . 22 LYS HN . 25894 1 36 . 1 1 22 22 LYS N N 15 128.585 0.1 . 1 . . . . 22 LYS N . 25894 1 37 . 1 1 23 23 LYS H H 1 8.961 0.02 . 1 . . . . 23 LYS HN . 25894 1 38 . 1 1 23 23 LYS N N 15 121.264 0.1 . 1 . . . . 23 LYS N . 25894 1 39 . 1 1 24 24 CYS H H 1 8.175 0.02 . 1 . . . . 24 CYS HN . 25894 1 40 . 1 1 24 24 CYS N N 15 116.863 0.1 . 1 . . . . 24 CYS N . 25894 1 41 . 1 1 25 25 SER H H 1 8.085 0.02 . 1 . . . . 25 SER HN . 25894 1 42 . 1 1 25 25 SER N N 15 116.174 0.1 . 1 . . . . 25 SER N . 25894 1 43 . 1 1 26 26 GLU H H 1 8.287 0.02 . 1 . . . . 26 GLU HN . 25894 1 44 . 1 1 26 26 GLU N N 15 120.864 0.1 . 1 . . . . 26 GLU N . 25894 1 45 . 1 1 27 27 SER H H 1 8.773 0.02 . 1 . . . . 27 SER HN . 25894 1 46 . 1 1 27 27 SER N N 15 116.366 0.1 . 1 . . . . 27 SER N . 25894 1 47 . 1 1 28 28 ILE H H 1 8.439 0.02 . 1 . . . . 28 ILE HN . 25894 1 48 . 1 1 28 28 ILE N N 15 126.661 0.1 . 1 . . . . 28 ILE N . 25894 1 49 . 1 1 30 30 LYS H H 1 8.748 0.02 . 1 . . . . 30 LYS HN . 25894 1 50 . 1 1 30 30 LYS N N 15 125.149 0.1 . 1 . . . . 30 LYS N . 25894 1 51 . 1 1 31 31 ASP H H 1 9.157 0.02 . 1 . . . . 31 ASP HN . 25894 1 52 . 1 1 31 31 ASP N N 15 119.984 0.1 . 1 . . . . 31 ASP N . 25894 1 53 . 1 1 32 32 SER H H 1 7.935 0.02 . 1 . . . . 32 SER HN . 25894 1 54 . 1 1 32 32 SER N N 15 115.757 0.1 . 1 . . . . 32 SER N . 25894 1 55 . 1 1 33 33 LEU H H 1 8.879 0.02 . 1 . . . . 33 LEU HN . 25894 1 56 . 1 1 33 33 LEU N N 15 123.457 0.1 . 1 . . . . 33 LEU N . 25894 1 57 . 1 1 34 34 ARG H H 1 9.072 0.02 . 1 . . . . 34 ARG HN . 25894 1 58 . 1 1 34 34 ARG N N 15 124.571 0.1 . 1 . . . . 34 ARG N . 25894 1 59 . 1 1 35 35 MET H H 1 8.489 0.02 . 1 . . . . 35 MET HN . 25894 1 60 . 1 1 35 35 MET N N 15 118.473 0.1 . 1 . . . . 35 MET N . 25894 1 61 . 1 1 36 36 ALA H H 1 9.423 0.02 . 1 . . . . 36 ALA HN . 25894 1 62 . 1 1 36 36 ALA N N 15 123.228 0.1 . 1 . . . . 36 ALA N . 25894 1 63 . 1 1 37 37 ILE H H 1 7.835 0.02 . 1 . . . . 37 ILE HN . 25894 1 64 . 1 1 37 37 ILE N N 15 116.073 0.1 . 1 . . . . 37 ILE N . 25894 1 65 . 1 1 38 38 MET H H 1 8.278 0.02 . 1 . . . . 38 MET HN . 25894 1 66 . 1 1 38 38 MET N N 15 125.022 0.1 . 1 . . . . 38 MET N . 25894 1 67 . 1 1 39 39 VAL H H 1 8.468 0.02 . 1 . . . . 39 VAL HN . 25894 1 68 . 1 1 39 39 VAL N N 15 121.520 0.1 . 1 . . . . 39 VAL N . 25894 1 69 . 1 1 40 40 GLN H H 1 8.435 0.02 . 1 . . . . 40 GLN HN . 25894 1 70 . 1 1 40 40 GLN N N 15 123.982 0.1 . 1 . . . . 40 GLN N . 25894 1 71 . 1 1 46 46 GLY H H 1 7.463 0.02 . 1 . . . . 46 GLY HN . 25894 1 72 . 1 1 46 46 GLY N N 15 111.560 0.1 . 1 . . . . 46 GLY N . 25894 1 73 . 1 1 47 47 LYS H H 1 8.022 0.02 . 1 . . . . 47 LYS HN . 25894 1 74 . 1 1 47 47 LYS N N 15 116.671 0.1 . 1 . . . . 47 LYS N . 25894 1 75 . 1 1 48 48 VAL H H 1 8.917 0.02 . 1 . . . . 48 VAL HN . 25894 1 76 . 1 1 48 48 VAL N N 15 116.368 0.1 . 1 . . . . 48 VAL N . 25894 1 77 . 1 1 50 50 HIS H H 1 8.795 0.02 . 1 . . . . 50 HIS HN . 25894 1 78 . 1 1 50 50 HIS N N 15 125.677 0.1 . 1 . . . . 50 HIS N . 25894 1 79 . 1 1 51 51 TRP H H 1 8.663 0.02 . 1 . . . . 51 TRP HN . 25894 1 80 . 1 1 51 51 TRP HE1 H 1 10.561 0.02 . 1 . . . . 51 TRP HE1 . 25894 1 81 . 1 1 51 51 TRP N N 15 121.049 0.1 . 1 . . . . 51 TRP N . 25894 1 82 . 1 1 51 51 TRP NE1 N 15 130.057 0.1 . 1 . . . . 51 TRP NE1 . 25894 1 83 . 1 1 52 52 TYR H H 1 9.357 0.02 . 1 . . . . 52 TYR HN . 25894 1 84 . 1 1 52 52 TYR N N 15 114.142 0.1 . 1 . . . . 52 TYR N . 25894 1 85 . 1 1 53 53 HIS H H 1 8.809 0.02 . 1 . . . . 53 HIS HN . 25894 1 86 . 1 1 53 53 HIS N N 15 118.741 0.1 . 1 . . . . 53 HIS N . 25894 1 87 . 1 1 54 54 PHE H H 1 8.570 0.02 . 1 . . . . 54 PHE HN . 25894 1 88 . 1 1 54 54 PHE N N 15 123.179 0.1 . 1 . . . . 54 PHE N . 25894 1 89 . 1 1 55 55 SER H H 1 9.200 0.02 . 1 . . . . 55 SER HN . 25894 1 90 . 1 1 55 55 SER N N 15 108.979 0.1 . 1 . . . . 55 SER N . 25894 1 91 . 1 1 56 56 CYS H H 1 7.037 0.02 . 1 . . . . 56 CYS HN . 25894 1 92 . 1 1 56 56 CYS N N 15 119.623 0.1 . 1 . . . . 56 CYS N . 25894 1 93 . 1 1 57 57 PHE H H 1 8.032 0.02 . 1 . . . . 57 PHE HN . 25894 1 94 . 1 1 57 57 PHE N N 15 117.739 0.1 . 1 . . . . 57 PHE N . 25894 1 95 . 1 1 58 58 TRP H H 1 6.517 0.02 . 1 . . . . 58 TRP HN . 25894 1 96 . 1 1 58 58 TRP N N 15 114.654 0.1 . 1 . . . . 58 TRP N . 25894 1 97 . 1 1 59 59 LYS H H 1 7.584 0.02 . 1 . . . . 59 LYS HN . 25894 1 98 . 1 1 59 59 LYS N N 15 117.439 0.1 . 1 . . . . 59 LYS N . 25894 1 99 . 1 1 60 60 VAL H H 1 7.085 0.02 . 1 . . . . 60 VAL HN . 25894 1 100 . 1 1 60 60 VAL N N 15 114.513 0.1 . 1 . . . . 60 VAL N . 25894 1 101 . 1 1 61 61 GLY H H 1 7.415 0.02 . 1 . . . . 61 GLY HN . 25894 1 102 . 1 1 61 61 GLY N N 15 105.664 0.1 . 1 . . . . 61 GLY N . 25894 1 103 . 1 1 62 62 HIS H H 1 7.275 0.02 . 1 . . . . 62 HIS HN . 25894 1 104 . 1 1 62 62 HIS N N 15 119.242 0.1 . 1 . . . . 62 HIS N . 25894 1 105 . 1 1 63 63 SER H H 1 8.400 0.02 . 1 . . . . 63 SER HN . 25894 1 106 . 1 1 63 63 SER N N 15 116.744 0.1 . 1 . . . . 63 SER N . 25894 1 107 . 1 1 64 64 ILE H H 1 8.799 0.02 . 1 . . . . 64 ILE HN . 25894 1 108 . 1 1 64 64 ILE N N 15 125.715 0.1 . 1 . . . . 64 ILE N . 25894 1 109 . 1 1 65 65 ARG H H 1 9.032 0.02 . 1 . . . . 65 ARG HN . 25894 1 110 . 1 1 65 65 ARG N N 15 126.805 0.1 . 1 . . . . 65 ARG N . 25894 1 111 . 1 1 66 66 HIS H H 1 8.802 0.02 . 1 . . . . 66 HIS HN . 25894 1 112 . 1 1 66 66 HIS N N 15 116.290 0.1 . 1 . . . . 66 HIS N . 25894 1 113 . 1 1 68 68 ASP H H 1 8.539 0.02 . 1 . . . . 68 ASP HN . 25894 1 114 . 1 1 68 68 ASP N N 15 110.959 0.1 . 1 . . . . 68 ASP N . 25894 1 115 . 1 1 69 69 VAL H H 1 7.177 0.02 . 1 . . . . 69 VAL HN . 25894 1 116 . 1 1 69 69 VAL N N 15 114.761 0.1 . 1 . . . . 69 VAL N . 25894 1 117 . 1 1 70 70 GLU H H 1 7.896 0.02 . 1 . . . . 70 GLU HN . 25894 1 118 . 1 1 70 70 GLU N N 15 115.861 0.1 . 1 . . . . 70 GLU N . 25894 1 119 . 1 1 71 71 VAL H H 1 7.857 0.02 . 1 . . . . 71 VAL HN . 25894 1 120 . 1 1 71 71 VAL N N 15 116.864 0.1 . 1 . . . . 71 VAL N . 25894 1 121 . 1 1 72 72 ASP H H 1 9.054 0.02 . 1 . . . . 72 ASP HN . 25894 1 122 . 1 1 72 72 ASP N N 15 131.543 0.1 . 1 . . . . 72 ASP N . 25894 1 123 . 1 1 73 73 GLY H H 1 8.726 0.02 . 1 . . . . 73 GLY HN . 25894 1 124 . 1 1 73 73 GLY N N 15 113.155 0.1 . 1 . . . . 73 GLY N . 25894 1 125 . 1 1 74 74 PHE H H 1 7.662 0.02 . 1 . . . . 74 PHE HN . 25894 1 126 . 1 1 74 74 PHE N N 15 122.693 0.1 . 1 . . . . 74 PHE N . 25894 1 127 . 1 1 75 75 SER H H 1 8.718 0.02 . 1 . . . . 75 SER HN . 25894 1 128 . 1 1 75 75 SER N N 15 109.175 0.1 . 1 . . . . 75 SER N . 25894 1 129 . 1 1 76 76 GLU H H 1 7.462 0.02 . 1 . . . . 76 GLU HN . 25894 1 130 . 1 1 76 76 GLU N N 15 118.216 0.1 . 1 . . . . 76 GLU N . 25894 1 131 . 1 1 77 77 LEU H H 1 7.102 0.02 . 1 . . . . 77 LEU HN . 25894 1 132 . 1 1 77 77 LEU N N 15 118.010 0.1 . 1 . . . . 77 LEU N . 25894 1 133 . 1 1 78 78 ARG H H 1 8.604 0.02 . 1 . . . . 78 ARG HN . 25894 1 134 . 1 1 78 78 ARG N N 15 120.489 0.1 . 1 . . . . 78 ARG N . 25894 1 135 . 1 1 79 79 TRP HE1 H 1 10.216 0.02 . 1 . . . . 79 TRP HE1 . 25894 1 136 . 1 1 79 79 TRP NE1 N 15 129.642 0.1 . 1 . . . . 79 TRP NE1 . 25894 1 137 . 1 1 80 80 ASP H H 1 9.173 0.02 . 1 . . . . 80 ASP HN . 25894 1 138 . 1 1 80 80 ASP N N 15 115.406 0.1 . 1 . . . . 80 ASP N . 25894 1 139 . 1 1 81 81 ASP H H 1 7.210 0.02 . 1 . . . . 81 ASP HN . 25894 1 140 . 1 1 81 81 ASP N N 15 119.231 0.1 . 1 . . . . 81 ASP N . 25894 1 141 . 1 1 82 82 GLN H H 1 8.064 0.02 . 1 . . . . 82 GLN HN . 25894 1 142 . 1 1 82 82 GLN N N 15 121.328 0.1 . 1 . . . . 82 GLN N . 25894 1 143 . 1 1 83 83 GLN H H 1 7.622 0.02 . 1 . . . . 83 GLN HN . 25894 1 144 . 1 1 83 83 GLN N N 15 114.927 0.1 . 1 . . . . 83 GLN N . 25894 1 145 . 1 1 84 84 LYS H H 1 7.624 0.02 . 1 . . . . 84 LYS HN . 25894 1 146 . 1 1 84 84 LYS N N 15 120.221 0.1 . 