data_53522 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53522 _Entry.Title ; Chemical shift assignments for the NTD-WGR domain of human PARP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-02-05 _Entry.Accession_date 2026-02-05 _Entry.Last_release_date 2026-02-05 _Entry.Original_release_date 2026-02-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Rajbinder Virk . K. . 0000-0001-5496-8381 53522 2 'Tae Hun' Kim . . . 0000-0002-0344-6265 53522 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53522 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 163 53522 '1H chemical shifts' 163 53522 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 1 . . 2026-03-24 . original BMRB . 53522 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53520 'Chemical shift assignments for the disordered N-terminal domain (NTD, 1-89) of human PARP2' 53522 BMRB 53521 'Chemical shift assignments for the WGR domain (90-212) of human PARP2' 53522 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53522 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N resonance assignments of the N-terminal intrinsically disordered region and WGR domain of human PARP2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Rajbinder Virk . K. . . 53522 1 2 'Tae Hun' Kim . . . . 53522 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53522 _Assembly.ID 1 _Assembly.Name 'PARP2 NTD-WGR' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'PARP2 NTD-WGR' 1 $entity_1 . . yes native no no . . . 53522 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53522 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAARRRRSTGGGRARALNES KRVNNGNTAPEDSSPAKKTR RCQRQESKKMPVAGGKANKD RTEDKQDGMPGRSWASKRVS ESVKALLLKGKAPVDPECTA KVGKAHVYCEGNDVYDVMLN QTNLQFNNNKYYLIQLLEDD AQRNFSVWMRWGRVGKMGQH SLVACSGNLNKAKEIFQKKF LDKTKNNWEDREKFEKVPGK YDMLQMDYATNT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-212 _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 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24082.32 _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 . 53522 1 2 . ALA . 53522 1 3 . ALA . 53522 1 4 . ARG . 53522 1 5 . ARG . 53522 1 6 . ARG . 53522 1 7 . ARG . 53522 1 8 . SER . 53522 1 9 . THR . 53522 1 10 . GLY . 53522 1 11 . GLY . 53522 1 12 . GLY . 53522 1 13 . ARG . 53522 1 14 . ALA . 53522 1 15 . ARG . 53522 1 16 . ALA . 53522 1 17 . LEU . 53522 1 18 . ASN . 53522 1 19 . GLU . 53522 1 20 . SER . 53522 1 21 . LYS . 53522 1 22 . ARG . 53522 1 23 . VAL . 53522 1 24 . ASN . 53522 1 25 . ASN . 53522 1 26 . GLY . 53522 1 27 . ASN . 53522 1 28 . THR . 53522 1 29 . ALA . 53522 1 30 . PRO . 53522 1 31 . GLU . 53522 1 32 . ASP . 53522 1 33 . SER . 53522 1 34 . SER . 53522 1 35 . PRO . 53522 1 36 . ALA . 53522 1 37 . LYS . 53522 1 38 . LYS . 53522 1 39 . THR . 53522 1 40 . ARG . 53522 1 41 . ARG . 53522 1 42 . CYS . 53522 1 43 . GLN . 53522 1 44 . ARG . 53522 1 45 . GLN . 53522 1 46 . GLU . 53522 1 47 . SER . 53522 1 48 . LYS . 53522 1 49 . LYS . 53522 1 50 . MET . 53522 1 51 . PRO . 53522 1 52 . VAL . 53522 1 53 . ALA . 53522 1 54 . GLY . 53522 1 55 . GLY . 53522 1 56 . LYS . 53522 1 57 . ALA . 53522 1 58 . ASN . 53522 1 59 . LYS . 53522 1 60 . ASP . 53522 1 61 . ARG . 53522 1 62 . THR . 53522 1 63 . GLU . 53522 1 64 . ASP . 53522 1 65 . LYS . 53522 1 66 . GLN . 53522 1 67 . ASP . 53522 1 68 . GLY . 53522 1 69 . MET . 53522 1 70 . PRO . 53522 1 71 . GLY . 53522 1 72 . ARG . 53522 1 73 . SER . 53522 1 74 . TRP . 53522 1 75 . ALA . 53522 1 76 . SER . 53522 1 77 . LYS . 53522 1 78 . ARG . 53522 1 79 . VAL . 53522 1 80 . SER . 53522 1 81 . GLU . 53522 1 82 . SER . 53522 1 83 . VAL . 53522 1 84 . LYS . 53522 1 85 . ALA . 53522 1 86 . LEU . 53522 1 87 . LEU . 53522 1 88 . LEU . 53522 1 89 . LYS . 53522 1 90 . GLY . 53522 1 91 . LYS . 53522 1 92 . ALA . 53522 1 93 . PRO . 53522 1 94 . VAL . 53522 1 95 . ASP . 53522 1 96 . PRO . 53522 1 97 . GLU . 53522 1 98 . CYS . 53522 1 99 . THR . 53522 1 100 . ALA . 53522 1 101 . LYS . 53522 1 102 . VAL . 53522 1 103 . GLY . 53522 1 104 . LYS . 53522 1 105 . ALA . 53522 1 106 . HIS . 53522 1 107 . VAL . 53522 1 108 . TYR . 53522 1 109 . CYS . 53522 1 110 . GLU . 53522 1 111 . GLY . 53522 1 112 . ASN . 53522 1 113 . ASP . 53522 1 114 . VAL . 53522 1 115 . TYR . 53522 1 116 . ASP . 53522 1 117 . VAL . 53522 1 118 . MET . 53522 1 119 . LEU . 53522 1 120 . ASN . 53522 1 121 . GLN . 53522 1 122 . THR . 53522 1 123 . ASN . 53522 1 124 . LEU . 53522 1 125 . GLN . 53522 1 126 . PHE . 53522 1 127 . ASN . 53522 1 128 . ASN . 53522 1 129 . ASN . 53522 1 130 . LYS . 53522 1 131 . TYR . 53522 1 132 . TYR . 53522 1 133 . LEU . 53522 1 134 . ILE . 53522 1 135 . GLN . 53522 1 136 . LEU . 53522 1 137 . LEU . 53522 1 138 . GLU . 53522 1 139 . ASP . 53522 1 140 . ASP . 53522 1 141 . ALA . 