data_25889 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 25889 _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' . . 25889 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' 25889 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' . 25889 1 1 25889 'F1F2 free' . 25889 1 1 25890 'DNA free' . 25889 1 1 25891 'F1F2F3-DNA complex' . 25889 1 1 25892 'F1F2F3 free' . 25889 1 1 25893 'F3 free' . 25889 1 1 25894 'F1F2F3-WGR-DNA complex' . 25889 1 1 25895 'WGR free' . 25889 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25889 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for PARP-1 F1F2 domains (at 200mM NaCl) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-08 _Entry.Accession_date 2015-10-08 _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 _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 . . . . 25889 2 Sebastian Eustermann . . . . 25889 3 Ji-Chun Yang . . . . 25889 4 Wing-Fung Wu . . . . 25889 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' . 25889 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN/DNA . 25889 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25889 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 191 25889 '1H chemical shifts' 191 25889 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.' 25889 2 . . 2016-07-22 2015-11-11 update BMRB 'update entry citation' 25889 1 . . 2015-11-25 2015-11-11 original author 'original release' 25889 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25888 'F1F2-DNA complex' 25889 BMRB 25890 'DNA free' 25889 BMRB 25891 'F1F2F3-DNA complex' 25889 BMRB 25892 'F1F2F3 free' 25889 BMRB 25893 'F3 free' 25889 BMRB 25894 'F1F2F3-WGR-DNA complex' 25889 BMRB 25895 'WGR free' 25889 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25889 _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 . . . . 25889 1 2 Wing-Fung Wu . . . . 25889 1 3 Marie-France Langelier . . . . 25889 1 4 Ji-Chun Yang . . . . 25889 1 5 Laura Easton . E. . . 25889 1 6 Amanda Riccio . . . . 25889 1 7 John Pascal . M. . . 25889 1 8 David Neuhaus . . . . 25889 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25889 _Assembly.ID 1 _Assembly.Name 'F1F2 free' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 F1F2 1 $F1F2 A . yes native no no . . . 25889 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F1F2 _Entity.Sf_category entity _Entity.Sf_framecode F1F2 _Entity.Entry_ID 25889 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F1F2 _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 GVKSEGKRKGDEVD ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _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 . MET . 25889 1 2 . ALA . 25889 1 3 . GLU . 25889 1 4 . SER . 25889 1 5 . SER . 25889 1 6 . ASP . 25889 1 7 . LYS . 25889 1 8 . LEU . 25889 1 9 . TYR . 25889 1 10 . ARG . 25889 1 11 . VAL . 25889 1 12 . GLU . 25889 1 13 . TYR . 25889 1 14 . ALA . 25889 1 15 . LYS . 25889 1 16 . SER . 25889 1 17 . GLY . 25889 1 18 . ARG . 25889 1 19 . ALA . 25889 1 20 . SER . 25889 1 21 . CYS . 25889 1 22 . LYS . 25889 1 23 . LYS . 25889 1 24 . CYS . 25889 1 25 . SER . 25889 1 26 . GLU . 25889 1 27 . SER . 25889 1 28 . ILE . 25889 1 29 . PRO . 25889 1 30 . LYS . 25889 1 31 . ASP . 25889 1 32 . SER . 25889 1 33 . LEU . 25889 1 34 . ARG . 25889 1 35 . MET . 25889 1 36 . ALA . 25889 1 37 . ILE . 25889 1 38 . MET . 25889 1 39 . VAL . 25889 1 40 . GLN . 25889 1 41 . SER . 25889 1 42 . PRO . 25889 1 43 . MET . 25889 1 44 . PHE . 25889 1 45 . ASP . 25889 1 46 . GLY . 25889 1 47 . LYS . 25889 1 48 . VAL . 25889 1 49 . PRO . 25889 1 50 . HIS . 25889 1 51 . TRP . 25889 1 52 . TYR . 25889 1 53 . HIS . 25889 1 54 . PHE . 25889 1 55 . SER . 25889 1 56 . CYS . 25889 1 57 . PHE . 25889 1 58 . TRP . 25889 1 59 . LYS . 25889 1 60 . VAL . 25889 1 61 . GLY . 25889 1 62 . HIS . 25889 1 63 . SER . 25889 1 64 . ILE . 25889 1 65 . ARG . 25889 1 66 . HIS . 25889 1 67 . PRO . 25889 1 68 . ASP . 25889 1 69 . VAL . 25889 1 70 . GLU . 25889 1 71 . VAL . 25889 1 72 . ASP . 25889 1 73 . GLY . 25889 1 74 . PHE . 25889 1 75 . SER . 25889 1 76 . GLU . 25889 1 77 . LEU . 25889 1 78 . ARG . 25889 1 79 . TRP . 25889 1 80 . ASP . 25889 1 81 . ASP . 25889 1 82 . GLN . 25889 1 83 . GLN . 25889 1 84 . LYS . 25889 1 85 . VAL . 25889 1 86 . LYS . 25889 1 87 . LYS . 25889 1 88 . THR . 25889 1 89 . ALA . 25889 1 90 . GLU . 25889 1 91 . ALA . 25889 1 92 . GLY . 25889 1 93 . GLY . 25889 1 94 . VAL . 25889 1 95 . THR . 25889 1 96 . GLY . 25889 1 97 . LYS . 25889 1 98 . GLY . 25889 1 99 . GLN . 25889 1 100 . ASP . 25889 1 101 . GLY . 25889 1 102 . ILE . 25889 1 103 . GLY . 25889 1 104 . SER . 25889 1 105 . LYS . 25889 1 106 . ALA . 25889 1 107 . GLU . 25889 1 108 . LYS . 25889 1 109 . THR . 25889 1 110 . LEU . 25889 1 111 . GLY . 25889 1 112 . ASP . 25889 1 113 . PHE . 25889 1 114 . ALA . 25889 1 115 . ALA . 25889 1 116 . GLU . 25889 1 117 . TYR . 25889 1 118 . ALA . 25889 1 119 . LYS . 25889 1 120 . SER . 25889 1 121 . ASN . 25889 1 122 . ARG . 25889 1 123 . SER . 25889 1 124 . THR . 25889 1 125 . CYS . 25889 1 126 . LYS . 25889 1 127 . GLY . 25889 1 128 . CYS . 25889 1 129 . MET . 25889 1 130 . GLU . 25889 1 131 . LYS . 25889 1 132 . ILE . 25889 1 133 . GLU . 25889 1 134 . LYS . 25889 1 135 . GLY . 25889 1 136 . GLN . 25889 1 137 . VAL . 25889 1 138 . ARG . 25889 1 139 . LEU . 25889 1 140 . SER . 25889 1 141 . LYS . 