1 . . . . 84 LYS N . 25894 1 147 . 1 1 85 85 VAL H H 1 8.500 0.02 . 1 . . . . 85 VAL HN . 25894 1 148 . 1 1 85 85 VAL N N 15 121.230 0.1 . 1 . . . . 85 VAL N . 25894 1 149 . 1 1 86 86 LYS H H 1 8.299 0.02 . 1 . . . . 86 LYS HN . 25894 1 150 . 1 1 86 86 LYS N N 15 118.237 0.1 . 1 . . . . 86 LYS N . 25894 1 151 . 1 1 87 87 LYS H H 1 8.680 0.02 . 1 . . . . 87 LYS HN . 25894 1 152 . 1 1 87 87 LYS N N 15 117.595 0.1 . 1 . . . . 87 LYS N . 25894 1 153 . 1 1 88 88 THR H H 1 7.857 0.02 . 1 . . . . 88 THR HN . 25894 1 154 . 1 1 88 88 THR N N 15 116.172 0.1 . 1 . . . . 88 THR N . 25894 1 155 . 1 1 89 89 ALA H H 1 7.886 0.02 . 1 . . . . 89 ALA HN . 25894 1 156 . 1 1 89 89 ALA N N 15 123.106 0.1 . 1 . . . . 89 ALA N . 25894 1 157 . 1 1 90 90 GLU H H 1 7.730 0.02 . 1 . . . . 90 GLU HN . 25894 1 158 . 1 1 90 90 GLU N N 15 116.675 0.1 . 1 . . . . 90 GLU N . 25894 1 159 . 1 1 91 91 ALA H H 1 7.503 0.02 . 1 . . . . 91 ALA HN . 25894 1 160 . 1 1 91 91 ALA N N 15 120.582 0.1 . 1 . . . . 91 ALA N . 25894 1 161 . 1 1 92 92 GLY H H 1 7.940 0.02 . 1 . . . . 92 GLY HN . 25894 1 162 . 1 1 92 92 GLY N N 15 106.520 0.1 . 1 . . . . 92 GLY N . 25894 1 163 . 1 1 93 93 GLY H H 1 7.898 0.02 . 1 . . . . 93 GLY HN . 25894 1 164 . 1 1 93 93 GLY N N 15 106.890 0.1 . 1 . . . . 93 GLY N . 25894 1 165 . 1 1 94 94 VAL H H 1 7.865 0.02 . 1 . . . . 94 VAL HN . 25894 1 166 . 1 1 94 94 VAL N N 15 118.157 0.1 . 1 . . . . 94 VAL N . 25894 1 167 . 1 1 95 95 THR H H 1 8.191 0.02 . 1 . . . . 95 THR HN . 25894 1 168 . 1 1 95 95 THR N N 15 116.999 0.1 . 1 . . . . 95 THR N . 25894 1 169 . 1 1 96 96 GLY H H 1 8.363 0.02 . 1 . . . . 96 GLY HN . 25894 1 170 . 1 1 96 96 GLY N N 15 110.912 0.1 . 1 . . . . 96 GLY N . 25894 1 171 . 1 1 97 97 LYS H H 1 8.263 0.02 . 1 . . . . 97 LYS HN . 25894 1 172 . 1 1 97 97 LYS N N 15 120.854 0.1 . 1 . . . . 97 LYS N . 25894 1 173 . 1 1 98 98 GLY H H 1 8.533 0.02 . 1 . . . . 98 GLY HN . 25894 1 174 . 1 1 98 98 GLY N N 15 110.030 0.1 . 1 . . . . 98 GLY N . 25894 1 175 . 1 1 99 99 GLN H H 1 8.333 0.02 . 1 . . . . 99 GLN HN . 25894 1 176 . 1 1 99 99 GLN N N 15 119.873 0.1 . 1 . . . . 99 GLN N . 25894 1 177 . 1 1 100 100 ASP H H 1 8.391 0.02 . 1 . . . . 100 ASP HN . 25894 1 178 . 1 1 100 100 ASP N N 15 120.536 0.1 . 1 . . . . 100 ASP N . 25894 1 179 . 1 1 101 101 GLY H H 1 8.291 0.02 . 1 . . . . 101 GLY HN . 25894 1 180 . 1 1 101 101 GLY N N 15 108.707 0.1 . 1 . . . . 101 GLY N . 25894 1 181 . 1 1 102 102 ILE H H 1 8.021 0.02 . 1 . . . . 102 ILE HN . 25894 1 182 . 1 1 102 102 ILE N N 15 119.935 0.1 . 1 . . . . 102 ILE N . 25894 1 183 . 1 1 103 103 GLY H H 1 8.557 0.02 . 1 . . . . 103 GLY HN . 25894 1 184 . 1 1 103 103 GLY N N 15 112.359 0.1 . 1 . . . . 103 GLY N . 25894 1 185 . 1 1 106 106 ALA H H 1 8.178 0.02 . 1 . . . . 106 ALA HN . 25894 1 186 . 1 1 106 106 ALA N N 15 124.099 0.1 . 1 . . . . 106 ALA N . 25894 1 187 . 1 1 107 107 GLU H H 1 8.247 0.02 . 1 . . . . 107 GLU HN . 25894 1 188 . 1 1 107 107 GLU N N 15 119.386 0.1 . 1 . . . . 107 GLU N . 25894 1 189 . 1 1 108 108 LYS H H 1 8.567 0.02 . 1 . . . . 108 LYS HN . 25894 1 190 . 1 1 108 108 LYS N N 15 123.470 0.1 . 1 . . . . 108 LYS N . 25894 1 191 . 1 1 109 109 THR H H 1 8.059 0.02 . 1 . . . . 109 THR HN . 25894 1 192 . 1 1 109 109 THR N N 15 115.871 0.1 . 1 . . . . 109 THR N . 25894 1 193 . 1 1 110 110 LEU H H 1 8.965 0.02 . 1 . . . . 110 LEU HN . 25894 1 194 . 1 1 110 110 LEU N N 15 127.222 0.1 . 1 . . . . 110 LEU N . 25894 1 195 . 1 1 111 111 GLY H H 1 8.441 0.02 . 1 . . . . 111 GLY HN . 25894 1 196 . 1 1 111 111 GLY N N 15 106.908 0.1 . 1 . . . . 111 GLY N . 25894 1 197 . 1 1 112 112 ASP H H 1 8.756 0.02 . 1 . . . . 112 ASP HN . 25894 1 198 . 1 1 112 112 ASP N N 15 115.518 0.1 . 1 . . . . 112 ASP N . 25894 1 199 . 1 1 113 113 PHE H H 1 7.267 0.02 . 1 . . . . 113 PHE HN . 25894 1 200 . 1 1 113 113 PHE N N 15 115.950 0.1 . 1 . . . . 113 PHE N . 25894 1 201 . 1 1 114 114 ALA H H 1 8.403 0.02 . 1 . . . . 114 ALA HN . 25894 1 202 . 1 1 114 114 ALA N N 15 123.463 0.1 . 1 . . . . 114 ALA N . 25894 1 203 . 1 1 115 115 ALA H H 1 8.633 0.02 . 1 . . . . 115 ALA HN . 25894 1 204 . 1 1 115 115 ALA N N 15 118.410 0.1 . 1 . . . . 115 ALA N . 25894 1 205 . 1 1 116 116 GLU H H 1 8.722 0.02 . 1 . . . . 116 GLU HN . 25894 1 206 . 1 1 116 116 GLU N N 15 114.782 0.1 . 1 . . . . 116 GLU N . 25894 1 207 . 1 1 117 117 TYR H H 1 7.934 0.02 . 1 . . . . 117 TYR HN . 25894 1 208 . 1 1 117 117 TYR N N 15 117.308 0.1 . 1 . . . . 117 TYR N . 25894 1 209 . 1 1 118 118 ALA H H 1 9.308 0.02 . 1 . . . . 118 ALA HN . 25894 1 210 . 1 1 118 118 ALA N N 15 124.703 0.1 . 1 . . . . 118 ALA N . 25894 1 211 . 1 1 119 119 LYS H H 1 6.716 0.02 . 1 . . . . 119 LYS HN . 25894 1 212 . 1 1 119 119 LYS N N 15 121.706 0.1 . 1 . . . . 119 LYS N . 25894 1 213 . 1 1 120 120 SER H H 1 7.582 0.02 . 1 . . . . 120 SER HN . 25894 1 214 . 1 1 120 120 SER N N 15 112.406 0.1 . 1 . . . . 120 SER N . 25894 1 215 . 1 1 122 122 ARG H H 1 8.698 0.02 . 1 . . . . 122 ARG HN . 25894 1 216 . 1 1 122 122 ARG N N 15 115.081 0.1 . 1 . . . . 122 ARG N . 25894 1 217 . 1 1 124 124 THR H H 1 8.733 0.02 . 1 . . . . 124 THR HN . 25894 1 218 . 1 1 124 124 THR N N 15 118.424 0.1 . 1 . . . . 124 THR N . 25894 1 219 . 1 1 125 125 CYS H H 1 8.351 0.02 . 1 . . . . 125 CYS HN . 25894 1 220 . 1 1 125 125 CYS N N 15 126.601 0.1 . 1 . . . . 125 CYS N . 25894 1 221 . 1 1 126 126 LYS H H 1 8.671 0.02 . 1 . . . . 126 LYS HN . 25894 1 222 . 1 1 126 126 LYS N N 15 128.581 0.1 . 1 . . . . 126 LYS N . 25894 1 223 . 1 1 127 127 GLY H H 1 9.153 0.02 . 1 . . . . 127 GLY HN . 25894 1 224 . 1 1 127 127 GLY N N 15 111.485 0.1 . 1 . . . . 127 GLY N . 25894 1 225 . 1 1 128 128 CYS H H 1 8.138 0.02 . 1 . . . . 128 CYS HN . 25894 1 226 . 1 1 128 128 CYS N N 15 119.531 0.1 . 1 . . . . 128 CYS N . 25894 1 227 . 1 1 129 129 MET H H 1 8.180 0.02 . 1 . . . . 129 MET HN . 25894 1 228 . 1 1 129 129 MET N N 15 117.516 0.1 . 1 . . . . 129 MET N . 25894 1 229 . 1 1 130 130 GLU H H 1 8.348 0.02 . 1 . . . . 130 GLU HN . 25894 1 230 . 1 1 130 130 GLU N N 15 119.194 0.1 . 1 . . . . 130 GLU N . 25894 1 231 . 1 1 131 131 LYS H H 1 8.678 0.02 . 1 . . . . 131 LYS HN . 25894 1 232 . 1 1 131 131 LYS N N 15 119.622 0.1 . 1 . . . . 131 LYS N . 25894 1 233 . 1 1 132 132 ILE H H 1 8.129 0.02 . 1 . . . . 132 ILE HN . 25894 1 234 . 1 1 132 132 ILE N N 15 124.233 0.1 . 1 . . . . 132 ILE N . 25894 1 235 . 1 1 133 133 GLU H H 1 8.792 0.02 . 1 . . . . 133 GLU HN . 25894 1 236 . 1 1 133 133 GLU N N 15 128.977 0.1 . 1 . . . . 133 GLU N . 25894 1 237 . 1 1 134 134 LYS H H 1 8.314 0.02 . 1 . . . . 134 LYS HN . 25894 1 238 . 1 1 134 134 LYS N N 15 122.326 0.1 . 1 . . . . 134 LYS N . 25894 1 239 . 1 1 135 135 GLY H H 1 8.842 0.02 . 1 . . . . 135 GLY HN . 25894 1 240 . 1 1 135 135 GLY N N 15 113.784 0.1 . 1 . . . . 135 GLY N . 25894 1 241 . 1 1 136 136 GLN H H 1 7.684 0.02 . 1 . . . . 136 GLN HN . 25894 1 242 . 1 1 136 136 GLN N N 15 118.346 0.1 . 1 . . . . 136 GLN N . 25894 1 243 . 1 1 137 137 VAL H H 1 8.897 0.02 . 1 . . . . 137 VAL HN . 25894 1 244 . 1 1 137 137 VAL N N 15 122.736 0.1 . 1 . . . . 137 VAL N . 25894 1 245 . 1 1 138 138 ARG H H 1 8.932 0.02 . 1 . . . . 138 ARG HN . 25894 1 246 . 1 1 138 138 ARG N N 15 121.437 0.1 . 1 . . . . 138 ARG N . 25894 1 247 . 1 1 139 139 LEU H H 1 9.097 0.02 . 1 . . . . 139 LEU HN . 25894 1 248 . 1 1 139 139 LEU N N 15 121.498 0.1 . 1 . . . . 139 LEU N . 25894 1 249 . 1 1 140 140 SER H H 1 9.302 0.02 . 1 . . . . 140 SER HN . 25894 1 250 . 1 1 140 140 SER N N 15 115.858 0.1 . 1 . . . . 140 SER N . 25894 1 251 . 1 1 141 141 LYS H H 1 7.845 0.02 . 1 . . . . 141 LYS HN . 25894 1 252 . 1 1 141 141 LYS N N 15 118.759 0.1 . 1 . . . . 141 LYS N . 25894 1 253 . 