data_27661 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27661 _Entry.Title ; Amide chemical shifts of human PCNA bound to p12 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-25 _Entry.Accession_date 2018-10-25 _Entry.Last_release_date 2018-10-25 _Entry.Original_release_date 2018-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Alfredo 'De Biasio' . . . . 27661 2 Francisco Blanco . J. . . 27661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 202 27661 '1H chemical shifts' 202 27661 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-03-21 2018-10-25 update BMRB 'update entry citation' 27661 1 . . 2019-01-29 2018-10-25 original author 'original release' 27661 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27661 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA118.006391 _Citation.PubMed_ID 30655288 _Citation.Full_citation . _Citation.Title ; The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 294 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 3947 _Citation.Page_last 3956 _Citation.Year 2019 _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 Amaia Gonzalez-Magana A. . . . 27661 1 2 Alain 'Ibanez de Opakua' A. . . . 27661 1 3 Miguel Romano-Moreno M. . . . 27661 1 4 Javier Murciano-Calles J. . . . 27661 1 5 Nekane Merino N. . . . 27661 1 6 Irene Luque I. . . . 27661 1 7 Adriana Rojas A. L. . . 27661 1 8 Silvia Onesti S. . . . 27661 1 9 Francisco Blanco F. J. . . 27661 1 10 Alfredo 'De Biasio' A. . . . 27661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27661 _Assembly.ID 1 _Assembly.Name 'PCNA-p12 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 95000 _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 PCNA 1 $human_PCNA A . yes native no no . . . 27661 1 2 'p12 peptide' 2 $p12_peptide B . no native no no . . . 27661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_PCNA _Entity.Sf_category entity _Entity.Sf_framecode human_PCNA _Entity.Entry_ID 27661 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_PCNA _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 ; GPHMFEARLVQGSILKKVLE ALKDLINEACWDISSSGVNL QSMDSSHVSLVQLTLRSEGF DTYRCDRNLAMGVNLTSMSK ILKCAGNEDIITLRAEDNAD TLALVFEAPNQEKVSDYEMK LMDLDVEQLGIPEQEYSCVV KMPSGEFARICRDLSHIGDA VVISCAKDGVKFSASGELGN GNIKLSQTSNVDKEEEAVTI EMNEPVQLTFALRYLNFFTK ATPLSSTVTLSMSADVPLVV EYKIADMGHLKYYLAPKIED EEGS ; _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 264 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA sliding clamp that tethers DNA polymerases to the genomic template during replication' 27661 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 27661 1 2 -1 PRO . 27661 1 3 0 HIS . 27661 1 4 1 MET . 27661 1 5 2 PHE . 27661 1 6 3 GLU . 27661 1 7 4 ALA . 27661 1 8 5 ARG . 27661 1 9 6 LEU . 