25889 1 142 . LYS . 25889 1 143 . MET . 25889 1 144 . VAL . 25889 1 145 . ASP . 25889 1 146 . PRO . 25889 1 147 . GLU . 25889 1 148 . LYS . 25889 1 149 . PRO . 25889 1 150 . GLN . 25889 1 151 . LEU . 25889 1 152 . GLY . 25889 1 153 . MET . 25889 1 154 . ILE . 25889 1 155 . ASP . 25889 1 156 . ARG . 25889 1 157 . TRP . 25889 1 158 . TYR . 25889 1 159 . HIS . 25889 1 160 . PRO . 25889 1 161 . GLY . 25889 1 162 . CYS . 25889 1 163 . PHE . 25889 1 164 . VAL . 25889 1 165 . LYS . 25889 1 166 . ASN . 25889 1 167 . ARG . 25889 1 168 . GLU . 25889 1 169 . GLU . 25889 1 170 . LEU . 25889 1 171 . GLY . 25889 1 172 . PHE . 25889 1 173 . ARG . 25889 1 174 . PRO . 25889 1 175 . GLU . 25889 1 176 . TYR . 25889 1 177 . SER . 25889 1 178 . ALA . 25889 1 179 . SER . 25889 1 180 . GLN . 25889 1 181 . LEU . 25889 1 182 . LYS . 25889 1 183 . GLY . 25889 1 184 . PHE . 25889 1 185 . SER . 25889 1 186 . LEU . 25889 1 187 . LEU . 25889 1 188 . ALA . 25889 1 189 . THR . 25889 1 190 . GLU . 25889 1 191 . ASP . 25889 1 192 . LYS . 25889 1 193 . GLU . 25889 1 194 . ALA . 25889 1 195 . LEU . 25889 1 196 . LYS . 25889 1 197 . LYS . 25889 1 198 . GLN . 25889 1 199 . LEU . 25889 1 200 . PRO . 25889 1 201 . GLY . 25889 1 202 . VAL . 25889 1 203 . LYS . 25889 1 204 . SER . 25889 1 205 . GLU . 25889 1 206 . GLY . 25889 1 207 . LYS . 25889 1 208 . ARG . 25889 1 209 . LYS . 25889 1 210 . GLY . 25889 1 211 . ASP . 25889 1 212 . GLU . 25889 1 213 . VAL . 25889 1 214 . ASP . 25889 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 25889 1 . ALA 2 2 25889 1 . GLU 3 3 25889 1 . SER 4 4 25889 1 . SER 5 5 25889 1 . ASP 6 6 25889 1 . LYS 7 7 25889 1 . LEU 8 8 25889 1 . TYR 9 9 25889 1 . ARG 10 10 25889 1 . VAL 11 11 25889 1 . GLU 12 12 25889 1 . TYR 13 13 25889 1 . ALA 14 14 25889 1 . LYS 15 15 25889 1 . SER 16 16 25889 1 . GLY 17 17 25889 1 . ARG 18 18 25889 1 . ALA 19 19 25889 1 . SER 20 20 25889 1 . CYS 21 21 25889 1 . LYS 22 22 25889 1 . LYS 23 23 25889 1 . CYS 24 24 25889 1 . SER 25 25 25889 1 . GLU 26 26 25889 1 . SER 27 27 25889 1 . ILE 28 28 25889 1 . PRO 29 29 25889 1 . LYS 30 30 25889 1 . ASP 31 31 25889 1 . SER 32 32 25889 1 . LEU 33 33 25889 1 . ARG 34 34 25889 1 . MET 35 35 25889 1 . ALA 36 36 25889 1 . ILE 37 37 25889 1 . MET 38 38 25889 1 . VAL 39 39 25889 1 . GLN 40 40 25889 1 . SER 41 41 25889 1 . PRO 42 42 25889 1 . MET 43 43 25889 1 . PHE 44 44 25889 1 . ASP 45 45 25889 1 . GLY 46 46 25889 1 . LYS 47 47 25889 1 . VAL 48 48 25889 1 . PRO 49 49 25889 1 . HIS 50 50 25889 1 . TRP 51 51 25889 1 . TYR 52 52 25889 1 . HIS 53 53 25889 1 . PHE 54 54 25889 1 . SER 55 55 25889 1 . CYS 56 56 25889 1 . PHE 57 57 25889 1 . TRP 58 58 25889 1 . LYS 59 59 25889 1 . VAL 60 60 25889 1 . GLY 61 61 25889 1 . HIS 62 62 25889 1 . SER 63 63 25889 1 . ILE 64 64 25889 1 . ARG 65 65 25889 1 . HIS 66 66 25889 1 . PRO 67 67 25889 1 . ASP 68 68 25889 1 . VAL 69 69 25889 1 . GLU 70 70 25889 1 . VAL 71 71 25889 1 . ASP 72 72 25889 1 . GLY 73 73 25889 1 . PHE 74 74 25889 1 . SER 75 75 25889 1 . GLU 76 76 25889 1 . LEU 77 77 25889 1 . ARG 78 78 25889 1 . TRP 79 79 25889 1 . ASP 80 80 25889 1 . ASP 81 81 25889 1 . GLN 82 82 25889 1 . GLN 83 83 25889 1 . LYS 84 84 25889 1 . VAL 85 85 25889 1 . LYS 86 86 25889 1 . LYS 87 87 25889 1 . THR 88 88 25889 1 . ALA 89 89 25889 1 . GLU 90 90 25889 1 . ALA 91 91 25889 1 . GLY 92 92 25889 1 . GLY 93 93 25889 1 . VAL 94 94 25889 1 . THR 95 95 25889 1 . GLY 96 96 25889 1 . LYS 97 97 25889 1 . GLY 98 98 25889 1 . GLN 99 99 25889 1 . ASP 100 100 25889 1 . GLY 101 101 25889 1 . ILE 102 102 25889 1 . GLY 103 103 25889 1 . SER 104 104 25889 1 . LYS 105 105 25889 1 . ALA 106 106 25889 1 . GLU 107 107 25889 1 . LYS 108 108 25889 1 . THR 109 109 25889 1 . LEU 110 110 25889 1 . GLY 111 111 25889 1 . ASP 112 112 25889 1 . PHE 113 113 25889 1 . ALA 114 114 25889 1 . ALA 115 115 25889 1 . GLU 116 116 25889 1 . TYR 117 117 25889 1 . ALA 118 118 25889 1 . LYS 119 119 25889 1 . SER 120 120 25889 1 . ASN 121 121 25889 1 . ARG 122 122 25889 1 . SER 123 123 25889 1 . THR 124 124 25889 1 . CYS 125 125 25889 1 . LYS 126 126 25889 1 . GLY 127 127 25889 1 . CYS 128 128 25889 1 . MET 129 129 25889 1 . GLU 130 130 25889 1 . LYS 131 131 25889 1 . ILE 132 132 25889 1 . GLU 133 133 25889 1 . LYS 134 134 25889 1 . GLY 135 135 25889 1 . GLN 136 136 25889 1 . VAL 137 137 25889 1 . ARG 138 138 25889 1 . LEU 139 139 25889 1 . SER 140 140 25889 1 . LYS 141 141 25889 1 . LYS 142 142 25889 1 . MET 143 143 25889 1 . VAL 144 144 25889 1 . ASP 145 145 25889 1 . PRO 146 146 25889 1 . GLU 147 147 25889 1 . LYS 148 148 25889 1 . PRO 149 149 25889 1 . GLN 150 150 25889 1 . LEU 151 151 25889 1 . GLY 152 152 25889 1 . MET 153 153 25889 1 . ILE 154 154 25889 1 . ASP 155 155 25889 1 . ARG 156 156 25889 1 . TRP 157 157 25889 1 . TYR 158 158 25889 1 . HIS 159 159 25889 1 . PRO 160 160 25889 1 . GLY 161 161 25889 1 . CYS 162 162 25889 1 . PHE 163 163 25889 1 . VAL 164 164 25889 1 . LYS 165 165 25889 1 . ASN 166 166 25889 1 . ARG 167 167 25889 1 . GLU 168 168 25889 1 . GLU 169 169 25889 1 . LEU 170 170 25889 1 . GLY 171 171 25889 1 . PHE 172 172 25889 1 . ARG 173 173 25889 1 . PRO 174 174 25889 1 . GLU 175 175 25889 1 . TYR 176 176 25889 1 . SER 177 177 25889 1 . ALA 178 178 25889 1 . SER 179 179 25889 1 . GLN 180 180 25889 1 . LEU 181 181 25889 1 . LYS 182 182 25889 1 . GLY 183 183 25889 1 . PHE 