53522 1 142 . GLN . 53522 1 143 . ARG . 53522 1 144 . ASN . 53522 1 145 . PHE . 53522 1 146 . SER . 53522 1 147 . VAL . 53522 1 148 . TRP . 53522 1 149 . MET . 53522 1 150 . ARG . 53522 1 151 . TRP . 53522 1 152 . GLY . 53522 1 153 . ARG . 53522 1 154 . VAL . 53522 1 155 . GLY . 53522 1 156 . LYS . 53522 1 157 . MET . 53522 1 158 . GLY . 53522 1 159 . GLN . 53522 1 160 . HIS . 53522 1 161 . SER . 53522 1 162 . LEU . 53522 1 163 . VAL . 53522 1 164 . ALA . 53522 1 165 . CYS . 53522 1 166 . SER . 53522 1 167 . GLY . 53522 1 168 . ASN . 53522 1 169 . LEU . 53522 1 170 . ASN . 53522 1 171 . LYS . 53522 1 172 . ALA . 53522 1 173 . LYS . 53522 1 174 . GLU . 53522 1 175 . ILE . 53522 1 176 . PHE . 53522 1 177 . GLN . 53522 1 178 . LYS . 53522 1 179 . LYS . 53522 1 180 . PHE . 53522 1 181 . LEU . 53522 1 182 . ASP . 53522 1 183 . LYS . 53522 1 184 . THR . 53522 1 185 . LYS . 53522 1 186 . ASN . 53522 1 187 . ASN . 53522 1 188 . TRP . 53522 1 189 . GLU . 53522 1 190 . ASP . 53522 1 191 . ARG . 53522 1 192 . GLU . 53522 1 193 . LYS . 53522 1 194 . PHE . 53522 1 195 . GLU . 53522 1 196 . LYS . 53522 1 197 . VAL . 53522 1 198 . PRO . 53522 1 199 . GLY . 53522 1 200 . LYS . 53522 1 201 . TYR . 53522 1 202 . ASP . 53522 1 203 . MET . 53522 1 204 . LEU . 53522 1 205 . GLN . 53522 1 206 . MET . 53522 1 207 . ASP . 53522 1 208 . TYR . 53522 1 209 . ALA . 53522 1 210 . THR . 53522 1 211 . ASN . 53522 1 212 . THR . 53522 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 53522 1 . ALA 2 2 53522 1 . ALA 3 3 53522 1 . ARG 4 4 53522 1 . ARG 5 5 53522 1 . ARG 6 6 53522 1 . ARG 7 7 53522 1 . SER 8 8 53522 1 . THR 9 9 53522 1 . GLY 10 10 53522 1 . GLY 11 11 53522 1 . GLY 12 12 53522 1 . ARG 13 13 53522 1 . ALA 14 14 53522 1 . ARG 15 15 53522 1 . ALA 16 16 53522 1 . LEU 17 17 53522 1 . ASN 18 18 53522 1 . GLU 19 19 53522 1 . SER 20 20 53522 1 . LYS 21 21 53522 1 . ARG 22 22 53522 1 . VAL 23 23 53522 1 . ASN 24 24 53522 1 . ASN 25 25 53522 1 . GLY 26 26 53522 1 . ASN 27 27 53522 1 . THR 28 28 53522 1 . ALA 29 29 53522 1 . PRO 30 30 53522 1 . GLU 31 31 53522 1 . ASP 32 32 53522 1 . SER 33 33 53522 1 . SER 34 34 53522 1 . PRO 35 35 53522 1 . ALA 36 36 53522 1 . LYS 37 37 53522 1 . LYS 38 38 53522 1 . THR 39 39 53522 1 . ARG 40 40 53522 1 . ARG 41 41 53522 1 . CYS 42 42 53522 1 . GLN 43 43 53522 1 . ARG 44 44 53522 1 . GLN 45 45 53522 1 . GLU 46 46 53522 1 . SER 47 47 53522 1 . LYS 48 48 53522 1 . LYS 49 49 53522 1 . MET 50 50 53522 1 . PRO 51 51 53522 1 . VAL 52 52 53522 1 . ALA 53 53 53522 1 . GLY 54 54 53522 1 . GLY 55 55 53522 1 . LYS 56 56 53522 1 . ALA 57 57 53522 1 . ASN 58 58 53522 1 . LYS 59 59 53522 1 . ASP 60 60 53522 1 . ARG 61 61 53522 1 . THR 62 62 53522 1 . GLU 63 63 53522 1 . ASP 64 64 53522 1 . LYS 65 65 53522 1 . GLN 66 66 53522 1 . ASP 67 67 53522 1 . GLY 68 68 53522 1 . MET 69 69 53522 1 . PRO 70 70 53522 1 . GLY 71 71 53522 1 . ARG 72 72 53522 1 . SER 73 73 53522 1 . TRP 74 74 53522 1 . ALA 75 75 53522 1 . SER 76 76 53522 1 . LYS 77 77 53522 1 . ARG 78 78 53522 1 . VAL 79 79 53522 1 . SER 80 80 53522 1 . GLU 81 81 53522 1 . SER 82 82 53522 1 . VAL 83 83 53522 1 . LYS 84 84 53522 1 . ALA 85 85 53522 1 . LEU 86 86 53522 1 . LEU 87 87 53522 1 . LEU 88 88 53522 1 . LYS 89 89 53522 1 . GLY 90 90 53522 1 . LYS 91 91 53522 1 . ALA 92 92 53522 1 . PRO 93 93 53522 1 . VAL 94 94 53522 1 . ASP 95 95 53522 1 . PRO 96 96 53522 1 . GLU 97 97 53522 1 . CYS 98 98 53522 1 . THR 99 99 53522 1 . ALA 100 100 53522 1 . LYS 101 101 53522 1 . VAL 102 102 53522 1 . GLY 103 103 53522 1 . LYS 104 104 53522 1 . ALA 105 105 53522 1 . HIS 106 106 53522 1 . VAL 107 107 53522 1 . TYR 108 108 53522 1 . CYS 109 109 53522 1 . GLU 110 110 53522 1 . GLY 111 111 53522 1 . ASN 112 112 53522 1 . ASP 113 113 53522 1 . VAL 114 114 53522 1 . TYR 115 115 53522 1 . ASP 116 116 53522 1 . VAL 117 117 53522 1 . MET 118 118 53522 1 . LEU 119 119 53522 1 . ASN 120 120 53522 1 . GLN 121 121 53522 1 . THR 122 122 53522 1 . ASN 123 123 53522 1 . LEU 124 124 53522 1 . GLN 125 125 53522 1 . PHE 126 126 53522 1 . ASN 127 127 53522 1 . ASN 128 128 53522 1 . ASN 129 129 53522 1 . LYS 130 130 53522 1 . TYR 131 131 53522 1 . TYR 132 132 53522 1 . LEU 133 133 53522 1 . ILE 134 134 53522 1 . GLN 135 135 53522 1 . LEU 136 136 53522 1 . LEU 137 137 53522 1 . GLU 138 138 53522 1 . ASP 139 139 53522 1 . ASP 140 140 53522 1 . ALA 141 141 53522 1 . GLN 142 142 53522 1 . ARG 143 143 53522 1 . ASN 144 144 53522 1 . PHE 145 145 53522 1 . SER 146 146 53522 1 . VAL 147 147 53522 1 . TRP 148 148 53522 1 . MET 149 149 53522 1 . ARG 150 150 53522 1 . TRP 151 151 53522 1 . GLY 152 152 53522 1 . ARG 153 153 53522 1 . VAL 154 154 53522 1 . GLY 155 155 53522 1 . LYS 156 156 53522 1 . MET 157 157 53522 1 . GLY 158 158 53522 1 . GLN 159 159 53522 1 . HIS 160 160 