27661 1 10 7 VAL . 27661 1 11 8 GLN . 27661 1 12 9 GLY . 27661 1 13 10 SER . 27661 1 14 11 ILE . 27661 1 15 12 LEU . 27661 1 16 13 LYS . 27661 1 17 14 LYS . 27661 1 18 15 VAL . 27661 1 19 16 LEU . 27661 1 20 17 GLU . 27661 1 21 18 ALA . 27661 1 22 19 LEU . 27661 1 23 20 LYS . 27661 1 24 21 ASP . 27661 1 25 22 LEU . 27661 1 26 23 ILE . 27661 1 27 24 ASN . 27661 1 28 25 GLU . 27661 1 29 26 ALA . 27661 1 30 27 CYS . 27661 1 31 28 TRP . 27661 1 32 29 ASP . 27661 1 33 30 ILE . 27661 1 34 31 SER . 27661 1 35 32 SER . 27661 1 36 33 SER . 27661 1 37 34 GLY . 27661 1 38 35 VAL . 27661 1 39 36 ASN . 27661 1 40 37 LEU . 27661 1 41 38 GLN . 27661 1 42 39 SER . 27661 1 43 40 MET . 27661 1 44 41 ASP . 27661 1 45 42 SER . 27661 1 46 43 SER . 27661 1 47 44 HIS . 27661 1 48 45 VAL . 27661 1 49 46 SER . 27661 1 50 47 LEU . 27661 1 51 48 VAL . 27661 1 52 49 GLN . 27661 1 53 50 LEU . 27661 1 54 51 THR . 27661 1 55 52 LEU . 27661 1 56 53 ARG . 27661 1 57 54 SER . 27661 1 58 55 GLU . 27661 1 59 56 GLY . 27661 1 60 57 PHE . 27661 1 61 58 ASP . 27661 1 62 59 THR . 27661 1 63 60 TYR . 27661 1 64 61 ARG . 27661 1 65 62 CYS . 27661 1 66 63 ASP . 27661 1 67 64 ARG . 27661 1 68 65 ASN . 27661 1 69 66 LEU . 27661 1 70 67 ALA . 27661 1 71 68 MET . 27661 1 72 69 GLY . 27661 1 73 70 VAL . 27661 1 74 71 ASN . 27661 1 75 72 LEU . 27661 1 76 73 THR . 27661 1 77 74 SER . 27661 1 78 75 MET . 27661 1 79 76 SER . 27661 1 80 77 LYS . 27661 1 81 78 ILE . 27661 1 82 79 LEU . 27661 1 83 80 LYS . 27661 1 84 81 CYS . 27661 1 85 82 ALA . 27661 1 86 83 GLY . 27661 1 87 84 ASN . 27661 1 88 85 GLU . 27661 1 89 86 ASP . 27661 1 90 87 ILE . 27661 1 91 88 ILE . 27661 1 92 89 THR . 27661 1 93 90 LEU . 27661 1 94 91 ARG . 27661 1 95 92 ALA . 27661 1 96 93 GLU . 27661 1 97 94 ASP . 27661 1 98 95 ASN . 27661 1 99 96 ALA . 27661 1 100 97 ASP . 27661 1 101 98 THR . 27661 1 102 99 LEU . 27661 1 103 100 ALA . 27661 1 104 101 LEU . 27661 1 105 102 VAL . 27661 1 106 103 PHE . 27661 1 107 104 GLU . 27661 1 108 105 ALA . 27661 1 109 106 PRO . 27661 1 110 107 ASN . 27661 1 111 108 GLN . 27661 1 112 109 GLU . 27661 1 113 110 LYS . 27661 1 114 111 VAL . 27661 1 115 112 SER . 27661 1 116 113 ASP . 27661 1 117 114 TYR . 27661 1 118 115 GLU . 27661 1 119 116 MET . 27661 1 120 117 LYS . 27661 1 121 118 LEU . 27661 1 122 119 MET . 27661 1 123 120 ASP . 27661 1 124 121 LEU . 27661 1 125 122 ASP . 27661 1 126 123 VAL . 27661 1 127 124 GLU . 27661 1 128 125 GLN . 27661 1 129 126 LEU . 27661 1 130 127 GLY . 27661 1 131 128 ILE . 27661 1 132 129 PRO . 27661 1 133 130 GLU . 27661 1 134 131 GLN . 27661 1 135 132 GLU . 27661 1 136 133 TYR . 27661 1 137 134 SER . 27661 1 138 135 CYS . 27661 1 139 136 VAL . 27661 1 140 137 VAL . 27661 1 141 138 LYS . 27661 1 142 139 MET . 27661 1 143 140 PRO . 