1 1 142 142 LYS H H 1 8.119 0.02 . 1 . . . . 142 LYS HN . 25894 1 254 . 1 1 142 142 LYS N N 15 126.583 0.1 . 1 . . . . 142 LYS N . 25894 1 255 . 1 1 143 143 MET H H 1 8.822 0.02 . 1 . . . . 143 MET HN . 25894 1 256 . 1 1 143 143 MET N N 15 119.950 0.1 . 1 . . . . 143 MET N . 25894 1 257 . 1 1 144 144 VAL H H 1 8.269 0.02 . 1 . . . . 144 VAL HN . 25894 1 258 . 1 1 144 144 VAL N N 15 122.418 0.1 . 1 . . . . 144 VAL N . 25894 1 259 . 1 1 145 145 ASP H H 1 9.859 0.02 . 1 . . . . 145 ASP HN . 25894 1 260 . 1 1 145 145 ASP N N 15 131.824 0.1 . 1 . . . . 145 ASP N . 25894 1 261 . 1 1 147 147 GLU H H 1 8.360 0.02 . 1 . . . . 147 GLU HN . 25894 1 262 . 1 1 147 147 GLU N N 15 115.447 0.1 . 1 . . . . 147 GLU N . 25894 1 263 . 1 1 148 148 LYS H H 1 7.709 0.02 . 1 . . . . 148 LYS HN . 25894 1 264 . 1 1 148 148 LYS N N 15 117.979 0.1 . 1 . . . . 148 LYS N . 25894 1 265 . 1 1 150 150 GLN H H 1 9.439 0.02 . 1 . . . . 150 GLN HN . 25894 1 266 . 1 1 150 150 GLN N N 15 119.667 0.1 . 1 . . . . 150 GLN N . 25894 1 267 . 1 1 151 151 LEU H H 1 7.200 0.02 . 1 . . . . 151 LEU HN . 25894 1 268 . 1 1 151 151 LEU N N 15 117.751 0.1 . 1 . . . . 151 LEU N . 25894 1 269 . 1 1 152 152 GLY H H 1 7.492 0.02 . 1 . . . . 152 GLY HN . 25894 1 270 . 1 1 152 152 GLY N N 15 103.969 0.1 . 1 . . . . 152 GLY N . 25894 1 271 . 1 1 153 153 MET H H 1 8.298 0.02 . 1 . . . . 153 MET HN . 25894 1 272 . 1 1 153 153 MET N N 15 119.918 0.1 . 1 . . . . 153 MET N . 25894 1 273 . 1 1 154 154 ILE H H 1 8.210 0.02 . 1 . . . . 154 ILE HN . 25894 1 274 . 1 1 154 154 ILE N N 15 121.506 0.1 . 1 . . . . 154 ILE N . 25894 1 275 . 1 1 155 155 ASP H H 1 8.174 0.02 . 1 . . . . 155 ASP HN . 25894 1 276 . 1 1 155 155 ASP N N 15 119.121 0.1 . 1 . . . . 155 ASP N . 25894 1 277 . 1 1 156 156 ARG H H 1 7.854 0.02 . 1 . . . . 156 ARG HN . 25894 1 278 . 1 1 156 156 ARG N N 15 123.725 0.1 . 1 . . . . 156 ARG N . 25894 1 279 . 1 1 157 157 TRP H H 1 8.562 0.02 . 1 . . . . 157 TRP HN . 25894 1 280 . 1 1 157 157 TRP N N 15 122.260 0.1 . 1 . . . . 157 TRP N . 25894 1 281 . 1 1 158 158 TYR H H 1 9.792 0.02 . 1 . . . . 158 TYR HN . 25894 1 282 . 1 1 158 158 TYR N N 15 114.471 0.1 . 1 . . . . 158 TYR N . 25894 1 283 . 1 1 159 159 HIS H H 1 9.512 0.02 . 1 . . . . 159 HIS HN . 25894 1 284 . 1 1 159 159 HIS N N 15 120.593 0.1 . 1 . . . . 159 HIS N . 25894 1 285 . 1 1 161 161 GLY H H 1 9.274 0.02 . 1 . . . . 161 GLY HN . 25894 1 286 . 1 1 161 161 GLY N N 15 102.586 0.1 . 1 . . . . 161 GLY N . 25894 1 287 . 1 1 162 162 CYS H H 1 7.203 0.02 . 1 . . . . 162 CYS HN . 25894 1 288 . 1 1 162 162 CYS N N 15 122.149 0.1 . 1 . . . . 162 CYS N . 25894 1 289 . 1 1 163 163 PHE H H 1 8.686 0.02 . 1 . . . . 163 PHE HN . 25894 1 290 . 1 1 163 163 PHE N N 15 124.010 0.1 . 1 . . . . 163 PHE N . 25894 1 291 . 1 1 164 164 VAL H H 1 8.260 0.02 . 1 . . . . 164 VAL HN . 25894 1 292 . 1 1 164 164 VAL N N 15 115.883 0.1 . 1 . . . . 164 VAL N . 25894 1 293 . 1 1 165 165 LYS H H 1 7.528 0.02 . 1 . . . . 165 LYS HN . 25894 1 294 . 1 1 165 165 LYS N N 15 118.395 0.1 . 1 . . . . 165 LYS N . 25894 1 295 . 1 1 166 166 ASN H H 1 7.209 0.02 . 1 . . . . 166 ASN HN . 25894 1 296 . 1 1 166 166 ASN N N 15 115.733 0.1 . 1 . . . . 166 ASN N . 25894 1 297 . 1 1 167 167 ARG H H 1 7.147 0.02 . 1 . . . . 167 ARG HN . 25894 1 298 . 1 1 167 167 ARG N N 15 119.255 0.1 . 1 . . . . 167 ARG N . 25894 1 299 . 1 1 168 168 GLU H H 1 8.444 0.02 . 1 . . . . 168 GLU HN . 25894 1 300 . 1 1 168 168 GLU N N 15 118.460 0.1 . 1 . . . . 168 GLU N . 25894 1 301 . 1 1 169 169 GLU H H 1 8.436 0.02 . 1 . . . . 169 GLU HN . 25894 1 302 . 1 1 169 169 GLU N N 15 123.047 0.1 . 1 . . . . 169 GLU N . 25894 1 303 . 1 1 170 170 LEU H H 1 7.795 0.02 . 1 . . . . 170 LEU HN . 25894 1 304 . 1 1 170 170 LEU N N 15 116.057 0.1 . 1 . . . . 170 LEU N . 25894 1 305 . 1 1 171 171 GLY H H 1 7.770 0.02 . 1 . . . . 171 GLY HN . 25894 1 306 . 1 1 171 171 GLY N N 15 106.774 0.1 . 1 . . . . 171 GLY N . 25894 1 307 . 1 1 172 172 PHE H H 1 8.167 0.02 . 1 . . . . 172 PHE HN . 25894 1 308 . 1 1 172 172 PHE N N 15 123.767 0.1 . 1 . . . . 172 PHE N . 25894 1 309 . 1 1 173 173 ARG H H 1 5.962 0.02 . 1 . . . . 173 ARG HN . 25894 1 310 . 1 1 173 173 ARG N N 15 126.827 0.1 . 1 . . . . 173 ARG N . 25894 1 311 . 1 1 175 175 GLU H H 1 9.001 0.02 . 1 . . . . 175 GLU HN . 25894 1 312 . 1 1 175 175 GLU N N 15 112.654 0.1 . 1 . . . . 175 GLU N . 25894 1 313 . 1 1 176 176 TYR H H 1 7.536 0.02 . 1 . . . . 176 TYR HN . 25894 1 314 . 1 1 176 176 TYR N N 15 122.438 0.1 . 1 . . . . 176 TYR N . 25894 1 315 . 1 1 177 177 SER H H 1 8.142 0.02 . 1 . . . . 177 SER HN . 25894 1 316 . 1 1 177 177 SER N N 15 112.090 0.1 . 1 . . . . 177 SER N . 25894 1 317 . 1 1 178 178 ALA H H 1 8.472 0.02 . 1 . . . . 178 ALA HN . 25894 1 318 . 1 1 178 178 ALA N N 15 121.915 0.1 . 1 . . . . 178 ALA N . 25894 1 319 . 1 1 179 179 SER H H 1 7.503 0.02 . 1 . . . . 179 SER HN . 25894 1 320 . 1 1 179 179 SER N N 15 106.439 0.1 . 1 . . . . 179 SER N . 25894 1 321 . 1 1 180 180 GLN H H 1 7.625 0.02 . 1 . . . . 180 GLN HN . 25894 1 322 . 1 1 180 180 GLN N N 15 118.398 0.1 . 1 . . . . 180 GLN N . 25894 1 323 . 1 1 181 181 LEU H H 1 7.696 0.02 . 1 . . . . 181 LEU HN . 25894 1 324 . 1 1 181 181 LEU N N 15 119.521 0.1 . 1 . . . . 181 LEU N . 25894 1 325 . 1 1 182 182 LYS H H 1 9.112 0.02 . 1 . . . . 182 LYS HN . 25894 1 326 . 1 1 182 182 LYS N N 15 128.447 0.1 . 1 . . . . 182 LYS N . 25894 1 327 . 1 1 183 183 GLY H H 1 8.983 0.02 . 1 . . . . 183 GLY HN . 25894 1 328 . 1 1 183 183 GLY N N 15 114.413 0.1 . 1 . . . . 183 GLY N . 25894 1 329 . 1 1 184 184 PHE H H 1 8.219 0.02 . 1 . . . . 184 PHE HN . 25894 1 330 . 1 1 184 184 PHE N N 15 123.129 0.1 . 1 . . . . 184 PHE N . 25894 1 331 . 1 1 185 185 SER H H 1 8.541 0.02 . 1 . . . . 185 SER HN . 25894 1 332 . 1 1 185 185 SER N N 15 107.737 0.1 . 1 . . . . 185 SER N . 25894 1 333 . 1 1 186 186 LEU H H 1 7.424 0.02 . 1 . . . . 186 LEU HN . 25894 1 334 . 1 1 186 186 LEU N N 15 119.796 0.1 . 1 . . . . 186 LEU N . 25894 1 335 . 1 1 187 187 LEU H H 1 7.281 0.02 . 1 . . . . 187 LEU HN . 25894 1 336 . 1 1 187 187 LEU N N 15 119.053 0.1 . 1 . . . . 187 LEU N . 25894 1 337 . 1 1 188 188 ALA H H 1 8.766 0.02 . 1 . . . . 188 ALA HN . 25894 1 338 . 1 1 188 188 ALA N N 15 122.176 0.1 . 1 . . . . 188 ALA N . 25894 1 339 . 1 1 189 189 THR H H 1 8.896 0.02 . 1 . . . . 189 THR HN . 25894 1 340 . 1 1 189 189 THR N N 15 119.008 0.1 . 1 . . . . 189 THR N . 25894 1 341 . 1 1 190 190 GLU H H 1 9.652 0.02 . 1 . . . . 190 GLU HN . 25894 1 342 . 1 1 190 190 GLU N N 15 118.438 0.1 . 1 . . . . 190 GLU N . 25894 1 343 . 1 1 191 191 ASP H H 1 7.134 0.02 . 1 . . . . 191 ASP HN . 25894 1 344 . 1 1 191 191 ASP N N 15 118.669 0.1 . 1 . . . . 191 ASP N . 25894 1 345 . 1 1 192 192 LYS H H 1 8.238 0.02 . 1 . . . . 192 LYS HN . 25894 1 346 . 1 1 192 192 LYS N N 15 120.847 0.1 . 1 . . . . 192 LYS N . 25894 1 347 . 1 1 193 193 GLU H H 1 8.235 0.02 . 1 . . . . 193 GLU HN . 25894 1 348 . 1 1 193 193 GLU N N 15 115.966 0.1 . 1 . . . . 193 GLU N . 25894 1 349 . 1 1 194 194 ALA H H 1 7.614 0.02 . 1 . . . . 194 ALA HN . 25894 1 350 . 1 1 194 194 ALA N N 15 121.125 0.1 . 1 . . . . 194 ALA N . 25894 1 351 . 1 1 195 195 LEU H H 1 8.087 0.02 . 1 . . . . 195 LEU HN . 25894 1 352 . 1 1 195 195 LEU N N 15 118.169 0.1 . 1 . . . . 195 LEU N . 25894 1 353 . 1 1 196 196 LYS H H 1 8.452 0.02 . 1 . . . . 196 LYS HN . 25894 1 354 . 1 1 196 196 LYS N N 15 118.884 0.1 . 1 . . . . 196 LYS N . 25894 1 355 . 1 1 197 197 LYS H H 1 7.332 0.02 . 1 . . . . 197 LYS HN . 25894 1 356 . 1 1 197 197 LYS N N 15 115.338 0.1 . 1 . . . . 197 LYS N . 25894 1 357 . 1 1 198 198 GLN H H 1 7.339 0.02 . 1 . . . . 198 GLN HN . 25894 1 358 . 1 1 198 198 GLN N N 15 115.906 0.1 . 1 . . . . 