184 184 25889 1 . SER 185 185 25889 1 . LEU 186 186 25889 1 . LEU 187 187 25889 1 . ALA 188 188 25889 1 . THR 189 189 25889 1 . GLU 190 190 25889 1 . ASP 191 191 25889 1 . LYS 192 192 25889 1 . GLU 193 193 25889 1 . ALA 194 194 25889 1 . LEU 195 195 25889 1 . LYS 196 196 25889 1 . LYS 197 197 25889 1 . GLN 198 198 25889 1 . LEU 199 199 25889 1 . PRO 200 200 25889 1 . GLY 201 201 25889 1 . VAL 202 202 25889 1 . LYS 203 203 25889 1 . SER 204 204 25889 1 . GLU 205 205 25889 1 . GLY 206 206 25889 1 . LYS 207 207 25889 1 . ARG 208 208 25889 1 . LYS 209 209 25889 1 . GLY 210 210 25889 1 . ASP 211 211 25889 1 . GLU 212 212 25889 1 . VAL 213 213 25889 1 . ASP 214 214 25889 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25889 _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 $F1F2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25889 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 25889 _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 $F1F2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . Pet13 . . . 25889 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_free_F1F2_high_salt _Sample.Sf_category sample _Sample.Sf_framecode free_F1F2_high_salt _Sample.Entry_ID 25889 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '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 1-214' '[U-15N; U-13C; U-2H]' . . 1 $F1F2 . . 0.2 . . mM . . . . 25889 1 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 25889 1 3 DTT [U-2H] . . . . . . 1 . . mM . . . . 25889 1 4 ZnSO4 'natural abundance' . . . . . . 0.1 . . uM . . . . 25889 1 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25889 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25889 1 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25889 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25889 _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' 0.05 . M 25889 1 pH 7.2 . pH 25889 1 pressure 1 . atm 25889 1 temperature 273 . K 25889 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25889 _Sample_condition_list.ID 2 _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' 0.05 . M 25889 2 pH 7.2 . pH 25889 2 pressure 1 . atm 25889 2 temperature 273 . K 25889 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 25889 _Sample_condition_list.ID 3 _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 25889 3 pH 7.2 . pH 25889 3 pressure 1 . atm 25889 3 temperature 273 . K 25889 3 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25889 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.28 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25889 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25889 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25889 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25889 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25889 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25889 _Software.ID 3 _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' . . 25889 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25889 3 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25889 _Software.ID 4 _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 . . 25889 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25889 4 'data analysis' 25889 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25889 _Software.ID 5 _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' . . 25889 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25889 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av800 _NMR_spectrometer.Entry_ID 25889 _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 25889 _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 25889 _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 25889 _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 25889 _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 . . . 25889 1 2 av700 Bruker 'Avance II+' . 700 . . . 25889 1 3 dmx600 Bruker DMX . 600 . . . 25889 1 4 drx500 Bruker DRX . 500 . . . 25889 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 25889 _Experiment_list.ID 1 _Experiment_list.Details ; Sample numbers used here may not correspond to those used in the supplementary material for the primary citation. ; 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 $free_F1F2_high_salt isotropic . . 3 $sample_conditions_3 . . . 1 $av800 . . . . . . . . . . . . . . . . 25889 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 25889 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 25889 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 25889 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 25889 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_free_F1F2_high_salt _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_free_F1F2_high_salt _Assigned_chem_shift_list.Entry_ID 25889 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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' . . . 25889 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 7 7 LYS H H 1 8.178 0.02 . 1 . . . . 7 LYS HN . 25889 1 2 . 1 1 7 7 LYS N N 15 120.643 0.1 . 1 . . . . 7 LYS N . 25889 1 3 . 1 1 8 8 LEU H H 1 8.892 0.02 . 1 . . . . 8 LEU HN . 25889 1 4 . 1 1 8 8 LEU N N 15 122.930 0.1 . 1 . . . . 8 LEU N . 25889 1 5 . 1 1 9 9 TYR H H 1 6.817 0.02 . 1 . . . . 9 TYR HN . 25889 1 6 . 1 1 9 9 TYR N N 15 110.537 0.1 . 1 . . . . 9 TYR N . 