27661 1 144 141 SER . 27661 1 145 142 GLY . 27661 1 146 143 GLU . 27661 1 147 144 PHE . 27661 1 148 145 ALA . 27661 1 149 146 ARG . 27661 1 150 147 ILE . 27661 1 151 148 CYS . 27661 1 152 149 ARG . 27661 1 153 150 ASP . 27661 1 154 151 LEU . 27661 1 155 152 SER . 27661 1 156 153 HIS . 27661 1 157 154 ILE . 27661 1 158 155 GLY . 27661 1 159 156 ASP . 27661 1 160 157 ALA . 27661 1 161 158 VAL . 27661 1 162 159 VAL . 27661 1 163 160 ILE . 27661 1 164 161 SER . 27661 1 165 162 CYS . 27661 1 166 163 ALA . 27661 1 167 164 LYS . 27661 1 168 165 ASP . 27661 1 169 166 GLY . 27661 1 170 167 VAL . 27661 1 171 168 LYS . 27661 1 172 169 PHE . 27661 1 173 170 SER . 27661 1 174 171 ALA . 27661 1 175 172 SER . 27661 1 176 173 GLY . 27661 1 177 174 GLU . 27661 1 178 175 LEU . 27661 1 179 176 GLY . 27661 1 180 177 ASN . 27661 1 181 178 GLY . 27661 1 182 179 ASN . 27661 1 183 180 ILE . 27661 1 184 181 LYS . 27661 1 185 182 LEU . 27661 1 186 183 SER . 27661 1 187 184 GLN . 27661 1 188 185 THR . 27661 1 189 186 SER . 27661 1 190 187 ASN . 27661 1 191 188 VAL . 27661 1 192 189 ASP . 27661 1 193 190 LYS . 27661 1 194 191 GLU . 27661 1 195 192 GLU . 27661 1 196 193 GLU . 27661 1 197 194 ALA . 27661 1 198 195 VAL . 27661 1 199 196 THR . 27661 1 200 197 ILE . 27661 1 201 198 GLU . 27661 1 202 199 MET . 27661 1 203 200 ASN . 27661 1 204 201 GLU . 27661 1 205 202 PRO . 27661 1 206 203 VAL . 27661 1 207 204 GLN . 27661 1 208 205 LEU . 27661 1 209 206 THR . 27661 1 210 207 PHE . 27661 1 211 208 ALA . 27661 1 212 209 LEU . 27661 1 213 210 ARG . 27661 1 214 211 TYR . 27661 1 215 212 LEU . 27661 1 216 213 ASN . 27661 1 217 214 PHE . 27661 1 218 215 PHE . 27661 1 219 216 THR . 27661 1 220 217 LYS . 27661 1 221 218 ALA . 27661 1 222 219 THR . 27661 1 223 220 PRO . 27661 1 224 221 LEU . 27661 1 225 222 SER . 27661 1 226 223 SER . 27661 1 227 224 THR . 27661 1 228 225 VAL . 27661 1 229 226 THR . 27661 1 230 227 LEU . 27661 1 231 228 SER . 27661 1 232 229 MET . 27661 1 233 230 SER . 27661 1 234 231 ALA . 27661 1 235 232 ASP . 27661 1 236 233 VAL . 27661 1 237 234 PRO . 27661 1 238 235 LEU . 27661 1 239 236 VAL . 27661 1 240 237 VAL . 27661 1 241 238 GLU . 27661 1 242 239 TYR . 27661 1 243 240 LYS . 27661 1 244 241 ILE . 27661 1 245 242 ALA . 27661 1 246 243 ASP . 27661 1 247 244 MET . 27661 1 248 245 GLY . 27661 1 249 246 HIS . 27661 1 250 247 LEU . 27661 1 251 248 LYS . 27661 1 252 249 TYR . 27661 1 253 250 TYR . 27661 1 254 251 LEU . 27661 1 255 252 ALA . 27661 1 256 253 PRO . 27661 1 257 254 LYS . 27661 1 258 255 ILE . 27661 1 259 256 GLU . 27661 1 260 257 ASP . 27661 1 261 258 GLU . 27661 1 262 259 GLU . 27661 1 263 260 GLY . 27661 1 264 261 SER . 