53522 1 . SER 161 161 53522 1 . LEU 162 162 53522 1 . VAL 163 163 53522 1 . ALA 164 164 53522 1 . CYS 165 165 53522 1 . SER 166 166 53522 1 . GLY 167 167 53522 1 . ASN 168 168 53522 1 . LEU 169 169 53522 1 . ASN 170 170 53522 1 . LYS 171 171 53522 1 . ALA 172 172 53522 1 . LYS 173 173 53522 1 . GLU 174 174 53522 1 . ILE 175 175 53522 1 . PHE 176 176 53522 1 . GLN 177 177 53522 1 . LYS 178 178 53522 1 . LYS 179 179 53522 1 . PHE 180 180 53522 1 . LEU 181 181 53522 1 . ASP 182 182 53522 1 . LYS 183 183 53522 1 . THR 184 184 53522 1 . LYS 185 185 53522 1 . ASN 186 186 53522 1 . ASN 187 187 53522 1 . TRP 188 188 53522 1 . GLU 189 189 53522 1 . ASP 190 190 53522 1 . ARG 191 191 53522 1 . GLU 192 192 53522 1 . LYS 193 193 53522 1 . PHE 194 194 53522 1 . GLU 195 195 53522 1 . LYS 196 196 53522 1 . VAL 197 197 53522 1 . PRO 198 198 53522 1 . GLY 199 199 53522 1 . LYS 200 200 53522 1 . TYR 201 201 53522 1 . ASP 202 202 53522 1 . MET 203 203 53522 1 . LEU 204 204 53522 1 . GLN 205 205 53522 1 . MET 206 206 53522 1 . ASP 207 207 53522 1 . TYR 208 208 53522 1 . ALA 209 209 53522 1 . THR 210 210 53522 1 . ASN 211 211 53522 1 . THR 212 212 53522 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53522 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53522 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53522 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-SUMO . . . 53522 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53522 _Sample.ID 1 _Sample.Name 'PARP2 NTD-WGR' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '25 mM MES, 4 mM TCEP, pH 5.5, 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 'PARP2 NTD-WGR' '[U-99% 15N]' . . 1 $entity_1 . . 727.6 . . uM . . . . 53522 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 53522 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 53522 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 53522 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR data acquisition conditions 15C' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 53522 1 temperature 288.15 . K 53522 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53522 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53522 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53522 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 2024.061.14.29 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53522 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53522 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 3.3.41 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53522 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53522 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz Bruker-BioSpin Avance NEO NMR Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '700 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53522 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53522 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53522 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name IUPAC _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53522 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53522 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53522 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 53522 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_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 53522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_NTD_WGR_15C _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53522 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53522 1 2 $software_2 . . 53522 1 3 $software_3 . . 53522 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.582766496 . . 1 . . . . . 2 ALA H . 53522 1 2 . 1 . 1 2 2 ALA N N 15 127.4004186 . . 1 . . . . . 2 ALA N . 53522 1 3 . 1 . 1 3 3 ALA H H 1 8.329745656 . . 1 . . . . . 3 ALA H . 53522 1 4 . 1 . 1 3 3 ALA N N 15 124.4336124 . . 1 . . . . . 3 ALA N . 53522 1 5 . 1 . 1 4 4 ARG H H 1 8.273518802 . . 1 . . . . . 4 ARG H . 53522 1 6 . 1 . 1 4 4 ARG N N 15 121.0429767 . . 1 . . . . . 4 ARG N . 53522 1 7 . 1 . 1 5 5 ARG H H 1 8.302401543 . . 1 . . . . . 5 ARG H . 53522 1 8 . 1 . 1 5 5 ARG N N 15 123.0814667 . . 1 . . . . . 5 ARG N . 53522 1 9 . 1 . 1 6 6 ARG H H 1 8.366771698 . . 1 . . . . . 6 ARG H . 53522 1 10 . 1 . 1 6 6 ARG N N 15 123.4844513 . . 1 . . . . . 6 ARG N . 53522 1 11 . 1 . 1 7 7 ARG H H 1 8.404606819 . . 1 . . . . . 7 ARG H . 53522 1 12 . 1 . 1 7 7 ARG N N 15 123.3805542 . . 1 . . . . . 7 ARG N . 53522 1 13 . 1 . 1 8 8 SER H H 1 8.402840565 . . 1 . . . . . 8 SER H . 53522 1 14 . 1 . 1 8 8 SER N N 15 117.9550764 . . 1 . . . . . 8 SER N . 53522 1 15 . 1 . 1 9 9 THR H H 1 8.183555837 . . 1 . . . . . 9 THR H . 53522 1 16 . 1 . 1 9 9 THR N N 15 115.5937409 . . 1 . . . . . 9 THR N . 53522 1 17 . 1 . 