25889 1 7 . 1 1 10 10 ARG H H 1 8.428 0.02 . 1 . . . . 10 ARG HN . 25889 1 8 . 1 1 10 10 ARG N N 15 120.477 0.1 . 1 . . . . 10 ARG N . 25889 1 9 . 1 1 11 11 VAL H H 1 8.864 0.02 . 1 . . . . 11 VAL HN . 25889 1 10 . 1 1 11 11 VAL N N 15 122.264 0.1 . 1 . . . . 11 VAL N . 25889 1 11 . 1 1 12 12 GLU H H 1 8.448 0.02 . 1 . . . . 12 GLU HN . 25889 1 12 . 1 1 12 12 GLU N N 15 119.209 0.1 . 1 . . . . 12 GLU N . 25889 1 13 . 1 1 13 13 TYR H H 1 7.938 0.02 . 1 . . . . 13 TYR HN . 25889 1 14 . 1 1 13 13 TYR N N 15 119.068 0.1 . 1 . . . . 13 TYR N . 25889 1 15 . 1 1 14 14 ALA H H 1 9.354 0.02 . 1 . . . . 14 ALA HN . 25889 1 16 . 1 1 14 14 ALA N N 15 126.678 0.1 . 1 . . . . 14 ALA N . 25889 1 17 . 1 1 16 16 SER H H 1 7.488 0.02 . 1 . . . . 16 SER HN . 25889 1 18 . 1 1 16 16 SER N N 15 109.860 0.1 . 1 . . . . 16 SER N . 25889 1 19 . 1 1 18 18 ARG H H 1 7.462 0.02 . 1 . . . . 18 ARG HN . 25889 1 20 . 1 1 18 18 ARG N N 15 115.670 0.1 . 1 . . . . 18 ARG N . 25889 1 21 . 1 1 19 19 ALA H H 1 8.458 0.02 . 1 . . . . 19 ALA HN . 25889 1 22 . 1 1 19 19 ALA N N 15 123.475 0.1 . 1 . . . . 19 ALA N . 25889 1 23 . 1 1 20 20 SER H H 1 8.260 0.02 . 1 . . . . 20 SER HN . 25889 1 24 . 1 1 20 20 SER N N 15 115.211 0.1 . 1 . . . . 20 SER N . 25889 1 25 . 1 1 21 21 CYS H H 1 8.205 0.02 . 1 . . . . 21 CYS HN . 25889 1 26 . 1 1 21 21 CYS N N 15 125.329 0.1 . 1 . . . . 21 CYS N . 25889 1 27 . 1 1 22 22 LYS H H 1 8.482 0.02 . 1 . . . . 22 LYS HN . 25889 1 28 . 1 1 22 22 LYS N N 15 129.192 0.1 . 1 . . . . 22 LYS N . 25889 1 29 . 1 1 23 23 LYS H H 1 8.800 0.02 . 1 . . . . 23 LYS HN . 25889 1 30 . 1 1 23 23 LYS N N 15 120.628 0.1 . 1 . . . . 23 LYS N . 25889 1 31 . 1 1 24 24 CYS H H 1 8.097 0.02 . 1 . . . . 24 CYS HN . 25889 1 32 . 1 1 24 24 CYS N N 15 116.534 0.1 . 1 . . . . 24 CYS N . 25889 1 33 . 1 1 25 25 SER H H 1 8.058 0.02 . 1 . . . . 25 SER HN . 25889 1 34 . 1 1 25 25 SER N N 15 115.492 0.1 . 1 . . . . 25 SER N . 25889 1 35 . 1 1 26 26 GLU H H 1 8.334 0.02 . 1 . . . . 26 GLU HN . 25889 1 36 . 1 1 26 26 GLU N N 15 120.892 0.1 . 1 . . . . 26 GLU N . 25889 1 37 . 1 1 27 27 SER H H 1 8.851 0.02 . 1 . . . . 27 SER HN . 25889 1 38 . 1 1 27 27 SER N N 15 116.512 0.1 . 1 . . . . 27 SER N . 25889 1 39 . 1 1 28 28 ILE H H 1 8.343 0.02 . 1 . . . . 28 ILE HN . 25889 1 40 . 1 1 28 28 ILE N N 15 127.121 0.1 . 1 . . . . 28 ILE N . 25889 1 41 . 1 1 30 30 LYS H H 1 8.665 0.02 . 1 . . . . 30 LYS HN . 25889 1 42 . 1 1 30 30 LYS N N 15 123.944 0.1 . 1 . . . . 30 LYS N . 25889 1 43 . 1 1 31 31 ASP H H 1 9.380 0.02 . 1 . . . . 31 ASP HN . 25889 1 44 . 1 1 31 31 ASP N N 15 120.048 0.1 . 1 . . . . 31 ASP N . 25889 1 45 . 1 1 32 32 SER H H 1 7.861 0.02 . 1 . . . . 32 SER HN . 25889 1 46 . 1 1 32 32 SER N N 15 115.696 0.1 . 1 . . . . 32 SER N . 25889 1 47 . 1 1 33 33 LEU H H 1 8.833 0.02 . 1 . . . . 33 LEU HN . 25889 1 48 . 1 1 33 33 LEU N N 15 123.158 0.1 . 1 . . . . 33 LEU N . 25889 1 49 . 1 1 34 34 ARG H H 1 9.329 0.02 . 1 . . . . 34 ARG HN . 25889 1 50 . 1 1 34 34 ARG N N 15 124.264 0.1 . 1 . . . . 34 ARG N . 25889 1 51 . 1 1 35 35 MET H H 1 8.635 0.02 . 1 . . . . 35 MET HN . 25889 1 52 . 1 1 35 35 MET N N 15 119.140 0.1 . 1 . . . . 35 MET N . 25889 1 53 . 1 1 36 36 ALA H H 1 9.371 0.02 . 1 . . . . 36 ALA HN . 25889 1 54 . 1 1 36 36 ALA N N 15 124.063 0.1 . 1 . . . . 36 ALA N . 25889 1 55 . 1 1 37 37 ILE H H 1 7.959 0.02 . 1 . . . . 37 ILE HN . 25889 1 56 . 1 1 37 37 ILE N N 15 116.692 0.1 . 1 . . . . 37 ILE N . 25889 1 57 . 1 1 38 38 MET H H 1 8.183 0.02 . 1 . . . . 38 MET HN . 25889 1 58 . 1 1 38 38 MET N N 15 124.774 0.1 . 1 . . . . 38 MET N . 25889 1 59 . 1 1 39 39 VAL H H 1 8.682 0.02 . 1 . . . . 39 VAL HN . 25889 1 60 . 1 1 39 39 VAL N N 15 122.768 0.1 . 1 . . . . 39 VAL N . 25889 1 61 . 1 1 40 40 GLN H H 1 8.510 0.02 . 1 . . . . 40 GLN HN . 25889 1 62 . 1 1 40 40 GLN N N 15 123.732 0.1 . 1 . . . . 40 GLN N . 25889 1 63 . 1 1 41 41 SER H H 1 8.769 0.02 . 1 . . . . 41 SER HN . 25889 1 64 . 1 1 41 41 SER N N 15 121.472 0.1 . 1 . . . . 41 SER N . 25889 1 65 . 1 1 43 43 MET H H 1 8.068 0.02 . 1 . . . . 43 MET HN . 25889 1 66 . 1 1 43 43 MET N N 15 114.992 0.1 . 1 . . . . 43 MET N . 25889 1 67 . 1 1 44 44 PHE H H 1 7.551 0.02 . 1 . . . . 44 PHE HN . 25889 1 68 . 1 1 44 44 PHE N N 15 116.445 0.1 . 1 . . . . 44 PHE N . 25889 1 69 . 1 1 45 45 ASP H H 1 8.388 0.02 . 1 . . . . 45 ASP HN . 25889 1 70 . 1 1 45 45 ASP N N 15 119.410 0.1 . 1 . . . . 45 ASP N . 25889 1 71 . 1 1 46 46 GLY H H 1 7.844 0.02 . 1 . . . . 46 GLY HN . 25889 1 72 . 1 1 46 46 GLY N N 15 109.771 0.1 . 1 . . . . 46 GLY N . 25889 1 73 . 1 1 47 47 LYS H H 1 8.295 0.02 . 1 . . . . 47 LYS HN . 25889 1 74 . 1 1 47 47 LYS N N 15 118.491 0.1 . 1 . . . . 47 LYS N . 25889 1 75 . 1 1 48 48 VAL H H 1 8.999 0.02 . 1 . . . . 48 VAL HN . 25889 1 76 . 1 1 48 48 VAL N N 15 118.092 0.1 . 1 . . . . 48 VAL N . 25889 1 77 . 1 1 50 50 HIS H H 1 8.778 0.02 . 1 . . . . 50 HIS HN . 25889 1 78 . 1 1 50 50 HIS N N 15 124.773 0.1 . 1 . . . . 50 HIS N . 25889 1 79 . 1 1 51 51 TRP H H 1 8.121 0.02 . 1 . . . . 51 TRP HN . 25889 1 80 . 1 1 51 51 TRP N N 15 120.740 0.1 . 1 . . . . 51 TRP N . 25889 1 81 . 1 1 52 52 TYR H H 1 9.531 0.02 . 1 . . . . 52 TYR HN . 25889 1 82 . 1 1 52 52 TYR N N 15 115.800 0.1 . 1 . . . . 52 TYR N . 25889 1 83 . 1 1 53 53 HIS H H 1 8.838 0.02 . 1 . . . . 53 HIS HN . 25889 1 84 . 1 1 53 53 HIS N N 15 118.630 0.1 . 1 . . . . 53 HIS N . 