198 GLN N . 25894 1 359 . 1 1 199 199 LEU H H 1 8.057 0.02 . 1 . . . . 199 LEU HN . 25894 1 360 . 1 1 199 199 LEU N N 15 117.922 0.1 . 1 . . . . 199 LEU N . 25894 1 361 . 1 1 201 201 GLY H H 1 8.422 0.02 . 1 . . . . 201 GLY HN . 25894 1 362 . 1 1 201 201 GLY N N 15 108.542 0.1 . 1 . . . . 201 GLY N . 25894 1 363 . 1 1 202 202 VAL H H 1 8.093 0.02 . 1 . . . . 202 VAL HN . 25894 1 364 . 1 1 202 202 VAL N N 15 120.243 0.1 . 1 . . . . 202 VAL N . 25894 1 365 . 1 1 203 203 LYS H H 1 8.398 0.02 . 1 . . . . 203 LYS HN . 25894 1 366 . 1 1 203 203 LYS N N 15 125.116 0.1 . 1 . . . . 203 LYS N . 25894 1 367 . 1 1 204 204 SER H H 1 8.398 0.02 . 1 . . . . 204 SER HN . 25894 1 368 . 1 1 204 204 SER N N 15 117.789 0.1 . 1 . . . . 204 SER N . 25894 1 369 . 1 1 205 205 GLU H H 1 8.547 0.02 . 1 . . . . 205 GLU HN . 25894 1 370 . 1 1 205 205 GLU N N 15 123.167 0.1 . 1 . . . . 205 GLU N . 25894 1 371 . 1 1 206 206 GLY H H 1 8.411 0.02 . 1 . . . . 206 GLY HN . 25894 1 372 . 1 1 206 206 GLY N N 15 109.671 0.1 . 1 . . . . 206 GLY N . 25894 1 373 . 1 1 207 207 LYS H H 1 8.162 0.02 . 1 . . . . 207 LYS HN . 25894 1 374 . 1 1 207 207 LYS N N 15 120.944 0.1 . 1 . . . . 207 LYS N . 25894 1 375 . 1 1 208 208 ARG H H 1 8.434 0.02 . 1 . . . . 208 ARG HN . 25894 1 376 . 1 1 208 208 ARG N N 15 122.737 0.1 . 1 . . . . 208 ARG N . 25894 1 377 . 1 1 210 210 GLY H H 1 8.564 0.02 . 1 . . . . 210 GLY HN . 25894 1 378 . 1 1 210 210 GLY N N 15 110.385 0.1 . 1 . . . . 210 GLY N . 25894 1 379 . 1 1 211 211 ASP H H 1 8.232 0.02 . 1 . . . . 211 ASP HN . 25894 1 380 . 1 1 211 211 ASP N N 15 120.168 0.1 . 1 . . . . 211 ASP N . 25894 1 381 . 1 1 212 212 GLU H H 1 8.419 0.02 . 1 . . . . 212 GLU HN . 25894 1 382 . 1 1 212 212 GLU N N 15 120.573 0.1 . 1 . . . . 212 GLU N . 25894 1 383 . 1 1 213 213 VAL H H 1 8.053 0.02 . 1 . . . . 213 VAL HN . 25894 1 384 . 1 1 213 213 VAL N N 15 119.740 0.1 . 1 . . . . 213 VAL N . 25894 1 385 . 1 1 214 214 ASP H H 1 8.346 0.02 . 1 . . . . 214 ASP HN . 25894 1 386 . 1 1 214 214 ASP N N 15 123.527 0.1 . 1 . . . . 214 ASP N . 25894 1 387 . 1 1 215 215 GLY H H 1 8.386 0.02 . 1 . . . . 215 GLY HN . 25894 1 388 . 1 1 215 215 GLY N N 15 108.949 0.1 . 1 . . . . 215 GLY N . 25894 1 389 . 1 1 216 216 VAL H H 1 8.071 0.02 . 1 . . . . 216 VAL HN . 25894 1 390 . 1 1 216 216 VAL N N 15 118.775 0.1 . 1 . . . . 216 VAL N . 25894 1 391 . 1 1 217 217 ASP H H 1 8.403 0.02 . 1 . . . . 217 ASP HN . 25894 1 392 . 1 1 217 217 ASP N N 15 122.885 0.1 . 1 . . . . 217 ASP N . 25894 1 393 . 1 1 218 218 GLU H H 1 8.280 0.02 . 1 . . . . 218 GLU HN . 25894 1 394 . 1 1 218 218 GLU N N 15 121.257 0.1 . 1 . . . . 218 GLU N . 25894 1 395 . 1 1 219 219 VAL H H 1 8.062 0.02 . 1 . . . . 219 VAL HN . 25894 1 396 . 1 1 219 219 VAL N N 15 120.413 0.1 . 1 . . . . 219 VAL N . 25894 1 397 . 1 1 220 220 ALA H H 1 8.172 0.02 . 1 . . . . 220 ALA HN . 25894 1 398 . 1 1 220 220 ALA N N 15 125.101 0.1 . 1 . . . . 220 ALA N . 25894 1 399 . 1 1 221 221 LYS H H 1 8.056 0.02 . 1 . . . . 221 LYS HN . 25894 1 400 . 1 1 221 221 LYS N N 15 119.359 0.1 . 1 . . . . 221 LYS N . 25894 1 401 . 1 1 222 222 LYS H H 1 8.234 0.02 . 1 . . . . 222 LYS HN . 25894 1 402 . 1 1 222 222 LYS N N 15 121.916 0.1 . 1 . . . . 222 LYS N . 25894 1 403 . 1 1 226 226 LYS H H 1 8.286 0.02 . 1 . . . . 226 LYS HN . 25894 1 404 . 1 1 226 226 LYS N N 15 121.640 0.1 . 1 . . . . 226 LYS N . 25894 1 405 . 1 1 227 227 GLU H H 1 8.360 0.02 . 1 . . . . 227 GLU HN . 25894 1 406 . 1 1 227 227 GLU N N 15 121.533 0.1 . 1 . . . . 227 GLU N . 25894 1 407 . 1 1 228 228 LYS H H 1 8.314 0.02 . 1 . . . . 228 LYS HN . 25894 1 408 . 1 1 228 228 LYS N N 15 121.775 0.1 . 1 . . . . 228 LYS N . 25894 1 409 . 1 1 229 229 ASP H H 1 8.429 0.02 . 1 . . . . 229 ASP HN . 25894 1 410 . 1 1 229 229 ASP N N 15 121.098 0.1 . 1 . . . . 229 ASP N . 25894 1 411 . 1 1 230 230 LYS H H 1 8.174 0.02 . 1 . . . . 230 LYS HN . 25894 1 412 . 1 1 230 230 LYS N N 15 121.290 0.1 . 1 . . . . 230 LYS N . 25894 1 413 . 1 1 231 231 ASP H H 1 8.399 0.02 . 1 . . . . 231 ASP HN . 25894 1 414 . 1 1 231 231 ASP N N 15 121.083 0.1 . 1 . . . . 231 ASP N . 25894 1 415 . 1 1 232 232 SER H H 1 8.429 0.02 . 1 . . . . 232 SER HN . 25894 1 416 . 1 1 232 232 SER N N 15 117.541 0.1 . 1 . . . . 232 SER N . 25894 1 417 . 1 1 233 233 LYS H H 1 8.353 0.02 . 1 . . . . 233 LYS HN . 25894 1 418 . 1 1 233 233 LYS N N 15 122.547 0.1 . 1 . . . . 233 LYS N . 25894 1 419 . 1 1 234 234 LEU H H 1 8.128 0.02 . 1 . . . . 234 LEU HN . 25894 1 420 . 1 1 234 234 LEU N N 15 121.822 0.1 . 1 . . . . 234 LEU N . 25894 1 421 . 1 1 235 235 GLU H H 1 8.167 0.02 . 1 . . . . 235 GLU HN . 25894 1 422 . 1 1 235 235 GLU N N 15 119.005 0.1 . 1 . . . . 235 GLU N . 25894 1 423 . 1 1 236 236 LYS H H 1 8.101 0.02 . 1 . . . . 236 LYS HN . 25894 1 424 . 1 1 236 236 LYS N N 15 119.012 0.1 . 1 . . . . 236 LYS N . 25894 1 425 . 1 1 237 237 ALA H H 1 8.004 0.02 . 1 . . . . 237 ALA HN . 25894 1 426 . 1 1 237 237 ALA N N 15 123.492 0.1 . 1 . . . . 237 ALA N . 25894 1 427 . 1 1 238 238 LEU H H 1 8.732 0.02 . 1 . . . . 238 LEU HN . 25894 1 428 . 1 1 238 238 LEU N N 15 121.781 0.1 . 1 . . . . 238 LEU N . 25894 1 429 . 1 1 239 239 LYS H H 1 7.957 0.02 . 1 . . . . 239 LYS HN . 25894 1 430 . 1 1 239 239 LYS N N 15 120.639 0.1 . 1 . . . . 239 LYS N . 25894 1 431 . 1 1 240 240 ALA H H 1 7.918 0.02 . 1 . . . . 240 ALA HN . 25894 1 432 . 1 1 240 240 ALA N N 15 119.665 0.1 . 1 . . . . 240 ALA N . 25894 1 433 . 1 1 241 241 GLN H H 1 8.002 0.02 . 1 . . . . 241 GLN HN . 25894 1 434 . 1 1 241 241 GLN N N 15 119.517 0.1 . 1 . . . . 241 GLN N . 25894 1 435 . 1 1 242 242 ASN H H 1 8.487 0.02 . 1 . . . . 242 ASN HN . 25894 1 436 . 1 1 242 242 ASN N N 15 118.823 0.1 . 1 . . . . 242 ASN N . 25894 1 437 . 1 1 243 243 ASP H H 1 8.875 0.02 . 1 . . . . 243 ASP HN . 25894 1 438 . 1 1 243 243 ASP N N 15 120.627 0.1 . 1 . . . . 243 ASP N . 25894 1 439 . 1 1 244 244 LEU H H 1 7.858 0.02 . 1 . . . . 244 LEU HN . 25894 1 440 . 1 1 244 244 LEU N N 15 122.335 0.1 . 1 . . . . 244 LEU N . 25894 1 441 . 1 1 245 245 ILE H H 1 8.062 0.02 . 1 . . . . 245 ILE HN . 25894 1 442 . 1 1 245 245 ILE N N 15 118.204 0.1 . 1 . . . . 245 ILE N . 25894 1 443 . 1 1 246 246 TRP H H 1 8.421 0.02 . 1 . . . . 246 TRP HN . 25894 1 444 . 1 1 246 246 TRP N N 15 118.786 0.1 . 1 . . . . 246 TRP N . 25894 1 445 . 1 1 247 247 ASN H H 1 8.484 0.02 . 1 . . . . 247 ASN HN . 25894 1 446 . 1 1 247 247 ASN N N 15 118.163 0.1 . 1 . . . . 247 ASN N . 25894 1 447 . 1 1 248 248 ILE H H 1 8.320 0.02 . 1 . . . . 248 ILE HN . 25894 1 448 . 1 1 248 248 ILE N N 15 120.395 0.1 . 1 . . . . 248 ILE N . 25894 1 449 . 1 1 249 249 LYS H H 1 8.275 0.02 . 1 . . . . 249 LYS HN . 25894 1 450 . 1 1 249 249 LYS N N 15 118.772 0.1 . 1 . . . . 249 LYS N . 25894 1 451 . 1 1 251 251 GLU H H 1 7.934 0.02 . 1 . . . . 251 GLU HN . 25894 1 452 . 1 1 251 251 GLU N N 15 118.519 0.1 . 1 . . . . 251 GLU N . 25894 1 453 . 1 1 252 252 LEU H H 1 8.808 0.02 . 1 . . . . 252 LEU HN . 25894 1 454 . 1 1 252 252 LEU N N 15 119.036 0.1 . 1 . . . . 252 LEU N . 25894 1 455 . 1 1 253 253 LYS H H 1 7.820 0.02 . 1 . . . . 253 LYS HN . 25894 1 456 . 1 1 253 253 LYS N N 15 115.272 0.1 . 1 . . . . 253 LYS N . 25894 1 457 . 1 1 254 254 LYS H H 1 7.393 0.02 . 1 . . . . 254 LYS HN . 25894 1 458 . 1 1 254 254 LYS N N 15 116.040 0.1 . 1 . . . . 254 LYS N . 25894 1 459 . 1 1 255 255 VAL H H 1 7.590 0.02 . 1 . . . . 255 VAL HN . 25894 1 460 . 1 1 255 255 VAL N N 15 109.953 0.1 . 1 . . . . 255 VAL N . 25894 1 461 . 1 1 256 256 CYS H H 1 8.296 0.02 . 1 . . . . 256 CYS HN . 25894 1 462 . 1 1 256 256 CYS N N 15 118.783 0.1 . 1 . . . . 256 CYS N . 25894 1 463 . 1 1 257 257 SER H H 1 9.326 0.02 . 1 . . . . 257 SER HN . 25894 1 464 . 