1 10 10 GLY H H 1 8.333545685 . . 1 . . . . . 10 GLY H . 53522 1 18 . 1 . 1 10 10 GLY N N 15 110.9243088 . . 1 . . . . . 10 GLY N . 53522 1 19 . 1 . 1 11 11 GLY H H 1 8.249693871 . . 1 . . . . . 11 GLY H . 53522 1 20 . 1 . 1 11 11 GLY N N 15 108.8559189 . . 1 . . . . . 11 GLY N . 53522 1 21 . 1 . 1 12 12 GLY H H 1 8.238162994 . . 1 . . . . . 12 GLY H . 53522 1 22 . 1 . 1 12 12 GLY N N 15 108.8519058 . . 1 . . . . . 12 GLY N . 53522 1 23 . 1 . 1 13 13 ARG H H 1 8.104838243 . . 1 . . . . . 13 ARG H . 53522 1 24 . 1 . 1 13 13 ARG N N 15 120.8007885 . . 1 . . . . . 13 ARG N . 53522 1 25 . 1 . 1 15 15 ARG H H 1 8.133642197 . . 1 . . . . . 15 ARG H . 53522 1 26 . 1 . 1 15 15 ARG N N 15 120.6612015 . . 1 . . . . . 15 ARG N . 53522 1 27 . 1 . 1 16 16 ALA H H 1 8.222287178 . . 1 . . . . . 16 ALA H . 53522 1 28 . 1 . 1 16 16 ALA N N 15 125.3262024 . . 1 . . . . . 16 ALA N . 53522 1 29 . 1 . 1 17 17 LEU H H 1 8.151866913 . . 1 . . . . . 17 LEU H . 53522 1 30 . 1 . 1 17 17 LEU N N 15 121.5840683 . . 1 . . . . . 17 LEU N . 53522 1 31 . 1 . 1 18 18 ASN H H 1 8.262273432 . . 1 . . . . . 18 ASN H . 53522 1 32 . 1 . 1 18 18 ASN N N 15 118.5605471 . . 1 . . . . . 18 ASN N . 53522 1 33 . 1 . 1 19 19 GLU H H 1 8.15544241 . . 1 . . . . . 19 GLU H . 53522 1 34 . 1 . 1 19 19 GLU N N 15 121.2246179 . . 1 . . . . . 19 GLU N . 53522 1 35 . 1 . 1 20 20 SER H H 1 8.189178522 . . 1 . . . . . 20 SER H . 53522 1 36 . 1 . 1 20 20 SER N N 15 116.8652292 . . 1 . . . . . 20 SER N . 53522 1 37 . 1 . 1 21 21 LYS H H 1 8.115973473 . . 1 . . . . . 21 LYS H . 53522 1 38 . 1 . 1 21 21 LYS N N 15 122.8862534 . . 1 . . . . . 21 LYS N . 53522 1 39 . 1 . 1 22 22 ARG H H 1 8.110460928 . . 1 . . . . . 22 ARG H . 53522 1 40 . 1 . 1 22 22 ARG N N 15 122.4355592 . . 1 . . . . . 22 ARG N . 53522 1 41 . 1 . 1 23 23 VAL H H 1 8.094968796 . . 1 . . . . . 23 VAL H . 53522 1 42 . 1 . 1 23 23 VAL N N 15 121.6402359 . . 1 . . . . . 23 VAL N . 53522 1 43 . 1 . 1 24 24 ASN H H 1 8.442199362 . . 1 . . . . . 24 ASN H . 53522 1 44 . 1 . 1 24 24 ASN N N 15 122.5566534 . . 1 . . . . . 24 ASN N . 53522 1 45 . 1 . 1 25 25 ASN H H 1 8.369104453 . . 1 . . . . . 25 ASN H . 53522 1 46 . 1 . 1 25 25 ASN N N 15 119.9531296 . . 1 . . . . . 25 ASN N . 53522 1 47 . 1 . 1 26 26 GLY H H 1 8.254300117 . . 1 . . . . . 26 GLY H . 53522 1 48 . 1 . 1 26 26 GLY N N 15 108.7127151 . . 1 . . . . . 26 GLY N . 53522 1 49 . 1 . 1 27 27 ASN H H 1 8.161065096 . . 1 . . . . . 27 ASN H . 53522 1 50 . 1 . 1 27 27 ASN N N 15 118.7421883 . . 1 . . . . . 27 ASN N . 53522 1 51 . 1 . 1 28 28 THR H H 1 8.009252592 . . 1 . . . . . 28 THR H . 53522 1 52 . 1 . 1 28 28 THR N N 15 114.6855349 . . 1 . . . . . 28 THR N . 53522 1 53 . 1 . 1 29 29 ALA H H 1 8.284764173 . . 1 . . . . . 29 ALA H . 53522 1 54 . 1 . 1 29 29 ALA N N 15 128.2480775 . . 1 . . . . . 29 ALA N . 53522 1 55 . 1 . 1 31 31 GLU H H 1 8.515294272 . . 1 . . . . . 31 GLU H . 53522 1 56 . 1 . 1 31 31 GLU N N 15 120.8613355 . . 1 . . . . . 31 GLU N . 53522 1 57 . 1 . 1 32 32 ASP H H 1 8.217291949 . . 1 . . . . . 32 ASP H . 53522 1 58 . 1 . 1 32 32 ASP N N 15 121.5879003 . . 1 . . . . . 32 ASP N . 53522 1 59 . 1 . 1 33 33 SER H H 1 8.093592872 . . 1 . . . . . 33 SER H . 53522 1 60 . 1 . 1 33 33 SER N N 15 116.5019468 . . 1 . . . . . 33 SER N . 53522 1 61 . 1 . 1 34 34 SER H H 1 8.149819725 . . 1 . . . . . 34 SER H . 53522 1 62 . 1 . 1 34 34 SER N N 15 118.8027353 . . 1 . . . . . 34 SER N . 53522 1 63 . 1 . 1 36 36 ALA H H 1 8.080506325 . . 1 . . . . . 36 ALA H . 53522 1 64 . 1 . 1 36 36 ALA N N 15 122.9097443 . . 1 . . . . . 36 ALA N . 53522 1 65 . 1 . 1 37 37 LYS H H 1 7.992384536 . . 1 . . . . . 37 LYS H . 53522 1 66 . 1 . 1 37 37 LYS N N 15 119.9531296 . . 1 . . . . . 37 LYS N . 53522 1 67 . 1 . 1 38 38 LYS H H 1 8.115608215 . . 1 . . . . . 38 LYS H . 53522 1 68 . 1 . 1 38 38 LYS N N 15 122.1261673 . . 1 . . . . . 38 LYS N . 53522 1 69 . 1 . 1 39 39 THR H H 1 7.986761851 . . 1 . . . . . 39 THR H . 53522 1 70 . 1 . 1 39 39 THR N N 15 115.5937409 . . 1 . . . . . 39 THR N . 53522 1 71 . 1 . 1 40 40 ARG H H 1 8.23978269 . . 1 . . . . . 40 ARG H . 53522 1 72 . 1 . 1 40 40 ARG N N 15 123.8281417 . . 1 . . . . . 40 ARG N . 53522 1 73 . 1 . 1 41 41 ARG H H 1 8.329157829 . . 1 . . . . . 41 ARG H . 53522 1 74 . 1 . 1 41 41 ARG N N 15 123.0409851 . . 1 . . . . . 41 ARG N . 53522 1 75 . 1 . 1 42 42 CYS H H 1 8.329774857 . . 1 . . . . . 42 CYS H . 53522 1 76 . 1 . 1 42 42 CYS N N 15 120.9453888 . . 1 . . . . . 42 CYS N . 53522 1 77 . 1 . 1 43 43 GLN H H 1 8.411743164 . . 1 . . . . . 43 GLN H . 53522 1 78 . 1 . 1 43 43 GLN N N 15 123.3858795 . . 1 . . . . . 43 GLN N . 53522 1 79 . 1 . 1 44 44 ARG H H 1 8.296009544 . . 1 . . . . . 44 ARG H . 53522 1 80 . 1 . 1 44 44 ARG N N 15 122.8593887 . . 1 . . . . . 44 ARG N . 53522 1 81 . 1 . 