27661 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27661 1 . PRO 2 2 27661 1 . HIS 3 3 27661 1 . MET 4 4 27661 1 . PHE 5 5 27661 1 . GLU 6 6 27661 1 . ALA 7 7 27661 1 . ARG 8 8 27661 1 . LEU 9 9 27661 1 . VAL 10 10 27661 1 . GLN 11 11 27661 1 . GLY 12 12 27661 1 . SER 13 13 27661 1 . ILE 14 14 27661 1 . LEU 15 15 27661 1 . LYS 16 16 27661 1 . LYS 17 17 27661 1 . VAL 18 18 27661 1 . LEU 19 19 27661 1 . GLU 20 20 27661 1 . ALA 21 21 27661 1 . LEU 22 22 27661 1 . LYS 23 23 27661 1 . ASP 24 24 27661 1 . LEU 25 25 27661 1 . ILE 26 26 27661 1 . ASN 27 27 27661 1 . GLU 28 28 27661 1 . ALA 29 29 27661 1 . CYS 30 30 27661 1 . TRP 31 31 27661 1 . ASP 32 32 27661 1 . ILE 33 33 27661 1 . SER 34 34 27661 1 . SER 35 35 27661 1 . SER 36 36 27661 1 . GLY 37 37 27661 1 . VAL 38 38 27661 1 . ASN 39 39 27661 1 . LEU 40 40 27661 1 . GLN 41 41 27661 1 . SER 42 42 27661 1 . MET 43 43 27661 1 . ASP 44 44 27661 1 . SER 45 45 27661 1 . SER 46 46 27661 1 . HIS 47 47 27661 1 . VAL 48 48 27661 1 . SER 49 49 27661 1 . LEU 50 50 27661 1 . VAL 51 51 27661 1 . GLN 52 52 27661 1 . LEU 53 53 27661 1 . THR 54 54 27661 1 . LEU 55 55 27661 1 . ARG 56 56 27661 1 . SER 57 57 27661 1 . GLU 58 58 27661 1 . GLY 59 59 27661 1 . PHE 60 60 27661 1 . ASP 61 61 27661 1 . THR 62 62 27661 1 . TYR 63 63 27661 1 . ARG 64 64 27661 1 . CYS 65 65 27661 1 . ASP 66 66 27661 1 . ARG 67 67 27661 1 . ASN 68 68 27661 1 . LEU 69 69 27661 1 . ALA 70 70 27661 1 . MET 71 71 27661 1 . GLY 72 72 27661 1 . VAL 73 73 27661 1 . ASN 74 74 27661 1 . LEU 75 75 27661 1 . THR 76 76 27661 1 . SER 77 77 27661 1 . MET 78 78 27661 1 . SER 79 79 27661 1 . LYS 80 80 27661 1 . ILE 81 81 27661 1 . LEU 82 82 27661 1 . LYS 83 83 27661 1 . CYS 84 84 27661 1 . ALA 85 85 27661 1 . GLY 86 86 27661 1 . ASN 87 87 27661 1 . GLU 88 88 27661 1 . ASP 89 89 27661 1 . ILE 90 90 27661 1 . ILE 91 91 27661 1 . THR 92 92 27661 1 . LEU 93 93 27661 1 . ARG 94 94 27661 1 . ALA 95 95 27661 1 . GLU 96 96 27661 1 . ASP 97 97 27661 1 . ASN 98 98 27661 1 . ALA 99 99 27661 1 . ASP 100 100 27661 1 . THR 101 101 27661 1 . LEU 102 102 27661 1 . ALA 103 103 27661 1 . LEU 104 104 27661 1 . VAL 105 105 27661 1 . PHE 106 106 27661 1 . GLU 107 107 27661 1 . ALA 108 108 27661 1 . PRO 109 109 27661 1 . ASN 110 110 27661 1 . GLN 111 111 27661 1 . GLU 112 112 27661 1 . LYS 113 113 27661 1 . VAL 114 114 27661 1 . SER 115 115 27661 1 . ASP 116 116 27661 1 . TYR 117 117 27661 1 . GLU 118 118 27661 1 . MET 119 119 27661 1 . LYS 120 120 27661 1 . LEU 121 121 27661 1 . MET 122 122 27661 1 . ASP 123 123 27661 1 . LEU 124 124 27661 1 . ASP 125 125 27661 1 . VAL 126 126 27661 1 . GLU 127 127 27661 1 . GLN 128 128 27661 1 . LEU 129 129 27661 1 . GLY 130 130 27661 1 . ILE 131 131 27661 1 . PRO 132 132 27661 1 . GLU 133 133 27661 1 . GLN 134 134 27661 1 . GLU 135 135 27661 1 . TYR 136 136 27661 1 . SER 137 137 27661 1 . CYS 