25889 1 85 . 1 1 54 54 PHE H H 1 8.567 0.02 . 1 . . . . 54 PHE HN . 25889 1 86 . 1 1 54 54 PHE N N 15 123.064 0.1 . 1 . . . . 54 PHE N . 25889 1 87 . 1 1 55 55 SER H H 1 9.212 0.02 . 1 . . . . 55 SER HN . 25889 1 88 . 1 1 55 55 SER N N 15 109.436 0.1 . 1 . . . . 55 SER N . 25889 1 89 . 1 1 56 56 CYS H H 1 7.025 0.02 . 1 . . . . 56 CYS HN . 25889 1 90 . 1 1 56 56 CYS N N 15 119.668 0.1 . 1 . . . . 56 CYS N . 25889 1 91 . 1 1 57 57 PHE H H 1 8.067 0.02 . 1 . . . . 57 PHE HN . 25889 1 92 . 1 1 57 57 PHE N N 15 117.851 0.1 . 1 . . . . 57 PHE N . 25889 1 93 . 1 1 58 58 TRP H H 1 6.579 0.02 . 1 . . . . 58 TRP HN . 25889 1 94 . 1 1 58 58 TRP N N 15 114.972 0.1 . 1 . . . . 58 TRP N . 25889 1 95 . 1 1 59 59 LYS H H 1 7.577 0.02 . 1 . . . . 59 LYS HN . 25889 1 96 . 1 1 59 59 LYS N N 15 117.471 0.1 . 1 . . . . 59 LYS N . 25889 1 97 . 1 1 60 60 VAL H H 1 7.093 0.02 . 1 . . . . 60 VAL HN . 25889 1 98 . 1 1 60 60 VAL N N 15 114.577 0.1 . 1 . . . . 60 VAL N . 25889 1 99 . 1 1 61 61 GLY H H 1 7.458 0.02 . 1 . . . . 61 GLY HN . 25889 1 100 . 1 1 61 61 GLY N N 15 106.512 0.1 . 1 . . . . 61 GLY N . 25889 1 101 . 1 1 62 62 HIS H H 1 7.446 0.02 . 1 . . . . 62 HIS HN . 25889 1 102 . 1 1 62 62 HIS N N 15 119.718 0.1 . 1 . . . . 62 HIS N . 25889 1 103 . 1 1 63 63 SER H H 1 8.456 0.02 . 1 . . . . 63 SER HN . 25889 1 104 . 1 1 63 63 SER N N 15 116.732 0.1 . 1 . . . . 63 SER N . 25889 1 105 . 1 1 64 64 ILE H H 1 8.823 0.02 . 1 . . . . 64 ILE HN . 25889 1 106 . 1 1 64 64 ILE N N 15 125.968 0.1 . 1 . . . . 64 ILE N . 25889 1 107 . 1 1 65 65 ARG H H 1 8.992 0.02 . 1 . . . . 65 ARG HN . 25889 1 108 . 1 1 65 65 ARG N N 15 126.818 0.1 . 1 . . . . 65 ARG N . 25889 1 109 . 1 1 66 66 HIS H H 1 8.774 0.02 . 1 . . . . 66 HIS HN . 25889 1 110 . 1 1 66 66 HIS N N 15 116.284 0.1 . 1 . . . . 66 HIS N . 25889 1 111 . 1 1 68 68 ASP H H 1 8.528 0.02 . 1 . . . . 68 ASP HN . 25889 1 112 . 1 1 68 68 ASP N N 15 110.976 0.1 . 1 . . . . 68 ASP N . 25889 1 113 . 1 1 69 69 VAL H H 1 7.171 0.02 . 1 . . . . 69 VAL HN . 25889 1 114 . 1 1 69 69 VAL N N 15 114.819 0.1 . 1 . . . . 69 VAL N . 25889 1 115 . 1 1 70 70 GLU H H 1 7.921 0.02 . 1 . . . . 70 GLU HN . 25889 1 116 . 1 1 70 70 GLU N N 15 115.863 0.1 . 1 . . . . 70 GLU N . 25889 1 117 . 1 1 71 71 VAL H H 1 7.865 0.02 . 1 . . . . 71 VAL HN . 25889 1 118 . 1 1 71 71 VAL N N 15 116.803 0.1 . 1 . . . . 71 VAL N . 25889 1 119 . 1 1 72 72 ASP H H 1 9.085 0.02 . 1 . . . . 72 ASP HN . 25889 1 120 . 1 1 72 72 ASP N N 15 131.538 0.1 . 1 . . . . 72 ASP N . 25889 1 121 . 1 1 73 73 GLY H H 1 8.702 0.02 . 1 . . . . 73 GLY HN . 25889 1 122 . 1 1 73 73 GLY N N 15 113.411 0.1 . 1 . . . . 73 GLY N . 25889 1 123 . 1 1 74 74 PHE H H 1 7.670 0.02 . 1 . . . . 74 PHE HN . 25889 1 124 . 1 1 74 74 PHE N N 15 122.629 0.1 . 1 . . . . 74 PHE N . 25889 1 125 . 1 1 75 75 SER H H 1 8.711 0.02 . 1 . . . . 75 SER HN . 25889 1 126 . 1 1 75 75 SER N N 15 109.250 0.1 . 1 . . . . 75 SER N . 25889 1 127 . 1 1 76 76 GLU H H 1 7.422 0.02 . 1 . . . . 76 GLU HN . 25889 1 128 . 1 1 76 76 GLU N N 15 118.191 0.1 . 1 . . . . 76 GLU N . 25889 1 129 . 1 1 77 77 LEU H H 1 7.092 0.02 . 1 . . . . 77 LEU HN . 25889 1 130 . 1 1 77 77 LEU N N 15 118.577 0.1 . 1 . . . . 77 LEU N . 25889 1 131 . 1 1 78 78 ARG H H 1 8.742 0.02 . 1 . . . . 78 ARG HN . 25889 1 132 . 1 1 78 78 ARG N N 15 120.301 0.1 . 1 . . . . 78 ARG N . 25889 1 133 . 1 1 79 79 TRP H H 1 9.125 0.02 . 1 . . . . 79 TRP HN . 25889 1 134 . 1 1 79 79 TRP N N 15 124.659 0.1 . 1 . . . . 79 TRP N . 25889 1 135 . 1 1 80 80 ASP H H 1 9.012 0.02 . 1 . . . . 80 ASP HN . 25889 1 136 . 1 1 80 80 ASP N N 15 115.305 0.1 . 1 . . . . 80 ASP N . 25889 1 137 . 1 1 81 81 ASP H H 1 7.218 0.02 . 1 . . . . 81 ASP HN . 25889 1 138 . 1 1 81 81 ASP N N 15 119.690 0.1 . 1 . . . . 81 ASP N . 25889 1 139 . 1 1 82 82 GLN H H 1 8.151 0.02 . 1 . . . . 82 GLN HN . 25889 1 140 . 1 1 82 82 GLN N N 15 121.352 0.1 . 1 . . . . 82 GLN N . 25889 1 141 . 1 1 83 83 GLN H H 1 7.651 0.02 . 1 . . . . 83 GLN HN . 25889 1 142 . 1 1 83 83 GLN N N 15 115.074 0.1 . 1 . . . . 83 GLN N . 25889 1 143 . 1 1 84 84 LYS H H 1 7.582 0.02 . 1 . . . . 84 LYS HN . 25889 1 144 . 1 1 84 84 LYS N N 15 120.139 0.1 . 1 . . . . 84 LYS N . 25889 1 145 . 1 1 85 85 VAL H H 1 8.438 0.02 . 1 . . . . 85 VAL HN . 25889 1 146 . 1 1 85 85 VAL N N 15 121.018 0.1 . 1 . . . . 85 VAL N . 25889 1 147 . 1 1 86 86 LYS H H 1 8.263 0.02 . 1 . . . . 86 LYS HN . 25889 1 148 . 1 1 86 86 LYS N N 15 118.274 0.1 . 1 . . . . 86 LYS N . 25889 1 149 . 1 1 87 87 LYS H H 1 8.648 0.02 . 1 . . . . 87 LYS HN . 25889 1 150 . 1 1 87 87 LYS N N 15 117.527 0.1 . 1 . . . . 87 LYS N . 25889 1 151 . 1 1 88 88 THR H H 1 7.850 0.02 . 1 . . . . 88 THR HN . 25889 1 152 . 1 1 88 88 THR N N 15 116.007 0.1 . 1 . . . . 88 THR N . 25889 1 153 . 1 1 89 89 ALA H H 1 7.838 0.02 . 1 . . . . 89 ALA HN . 25889 1 154 . 1 1 89 89 ALA N N 15 123.090 0.1 . 1 . . . . 89 ALA N . 25889 1 155 . 1 1 90 90 GLU H H 1 7.704 0.02 . 1 . . . . 90 GLU HN . 25889 1 156 . 1 1 90 90 GLU N N 15 116.646 0.1 . 1 . . . . 90 GLU N . 25889 1 157 . 1 1 91 91 ALA H H 1 7.512 0.02 . 1 . . . . 91 ALA HN . 25889 1 158 . 1 1 91 91 ALA N N 15 121.030 0.1 . 1 . . . . 91 ALA N . 25889 1 159 . 1 1 92 92 GLY H H 1 7.944 0.02 . 1 . . . . 92 GLY HN . 25889 1 160 . 1 1 92 92 GLY N N 15 106.583 0.1 . 1 . . . . 92 GLY N . 25889 1 161 . 1 1 93 93 GLY H H 1 7.948 0.02 . 1 . . . . 93 GLY HN . 