1 45 45 GLN H H 1 8.396416664 . . 1 . . . . . 45 GLN H . 53522 1 82 . 1 . 1 45 45 GLN N N 15 122.4651413 . . 1 . . . . . 45 GLN N . 53522 1 83 . 1 . 1 46 46 GLU H H 1 8.441801071 . . 1 . . . . . 46 GLU H . 53522 1 84 . 1 . 1 46 46 GLU N N 15 123.1703949 . . 1 . . . . . 46 GLU N . 53522 1 85 . 1 . 1 47 47 SER H H 1 8.318500285 . . 1 . . . . . 47 SER H . 53522 1 86 . 1 . 1 47 47 SER N N 15 117.7128882 . . 1 . . . . . 47 SER N . 53522 1 87 . 1 . 1 48 48 LYS H H 1 8.23978269 . . 1 . . . . . 48 LYS H . 53522 1 88 . 1 . 1 48 48 LYS N N 15 123.5859535 . . 1 . . . . . 48 LYS N . 53522 1 89 . 1 . 1 49 49 LYS H H 1 8.194890022 . . 1 . . . . . 49 LYS H . 53522 1 90 . 1 . 1 49 49 LYS N N 15 123.0342484 . . 1 . . . . . 49 LYS N . 53522 1 91 . 1 . 1 50 50 MET H H 1 8.303664207 . . 1 . . . . . 50 MET H . 53522 1 92 . 1 . 1 50 50 MET N N 15 123.804306 . . 1 . . . . . 50 MET N . 53522 1 93 . 1 . 1 52 52 VAL H H 1 8.14419704 . . 1 . . . . . 52 VAL H . 53522 1 94 . 1 . 1 52 52 VAL N N 15 120.9218826 . . 1 . . . . . 52 VAL N . 53522 1 95 . 1 . 1 53 53 ALA H H 1 8.369104453 . . 1 . . . . . 53 ALA H . 53522 1 96 . 1 . 1 53 53 ALA N N 15 128.6113599 . . 1 . . . . . 53 ALA N . 53522 1 97 . 1 . 1 54 54 GLY H H 1 8.306465149 . . 1 . . . . . 54 GLY H . 53522 1 98 . 1 . 1 54 54 GLY N N 15 108.8479004 . . 1 . . . . . 54 GLY N . 53522 1 99 . 1 . 1 55 55 GLY H H 1 8.143333435 . . 1 . . . . . 55 GLY H . 53522 1 100 . 1 . 1 55 55 GLY N N 15 108.5704727 . . 1 . . . . . 55 GLY N . 53522 1 101 . 1 . 1 56 56 LYS H H 1 8.104939461 . . 1 . . . . . 56 LYS H . 53522 1 102 . 1 . 1 56 56 LYS N N 15 120.8372726 . . 1 . . . . . 56 LYS N . 53522 1 103 . 1 . 1 57 57 ALA H H 1 8.248616219 . . 1 . . . . . 57 ALA H . 53522 1 104 . 1 . 1 57 57 ALA N N 15 124.9938889 . . 1 . . . . . 57 ALA N . 53522 1 105 . 1 . 1 58 58 ASN H H 1 8.240564346 . . 1 . . . . . 58 ASN H . 53522 1 106 . 1 . 1 58 58 ASN N N 15 118.2569046 . . 1 . . . . . 58 ASN N . 53522 1 107 . 1 . 1 59 59 LYS H H 1 8.172310466 . . 1 . . . . . 59 LYS H . 53522 1 108 . 1 . 1 59 59 LYS N N 15 121.7089945 . . 1 . . . . . 59 LYS N . 53522 1 109 . 1 . 1 60 60 ASP H H 1 8.198137283 . . 1 . . . . . 60 ASP H . 53522 1 110 . 1 . 1 60 60 ASP N N 15 121.0946655 . . 1 . . . . . 60 ASP N . 53522 1 111 . 1 . 1 61 61 ARG H H 1 8.126818657 . . 1 . . . . . 61 ARG H . 53522 1 112 . 1 . 1 61 61 ARG N N 15 121.1852036 . . 1 . . . . . 61 ARG N . 53522 1 113 . 1 . 1 62 62 THR H H 1 8.149819725 . . 1 . . . . . 62 THR H . 53522 1 114 . 1 . 1 62 62 THR N N 15 115.9570233 . . 1 . . . . . 62 THR N . 53522 1 115 . 1 . 1 63 63 GLU H H 1 8.391595194 . . 1 . . . . . 63 GLU H . 53522 1 116 . 1 . 1 63 63 GLU N N 15 122.6777475 . . 1 . . . . . 63 GLU N . 53522 1 117 . 1 . 1 64 64 ASP H H 1 8.161065096 . . 1 . . . . . 64 ASP H . 53522 1 118 . 1 . 1 64 64 ASP N N 15 121.6484474 . . 1 . . . . . 64 ASP N . 53522 1 119 . 1 . 1 65 65 LYS H H 1 8.126674652 . . 1 . . . . . 65 LYS H . 53522 1 120 . 1 . 1 65 65 LYS N N 15 121.7887802 . . 1 . . . . . 65 LYS N . 53522 1 121 . 1 . 1 66 66 GLN H H 1 8.307254914 . . 1 . . . . . 66 GLN H . 53522 1 122 . 1 . 1 66 66 GLN N N 15 121.1035238 . . 1 . . . . . 66 GLN N . 53522 1 123 . 1 . 1 67 67 ASP H H 1 8.191025734 . . 1 . . . . . 67 ASP H . 53522 1 124 . 1 . 1 67 67 ASP N N 15 121.1513062 . . 1 . . . . . 67 ASP N . 53522 1 125 . 1 . 1 68 68 GLY H H 1 8.166968346 . . 1 . . . . . 68 GLY H . 53522 1 126 . 1 . 1 68 68 GLY N N 15 108.8151474 . . 1 . . . . . 68 GLY N . 53522 1 127 . 1 . 1 69 69 MET H H 1 7.969893795 . . 1 . . . . . 69 MET H . 53522 1 128 . 1 . 1 69 69 MET N N 15 120.6796943 . . 1 . . . . . 69 MET N . 53522 1 129 . 1 . 1 71 71 GLY H H 1 8.340991026 . . 1 . . . . . 71 GLY H . 53522 1 130 . 1 . 1 71 71 GLY N N 15 109.175752 . . 1 . . . . . 71 GLY N . 53522 1 131 . 1 . 1 72 72 ARG H H 1 7.947403053 . . 1 . . . . . 72 ARG H . 53522 1 132 . 1 . 1 72 72 ARG N N 15 120.2558649 . . 1 . . . . . 72 ARG N . 53522 1 133 . 1 . 1 74 74 TRP H H 1 8.044316292 . . 1 . . . . . 74 TRP H . 53522 1 134 . 1 . 1 74 74 TRP N N 15 123.040947 . . 1 . . . . . 74 TRP N . 53522 1 135 . 1 . 1 75 75 ALA H H 1 7.902421571 . . 1 . . . . . 75 ALA H . 53522 1 136 . 1 . 1 75 75 ALA N N 15 124.3730653 . . 1 . . . . . 75 ALA N . 53522 1 137 . 1 . 1 76 76 SER H H 1 7.919289627 . . 1 . . . . . 76 SER H . 53522 1 138 . 1 . 1 76 76 SER N N 15 114.5038937 . . 1 . . . . . 76 SER N . 53522 1 139 . 1 . 1 77 77 LYS H H 1 8.049775124 . . 1 . . . . . 77 LYS H . 53522 1 140 . 1 . 1 77 77 LYS N N 15 122.9741135 . . 1 . . . . . 77 LYS N . 53522 1 141 . 1 . 1 80 80 SER H H 1 8.217291949 . . 1 . . . . . 80 SER H . 53522 1 142 . 1 . 1 80 80 SER N N 15 119.2265648 . . 1 . . . . . 80 SER N . 53522 1 143 . 1 . 1 92 92 ALA H H 1 8.362763014 . . 1 . . . . . 92 ALA H . 53522 1 144 . 1 . 1 92 92 ALA N N 15 127.9627327 . . 1 . . . . . 