138 138 27661 1 . VAL 139 139 27661 1 . VAL 140 140 27661 1 . LYS 141 141 27661 1 . MET 142 142 27661 1 . PRO 143 143 27661 1 . SER 144 144 27661 1 . GLY 145 145 27661 1 . GLU 146 146 27661 1 . PHE 147 147 27661 1 . ALA 148 148 27661 1 . ARG 149 149 27661 1 . ILE 150 150 27661 1 . CYS 151 151 27661 1 . ARG 152 152 27661 1 . ASP 153 153 27661 1 . LEU 154 154 27661 1 . SER 155 155 27661 1 . HIS 156 156 27661 1 . ILE 157 157 27661 1 . GLY 158 158 27661 1 . ASP 159 159 27661 1 . ALA 160 160 27661 1 . VAL 161 161 27661 1 . VAL 162 162 27661 1 . ILE 163 163 27661 1 . SER 164 164 27661 1 . CYS 165 165 27661 1 . ALA 166 166 27661 1 . LYS 167 167 27661 1 . ASP 168 168 27661 1 . GLY 169 169 27661 1 . VAL 170 170 27661 1 . LYS 171 171 27661 1 . PHE 172 172 27661 1 . SER 173 173 27661 1 . ALA 174 174 27661 1 . SER 175 175 27661 1 . GLY 176 176 27661 1 . GLU 177 177 27661 1 . LEU 178 178 27661 1 . GLY 179 179 27661 1 . ASN 180 180 27661 1 . GLY 181 181 27661 1 . ASN 182 182 27661 1 . ILE 183 183 27661 1 . LYS 184 184 27661 1 . LEU 185 185 27661 1 . SER 186 186 27661 1 . GLN 187 187 27661 1 . THR 188 188 27661 1 . SER 189 189 27661 1 . ASN 190 190 27661 1 . VAL 191 191 27661 1 . ASP 192 192 27661 1 . LYS 193 193 27661 1 . GLU 194 194 27661 1 . GLU 195 195 27661 1 . GLU 196 196 27661 1 . ALA 197 197 27661 1 . VAL 198 198 27661 1 . THR 199 199 27661 1 . ILE 200 200 27661 1 . GLU 201 201 27661 1 . MET 202 202 27661 1 . ASN 203 203 27661 1 . GLU 204 204 27661 1 . PRO 205 205 27661 1 . VAL 206 206 27661 1 . GLN 207 207 27661 1 . LEU 208 208 27661 1 . THR 209 209 27661 1 . PHE 210 210 27661 1 . ALA 211 211 27661 1 . LEU 212 212 27661 1 . ARG 213 213 27661 1 . TYR 214 214 27661 1 . LEU 215 215 27661 1 . ASN 216 216 27661 1 . PHE 217 217 27661 1 . PHE 218 218 27661 1 . THR 219 219 27661 1 . LYS 220 220 27661 1 . ALA 221 221 27661 1 . THR 222 222 27661 1 . PRO 223 223 27661 1 . LEU 224 224 27661 1 . SER 225 225 27661 1 . SER 226 226 27661 1 . THR 227 227 27661 1 . VAL 228 228 27661 1 . THR 229 229 27661 1 . LEU 230 230 27661 1 . SER 231 231 27661 1 . MET 232 232 27661 1 . SER 233 233 27661 1 . ALA 234 234 27661 1 . ASP 235 235 27661 1 . VAL 236 236 27661 1 . PRO 237 237 27661 1 . LEU 238 238 27661 1 . VAL 239 239 27661 1 . VAL 240 240 27661 1 . GLU 241 241 27661 1 . TYR 242 242 27661 1 . LYS 243 243 27661 1 . ILE 244 244 27661 1 . ALA 245 245 27661 1 . ASP 246 246 27661 1 . MET 247 247 27661 1 . GLY 248 248 27661 1 . HIS 249 249 27661 1 . LEU 250 250 27661 1 . LYS 251 251 27661 1 . TYR 252 252 27661 1 . TYR 253 253 27661 1 . LEU 254 254 27661 1 . ALA 255 255 27661 1 . PRO 256 256 27661 1 . LYS 257 257 27661 1 . ILE 258 258 27661 1 . GLU 259 259 27661 1 . ASP 260 260 27661 1 . GLU 261 261 27661 1 . GLU 262 262 27661 1 . GLY 263 263 27661 1 . SER 264 264 27661 1 stop_ save_ save_p12_peptide _Entity.Sf_category entity _Entity.Sf_framecode p12_peptide _Entity.Entry_ID 27661 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'p12 peptide' _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 ; MGRKRLITDSYPVVKRREG ; _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27661 2 2 2 GLY . 