1 1 257 257 SER N N 15 118.963 0.1 . 1 . . . . 257 SER N . 25894 1 465 . 1 1 258 258 THR H H 1 8.990 0.02 . 1 . . . . 258 THR HN . 25894 1 466 . 1 1 258 258 THR N N 15 117.696 0.1 . 1 . . . . 258 THR N . 25894 1 467 . 1 1 259 259 ASN H H 1 8.487 0.02 . 1 . . . . 259 ASN HN . 25894 1 468 . 1 1 259 259 ASN N N 15 119.037 0.1 . 1 . . . . 259 ASN N . 25894 1 469 . 1 1 260 260 ASP H H 1 7.990 0.02 . 1 . . . . 260 ASP HN . 25894 1 470 . 1 1 260 260 ASP N N 15 120.897 0.1 . 1 . . . . 260 ASP N . 25894 1 471 . 1 1 261 261 LEU H H 1 7.785 0.02 . 1 . . . . 261 LEU HN . 25894 1 472 . 1 1 261 261 LEU N N 15 117.445 0.1 . 1 . . . . 261 LEU N . 25894 1 473 . 1 1 262 262 LYS H H 1 8.243 0.02 . 1 . . . . 262 LYS HN . 25894 1 474 . 1 1 262 262 LYS N N 15 117.746 0.1 . 1 . . . . 262 LYS N . 25894 1 475 . 1 1 263 263 GLU H H 1 8.067 0.02 . 1 . . . . 263 GLU HN . 25894 1 476 . 1 1 263 263 GLU N N 15 116.907 0.1 . 1 . . . . 263 GLU N . 25894 1 477 . 1 1 264 264 LEU H H 1 8.057 0.02 . 1 . . . . 264 LEU HN . 25894 1 478 . 1 1 264 264 LEU N N 15 119.900 0.1 . 1 . . . . 264 LEU N . 25894 1 479 . 1 1 265 265 LEU H H 1 7.845 0.02 . 1 . . . . 265 LEU HN . 25894 1 480 . 1 1 265 265 LEU N N 15 119.776 0.1 . 1 . . . . 265 LEU N . 25894 1 481 . 1 1 266 266 ILE H H 1 8.517 0.02 . 1 . . . . 266 ILE HN . 25894 1 482 . 1 1 266 266 ILE N N 15 121.264 0.1 . 1 . . . . 266 ILE N . 25894 1 483 . 1 1 267 267 PHE H H 1 8.870 0.02 . 1 . . . . 267 PHE HN . 25894 1 484 . 1 1 267 267 PHE N N 15 123.123 0.1 . 1 . . . . 267 PHE N . 25894 1 485 . 1 1 268 268 ASN H H 1 7.123 0.02 . 1 . . . . 268 ASN HN . 25894 1 486 . 1 1 268 268 ASN N N 15 113.057 0.1 . 1 . . . . 268 ASN N . 25894 1 487 . 1 1 269 269 LYS H H 1 8.334 0.02 . 1 . . . . 269 LYS HN . 25894 1 488 . 1 1 269 269 LYS N N 15 118.069 0.1 . 1 . . . . 269 LYS N . 25894 1 489 . 1 1 270 270 GLN H H 1 8.364 0.02 . 1 . . . . 270 GLN HN . 25894 1 490 . 1 1 270 270 GLN N N 15 116.310 0.1 . 1 . . . . 270 GLN N . 25894 1 491 . 1 1 271 271 GLN H H 1 8.186 0.02 . 1 . . . . 271 GLN HN . 25894 1 492 . 1 1 271 271 GLN N N 15 120.617 0.1 . 1 . . . . 271 GLN N . 25894 1 493 . 1 1 272 272 VAL H H 1 8.602 0.02 . 1 . . . . 272 VAL HN . 25894 1 494 . 1 1 272 272 VAL N N 15 123.802 0.1 . 1 . . . . 272 VAL N . 25894 1 495 . 1 1 274 274 SER H H 1 8.246 0.02 . 1 . . . . 274 SER HN . 25894 1 496 . 1 1 274 274 SER N N 15 111.184 0.1 . 1 . . . . 274 SER N . 25894 1 497 . 1 1 276 276 GLU H H 1 8.821 0.02 . 1 . . . . 276 GLU HN . 25894 1 498 . 1 1 276 276 GLU N N 15 124.231 0.1 . 1 . . . . 276 GLU N . 25894 1 499 . 1 1 278 278 ALA H H 1 7.616 0.02 . 1 . . . . 278 ALA HN . 25894 1 500 . 1 1 278 278 ALA N N 15 124.458 0.1 . 1 . . . . 278 ALA N . 25894 1 501 . 1 1 279 279 ILE H H 1 7.996 0.02 . 1 . . . . 279 ILE HN . 25894 1 502 . 1 1 279 279 ILE N N 15 119.007 0.1 . 1 . . . . 279 ILE N . 25894 1 503 . 1 1 280 280 LEU H H 1 7.851 0.02 . 1 . . . . 280 LEU HN . 25894 1 504 . 1 1 280 280 LEU N N 15 118.441 0.1 . 1 . . . . 280 LEU N . 25894 1 505 . 1 1 281 281 ASP H H 1 8.099 0.02 . 1 . . . . 281 ASP HN . 25894 1 506 . 1 1 281 281 ASP N N 15 117.423 0.1 . 1 . . . . 281 ASP N . 25894 1 507 . 1 1 282 282 ARG H H 1 8.268 0.02 . 1 . . . . 282 ARG HN . 25894 1 508 . 1 1 282 282 ARG N N 15 117.965 0.1 . 1 . . . . 282 ARG N . 25894 1 509 . 1 1 283 283 VAL H H 1 8.464 0.02 . 1 . . . . 283 VAL HN . 25894 1 510 . 1 1 283 283 VAL N N 15 121.570 0.1 . 1 . . . . 283 VAL N . 25894 1 511 . 1 1 284 284 ALA H H 1 8.203 0.02 . 1 . . . . 284 ALA HN . 25894 1 512 . 1 1 284 284 ALA N N 15 120.611 0.1 . 1 . . . . 284 ALA N . 25894 1 513 . 1 1 285 285 ASP H H 1 7.572 0.02 . 1 . . . . 285 ASP HN . 25894 1 514 . 1 1 285 285 ASP N N 15 113.865 0.1 . 1 . . . . 285 ASP N . 25894 1 515 . 1 1 286 286 GLY H H 1 7.525 0.02 . 1 . . . . 286 GLY HN . 25894 1 516 . 1 1 286 286 GLY N N 15 105.324 0.1 . 1 . . . . 286 GLY N . 25894 1 517 . 1 1 287 287 MET H H 1 7.739 0.02 . 1 . . . . 287 MET HN . 25894 1 518 . 1 1 287 287 MET N N 15 117.665 0.1 . 1 . . . . 287 MET N . 25894 1 519 . 1 1 288 288 VAL H H 1 7.357 0.02 . 1 . . . . 288 VAL HN . 25894 1 520 . 1 1 288 288 VAL N N 15 115.316 0.1 . 1 . . . . 288 VAL N . 25894 1 521 . 1 1 289 289 PHE H H 1 7.843 0.02 . 1 . . . . 289 PHE HN . 25894 1 522 . 1 1 289 289 PHE N N 15 114.285 0.1 . 1 . . . . 289 PHE N . 25894 1 523 . 1 1 290 290 GLY H H 1 7.918 0.02 . 1 . . . . 290 GLY HN . 25894 1 524 . 1 1 290 290 GLY N N 15 108.531 0.1 . 1 . . . . 290 GLY N . 25894 1 525 . 1 1 291 291 ALA H H 1 8.398 0.02 . 1 . . . . 291 ALA HN . 25894 1 526 . 1 1 291 291 ALA N N 15 124.309 0.1 . 1 . . . . 291 ALA N . 25894 1 527 . 1 1 292 292 LEU H H 1 8.424 0.02 . 1 . . . . 292 LEU HN . 25894 1 528 . 1 1 292 292 LEU N N 15 125.291 0.1 . 1 . . . . 292 LEU N . 25894 1 529 . 1 1 293 293 LEU H H 1 7.735 0.02 . 1 . . . . 293 LEU HN . 25894 1 530 . 1 1 293 293 LEU N N 15 122.919 0.1 . 1 . . . . 293 LEU N . 25894 1 531 . 1 1 295 295 CYS H H 1 9.039 0.02 . 1 . . . . 295 CYS HN . 25894 1 532 . 1 1 295 295 CYS N N 15 124.980 0.1 . 1 . . . . 295 CYS N . 25894 1 533 . 1 1 296 296 GLU H H 1 8.877 0.02 . 1 . . . . 296 GLU HN . 25894 1 534 . 1 1 296 296 GLU N N 15 129.098 0.1 . 1 . . . . 296 GLU N . 25894 1 535 . 1 1 297 297 GLU H H 1 9.564 0.02 . 1 . . . . 297 GLU HN . 25894 1 536 . 1 1 297 297 GLU N N 15 120.791 0.1 . 1 . . . . 297 GLU N . 25894 1 537 . 1 1 298 298 CYS H H 1 8.508 0.02 . 1 . . . . 298 CYS HN . 25894 1 538 . 1 1 298 298 CYS N N 15 119.072 0.1 . 1 . . . . 298 CYS N . 25894 1 539 . 1 1 299 299 SER H H 1 7.969 0.02 . 1 . . . . 299 SER HN . 25894 1 540 . 1 1 299 299 SER N N 15 117.119 0.1 . 1 . . . . 299 SER N . 25894 1 541 . 1 1 300 300 GLY H H 1 10.008 0.02 . 1 . . . . 300 GLY HN . 25894 1 542 . 1 1 300 300 GLY N N 15 116.698 0.1 . 1 . . . . 300 GLY N . 25894 1 543 . 1 1 301 301 GLN H H 1 8.196 0.02 . 1 . . . . 301 GLN HN . 25894 1 544 . 1 1 301 301 GLN N N 15 117.032 0.1 . 1 . . . . 301 GLN N . 25894 1 545 . 1 1 302 302 LEU H H 1 10.011 0.02 . 1 . . . . 302 LEU HN . 25894 1 546 . 1 1 302 302 LEU N N 15 133.391 0.1 . 1 . . . . 302 LEU N . 25894 1 547 . 1 1 303 303 VAL H H 1 9.238 0.02 . 1 . . . . 303 VAL HN . 25894 1 548 . 1 1 303 303 VAL N N 15 118.097 0.1 . 1 . . . . 303 VAL N . 25894 1 549 . 1 1 304 304 PHE H H 1 9.118 0.02 . 1 . . . . 304 PHE HN . 25894 1 550 . 1 1 304 304 PHE N N 15 127.760 0.1 . 1 . . . . 304 PHE N . 25894 1 551 . 1 1 305 305 LYS H H 1 8.024 0.02 . 1 . . . . 305 LYS HN . 25894 1 552 . 1 1 305 305 LYS N N 15 129.393 0.1 . 1 . . . . 305 LYS N . 25894 1 553 . 1 1 306 306 SER H H 1 6.565 0.02 . 1 . . . . 306 SER HN . 25894 1 554 . 1 1 306 306 SER N N 15 111.526 0.1 . 1 . . . . 306 SER N . 25894 1 555 . 1 1 307 307 ASP H H 1 9.358 0.02 . 1 . . . . 307 ASP HN . 25894 1 556 . 1 1 307 307 ASP N N 15 119.764 0.1 . 1 . . . . 307 ASP N . 25894 1 557 . 1 1 308 308 ALA H H 1 7.517 0.02 . 1 . . . . 308 ALA HN . 25894 1 558 . 1 1 308 308 ALA N N 15 117.679 0.1 . 1 . . . . 308 ALA N . 25894 1 559 . 1 1 309 309 TYR H H 1 8.470 0.02 . 1 . . . . 309 TYR HN . 25894 1 560 . 1 1 309 309 TYR N N 15 116.199 0.1 . 1 . . . . 309 TYR N . 25894 1 561 . 1 1 310 310 TYR H H 1 9.227 0.02 . 1 . . . . 310 TYR HN . 25894 1 562 . 1 1 310 310 TYR N N 15 121.593 0.1 . 1 . . . . 310 TYR N . 25894 1 563 . 1 1 311 311 CYS H H 1 8.542 0.02 . 1 . . . . 311 CYS HN . 25894 1 564 . 1 1 311 311 CYS N N 15 124.358 0.1 . 1 . . . . 311 CYS N . 25894 1 565 . 1 1 312 312 THR H H 1 7.830 0.02 . 1 . . . . 312 THR HN . 25894 1 566 . 1 1 312 312 THR N N 15 118.140 0.1 . 1 . . . . 312 THR N . 25894 1 567 . 1 1 313 313 GLY H H 1 10.483 0.02 . 1 . . . . 313 GLY HN . 25894 1 568 . 1 1 313 313 GLY N N 15 120.181 0.1 . 1 . . . . 313 GLY N . 25894 1 569 . 1 1 314 314 ASP H H 1 8.206 0.02 . 1 . . . . 