92 ALA N . 53522 1 145 . 1 . 1 95 95 ASP H H 1 9.11703812 . . 1 . . . . . 95 ASP H . 53522 1 146 . 1 . 1 95 95 ASP N N 15 129.1683871 . . 1 . . . . . 95 ASP N . 53522 1 147 . 1 . 1 97 97 GLU H H 1 6.958898417 . . 1 . . . . . 97 GLU H . 53522 1 148 . 1 . 1 97 97 GLU N N 15 111.242117 . . 1 . . . . . 97 GLU N . 53522 1 149 . 1 . 1 99 99 THR H H 1 7.497808665 . . 1 . . . . . 99 THR H . 53522 1 150 . 1 . 1 99 99 THR N N 15 118.3971999 . . 1 . . . . . 99 THR N . 53522 1 151 . 1 . 1 101 101 LYS H H 1 6.830671191 . . 1 . . . . . 101 LYS H . 53522 1 152 . 1 . 1 101 101 LYS N N 15 110.2805006 . . 1 . . . . . 101 LYS N . 53522 1 153 . 1 . 1 102 102 VAL H H 1 7.302309075 . . 1 . . . . . 102 VAL H . 53522 1 154 . 1 . 1 102 102 VAL N N 15 121.6957855 . . 1 . . . . . 102 VAL N . 53522 1 155 . 1 . 1 103 103 GLY H H 1 9.198843937 . . 1 . . . . . 103 GLY H . 53522 1 156 . 1 . 1 103 103 GLY N N 15 116.291363 . . 1 . . . . . 103 GLY N . 53522 1 157 . 1 . 1 104 104 LYS H H 1 7.856219827 . . 1 . . . . . 104 LYS H . 53522 1 158 . 1 . 1 104 104 LYS N N 15 116.3610674 . . 1 . . . . . 104 LYS N . 53522 1 159 . 1 . 1 105 105 ALA H H 1 7.473883919 . . 1 . . . . . 105 ALA H . 53522 1 160 . 1 . 1 105 105 ALA N N 15 123.2282044 . . 1 . . . . . 105 ALA N . 53522 1 161 . 1 . 1 106 106 HIS H H 1 8.137607132 . . 1 . . . . . 106 HIS H . 53522 1 162 . 1 . 1 106 106 HIS N N 15 112.4678448 . . 1 . . . . . 106 HIS N . 53522 1 163 . 1 . 1 107 107 VAL H H 1 8.966959152 . . 1 . . . . . 107 VAL H . 53522 1 164 . 1 . 1 107 107 VAL N N 15 122.7182849 . . 1 . . . . . 107 VAL N . 53522 1 165 . 1 . 1 108 108 TYR H H 1 9.484305983 . . 1 . . . . . 108 TYR H . 53522 1 166 . 1 . 1 108 108 TYR N N 15 131.2312209 . . 1 . . . . . 108 TYR N . 53522 1 167 . 1 . 1 109 109 CYS H H 1 7.496794701 . . 1 . . . . . 109 CYS H . 53522 1 168 . 1 . 1 109 109 CYS N N 15 123.7907639 . . 1 . . . . . 109 CYS N . 53522 1 169 . 1 . 1 111 111 GLY H H 1 8.864322184 . . 1 . . . . . 111 GLY H . 53522 1 170 . 1 . 1 111 111 GLY N N 15 117.3422404 . . 1 . . . . . 111 GLY N . 53522 1 171 . 1 . 1 112 112 ASN H H 1 8.933639721 . . 1 . . . . . 112 ASN H . 53522 1 172 . 1 . 1 112 112 ASN N N 15 125.5360758 . . 1 . . . . . 112 ASN N . 53522 1 173 . 1 . 1 113 113 ASP H H 1 8.348743439 . . 1 . . . . . 113 ASP H . 53522 1 174 . 1 . 1 113 113 ASP N N 15 121.0940323 . . 1 . . . . . 113 ASP N . 53522 1 175 . 1 . 1 115 115 TYR H H 1 8.284983787 . . 1 . . . . . 115 TYR H . 53522 1 176 . 1 . 1 115 115 TYR N N 15 129.1511136 . . 1 . . . . . 115 TYR N . 53522 1 177 . 1 . 1 117 117 VAL H H 1 9.027791452 . . 1 . . . . . 117 VAL H . 53522 1 178 . 1 . 1 117 117 VAL N N 15 123.3265124 . . 1 . . . . . 117 VAL N . 53522 1 179 . 1 . 1 118 118 MET H H 1 8.835327179 . . 1 . . . . . 118 MET H . 53522 1 180 . 1 . 1 118 118 MET N N 15 127.9714601 . . 1 . . . . . 118 MET N . 53522 1 181 . 1 . 1 119 119 LEU H H 1 9.146839171 . . 1 . . . . . 119 LEU H . 53522 1 182 . 1 . 1 119 119 LEU N N 15 126.442153 . . 1 . . . . . 119 LEU N . 53522 1 183 . 1 . 1 120 120 ASN H H 1 8.981715996 . . 1 . . . . . 120 ASN H . 53522 1 184 . 1 . 1 120 120 ASN N N 15 119.4621566 . . 1 . . . . . 120 ASN N . 53522 1 185 . 1 . 1 121 121 GLN H H 1 8.871127129 . . 1 . . . . . 121 GLN H . 53522 1 186 . 1 . 1 121 121 GLN N N 15 125.2956161 . . 1 . . . . . 121 GLN N . 53522 1 187 . 1 . 1 122 122 THR H H 1 8.494537354 . . 1 . . . . . 122 THR H . 53522 1 188 . 1 . 1 122 122 THR N N 15 121.6197128 . . 1 . . . . . 122 THR N . 53522 1 189 . 1 . 1 125 125 GLN H H 1 8.023809232 . . 1 . . . . . 125 GLN H . 53522 1 190 . 1 . 1 125 125 GLN N N 15 117.7975037 . . 1 . . . . . 125 GLN N . 53522 1 191 . 1 . 1 127 127 ASN H H 1 8.161539696 . . 1 . . . . . 127 ASN H . 53522 1 192 . 1 . 1 127 127 ASN N N 15 117.4233582 . . 1 . . . . . 127 ASN N . 53522 1 193 . 1 . 1 128 128 ASN H H 1 7.921597098 . . 1 . . . . . 128 ASN H . 53522 1 194 . 1 . 1 128 128 ASN N N 15 116.7177556 . . 1 . . . . . 128 ASN N . 53522 1 195 . 1 . 1 130 130 LYS H H 1 8.397797663 . . 1 . . . . . 130 LYS H . 53522 1 196 . 1 . 1 130 130 LYS N N 15 120.8919132 . . 1 . . . . . 130 LYS N . 53522 1 197 . 1 . 1 131 131 TYR H H 1 8.945257902 . . 1 . . . . . 131 TYR H . 53522 1 198 . 1 . 1 131 131 TYR N N 15 117.5728582 . . 1 . . . . . 131 TYR N . 53522 1 199 . 1 . 1 132 132 TYR H H 1 8.78140904 . . 1 . . . . . 132 TYR H . 53522 1 200 . 1 . 1 132 132 TYR N N 15 126.6349385 . . 1 . . . . . 132 TYR N . 53522 1 201 . 1 . 1 133 133 LEU H H 1 9.736072304 . . 1 . . . . . 133 LEU H . 53522 1 202 . 1 . 1 133 133 LEU N N 15 132.6599297 . . 1 . . . . . 133 LEU N . 53522 1 203 . 1 . 1 135 135 GLN H H 1 9.582313127 . . 1 . . . . . 135 GLN H . 53522 1 204 . 1 . 1 135 135 GLN N N 15 121.468617 . . 1 . . . . . 135 GLN N . 53522 1 205 . 1 . 1 136 136 LEU H H 1 8.760507353 . . 1 . . . . . 