27661 2 3 3 ARG . 27661 2 4 4 LYS . 27661 2 5 5 ARG . 27661 2 6 6 LEU . 27661 2 7 7 ILE . 27661 2 8 8 THR . 27661 2 9 9 ASP . 27661 2 10 10 SER . 27661 2 11 11 TYR . 27661 2 12 12 PRO . 27661 2 13 13 VAL . 27661 2 14 14 VAL . 27661 2 15 15 LYS . 27661 2 16 16 ARG . 27661 2 17 17 ARG . 27661 2 18 18 GLU . 27661 2 19 19 GLY . 27661 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27661 2 . GLY 2 2 27661 2 . ARG 3 3 27661 2 . LYS 4 4 27661 2 . ARG 5 5 27661 2 . LEU 6 6 27661 2 . ILE 7 7 27661 2 . THR 8 8 27661 2 . ASP 9 9 27661 2 . SER 10 10 27661 2 . TYR 11 11 27661 2 . PRO 12 12 27661 2 . VAL 13 13 27661 2 . VAL 14 14 27661 2 . LYS 15 15 27661 2 . ARG 16 16 27661 2 . ARG 17 17 27661 2 . GLU 18 18 27661 2 . GLY 19 19 27661 2 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 27661 _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 $human_PCNA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27661 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 27661 _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 $human_PCNA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 27661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27661 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mm shigemi tube' _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 'human PCNA' '[U-13C; U-15N; U-2H]' . . 1 $human_PCNA . . 45.4 . . uM . . . . 27661 1 2 'human POLD4 (p12) fragment spanning residues 1-19' 'natural abundance' . . . . . . 454 . . uM . . . . 27661 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27661 1 4 D2O [U-2H] . . . . . . 5 . . '% v/v' . . . . 27661 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 27661 1 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 27661 1 7 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 27661 1 8 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27661 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 27661 _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' 150 . mM 27661 1 pH 7 . pH 27661 1 pressure 1 . atm 27661 1 temperature 308 . K 27661 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27661 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27661 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27661 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27661 _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 spectrometer_1 Bruker Avance . 800 . . . 