314 ASP HN . 25894 1 570 . 1 1 314 314 ASP N N 15 119.122 0.1 . 1 . . . . 314 ASP N . 25894 1 571 . 1 1 315 315 VAL H H 1 8.338 0.02 . 1 . . . . 315 VAL HN . 25894 1 572 . 1 1 315 315 VAL N N 15 123.176 0.1 . 1 . . . . 315 VAL N . 25894 1 573 . 1 1 316 316 THR H H 1 7.990 0.02 . 1 . . . . 316 THR HN . 25894 1 574 . 1 1 316 316 THR N N 15 109.408 0.1 . 1 . . . . 316 THR N . 25894 1 575 . 1 1 317 317 ALA H H 1 8.301 0.02 . 1 . . . . 317 ALA HN . 25894 1 576 . 1 1 317 317 ALA N N 15 120.243 0.1 . 1 . . . . 317 ALA N . 25894 1 577 . 1 1 318 318 TRP H H 1 7.778 0.02 . 1 . . . . 318 TRP HN . 25894 1 578 . 1 1 318 318 TRP HE1 H 1 10.141 0.02 . 1 . . . . 318 TRP HE1 . 25894 1 579 . 1 1 318 318 TRP N N 15 114.223 0.1 . 1 . . . . 318 TRP N . 25894 1 580 . 1 1 318 318 TRP NE1 N 15 128.982 0.1 . 1 . . . . 318 TRP NE1 . 25894 1 581 . 1 1 319 319 THR H H 1 7.388 0.02 . 1 . . . . 319 THR HN . 25894 1 582 . 1 1 319 319 THR N N 15 115.889 0.1 . 1 . . . . 319 THR N . 25894 1 583 . 1 1 320 320 LYS H H 1 8.571 0.02 . 1 . . . . 320 LYS HN . 25894 1 584 . 1 1 320 320 LYS N N 15 126.451 0.1 . 1 . . . . 320 LYS N . 25894 1 585 . 1 1 321 321 CYS H H 1 8.314 0.02 . 1 . . . . 321 CYS HN . 25894 1 586 . 1 1 321 321 CYS N N 15 124.598 0.1 . 1 . . . . 321 CYS N . 25894 1 587 . 1 1 322 322 MET H H 1 8.455 0.02 . 1 . . . . 322 MET HN . 25894 1 588 . 1 1 322 322 MET N N 15 125.134 0.1 . 1 . . . . 322 MET N . 25894 1 589 . 1 1 323 323 VAL H H 1 8.708 0.02 . 1 . . . . 323 VAL HN . 25894 1 590 . 1 1 323 323 VAL N N 15 125.509 0.1 . 1 . . . . 323 VAL N . 25894 1 591 . 1 1 324 324 LYS H H 1 7.837 0.02 . 1 . . . . 324 LYS HN . 25894 1 592 . 1 1 324 324 LYS N N 15 127.353 0.1 . 1 . . . . 324 LYS N . 25894 1 593 . 1 1 325 325 THR H H 1 9.201 0.02 . 1 . . . . 325 THR HN . 25894 1 594 . 1 1 325 325 THR N N 15 117.414 0.1 . 1 . . . . 325 THR N . 25894 1 595 . 1 1 326 326 GLN H H 1 9.041 0.02 . 1 . . . . 326 GLN HN . 25894 1 596 . 1 1 326 326 GLN N N 15 126.011 0.1 . 1 . . . . 326 GLN N . 25894 1 597 . 1 1 327 327 THR H H 1 8.857 0.02 . 1 . . . . 327 THR HN . 25894 1 598 . 1 1 327 327 THR N N 15 111.422 0.1 . 1 . . . . 327 THR N . 25894 1 599 . 1 1 329 329 ASN H H 1 8.390 0.02 . 1 . . . . 329 ASN HN . 25894 1 600 . 1 1 329 329 ASN N N 15 118.310 0.1 . 1 . . . . 329 ASN N . 25894 1 601 . 1 1 330 330 ARG H H 1 8.618 0.02 . 1 . . . . 330 ARG HN . 25894 1 602 . 1 1 330 330 ARG N N 15 122.197 0.1 . 1 . . . . 330 ARG N . 25894 1 603 . 1 1 331 331 LYS H H 1 9.171 0.02 . 1 . . . . 331 LYS HN . 25894 1 604 . 1 1 331 331 LYS N N 15 119.026 0.1 . 1 . . . . 331 LYS N . 25894 1 605 . 1 1 332 332 GLU H H 1 8.559 0.02 . 1 . . . . 332 GLU HN . 25894 1 606 . 1 1 332 332 GLU N N 15 119.855 0.1 . 1 . . . . 332 GLU N . 25894 1 607 . 1 1 333 333 TRP H H 1 9.123 0.02 . 1 . . . . 333 TRP HN . 25894 1 608 . 1 1 333 333 TRP N N 15 126.024 0.1 . 1 . . . . 333 TRP N . 25894 1 609 . 1 1 334 334 VAL H H 1 8.611 0.02 . 1 . . . . 334 VAL HN . 25894 1 610 . 1 1 334 334 VAL N N 15 128.163 0.1 . 1 . . . . 334 VAL N . 25894 1 611 . 1 1 335 335 THR H H 1 8.421 0.02 . 1 . . . . 335 THR HN . 25894 1 612 . 1 1 335 335 THR N N 15 119.494 0.1 . 1 . . . . 335 THR N . 25894 1 613 . 1 1 337 337 LYS H H 1 8.525 0.02 . 1 . . . . 337 LYS HN . 25894 1 614 . 1 1 337 337 LYS N N 15 122.433 0.1 . 1 . . . . 337 LYS N . 25894 1 615 . 1 1 338 338 GLU H H 1 8.872 0.02 . 1 . . . . 338 GLU HN . 25894 1 616 . 1 1 338 338 GLU N N 15 116.623 0.1 . 1 . . . . 338 GLU N . 25894 1 617 . 1 1 339 339 PHE H H 1 7.695 0.02 . 1 . . . . 339 PHE HN . 25894 1 618 . 1 1 339 339 PHE N N 15 120.123 0.1 . 1 . . . . 339 PHE N . 25894 1 619 . 1 1 340 340 ARG H H 1 7.591 0.02 . 1 . . . . 340 ARG HN . 25894 1 620 . 1 1 340 340 ARG N N 15 122.484 0.1 . 1 . . . . 340 ARG N . 25894 1 621 . 1 1 341 341 GLU H H 1 8.097 0.02 . 1 . . . . 341 GLU HN . 25894 1 622 . 1 1 341 341 GLU N N 15 118.361 0.1 . 1 . . . . 341 GLU N . 25894 1 623 . 1 1 342 342 ILE H H 1 7.862 0.02 . 1 . . . . 342 ILE HN . 25894 1 624 . 1 1 342 342 ILE N N 15 121.621 0.1 . 1 . . . . 342 ILE N . 25894 1 625 . 1 1 344 344 TYR H H 1 8.308 0.02 . 1 . . . . 344 TYR HN . 25894 1 626 . 1 1 344 344 TYR N N 15 120.230 0.1 . 1 . . . . 344 TYR N . 25894 1 627 . 1 1 345 345 LEU H H 1 7.283 0.02 . 1 . . . . 345 LEU HN . 25894 1 628 . 1 1 345 345 LEU N N 15 115.513 0.1 . 1 . . . . 345 LEU N . 25894 1 629 . 1 1 346 346 LYS H H 1 7.861 0.02 . 1 . . . . 346 LYS HN . 25894 1 630 . 1 1 346 346 LYS N N 15 118.973 0.1 . 1 . . . . 346 LYS N . 25894 1 631 . 1 1 347 347 LYS H H 1 7.595 0.02 . 1 . . . . 347 LYS HN . 25894 1 632 . 1 1 347 347 LYS N N 15 116.423 0.1 . 1 . . . . 347 LYS N . 25894 1 633 . 1 1 348 348 LEU H H 1 7.361 0.02 . 1 . . . . 348 LEU HN . 25894 1 634 . 1 1 348 348 LEU N N 15 119.793 0.1 . 1 . . . . 348 LEU N . 25894 1 635 . 1 1 349 349 LYS H H 1 7.990 0.02 . 1 . . . . 349 LYS HN . 25894 1 636 . 1 1 349 349 LYS N N 15 121.390 0.1 . 1 . . . . 349 LYS N . 25894 1 637 . 1 1 350 350 VAL H H 1 7.897 0.02 . 1 . . . . 350 VAL HN . 25894 1 638 . 1 1 350 350 VAL N N 15 119.670 0.1 . 1 . . . . 350 VAL N . 25894 1 639 . 1 1 351 351 LYS H H 1 8.238 0.02 . 1 . . . . 351 LYS HN . 25894 1 640 . 1 1 351 351 LYS N N 15 124.533 0.1 . 1 . . . . 351 LYS N . 25894 1 641 . 1 1 352 352 LYS H H 1 8.251 0.02 . 1 . . . . 352 LYS HN . 25894 1 642 . 1 1 352 352 LYS N N 15 123.038 0.1 . 1 . . . . 352 LYS N . 25894 1 643 . 1 1 353 353 GLN H H 1 8.597 0.02 . 1 . . . . 353 GLN HN . 25894 1 644 . 1 1 353 353 GLN N N 15 122.329 0.1 . 1 . . . . 353 GLN N . 25894 1 645 . 1 1 354 354 ASP H H 1 8.269 0.02 . 1 . . . . 354 ASP HN . 25894 1 646 . 1 1 354 354 ASP N N 15 118.994 0.1 . 1 . . . . 354 ASP N . 25894 1 647 . 1 1 355 355 ARG H H 1 8.293 0.02 . 1 . . . . 355 ARG HN . 25894 1 648 . 1 1 355 355 ARG N N 15 124.056 0.1 . 1 . . . . 355 ARG N . 25894 1 649 . 1 1 356 356 ILE H H 1 8.831 0.02 . 1 . . . . 356 ILE HN . 25894 1 650 . 1 1 356 356 ILE N N 15 127.213 0.1 . 1 . . . . 356 ILE N . 25894 1 651 . 1 1 357 357 PHE H H 1 8.692 0.02 . 1 . . . . 357 PHE HN . 25894 1 652 . 1 1 357 357 PHE N N 15 125.050 0.1 . 1 . . . . 357 PHE N . 25894 1 653 . 1 1 360 360 GLU H H 1 8.618 0.02 . 1 . . . . 360 GLU HN . 25894 1 654 . 1 1 360 360 GLU N N 15 120.686 0.1 . 1 . . . . 360 GLU N . 25894 1 655 . 1 1 361 361 THR H H 1 8.248 0.02 . 1 . . . . 361 THR HN . 25894 1 656 . 1 1 361 361 THR N N 15 114.765 0.1 . 1 . . . . 361 THR N . 25894 1 657 . 1 1 362 362 SER H H 1 8.010 0.02 . 1 . . . . 362 SER HN . 25894 1 658 . 1 1 362 362 SER N N 15 123.352 0.1 . 1 . . . . 362 SER N . 25894 1 stop_ save_ save_bound_WGR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode bound_WGR _Assigned_chem_shift_list.Entry_ID 25894 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-15N HSQC' 3 $sample_3 isotropic 25894 2 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 . 2 2 2 2 LYS H H 1 8.432 0.02 . 1 . . . . 524 LYS HN . 25894 2 2 . 2 2 2 2 LYS N N 15 123.209 0.1 . 1 . . . . 524 LYS N . 25894 2 3 . 2 2 3 3 LEU H H 1 8.327 0.02 . 1 . . . . 525 LEU HN . 25894 2 4 . 2 2 3 3 LEU N N 15 124.112 0.1 . 1 . . . . 525 LEU N . 25894 2 5 . 2 2 4 4 THR H H 1 8.132 0.02 . 1 . . . . 526 THR HN . 25894 2 6 . 2 2 4 4 THR N N 15 115.486 0.1 . 1 . . . . 526 THR N . 25894 2 7 . 2 2 5 5 LEU H H 1 8.240 0.02 . 1 . . . . 527 LEU HN . 25894 2 8 . 2 2 5 5 LEU N N 15 124.660 0.1 . 1 . . . . 527 LEU N . 25894 2 9 . 2 2 6 6 LYS H H 1 8.375 0.02 . 1 . . . . 528 LYS HN . 25894 2 10 . 2 2 6 6 LYS N N 15 122.084 0.1 . 1 . . . . 528 LYS N . 25894 2 11 . 2 2 7 7 GLY H H 1 8.392 0.02 . 1 . . . . 529 GLY HN . 25894 2 12 . 2 2 7 7 GLY N N 15 110.043 0.1 . 1 . . . . 529 GLY N . 25894 2 13 . 2 2 8 8 GLY H H 1 8.306 0.02 . 1 . . . . 530 GLY HN . 25894 2 14 . 