25889 1 162 . 1 1 93 93 GLY N N 15 107.311 0.1 . 1 . . . . 93 GLY N . 25889 1 163 . 1 1 94 94 VAL H H 1 7.886 0.02 . 1 . . . . 94 VAL HN . 25889 1 164 . 1 1 94 94 VAL N N 15 118.434 0.1 . 1 . . . . 94 VAL N . 25889 1 165 . 1 1 95 95 THR H H 1 8.194 0.02 . 1 . . . . 95 THR HN . 25889 1 166 . 1 1 95 95 THR N N 15 117.052 0.1 . 1 . . . . 95 THR N . 25889 1 167 . 1 1 96 96 GLY H H 1 8.367 0.02 . 1 . . . . 96 GLY HN . 25889 1 168 . 1 1 96 96 GLY N N 15 110.967 0.1 . 1 . . . . 96 GLY N . 25889 1 169 . 1 1 97 97 LYS H H 1 8.266 0.02 . 1 . . . . 97 LYS HN . 25889 1 170 . 1 1 97 97 LYS N N 15 120.869 0.1 . 1 . . . . 97 LYS N . 25889 1 171 . 1 1 98 98 GLY H H 1 8.514 0.02 . 1 . . . . 98 GLY HN . 25889 1 172 . 1 1 98 98 GLY N N 15 110.090 0.1 . 1 . . . . 98 GLY N . 25889 1 173 . 1 1 99 99 GLN H H 1 8.311 0.02 . 1 . . . . 99 GLN HN . 25889 1 174 . 1 1 99 99 GLN N N 15 119.939 0.1 . 1 . . . . 99 GLN N . 25889 1 175 . 1 1 100 100 ASP H H 1 8.405 0.02 . 1 . . . . 100 ASP HN . 25889 1 176 . 1 1 100 100 ASP N N 15 120.922 0.1 . 1 . . . . 100 ASP N . 25889 1 177 . 1 1 101 101 GLY H H 1 8.312 0.02 . 1 . . . . 101 GLY HN . 25889 1 178 . 1 1 101 101 GLY N N 15 108.867 0.1 . 1 . . . . 101 GLY N . 25889 1 179 . 1 1 102 102 ILE H H 1 8.023 0.02 . 1 . . . . 102 ILE HN . 25889 1 180 . 1 1 102 102 ILE N N 15 119.928 0.1 . 1 . . . . 102 ILE N . 25889 1 181 . 1 1 103 103 GLY H H 1 8.540 0.02 . 1 . . . . 103 GLY HN . 25889 1 182 . 1 1 103 103 GLY N N 15 112.356 0.1 . 1 . . . . 103 GLY N . 25889 1 183 . 1 1 106 106 ALA H H 1 8.208 0.02 . 1 . . . . 106 ALA HN . 25889 1 184 . 1 1 106 106 ALA N N 15 124.521 0.1 . 1 . . . . 106 ALA N . 25889 1 185 . 1 1 107 107 GLU H H 1 8.290 0.02 . 1 . . . . 107 GLU HN . 25889 1 186 . 1 1 107 107 GLU N N 15 119.969 0.1 . 1 . . . . 107 GLU N . 25889 1 187 . 1 1 108 108 LYS H H 1 8.605 0.02 . 1 . . . . 108 LYS HN . 25889 1 188 . 1 1 108 108 LYS N N 15 123.569 0.1 . 1 . . . . 108 LYS N . 25889 1 189 . 1 1 109 109 THR H H 1 8.090 0.02 . 1 . . . . 109 THR HN . 25889 1 190 . 1 1 109 109 THR N N 15 116.197 0.1 . 1 . . . . 109 THR N . 25889 1 191 . 1 1 110 110 LEU H H 1 8.899 0.02 . 1 . . . . 110 LEU HN . 25889 1 192 . 1 1 110 110 LEU N N 15 127.045 0.1 . 1 . . . . 110 LEU N . 25889 1 193 . 1 1 111 111 GLY H H 1 8.430 0.02 . 1 . . . . 111 GLY HN . 25889 1 194 . 1 1 111 111 GLY N N 15 107.075 0.1 . 1 . . . . 111 GLY N . 25889 1 195 . 1 1 112 112 ASP H H 1 8.596 0.02 . 1 . . . . 112 ASP HN . 25889 1 196 . 1 1 112 112 ASP N N 15 116.040 0.1 . 1 . . . . 112 ASP N . 25889 1 197 . 1 1 113 113 PHE H H 1 7.351 0.02 . 1 . . . . 113 PHE HN . 25889 1 198 . 1 1 113 113 PHE N N 15 116.176 0.1 . 1 . . . . 113 PHE N . 25889 1 199 . 1 1 114 114 ALA H H 1 8.398 0.02 . 1 . . . . 114 ALA HN . 25889 1 200 . 1 1 114 114 ALA N N 15 123.441 0.1 . 1 . . . . 114 ALA N . 25889 1 201 . 1 1 115 115 ALA H H 1 8.658 0.02 . 1 . . . . 115 ALA HN . 25889 1 202 . 1 1 115 115 ALA N N 15 118.391 0.1 . 1 . . . . 115 ALA N . 25889 1 203 . 1 1 116 116 GLU H H 1 8.656 0.02 . 1 . . . . 116 GLU HN . 25889 1 204 . 1 1 116 116 GLU N N 15 114.965 0.1 . 1 . . . . 116 GLU N . 25889 1 205 . 1 1 117 117 TYR H H 1 8.124 0.02 . 1 . . . . 117 TYR HN . 25889 1 206 . 1 1 117 117 TYR N N 15 116.853 0.1 . 1 . . . . 117 TYR N . 25889 1 207 . 1 1 118 118 ALA H H 1 9.092 0.02 . 1 . . . . 118 ALA HN . 25889 1 208 . 1 1 118 118 ALA N N 15 125.199 0.1 . 1 . . . . 118 ALA N . 25889 1 209 . 1 1 120 120 SER H H 1 7.770 0.02 . 1 . . . . 120 SER HN . 25889 1 210 . 1 1 120 120 SER N N 15 113.050 0.1 . 1 . . . . 120 SER N . 25889 1 211 . 1 1 122 122 ARG H H 1 7.745 0.02 . 1 . . . . 122 ARG HN . 25889 1 212 . 1 1 122 122 ARG N N 15 115.069 0.1 . 1 . . . . 122 ARG N . 25889 1 213 . 1 1 123 123 SER H H 1 9.051 0.02 . 1 . . . . 123 SER HN . 25889 1 214 . 1 1 123 123 SER N N 15 118.928 0.1 . 1 . . . . 123 SER N . 25889 1 215 . 1 1 124 124 THR H H 1 8.199 0.02 . 1 . . . . 124 THR HN . 25889 1 216 . 1 1 124 124 THR N N 15 116.070 0.1 . 1 . . . . 124 THR N . 25889 1 217 . 1 1 125 125 CYS H H 1 8.328 0.02 . 1 . . . . 125 CYS HN . 25889 1 218 . 1 1 125 125 CYS N N 15 125.889 0.1 . 1 . . . . 125 CYS N . 25889 1 219 . 1 1 126 126 LYS H H 1 8.668 0.02 . 1 . . . . 126 LYS HN . 25889 1 220 . 1 1 126 126 LYS N N 15 129.000 0.1 . 1 . . . . 126 LYS N . 25889 1 221 . 1 1 127 127 GLY H H 1 9.158 0.02 . 1 . . . . 127 GLY HN . 25889 1 222 . 1 1 127 127 GLY N N 15 111.298 0.1 . 1 . . . . 127 GLY N . 25889 1 223 . 1 1 128 128 CYS H H 1 8.057 0.02 . 1 . . . . 128 CYS HN . 25889 1 224 . 1 1 128 128 CYS N N 15 119.184 0.1 . 1 . . . . 128 CYS N . 25889 1 225 . 1 1 129 129 MET H H 1 8.116 0.02 . 1 . . . . 129 MET HN . 25889 1 226 . 1 1 129 129 MET N N 15 117.223 0.1 . 1 . . . . 129 MET N . 25889 1 227 . 1 1 130 130 GLU H H 1 8.421 0.02 . 1 . . . . 130 GLU HN . 25889 1 228 . 1 1 130 130 GLU N N 15 119.317 0.1 . 1 . . . . 130 GLU N . 25889 1 229 . 1 1 131 131 LYS H H 1 8.679 0.02 . 1 . . . . 131 LYS HN . 25889 1 230 . 1 1 131 131 LYS N N 15 119.523 0.1 . 1 . . . . 131 LYS N . 25889 1 231 . 1 1 132 132 ILE H H 1 8.104 0.02 . 1 . . . . 132 ILE HN . 25889 1 232 . 1 1 132 132 ILE N N 15 124.512 0.1 . 1 . . . . 132 ILE N . 25889 1 233 . 1 1 133 133 GLU H H 1 8.699 0.02 . 1 . . . . 133 GLU HN . 25889 1 234 . 1 1 133 133 GLU N N 15 127.938 0.1 . 1 . . . . 133 GLU N . 25889 1 235 . 1 1 134 134 LYS H H 1 8.365 0.02 . 1 . . . . 134 LYS HN . 