27661 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 27661 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27661 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 27661 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'BEST-TROSY version' 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 27661 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27661 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27661 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 27661 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27661 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.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 4 4 MET H H 1 8.673 0.01 . 1 . . . . . 1 MET H . 27661 1 2 . 1 1 4 4 MET N N 15 122.010 0.05 . 1 . . . . . 1 MET N . 27661 1 3 . 1 1 5 5 PHE H H 1 8.071 0.01 . 1 . . . . . 2 PHE H . 27661 1 4 . 1 1 5 5 PHE N N 15 120.293 0.05 . 1 . . . . . 2 PHE N . 27661 1 5 . 1 1 6 6 GLU H H 1 8.159 0.01 . 1 . . . . . 3 GLU H . 27661 1 6 . 1 1 6 6 GLU N N 15 126.731 0.05 . 1 . . . . . 3 GLU N . 27661 1 7 . 1 1 7 7 ALA H H 1 8.422 0.01 . 1 . . . . . 4 ALA H . 27661 1 8 . 1 1 7 7 ALA N N 15 128.505 0.05 . 1 . . . . . 4 ALA N . 27661 1 9 . 1 1 8 8 ARG H H 1 8.666 0.01 . 1 . . . . . 5 ARG H . 27661 1 10 . 1 1 8 8 ARG N N 15 124.202 0.05 . 1 . . . . . 5 ARG N . 27661 1 11 . 1 1 9 9 LEU H H 1 9.717 0.01 . 1 . . . . . 6 LEU H . 27661 1 12 . 1 1 9 9 LEU N N 15 129.995 0.05 . 1 . . . . . 6 LEU N . 27661 1 13 . 1 1 10 10 VAL H H 1 8.956 0.01 . 1 . . . . . 7 VAL H . 27661 1 14 . 1 1 10 10 VAL N N 15 126.148 0.05 . 1 . . . . . 7 VAL N . 27661 1 15 . 1 1 11 11 GLN H H 1 7.991 0.01 . 1 . . . . . 8 GLN H . 27661 1 16 . 1 1 11 11 GLN N N 15 118.561 0.05 . 1 . . . . . 8 GLN N . 27661 1 17 . 1 1 12 12 GLY H H 1 8.131 0.01 . 1 . . . . . 9 GLY H . 27661 1 18 . 1 1 12 12 GLY N N 15 111.084 0.05 . 1 . . . . . 9 GLY N . 27661 1 19 . 1 1 13 13 SER H H 1 8.440 0.01 . 1 . . . . . 10 SER H . 27661 1 20 . 1 1 13 13 SER N N 15 114.056 0.05 . 1 . . . . . 10 SER N . 27661 1 21 . 1 1 14 14 ILE H H 1 7.908 0.01 . 1 . . . . . 11 ILE H . 27661 1 22 . 1 1 14 14 ILE N N 15 121.472 0.05 . 1 . . . . . 11 ILE N . 27661 1 23 . 1 1 15 15 LEU H H 1 7.279 0.01 . 1 . . . . . 12 LEU H . 27661 1 24 . 1 1 15 15 LEU N N 15 117.196 0.05 . 1 . . . . . 12 LEU N . 27661 1 25 . 1 1 16 16 LYS H H 1 7.154 0.01 . 1 . . . . . 13 LYS H . 27661 1 26 . 1 1 16 16 LYS N N 15 116.392 0.05 . 1 . . . . . 13 LYS N . 27661 1 27 . 1 1 17 17 LYS H H 1 7.975 0.01 . 1 . . . . . 14 LYS H . 27661 1 28 . 1 1 17 17 LYS N N 15 117.112 0.05 . 1 . . . . . 14 LYS N . 27661 1 29 . 1 1 18 18 VAL H H 1 8.384 0.01 . 1 . . . . . 15 VAL H . 27661 1 30 . 1 1 18 18 VAL N N 15 120.304 0.05 . 1 . . . . . 15 VAL N . 27661 1 31 . 1 1 19 19 LEU H H 1 7.843 0.01 . 