2 2 8 8 GLY N N 15 108.754 0.1 . 1 . . . . 530 GLY N . 25894 2 15 . 2 2 9 9 ALA H H 1 8.201 0.02 . 1 . . . . 531 ALA HN . 25894 2 16 . 2 2 9 9 ALA N N 15 122.633 0.1 . 1 . . . . 531 ALA N . 25894 2 17 . 2 2 10 10 ALA H H 1 7.971 0.02 . 1 . . . . 532 ALA HN . 25894 2 18 . 2 2 10 10 ALA N N 15 122.759 0.1 . 1 . . . . 532 ALA N . 25894 2 19 . 2 2 11 11 VAL H H 1 8.709 0.02 . 1 . . . . 533 VAL HN . 25894 2 20 . 2 2 11 11 VAL N N 15 124.822 0.1 . 1 . . . . 533 VAL N . 25894 2 21 . 2 2 12 12 ASP H H 1 8.984 0.02 . 1 . . . . 534 ASP HN . 25894 2 22 . 2 2 12 12 ASP N N 15 129.892 0.1 . 1 . . . . 534 ASP N . 25894 2 23 . 2 2 14 14 ASP H H 1 9.197 0.02 . 1 . . . . 536 ASP HN . 25894 2 24 . 2 2 14 14 ASP N N 15 119.668 0.1 . 1 . . . . 536 ASP N . 25894 2 25 . 2 2 15 15 SER H H 1 7.640 0.02 . 1 . . . . 537 SER HN . 25894 2 26 . 2 2 15 15 SER N N 15 113.837 0.1 . 1 . . . . 537 SER N . 25894 2 27 . 2 2 16 16 GLY H H 1 7.256 0.02 . 1 . . . . 538 GLY HN . 25894 2 28 . 2 2 16 16 GLY N N 15 107.879 0.1 . 1 . . . . 538 GLY N . 25894 2 29 . 2 2 17 17 LEU H H 1 7.297 0.02 . 1 . . . . 539 LEU HN . 25894 2 30 . 2 2 17 17 LEU N N 15 118.420 0.1 . 1 . . . . 539 LEU N . 25894 2 31 . 2 2 18 18 GLU H H 1 8.883 0.02 . 1 . . . . 540 GLU HN . 25894 2 32 . 2 2 18 18 GLU N N 15 120.901 0.1 . 1 . . . . 540 GLU N . 25894 2 33 . 2 2 19 19 HIS H H 1 8.340 0.02 . 1 . . . . 541 HIS HN . 25894 2 34 . 2 2 19 19 HIS N N 15 114.457 0.1 . 1 . . . . 541 HIS N . 25894 2 35 . 2 2 20 20 SER H H 1 7.517 0.02 . 1 . . . . 542 SER HN . 25894 2 36 . 2 2 20 20 SER N N 15 112.586 0.1 . 1 . . . . 542 SER N . 25894 2 37 . 2 2 21 21 ALA H H 1 7.824 0.02 . 1 . . . . 543 ALA HN . 25894 2 38 . 2 2 21 21 ALA N N 15 124.096 0.1 . 1 . . . . 543 ALA N . 25894 2 39 . 2 2 22 22 HIS H H 1 8.042 0.02 . 1 . . . . 544 HIS HN . 25894 2 40 . 2 2 22 22 HIS N N 15 111.168 0.1 . 1 . . . . 544 HIS N . 25894 2 41 . 2 2 23 23 VAL H H 1 9.076 0.02 . 1 . . . . 545 VAL HN . 25894 2 42 . 2 2 23 23 VAL N N 15 122.580 0.1 . 1 . . . . 545 VAL N . 25894 2 43 . 2 2 24 24 LEU H H 1 8.645 0.02 . 1 . . . . 546 LEU HN . 25894 2 44 . 2 2 24 24 LEU N N 15 129.545 0.1 . 1 . . . . 546 LEU N . 25894 2 45 . 2 2 25 25 GLU H H 1 8.699 0.02 . 1 . . . . 547 GLU HN . 25894 2 46 . 2 2 25 25 GLU N N 15 126.414 0.1 . 1 . . . . 547 GLU N . 25894 2 47 . 2 2 26 26 LYS H H 1 8.744 0.02 . 1 . . . . 548 LYS HN . 25894 2 48 . 2 2 26 26 LYS N N 15 123.828 0.1 . 1 . . . . 548 LYS N . 25894 2 49 . 2 2 28 28 GLY H H 1 8.990 0.02 . 1 . . . . 550 GLY HN . 25894 2 50 . 2 2 28 28 GLY N N 15 107.001 0.1 . 1 . . . . 550 GLY N . 25894 2 51 . 2 2 29 29 LYS H H 1 7.682 0.02 . 1 . . . . 551 LYS HN . 25894 2 52 . 2 2 29 29 LYS N N 15 119.851 0.1 . 1 . . . . 551 LYS N . 25894 2 53 . 2 2 30 30 VAL H H 1 8.450 0.02 . 1 . . . . 552 VAL HN . 25894 2 54 . 2 2 30 30 VAL N N 15 121.968 0.1 . 1 . . . . 552 VAL N . 25894 2 55 . 2 2 31 31 PHE H H 1 9.140 0.02 . 1 . . . . 553 PHE HN . 25894 2 56 . 2 2 31 31 PHE N N 15 128.897 0.1 . 1 . . . . 553 PHE N . 25894 2 57 . 2 2 32 32 SER H H 1 8.404 0.02 . 1 . . . . 554 SER HN . 25894 2 58 . 2 2 32 32 SER N N 15 115.948 0.1 . 1 . . . . 554 SER N . 25894 2 59 . 2 2 33 33 ALA H H 1 9.775 0.02 . 1 . . . . 555 ALA HN . 25894 2 60 . 2 2 33 33 ALA N N 15 130.297 0.1 . 1 . . . . 555 ALA N . 25894 2 61 . 2 2 34 34 THR H H 1 9.038 0.02 . 1 . . . . 556 THR HN . 25894 2 62 . 2 2 34 34 THR N N 15 120.065 0.1 . 1 . . . . 556 THR N . 25894 2 63 . 2 2 35 35 LEU H H 1 9.509 0.02 . 1 . . . . 557 LEU HN . 25894 2 64 . 2 2 35 35 LEU N N 15 126.904 0.1 . 1 . . . . 557 LEU N . 25894 2 65 . 2 2 36 36 GLY H H 1 9.360 0.02 . 1 . . . . 558 GLY HN . 25894 2 66 . 2 2 36 36 GLY N N 15 108.020 0.1 . 1 . . . . 558 GLY N . 25894 2 67 . 2 2 37 37 LEU H H 1 7.800 0.02 . 1 . . . . 559 LEU HN . 25894 2 68 . 2 2 37 37 LEU N N 15 118.171 0.1 . 1 . . . . 559 LEU N . 25894 2 69 . 2 2 38 38 VAL H H 1 8.092 0.02 . 1 . . . . 560 VAL HN . 25894 2 70 . 2 2 38 38 VAL N N 15 127.567 0.1 . 1 . . . . 560 VAL N . 25894 2 71 . 2 2 39 39 ASP H H 1 8.456 0.02 . 1 . . . . 561 ASP HN . 25894 2 72 . 2 2 39 39 ASP N N 15 127.114 0.1 . 1 . . . . 561 ASP N . 25894 2 73 . 2 2 40 40 ILE H H 1 8.592 0.02 . 1 . . . . 562 ILE HN . 25894 2 74 . 2 2 40 40 ILE N N 15 123.573 0.1 . 1 . . . . 562 ILE N . 25894 2 75 . 2 2 41 41 VAL H H 1 8.052 0.02 . 1 . . . . 563 VAL HN . 25894 2 76 . 2 2 41 41 VAL N N 15 121.983 0.1 . 1 . . . . 563 VAL N . 25894 2 77 . 2 2 42 42 LYS H H 1 7.870 0.02 . 1 . . . . 564 LYS HN . 25894 2 78 . 2 2 42 42 LYS N N 15 117.488 0.1 . 1 . . . . 564 LYS N . 25894 2 79 . 2 2 43 43 GLY H H 1 8.126 0.02 . 1 . . . . 565 GLY HN . 25894 2 80 . 2 2 43 43 GLY N N 15 108.112 0.1 . 1 . . . . 565 GLY N . 25894 2 81 . 2 2 44 44 THR H H 1 7.654 0.02 . 1 . . . . 566 THR HN . 25894 2 82 . 2 2 44 44 THR N N 15 110.701 0.1 . 1 . . . . 566 THR N . 25894 2 83 . 2 2 45 45 ASN H H 1 8.731 0.02 . 1 . . . . 567 ASN HN . 25894 2 84 . 2 2 45 45 ASN N N 15 123.357 0.1 . 1 . . . . 567 ASN N . 25894 2 85 . 2 2 46 46 SER H H 1 8.764 0.02 . 1 . . . . 568 SER HN . 25894 2 86 . 2 2 46 46 SER N N 15 119.257 0.1 . 1 . . . . 568 SER N . 25894 2 87 . 2 2 47 47 TYR H H 1 8.898 0.02 . 1 . . . . 569 TYR HN . 25894 2 88 . 2 2 47 47 TYR N N 15 118.809 0.1 . 1 . . . . 569 TYR N . 25894 2 89 . 2 2 48 48 TYR H H 1 9.004 0.02 . 1 . . . . 570 TYR HN . 25894 2 90 . 2 2 48 48 TYR N N 15 124.389 0.1 . 1 . . . . 570 TYR N . 25894 2 91 . 2 2 49 49 LYS H H 1 9.689 0.02 . 1 . . . . 571 LYS HN . 25894 2 92 . 2 2 49 49 LYS N N 15 130.380 0.1 . 1 . . . . 571 LYS N . 25894 2 93 . 2 2 51 51 GLN H H 1 9.686 0.02 . 1 . . . . 573 GLN HN . 25894 2 94 . 2 2 51 51 GLN N N 15 119.123 0.1 . 1 . . . . 573 GLN N . 25894 2 95 . 2 2 53 53 LEU H H 1 9.306 0.02 . 1 . . . . 575 LEU HN . 25894 2 96 . 2 2 53 53 LEU N N 15 125.527 0.1 . 1 . . . . 575 LEU N . 25894 2 97 . 2 2 54 54 GLU H H 1 9.038 0.02 . 1 . . . . 576 GLU HN . 25894 2 98 . 2 2 54 54 GLU N N 15 123.281 0.1 . 1 . . . . 576 GLU N . 25894 2 99 . 2 2 55 55 ASP H H 1 8.187 0.02 . 1 . . . . 577 ASP HN . 25894 2 100 . 2 2 55 55 ASP N N 15 126.591 0.1 . 1 . . . . 577 ASP N . 25894 2 101 . 2 2 56 56 ASP H H 1 8.798 0.02 . 1 . . . . 578 ASP HN . 25894 2 102 . 2 2 56 56 ASP N N 15 122.579 0.1 . 1 . . . . 578 ASP N . 25894 2 103 . 2 2 57 57 LYS H H 1 8.970 0.02 . 1 . . . . 579 LYS HN . 25894 2 104 . 2 2 57 57 LYS N N 15 118.412 0.1 . 1 . . . . 579 LYS N . 25894 2 105 . 2 2 58 58 GLU H H 1 8.513 0.02 . 1 . . . . 580 GLU HN . 25894 2 106 . 2 2 58 58 GLU N N 15 117.528 0.1 . 1 . . . . 580 GLU N . 25894 2 107 . 2 2 60 60 ARG H H 1 7.193 0.02 . 1 . . . . 582 ARG HN . 25894 2 108 . 2 2 60 60 ARG N N 15 121.449 0.1 . 1 . . . . 582 ARG N . 25894 2 109 . 2 2 61 61 TYR H H 1 7.837 0.02 . 1 . . . . 583 TYR HN . 25894 2 110 . 2 2 61 61 TYR N N 15 118.214 0.1 . 1 . . . . 583 TYR N . 25894 2 111 . 2 2 62 62 TRP H H 1 9.368 0.02 . 1 . . . . 584 TRP HN . 25894 2 112 . 2 2 62 62 TRP N N 15 119.099 0.1 . 1 . . . . 584 TRP N . 25894 2 113 . 2 2 63 63 ILE H H 1 9.168 0.02 . 1 . . . . 585 ILE HN . 25894 2 114 . 2 2 63 63 ILE N N 15 119.674 0.1 . 1 . . . . 585 ILE N . 25894 2 115 . 2 2 64 64 PHE H H 1 9.631 0.02 . 1 . . . . 586 PHE HN . 25894 2 116 . 2 2 64 64 PHE N N 15 129.770 0.1 . 1 . . . . 586 PHE N . 25894 2 117 . 2 2 65 65 ARG H H 1 8.143 0.02 . 1 . . . . 587 ARG HN . 25894 2 118 . 2 2 65 65 ARG N N 15 124.437 0.1 . 1 . . . . 587 ARG N . 25894 2 119 . 2 2 66 66 SER H H 1 8.492 0.02 . 1 . . . . 588 SER HN . 25894 2 120 . 2 2 66 66 SER N N 15 114.225 0.1 . 1 . . . . 588 SER N . 25894 2 121 . 2 2 68 68 GLY H H 1 6.822 0.02 . 1 . . . . 590 GLY HN . 25894 2 122 . 2 2 68 68 GLY N N 15 103.566 0.1 . 1 . . . . 590 GLY N . 25894 2 123 . 2 2 69 69 ARG H H 1 8.106 0.02 . 1 . . . . 591 ARG HN . 25894 2 124 . 