136 LEU H . 53522 1 206 . 1 . 1 136 136 LEU N N 15 127.9027781 . . 1 . . . . . 136 LEU N . 53522 1 207 . 1 . 1 137 137 LEU H H 1 9.199250679 . . 1 . . . . . 137 LEU H . 53522 1 208 . 1 . 1 137 137 LEU N N 15 124.8232992 . . 1 . . . . . 137 LEU N . 53522 1 209 . 1 . 1 138 138 GLU H H 1 8.81975791 . . 1 . . . . . 138 GLU H . 53522 1 210 . 1 . 1 138 138 GLU N N 15 124.9107067 . . 1 . . . . . 138 GLU N . 53522 1 211 . 1 . 1 139 139 ASP H H 1 8.00170151 . . 1 . . . . . 139 ASP H . 53522 1 212 . 1 . 1 139 139 ASP N N 15 127.5337381 . . 1 . . . . . 139 ASP N . 53522 1 213 . 1 . 1 140 140 ASP H H 1 8.397794494 . . 1 . . . . . 140 ASP H . 53522 1 214 . 1 . 1 140 140 ASP N N 15 119.2932956 . . 1 . . . . . 140 ASP N . 53522 1 215 . 1 . 1 141 141 ALA H H 1 8.242351632 . . 1 . . . . . 141 ALA H . 53522 1 216 . 1 . 1 141 141 ALA N N 15 118.2583364 . . 1 . . . . . 141 ALA N . 53522 1 217 . 1 . 1 142 142 GLN H H 1 6.8507684 . . 1 . . . . . 142 GLN H . 53522 1 218 . 1 . 1 142 142 GLN N N 15 111.9716495 . . 1 . . . . . 142 GLN N . 53522 1 219 . 1 . 1 144 144 ASN H H 1 6.935718566 . . 1 . . . . . 144 ASN H . 53522 1 220 . 1 . 1 144 144 ASN N N 15 124.977833 . . 1 . . . . . 144 ASN N . 53522 1 221 . 1 . 1 145 145 PHE H H 1 8.972149929 . . 1 . . . . . 145 PHE H . 53522 1 222 . 1 . 1 145 145 PHE N N 15 123.1300621 . . 1 . . . . . 145 PHE N . 53522 1 223 . 1 . 1 146 146 SER H H 1 8.972837997 . . 1 . . . . . 146 SER H . 53522 1 224 . 1 . 1 146 146 SER N N 15 115.3048335 . . 1 . . . . . 146 SER N . 53522 1 225 . 1 . 1 147 147 VAL H H 1 8.950478754 . . 1 . . . . . 147 VAL H . 53522 1 226 . 1 . 1 147 147 VAL N N 15 122.0022953 . . 1 . . . . . 147 VAL N . 53522 1 227 . 1 . 1 148 148 TRP H H 1 9.641700398 . . 1 . . . . . 148 TRP H . 53522 1 228 . 1 . 1 148 148 TRP HE1 H 1 12.57380386 0 . 1 . . . . . 148 TRP HE1 . 53522 1 229 . 1 . 1 148 148 TRP N N 15 130.4813363 . . 1 . . . . . 148 TRP N . 53522 1 230 . 1 . 1 148 148 TRP NE1 N 15 134.95 0 . 1 . . . . . 148 TRP NE1 . 53522 1 231 . 1 . 1 151 151 TRP H H 1 8.155885696 . . 1 . . . . . 151 TRP H . 53522 1 232 . 1 . 1 151 151 TRP HE1 H 1 9.695831448 0 . 1 . . . . . 151 TRP HE1 . 53522 1 233 . 1 . 1 151 151 TRP N N 15 124.2011108 . . 1 . . . . . 151 TRP N . 53522 1 234 . 1 . 1 151 151 TRP NE1 N 15 128.6439209 0 . 1 . . . . . 151 TRP NE1 . 53522 1 235 . 1 . 1 152 152 GLY H H 1 6.423031473 . . 1 . . . . . 152 GLY H . 53522 1 236 . 1 . 1 152 152 GLY N N 15 103.9504539 . . 1 . . . . . 152 GLY N . 53522 1 237 . 1 . 1 155 155 GLY H H 1 8.826353947 . . 1 . . . . . 155 GLY H . 53522 1 238 . 1 . 1 155 155 GLY N N 15 114.9295599 . . 1 . . . . . 155 GLY N . 53522 1 239 . 1 . 1 156 156 LYS H H 1 8.013370514 . . 1 . . . . . 156 LYS H . 53522 1 240 . 1 . 1 156 156 LYS N N 15 118.8825989 . . 1 . . . . . 156 LYS N . 53522 1 241 . 1 . 1 157 157 MET H H 1 8.733549675 . . 1 . . . . . 157 MET H . 53522 1 242 . 1 . 1 157 157 MET N N 15 122.8317362 . . 1 . . . . . 157 MET N . 53522 1 243 . 1 . 1 158 158 GLY H H 1 8.261708822 . . 1 . . . . . 158 GLY H . 53522 1 244 . 1 . 1 158 158 GLY N N 15 110.0441108 . . 1 . . . . . 158 GLY N . 53522 1 245 . 1 . 1 160 160 HIS H H 1 7.522849046 . . 1 . . . . . 160 HIS H . 53522 1 246 . 1 . 1 160 160 HIS N N 15 112.1032557 . . 1 . . . . . 160 HIS N . 53522 1 247 . 1 . 1 161 161 SER H H 1 8.454423814 . . 1 . . . . . 161 SER H . 53522 1 248 . 1 . 1 161 161 SER N N 15 113.5501503 . . 1 . . . . . 161 SER N . 53522 1 249 . 1 . 1 162 162 LEU H H 1 8.476289353 . . 1 . . . . . 162 LEU H . 53522 1 250 . 1 . 1 162 162 LEU N N 15 127.5898897 . . 1 . . . . . 162 LEU N . 53522 1 251 . 1 . 1 163 163 VAL H H 1 9.592918451 . . 1 . . . . . 163 VAL H . 53522 1 252 . 1 . 1 163 163 VAL N N 15 129.724161 . . 1 . . . . . 163 VAL N . 53522 1 253 . 1 . 1 164 164 ALA H H 1 8.880185469 . . 1 . . . . . 164 ALA H . 53522 1 254 . 1 . 1 164 164 ALA N N 15 132.4704486 . . 1 . . . . . 164 ALA N . 53522 1 255 . 1 . 1 165 165 CYS H H 1 8.489349446 . . 1 . . . . . 165 CYS H . 53522 1 256 . 1 . 1 165 165 CYS N N 15 119.4545212 . . 1 . . . . . 165 CYS N . 53522 1 257 . 1 . 1 166 166 SER H H 1 8.788829621 . . 1 . . . . . 166 SER H . 53522 1 258 . 1 . 1 166 166 SER N N 15 118.4853049 . . 1 . . . . . 166 SER N . 53522 1 259 . 1 . 1 169 169 LEU H H 1 7.343454838 . . 1 . . . . . 169 LEU H . 53522 1 260 . 1 . 1 169 169 LEU N N 15 126.8257217 . . 1 . . . . . 169 LEU N . 53522 1 261 . 1 . 1 171 171 LYS H H 1 7.251091973 . . 1 . . . . . 171 LYS H . 53522 1 262 . 1 . 1 171 171 LYS N N 15 121.6977068 . . 1 . . . . . 171 LYS N . 53522 1 263 . 1 . 1 172 172 ALA H H 1 7.048508291 . . 1 . . . . . 172 ALA H . 53522 1 264 . 1 . 1 172 172 ALA N N 15 120.997411 . . 1 . . . . . 172 ALA N . 53522 1 265 . 1 . 1 173 173 LYS H H 1 8.309728622 . . 1 . . . . . 173 LYS H . 53522 1 266 . 1 . 1 173 173 LYS N N 15 116.5682983 . . 