25889 1 236 . 1 1 134 134 LYS N N 15 122.513 0.1 . 1 . . . . 134 LYS N . 25889 1 237 . 1 1 135 135 GLY H H 1 9.018 0.02 . 1 . . . . 135 GLY HN . 25889 1 238 . 1 1 135 135 GLY N N 15 114.488 0.1 . 1 . . . . 135 GLY N . 25889 1 239 . 1 1 136 136 GLN H H 1 7.820 0.02 . 1 . . . . 136 GLN HN . 25889 1 240 . 1 1 136 136 GLN N N 15 118.208 0.1 . 1 . . . . 136 GLN N . 25889 1 241 . 1 1 137 137 VAL H H 1 8.695 0.02 . 1 . . . . 137 VAL HN . 25889 1 242 . 1 1 137 137 VAL N N 15 121.848 0.1 . 1 . . . . 137 VAL N . 25889 1 243 . 1 1 138 138 ARG H H 1 9.121 0.02 . 1 . . . . 138 ARG HN . 25889 1 244 . 1 1 138 138 ARG N N 15 121.245 0.1 . 1 . . . . 138 ARG N . 25889 1 245 . 1 1 139 139 LEU H H 1 9.088 0.02 . 1 . . . . 139 LEU HN . 25889 1 246 . 1 1 139 139 LEU N N 15 121.881 0.1 . 1 . . . . 139 LEU N . 25889 1 247 . 1 1 140 140 SER H H 1 9.178 0.02 . 1 . . . . 140 SER HN . 25889 1 248 . 1 1 140 140 SER N N 15 115.431 0.1 . 1 . . . . 140 SER N . 25889 1 249 . 1 1 141 141 LYS H H 1 7.901 0.02 . 1 . . . . 141 LYS HN . 25889 1 250 . 1 1 141 141 LYS N N 15 118.712 0.1 . 1 . . . . 141 LYS N . 25889 1 251 . 1 1 142 142 LYS H H 1 8.185 0.02 . 1 . . . . 142 LYS HN . 25889 1 252 . 1 1 142 142 LYS N N 15 127.055 0.1 . 1 . . . . 142 LYS N . 25889 1 253 . 1 1 143 143 MET H H 1 8.829 0.02 . 1 . . . . 143 MET HN . 25889 1 254 . 1 1 143 143 MET N N 15 120.556 0.1 . 1 . . . . 143 MET N . 25889 1 255 . 1 1 144 144 VAL H H 1 8.404 0.02 . 1 . . . . 144 VAL HN . 25889 1 256 . 1 1 144 144 VAL N N 15 122.112 0.1 . 1 . . . . 144 VAL N . 25889 1 257 . 1 1 145 145 ASP H H 1 9.404 0.02 . 1 . . . . 145 ASP HN . 25889 1 258 . 1 1 145 145 ASP N N 15 129.493 0.1 . 1 . . . . 145 ASP N . 25889 1 259 . 1 1 147 147 GLU H H 1 8.375 0.02 . 1 . . . . 147 GLU HN . 25889 1 260 . 1 1 147 147 GLU N N 15 115.676 0.1 . 1 . . . . 147 GLU N . 25889 1 261 . 1 1 148 148 LYS H H 1 7.781 0.02 . 1 . . . . 148 LYS HN . 25889 1 262 . 1 1 148 148 LYS N N 15 118.280 0.1 . 1 . . . . 148 LYS N . 25889 1 263 . 1 1 150 150 GLN H H 1 9.258 0.02 . 1 . . . . 150 GLN HN . 25889 1 264 . 1 1 150 150 GLN N N 15 119.048 0.1 . 1 . . . . 150 GLN N . 25889 1 265 . 1 1 151 151 LEU H H 1 7.617 0.02 . 1 . . . . 151 LEU HN . 25889 1 266 . 1 1 151 151 LEU N N 15 118.992 0.1 . 1 . . . . 151 LEU N . 25889 1 267 . 1 1 152 152 GLY H H 1 7.705 0.02 . 1 . . . . 152 GLY HN . 25889 1 268 . 1 1 152 152 GLY N N 15 105.277 0.1 . 1 . . . . 152 GLY N . 25889 1 269 . 1 1 153 153 MET H H 1 8.322 0.02 . 1 . . . . 153 MET HN . 25889 1 270 . 1 1 153 153 MET N N 15 119.325 0.1 . 1 . . . . 153 MET N . 25889 1 271 . 1 1 154 154 ILE H H 1 8.599 0.02 . 1 . . . . 154 ILE HN . 25889 1 272 . 1 1 154 154 ILE N N 15 122.586 0.1 . 1 . . . . 154 ILE N . 25889 1 273 . 1 1 155 155 ASP H H 1 8.007 0.02 . 1 . . . . 155 ASP HN . 25889 1 274 . 1 1 155 155 ASP N N 15 120.067 0.1 . 1 . . . . 155 ASP N . 25889 1 275 . 1 1 156 156 ARG H H 1 8.081 0.02 . 1 . . . . 156 ARG HN . 25889 1 276 . 1 1 156 156 ARG N N 15 123.957 0.1 . 1 . . . . 156 ARG N . 25889 1 277 . 1 1 157 157 TRP H H 1 8.008 0.02 . 1 . . . . 157 TRP HN . 25889 1 278 . 1 1 157 157 TRP N N 15 122.043 0.1 . 1 . . . . 157 TRP N . 25889 1 279 . 1 1 158 158 TYR H H 1 9.826 0.02 . 1 . . . . 158 TYR HN . 25889 1 280 . 1 1 158 158 TYR N N 15 115.435 0.1 . 1 . . . . 158 TYR N . 25889 1 281 . 1 1 159 159 HIS H H 1 9.386 0.02 . 1 . . . . 159 HIS HN . 25889 1 282 . 1 1 159 159 HIS N N 15 120.318 0.1 . 1 . . . . 159 HIS N . 25889 1 283 . 1 1 161 161 GLY H H 1 9.260 0.02 . 1 . . . . 161 GLY HN . 25889 1 284 . 1 1 161 161 GLY N N 15 102.638 0.1 . 1 . . . . 161 GLY N . 25889 1 285 . 1 1 162 162 CYS H H 1 7.183 0.02 . 1 . . . . 162 CYS HN . 25889 1 286 . 1 1 162 162 CYS N N 15 122.244 0.1 . 1 . . . . 162 CYS N . 25889 1 287 . 1 1 163 163 PHE H H 1 8.659 0.02 . 1 . . . . 163 PHE HN . 25889 1 288 . 1 1 163 163 PHE N N 15 124.155 0.1 . 1 . . . . 163 PHE N . 25889 1 289 . 1 1 164 164 VAL H H 1 8.236 0.02 . 1 . . . . 164 VAL HN . 25889 1 290 . 1 1 164 164 VAL N N 15 115.936 0.1 . 1 . . . . 164 VAL N . 25889 1 291 . 1 1 165 165 LYS H H 1 7.532 0.02 . 1 . . . . 165 LYS HN . 25889 1 292 . 1 1 165 165 LYS N N 15 118.494 0.1 . 1 . . . . 165 LYS N . 25889 1 293 . 1 1 166 166 ASN H H 1 7.188 0.02 . 1 . . . . 166 ASN HN . 25889 1 294 . 1 1 166 166 ASN N N 15 115.668 0.1 . 1 . . . . 166 ASN N . 25889 1 295 . 1 1 167 167 ARG H H 1 7.135 0.02 . 1 . . . . 167 ARG HN . 25889 1 296 . 1 1 167 167 ARG N N 15 119.293 0.1 . 1 . . . . 167 ARG N . 25889 1 297 . 1 1 168 168 GLU H H 1 8.439 0.02 . 1 . . . . 168 GLU HN . 25889 1 298 . 1 1 168 168 GLU N N 15 118.534 0.1 . 1 . . . . 168 GLU N . 25889 1 299 . 1 1 169 169 GLU H H 1 8.435 0.02 . 1 . . . . 169 GLU HN . 25889 1 300 . 1 1 169 169 GLU N N 15 123.175 0.1 . 1 . . . . 169 GLU N . 25889 1 301 . 1 1 170 170 LEU H H 1 7.825 0.02 . 1 . . . . 170 LEU HN . 25889 1 302 . 1 1 170 170 LEU N N 15 116.026 0.1 . 1 . . . . 170 LEU N . 25889 1 303 . 1 1 171 171 GLY H H 1 7.791 0.02 . 1 . . . . 171 GLY HN . 25889 1 304 . 1 1 171 171 GLY N N 15 106.963 0.1 . 1 . . . . 171 GLY N . 25889 1 305 . 1 1 172 172 PHE H H 1 8.150 0.02 . 1 . . . . 172 PHE HN . 25889 1 306 . 1 1 172 172 PHE N N 15 123.749 0.1 . 1 . . . . 172 PHE N . 25889 1 307 . 1 1 173 173 ARG H H 1 5.988 0.02 . 1 . . . . 173 ARG HN . 25889 1 308 . 1 1 173 173 ARG N N 15 126.808 0.1 . 1 . . . . 173 ARG N . 25889 1 309 . 1 1 175 175 GLU H H 1 8.986 0.02 . 