2 2 69 69 ARG N N 15 120.219 0.1 . 1 . . . . 591 ARG N . 25894 2 125 . 2 2 70 70 VAL H H 1 8.882 0.02 . 1 . . . . 592 VAL HN . 25894 2 126 . 2 2 70 70 VAL N N 15 126.712 0.1 . 1 . . . . 592 VAL N . 25894 2 127 . 2 2 71 71 GLY H H 1 9.000 0.02 . 1 . . . . 593 GLY HN . 25894 2 128 . 2 2 71 71 GLY N N 15 114.781 0.1 . 1 . . . . 593 GLY N . 25894 2 129 . 2 2 72 72 THR H H 1 7.837 0.02 . 1 . . . . 594 THR HN . 25894 2 130 . 2 2 72 72 THR N N 15 111.361 0.1 . 1 . . . . 594 THR N . 25894 2 131 . 2 2 74 74 ILE H H 1 8.131 0.02 . 1 . . . . 596 ILE HN . 25894 2 132 . 2 2 74 74 ILE N N 15 122.993 0.1 . 1 . . . . 596 ILE N . 25894 2 133 . 2 2 75 75 GLY H H 1 8.131 0.02 . 1 . . . . 597 GLY HN . 25894 2 134 . 2 2 75 75 GLY N N 15 115.995 0.1 . 1 . . . . 597 GLY N . 25894 2 135 . 2 2 76 76 SER H H 1 7.652 0.02 . 1 . . . . 598 SER HN . 25894 2 136 . 2 2 76 76 SER N N 15 114.937 0.1 . 1 . . . . 598 SER N . 25894 2 137 . 2 2 77 77 ASN H H 1 8.043 0.02 . 1 . . . . 599 ASN HN . 25894 2 138 . 2 2 77 77 ASN N N 15 115.401 0.1 . 1 . . . . 599 ASN N . 25894 2 139 . 2 2 78 78 LYS H H 1 8.854 0.02 . 1 . . . . 600 LYS HN . 25894 2 140 . 2 2 78 78 LYS N N 15 118.770 0.1 . 1 . . . . 600 LYS N . 25894 2 141 . 2 2 79 79 LEU H H 1 8.835 0.02 . 1 . . . . 601 LEU HN . 25894 2 142 . 2 2 79 79 LEU N N 15 128.868 0.1 . 1 . . . . 601 LEU N . 25894 2 143 . 2 2 80 80 GLU H H 1 9.265 0.02 . 1 . . . . 602 GLU HN . 25894 2 144 . 2 2 80 80 GLU N N 15 126.585 0.1 . 1 . . . . 602 GLU N . 25894 2 145 . 2 2 81 81 GLN H H 1 9.203 0.02 . 1 . . . . 603 GLN HN . 25894 2 146 . 2 2 81 81 GLN N N 15 126.941 0.1 . 1 . . . . 603 GLN N . 25894 2 147 . 2 2 82 82 MET H H 1 8.604 0.02 . 1 . . . . 604 MET HN . 25894 2 148 . 2 2 82 82 MET N N 15 124.811 0.1 . 1 . . . . 604 MET N . 25894 2 149 . 2 2 84 84 SER H H 1 6.943 0.02 . 1 . . . . 606 SER HN . 25894 2 150 . 2 2 84 84 SER N N 15 105.672 0.1 . 1 . . . . 606 SER N . 25894 2 151 . 2 2 85 85 LYS H H 1 8.752 0.02 . 1 . . . . 607 LYS HN . 25894 2 152 . 2 2 85 85 LYS N N 15 124.172 0.1 . 1 . . . . 607 LYS N . 25894 2 153 . 2 2 86 86 GLU H H 1 8.665 0.02 . 1 . . . . 608 GLU HN . 25894 2 154 . 2 2 86 86 GLU N N 15 117.277 0.1 . 1 . . . . 608 GLU N . 25894 2 155 . 2 2 87 87 ASP H H 1 7.942 0.02 . 1 . . . . 609 ASP HN . 25894 2 156 . 2 2 87 87 ASP N N 15 118.503 0.1 . 1 . . . . 609 ASP N . 25894 2 157 . 2 2 88 88 ALA H H 1 7.854 0.02 . 1 . . . . 610 ALA HN . 25894 2 158 . 2 2 88 88 ALA N N 15 121.772 0.1 . 1 . . . . 610 ALA N . 25894 2 159 . 2 2 89 89 ILE H H 1 8.392 0.02 . 1 . . . . 611 ILE HN . 25894 2 160 . 2 2 89 89 ILE N N 15 119.496 0.1 . 1 . . . . 611 ILE N . 25894 2 161 . 2 2 90 90 GLU H H 1 7.908 0.02 . 1 . . . . 612 GLU HN . 25894 2 162 . 2 2 90 90 GLU N N 15 118.617 0.1 . 1 . . . . 612 GLU N . 25894 2 163 . 2 2 91 91 HIS H H 1 8.322 0.02 . 1 . . . . 613 HIS HN . 25894 2 164 . 2 2 91 91 HIS N N 15 118.997 0.1 . 1 . . . . 613 HIS N . 25894 2 165 . 2 2 92 92 PHE H H 1 8.857 0.02 . 1 . . . . 614 PHE HN . 25894 2 166 . 2 2 92 92 PHE N N 15 119.091 0.1 . 1 . . . . 614 PHE N . 25894 2 167 . 2 2 93 93 MET H H 1 8.634 0.02 . 1 . . . . 615 MET HN . 25894 2 168 . 2 2 93 93 MET N N 15 115.727 0.1 . 1 . . . . 615 MET N . 25894 2 169 . 2 2 94 94 LYS H H 1 8.259 0.02 . 1 . . . . 616 LYS HN . 25894 2 170 . 2 2 94 94 LYS N N 15 121.565 0.1 . 1 . . . . 616 LYS N . 25894 2 171 . 2 2 95 95 LEU H H 1 8.158 0.02 . 1 . . . . 617 LEU HN . 25894 2 172 . 2 2 95 95 LEU N N 15 121.201 0.1 . 1 . . . . 617 LEU N . 25894 2 173 . 2 2 96 96 TYR H H 1 8.373 0.02 . 1 . . . . 618 TYR HN . 25894 2 174 . 2 2 96 96 TYR N N 15 118.637 0.1 . 1 . . . . 618 TYR N . 25894 2 175 . 2 2 97 97 GLU H H 1 8.337 0.02 . 1 . . . . 619 GLU HN . 25894 2 176 . 2 2 97 97 GLU N N 15 122.436 0.1 . 1 . . . . 619 GLU N . 25894 2 177 . 2 2 98 98 GLU H H 1 8.303 0.02 . 1 . . . . 620 GLU HN . 25894 2 178 . 2 2 98 98 GLU N N 15 121.792 0.1 . 1 . . . . 620 GLU N . 25894 2 179 . 2 2 99 99 LYS H H 1 7.761 0.02 . 1 . . . . 621 LYS HN . 25894 2 180 . 2 2 99 99 LYS N N 15 113.365 0.1 . 1 . . . . 621 LYS N . 25894 2 181 . 2 2 100 100 THR H H 1 8.011 0.02 . 1 . . . . 622 THR HN . 25894 2 182 . 2 2 100 100 THR N N 15 105.186 0.1 . 1 . . . . 622 THR N . 25894 2 183 . 2 2 101 101 GLY H H 1 8.725 0.02 . 1 . . . . 623 GLY HN . 25894 2 184 . 2 2 101 101 GLY N N 15 112.750 0.1 . 1 . . . . 623 GLY N . 25894 2 185 . 2 2 102 102 ASN H H 1 8.632 0.02 . 1 . . . . 624 ASN HN . 25894 2 186 . 2 2 102 102 ASN N N 15 118.384 0.1 . 1 . . . . 624 ASN N . 25894 2 187 . 2 2 103 103 ALA H H 1 8.522 0.02 . 1 . . . . 625 ALA HN . 25894 2 188 . 2 2 103 103 ALA N N 15 120.425 0.1 . 1 . . . . 625 ALA N . 25894 2 189 . 2 2 104 104 TRP H H 1 9.799 0.02 . 1 . . . . 626 TRP HN . 25894 2 190 . 2 2 104 104 TRP N N 15 125.923 0.1 . 1 . . . . 626 TRP N . 25894 2 191 . 2 2 105 105 HIS H H 1 7.924 0.02 . 1 . . . . 627 HIS HN . 25894 2 192 . 2 2 105 105 HIS N N 15 112.217 0.1 . 1 . . . . 627 HIS N . 25894 2 193 . 2 2 106 106 SER H H 1 7.348 0.02 . 1 . . . . 628 SER HN . 25894 2 194 . 2 2 106 106 SER N N 15 114.889 0.1 . 1 . . . . 628 SER N . 25894 2 195 . 2 2 108 108 ASN H H 1 8.053 0.02 . 1 . . . . 630 ASN HN . 25894 2 196 . 2 2 108 108 ASN N N 15 116.469 0.1 . 1 . . . . 630 ASN N . 25894 2 197 . 2 2 109 109 PHE H H 1 8.684 0.02 . 1 . . . . 631 PHE HN . 25894 2 198 . 2 2 109 109 PHE N N 15 124.775 0.1 . 1 . . . . 631 PHE N . 25894 2 199 . 2 2 110 110 THR H H 1 8.661 0.02 . 1 . . . . 632 THR HN . 25894 2 200 . 2 2 110 110 THR N N 15 127.520 0.1 . 1 . . . . 632 THR N . 25894 2 201 . 2 2 111 111 LYS H H 1 8.394 0.02 . 1 . . . . 633 LYS HN . 25894 2 202 . 2 2 111 111 LYS N N 15 126.083 0.1 . 1 . . . . 633 LYS N . 25894 2 203 . 2 2 112 112 TYR H H 1 8.932 0.02 . 1 . . . . 634 TYR HN . 25894 2 204 . 2 2 112 112 TYR N N 15 126.492 0.1 . 1 . . . . 634 TYR N . 25894 2 205 . 2 2 114 114 LYS H H 1 8.809 0.02 . 1 . . . . 636 LYS HN . 25894 2 206 . 2 2 114 114 LYS N N 15 114.814 0.1 . 1 . . . . 636 LYS N . 25894 2 207 . 2 2 115 115 LYS H H 1 7.464 0.02 . 1 . . . . 637 LYS HN . 25894 2 208 . 2 2 115 115 LYS N N 15 116.930 0.1 . 1 . . . . 637 LYS N . 25894 2 209 . 2 2 116 116 PHE H H 1 8.281 0.02 . 1 . . . . 638 PHE HN . 25894 2 210 . 2 2 116 116 PHE N N 15 117.865 0.1 . 1 . . . . 638 PHE N . 25894 2 211 . 2 2 117 117 TYR H H 1 8.701 0.02 . 1 . . . . 639 TYR HN . 25894 2 212 . 2 2 117 117 TYR N N 15 114.453 0.1 . 1 . . . . 639 TYR N . 25894 2 213 . 2 2 119 119 LEU H H 1 8.416 0.02 . 1 . . . . 641 LEU HN . 25894 2 214 . 2 2 119 119 LEU N N 15 124.231 0.1 . 1 . . . . 641 LEU N . 25894 2 215 . 2 2 120 120 GLU H H 1 8.632 0.02 . 1 . . . . 642 GLU HN . 25894 2 216 . 2 2 120 120 GLU N N 15 120.544 0.1 . 1 . . . . 642 GLU N . 25894 2 217 . 2 2 121 121 ILE H H 1 7.934 0.02 . 1 . . . . 643 ILE HN . 25894 2 218 . 2 2 121 121 ILE N N 15 120.982 0.1 . 1 . . . . 643 ILE N . 25894 2 219 . 2 2 122 122 ASP H H 1 8.154 0.02 . 1 . . . . 644 ASP HN . 25894 2 220 . 2 2 122 122 ASP N N 15 123.112 0.1 . 1 . . . . 644 ASP N . 25894 2 221 . 2 2 123 123 TYR H H 1 8.119 0.02 . 1 . . . . 645 TYR HN . 25894 2 222 . 2 2 123 123 TYR N N 15 121.636 0.1 . 1 . . . . 645 TYR N . 25894 2 223 . 2 2 124 124 GLY H H 1 8.423 0.02 . 1 . . . . 646 GLY HN . 25894 2 224 . 2 2 124 124 GLY N N 15 110.057 0.1 . 1 . . . . 646 GLY N . 25894 2 225 . 2 2 125 125 GLN H H 1 8.175 0.02 . 1 . . . . 647 GLN HN . 25894 2 226 . 2 2 125 125 GLN N N 15 119.481 0.1 . 1 . . . . 647 GLN N . 25894 2 227 . 2 2 126 126 ASP H H 1 8.426 0.02 . 1 . . . . 648 ASP HN . 25894 2 228 . 2 2 126 126 ASP N N 15 121.754 0.1 . 1 . . . . 648 ASP N . 25894 2 229 . 2 2 127 127 GLU H H 1 7.871 0.02 . 1 . . . . 649 GLU HN . 25894 2 230 . 2 2 127 127 GLU N N 15 125.546 0.1 . 1 . . . . 649 GLU N . 25894 2 stop_ save_