1 . . . . . 173 LYS N . 53522 1 267 . 1 . 1 177 177 GLN H H 1 9.025342232 . . 1 . . . . . 177 GLN H . 53522 1 268 . 1 . 1 177 177 GLN N N 15 116.3751669 . . 1 . . . . . 177 GLN N . 53522 1 269 . 1 . 1 178 178 LYS H H 1 8.761508477 . . 1 . . . . . 178 LYS H . 53522 1 270 . 1 . 1 178 178 LYS N N 15 122.3942167 . . 1 . . . . . 178 LYS N . 53522 1 271 . 1 . 1 180 180 PHE H H 1 7.833245126 . . 1 . . . . . 180 PHE H . 53522 1 272 . 1 . 1 180 180 PHE N N 15 118.8036542 . . 1 . . . . . 180 PHE N . 53522 1 273 . 1 . 1 181 181 LEU H H 1 8.190910339 . . 1 . . . . . 181 LEU H . 53522 1 274 . 1 . 1 181 181 LEU N N 15 124.1865921 . . 1 . . . . . 181 LEU N . 53522 1 275 . 1 . 1 182 182 ASP H H 1 8.556056442 . . 1 . . . . . 182 ASP H . 53522 1 276 . 1 . 1 182 182 ASP N N 15 121.5180641 . . 1 . . . . . 182 ASP N . 53522 1 277 . 1 . 1 183 183 LYS H H 1 7.484184864 . . 1 . . . . . 183 LYS H . 53522 1 278 . 1 . 1 183 183 LYS N N 15 110.8773341 . . 1 . . . . . 183 LYS N . 53522 1 279 . 1 . 1 184 184 THR H H 1 7.715836391 . . 1 . . . . . 184 THR H . 53522 1 280 . 1 . 1 184 184 THR N N 15 106.1484725 . . 1 . . . . . 184 THR N . 53522 1 281 . 1 . 1 185 185 LYS H H 1 8.929422379 . . 1 . . . . . 185 LYS H . 53522 1 282 . 1 . 1 185 185 LYS N N 15 121.9997025 . . 1 . . . . . 185 LYS N . 53522 1 283 . 1 . 1 186 186 ASN H H 1 8.402674433 . . 1 . . . . . 186 ASN H . 53522 1 284 . 1 . 1 186 186 ASN N N 15 117.9409222 . . 1 . . . . . 186 ASN N . 53522 1 285 . 1 . 1 187 187 ASN H H 1 8.818201065 . . 1 . . . . . 187 ASN H . 53522 1 286 . 1 . 1 187 187 ASN N N 15 116.4089508 . . 1 . . . . . 187 ASN N . 53522 1 287 . 1 . 1 188 188 TRP H H 1 10.22109708 . . 1 . . . . . 188 TRP H . 53522 1 288 . 1 . 1 188 188 TRP HE1 H 1 8.034117429 0 . 1 . . . . . 188 TRP HE1 . 53522 1 289 . 1 . 1 188 188 TRP N N 15 128.2006301 . . 1 . . . . . 188 TRP N . 53522 1 290 . 1 . 1 188 188 TRP NE1 N 15 126.9989379 0 . 1 . . . . . 188 TRP NE1 . 53522 1 291 . 1 . 1 189 189 GLU H H 1 9.581635827 . . 1 . . . . . 189 GLU H . 53522 1 292 . 1 . 1 189 189 GLU N N 15 116.8322844 . . 1 . . . . . 189 GLU N . 53522 1 293 . 1 . 1 190 190 ASP H H 1 7.419112379 . . 1 . . . . . 190 ASP H . 53522 1 294 . 1 . 1 190 190 ASP N N 15 118.6973753 . . 1 . . . . . 190 ASP N . 53522 1 295 . 1 . 1 191 191 ARG H H 1 7.113271028 . . 1 . . . . . 191 ARG H . 53522 1 296 . 1 . 1 191 191 ARG N N 15 119.1243883 . . 1 . . . . . 191 ARG N . 53522 1 297 . 1 . 1 192 192 GLU H H 1 8.70974241 . . 1 . . . . . 192 GLU H . 53522 1 298 . 1 . 1 192 192 GLU N N 15 122.5508906 . . 1 . . . . . 192 GLU N . 53522 1 299 . 1 . 1 194 194 PHE H H 1 6.873937826 . . 1 . . . . . 194 PHE H . 53522 1 300 . 1 . 1 194 194 PHE N N 15 121.1543832 . . 1 . . . . . 194 PHE N . 53522 1 301 . 1 . 1 195 195 GLU H H 1 8.024458727 . . 1 . . . . . 195 GLU H . 53522 1 302 . 1 . 1 195 195 GLU N N 15 129.5766804 . . 1 . . . . . 195 GLU N . 53522 1 303 . 1 . 1 196 196 LYS H H 1 8.581943512 . . 1 . . . . . 196 LYS H . 53522 1 304 . 1 . 1 196 196 LYS N N 15 127.4508362 . . 1 . . . . . 196 LYS N . 53522 1 305 . 1 . 1 197 197 VAL H H 1 9.261967165 . . 1 . . . . . 197 VAL H . 53522 1 306 . 1 . 1 197 197 VAL N N 15 130.0718241 . . 1 . . . . . 197 VAL N . 53522 1 307 . 1 . 1 199 199 GLY H H 1 8.656071216 . . 1 . . . . . 199 GLY H . 53522 1 308 . 1 . 1 199 199 GLY N N 15 112.3180942 . . 1 . . . . . 199 GLY N . 53522 1 309 . 1 . 1 200 200 LYS H H 1 7.722630928 . . 1 . . . . . 200 LYS H . 53522 1 310 . 1 . 1 200 200 LYS N N 15 118.9799287 . . 1 . . . . . 200 LYS N . 53522 1 311 . 1 . 1 201 201 TYR H H 1 8.261839809 . . 1 . . . . . 201 TYR H . 53522 1 312 . 1 . 1 201 201 TYR N N 15 117.1816213 . . 1 . . . . . 201 TYR N . 53522 1 313 . 1 . 1 202 202 ASP H H 1 9.118489267 . . 1 . . . . . 202 ASP H . 53522 1 314 . 1 . 1 202 202 ASP N N 15 120.5957029 . . 1 . . . . . 202 ASP N . 53522 1 315 . 1 . 1 203 203 MET H H 1 7.47315214 . . 1 . . . . . 203 MET H . 53522 1 316 . 1 . 1 203 203 MET N N 15 121.6814588 . . 1 . . . . . 203 MET N . 53522 1 317 . 1 . 1 207 207 ASP H H 1 8.254206657 . . 1 . . . . . 207 ASP H . 53522 1 318 . 1 . 1 207 207 ASP N N 15 121.7253799 . . 1 . . . . . 207 ASP N . 53522 1 319 . 1 . 1 209 209 ALA H H 1 8.058318138 . . 1 . . . . . 209 ALA H . 53522 1 320 . 1 . 1 209 209 ALA N N 15 124.073288 . . 1 . . . . . 209 ALA N . 53522 1 321 . 1 . 1 210 210 THR H H 1 7.909778706 . . 1 . . . . . 210 THR H . 53522 1 322 . 1 . 1 210 210 THR N N 15 112.2440209 . . 1 . . . . . 210 THR N . 53522 1 323 . 1 . 1 211 211 ASN H H 1 8.266872406 . . 1 . . . . . 211 ASN H . 53522 1 324 . 1 . 1 211 211 ASN N N 15 121.1768188 . . 1 . . . . . 211 ASN N . 53522 1 325 . 1 . 1 212 212 THR H H 1 7.606288668 . . 1 . . . . . 212 THR H . 53522 1 326 . 1 . 1 212 212 THR N N 15 118.7188067 . . 1 . . . . . 212 THR N . 53522 1 stop_ save_