1 . . . . 175 GLU HN . 25889 1 310 . 1 1 175 175 GLU N N 15 112.641 0.1 . 1 . . . . 175 GLU N . 25889 1 311 . 1 1 176 176 TYR H H 1 7.546 0.02 . 1 . . . . 176 TYR HN . 25889 1 312 . 1 1 176 176 TYR N N 15 122.473 0.1 . 1 . . . . 176 TYR N . 25889 1 313 . 1 1 177 177 SER H H 1 8.128 0.02 . 1 . . . . 177 SER HN . 25889 1 314 . 1 1 177 177 SER N N 15 112.082 0.1 . 1 . . . . 177 SER N . 25889 1 315 . 1 1 178 178 ALA H H 1 8.457 0.02 . 1 . . . . 178 ALA HN . 25889 1 316 . 1 1 178 178 ALA N N 15 121.984 0.1 . 1 . . . . 178 ALA N . 25889 1 317 . 1 1 179 179 SER H H 1 7.489 0.02 . 1 . . . . 179 SER HN . 25889 1 318 . 1 1 179 179 SER N N 15 106.487 0.1 . 1 . . . . 179 SER N . 25889 1 319 . 1 1 180 180 GLN H H 1 7.633 0.02 . 1 . . . . 180 GLN HN . 25889 1 320 . 1 1 180 180 GLN N N 15 118.397 0.1 . 1 . . . . 180 GLN N . 25889 1 321 . 1 1 181 181 LEU H H 1 7.692 0.02 . 1 . . . . 181 LEU HN . 25889 1 322 . 1 1 181 181 LEU N N 15 119.559 0.1 . 1 . . . . 181 LEU N . 25889 1 323 . 1 1 182 182 LYS H H 1 9.075 0.02 . 1 . . . . 182 LYS HN . 25889 1 324 . 1 1 182 182 LYS N N 15 128.272 0.1 . 1 . . . . 182 LYS N . 25889 1 325 . 1 1 183 183 GLY H H 1 8.963 0.02 . 1 . . . . 183 GLY HN . 25889 1 326 . 1 1 183 183 GLY N N 15 114.229 0.1 . 1 . . . . 183 GLY N . 25889 1 327 . 1 1 184 184 PHE H H 1 8.204 0.02 . 1 . . . . 184 PHE HN . 25889 1 328 . 1 1 184 184 PHE N N 15 123.079 0.1 . 1 . . . . 184 PHE N . 25889 1 329 . 1 1 185 185 SER H H 1 8.518 0.02 . 1 . . . . 185 SER HN . 25889 1 330 . 1 1 185 185 SER N N 15 107.793 0.1 . 1 . . . . 185 SER N . 25889 1 331 . 1 1 186 186 LEU H H 1 7.395 0.02 . 1 . . . . 186 LEU HN . 25889 1 332 . 1 1 186 186 LEU N N 15 119.771 0.1 . 1 . . . . 186 LEU N . 25889 1 333 . 1 1 187 187 LEU H H 1 7.275 0.02 . 1 . . . . 187 LEU HN . 25889 1 334 . 1 1 187 187 LEU N N 15 119.178 0.1 . 1 . . . . 187 LEU N . 25889 1 335 . 1 1 188 188 ALA H H 1 8.841 0.02 . 1 . . . . 188 ALA HN . 25889 1 336 . 1 1 188 188 ALA N N 15 122.267 0.1 . 1 . . . . 188 ALA N . 25889 1 337 . 1 1 189 189 THR H H 1 8.899 0.02 . 1 . . . . 189 THR HN . 25889 1 338 . 1 1 189 189 THR N N 15 118.999 0.1 . 1 . . . . 189 THR N . 25889 1 339 . 1 1 190 190 GLU H H 1 9.643 0.02 . 1 . . . . 190 GLU HN . 25889 1 340 . 1 1 190 190 GLU N N 15 118.401 0.1 . 1 . . . . 190 GLU N . 25889 1 341 . 1 1 191 191 ASP H H 1 7.125 0.02 . 1 . . . . 191 ASP HN . 25889 1 342 . 1 1 191 191 ASP N N 15 118.601 0.1 . 1 . . . . 191 ASP N . 25889 1 343 . 1 1 192 192 LYS H H 1 8.242 0.02 . 1 . . . . 192 LYS HN . 25889 1 344 . 1 1 192 192 LYS N N 15 120.905 0.1 . 1 . . . . 192 LYS N . 25889 1 345 . 1 1 193 193 GLU H H 1 8.271 0.02 . 1 . . . . 193 GLU HN . 25889 1 346 . 1 1 193 193 GLU N N 15 115.853 0.1 . 1 . . . . 193 GLU N . 25889 1 347 . 1 1 194 194 ALA H H 1 7.621 0.02 . 1 . . . . 194 ALA HN . 25889 1 348 . 1 1 194 194 ALA N N 15 121.151 0.1 . 1 . . . . 194 ALA N . 25889 1 349 . 1 1 195 195 LEU H H 1 8.148 0.02 . 1 . . . . 195 LEU HN . 25889 1 350 . 1 1 195 195 LEU N N 15 118.247 0.1 . 1 . . . . 195 LEU N . 25889 1 351 . 1 1 196 196 LYS H H 1 8.444 0.02 . 1 . . . . 196 LYS HN . 25889 1 352 . 1 1 196 196 LYS N N 15 118.848 0.1 . 1 . . . . 196 LYS N . 25889 1 353 . 1 1 197 197 LYS H H 1 7.350 0.02 . 1 . . . . 197 LYS HN . 25889 1 354 . 1 1 197 197 LYS N N 15 115.521 0.1 . 1 . . . . 197 LYS N . 25889 1 355 . 1 1 198 198 GLN H H 1 7.350 0.02 . 1 . . . . 198 GLN HN . 25889 1 356 . 1 1 198 198 GLN N N 15 115.823 0.1 . 1 . . . . 198 GLN N . 25889 1 357 . 1 1 199 199 LEU H H 1 8.067 0.02 . 1 . . . . 199 LEU HN . 25889 1 358 . 1 1 199 199 LEU N N 15 118.025 0.1 . 1 . . . . 199 LEU N . 25889 1 359 . 1 1 201 201 GLY H H 1 8.415 0.02 . 1 . . . . 201 GLY HN . 25889 1 360 . 1 1 201 201 GLY N N 15 108.581 0.1 . 1 . . . . 201 GLY N . 25889 1 361 . 1 1 202 202 VAL H H 1 8.080 0.02 . 1 . . . . 202 VAL HN . 25889 1 362 . 1 1 202 202 VAL N N 15 120.231 0.1 . 1 . . . . 202 VAL N . 25889 1 363 . 1 1 203 203 LYS H H 1 8.385 0.02 . 1 . . . . 203 LYS HN . 25889 1 364 . 1 1 203 203 LYS N N 15 125.097 0.1 . 1 . . . . 203 LYS N . 25889 1 365 . 1 1 205 205 GLU H H 1 8.543 0.02 . 1 . . . . 205 GLU HN . 25889 1 366 . 1 1 205 205 GLU N N 15 123.086 0.1 . 1 . . . . 205 GLU N . 25889 1 367 . 1 1 206 206 GLY H H 1 8.400 0.02 . 1 . . . . 206 GLY HN . 25889 1 368 . 1 1 206 206 GLY N N 15 109.588 0.1 . 1 . . . . 206 GLY N . 25889 1 369 . 1 1 207 207 LYS H H 1 8.166 0.02 . 1 . . . . 207 LYS HN . 25889 1 370 . 1 1 207 207 LYS N N 15 120.993 0.1 . 1 . . . . 207 LYS N . 25889 1 371 . 1 1 208 208 ARG H H 1 8.428 0.02 . 1 . . . . 208 ARG HN . 25889 1 372 . 1 1 208 208 ARG N N 15 122.831 0.1 . 1 . . . . 208 ARG N . 25889 1 373 . 1 1 210 210 GLY H H 1 8.586 0.02 . 1 . . . . 210 GLY HN . 25889 1 374 . 1 1 210 210 GLY N N 15 110.461 0.1 . 1 . . . . 210 GLY N . 25889 1 375 . 1 1 211 211 ASP H H 1 8.212 0.02 . 1 . . . . 211 ASP HN . 25889 1 376 . 1 1 211 211 ASP N N 15 120.132 0.1 . 1 . . . . 211 ASP N . 25889 1 377 . 1 1 212 212 GLU H H 1 8.403 0.02 . 1 . . . . 212 GLU HN . 25889 1 378 . 1 1 212 212 GLU N N 15 120.472 0.1 . 1 . . . . 212 GLU N . 25889 1 379 . 1 1 213 213 VAL H H 1 8.097 0.02 . 1 . . . . 213 VAL HN . 25889 1 380 . 1 1 213 213 VAL N N 15 119.794 0.1 . 1 . . . . 213 VAL N . 25889 1 381 . 1 1 214 214 ASP H H 1 7.956 0.02 . 1 . . . . 214 ASP HN . 25889 1 382 . 1 1 214 214 ASP N N 15 128.542 0.1 . 1 . . . . 214 ASP N . 25889 1 stop_ save_