1 . . . . . 16 LEU H . 27661 1 32 . 1 1 19 19 LEU N N 15 120.084 0.05 . 1 . . . . . 16 LEU N . 27661 1 33 . 1 1 20 20 GLU H H 1 7.862 0.01 . 1 . . . . . 17 GLU H . 27661 1 34 . 1 1 20 20 GLU N N 15 117.632 0.05 . 1 . . . . . 17 GLU N . 27661 1 35 . 1 1 21 21 ALA H H 1 7.465 0.01 . 1 . . . . . 18 ALA H . 27661 1 36 . 1 1 21 21 ALA N N 15 118.768 0.05 . 1 . . . . . 18 ALA N . 27661 1 37 . 1 1 22 22 LEU H H 1 7.666 0.01 . 1 . . . . . 19 LEU H . 27661 1 38 . 1 1 22 22 LEU N N 15 118.088 0.05 . 1 . . . . . 19 LEU N . 27661 1 39 . 1 1 24 24 ASP H H 1 8.714 0.01 . 1 . . . . . 20 ASP H . 27661 1 40 . 1 1 24 24 ASP N N 15 119.043 0.05 . 1 . . . . . 20 ASP N . 27661 1 41 . 1 1 25 25 LEU H H 1 7.536 0.01 . 1 . . . . . 21 LEU H . 27661 1 42 . 1 1 25 25 LEU N N 15 119.844 0.05 . 1 . . . . . 21 LEU N . 27661 1 43 . 1 1 27 27 ASN H H 1 8.539 0.01 . 1 . . . . . 22 ASN H . 27661 1 44 . 1 1 27 27 ASN N N 15 120.243 0.05 . 1 . . . . . 22 ASN N . 27661 1 45 . 1 1 28 28 GLU H H 1 7.721 0.01 . 1 . . . . . 23 GLU H . 27661 1 46 . 1 1 28 28 GLU N N 15 116.711 0.05 . 1 . . . . . 23 GLU N . 27661 1 47 . 1 1 29 29 ALA H H 1 8.684 0.01 . 1 . . . . . 24 ALA H . 27661 1 48 . 1 1 29 29 ALA N N 15 120.687 0.05 . 1 . . . . . 24 ALA N . 27661 1 49 . 1 1 30 30 CYS H H 1 8.959 0.01 . 1 . . . . . 25 CYS H . 27661 1 50 . 1 1 30 30 CYS N N 15 119.999 0.05 . 1 . . . . . 25 CYS N . 27661 1 51 . 1 1 31 31 TRP H H 1 9.549 0.01 . 1 . . . . . 26 TRP H . 27661 1 52 . 1 1 31 31 TRP N N 15 129.379 0.05 . 1 . . . . . 26 TRP N . 27661 1 53 . 1 1 32 32 ASP H H 1 9.182 0.01 . 1 . . . . . 27 ASP H . 27661 1 54 . 1 1 32 32 ASP N N 15 125.532 0.05 . 1 . . . . . 27 ASP N . 27661 1 55 . 1 1 33 33 ILE H H 1 9.031 0.01 . 1 . . . . . 28 ILE H . 27661 1 56 . 1 1 33 33 ILE N N 15 127.862 0.05 . 1 . . . . . 28 ILE N . 27661 1 57 . 1 1 34 34 SER H H 1 8.836 0.01 . 1 . . . . . 29 SER H . 27661 1 58 . 1 1 34 34 SER N N 15 120.932 0.05 . 1 . . . . . 29 SER N . 27661 1 59 . 1 1 37 37 GLY H H 1 7.665 0.01 . 1 . . . . . 30 GLY H . 27661 1 60 . 1 1 37 37 GLY N N 15 111.048 0.05 . 1 . . . . . 30 GLY N . 27661 1 61 . 1 1 38 38 VAL H H 1 8.872 0.01 . 1 . . . . . 31 VAL H . 27661 1 62 . 1 1 38 38 VAL N N 15 119.444 0.05 . 1 . . . . . 31 VAL N . 27661 1 63 . 1 1 39 39 ASN H H 1 9.007 0.01 . 1 . . . . . 32 ASN H . 27661 1 64 . 1 1 39 39 ASN N N 15 124.731 0.05 . 1 . . . . . 32 ASN N . 27661 1 65 . 1 1 41 41 GLN H H 1 8.935 0.01 . 1 . . . . . 33 GLN H . 27661 1 66 . 1 1 41 41 GLN N N 15 125.884 0.05 . 1 . . . . . 33 GLN N . 27661 1 67 . 1 1 42 42 SER H H 1 8.453 0.01 . 1 . . . . . 34 SER H . 27661 1 68 . 1 1 42 42 SER N N 15 117.230 0.05 . 1 . . . . . 34 SER N . 27661 1 69 . 1 1 43 43 MET H H 1 8.949 0.01 . 1 . . . . . 35 MET H . 27661 1 70 . 1 1 43 43 MET N N 15 124.964 0.05 . 1 . . . . . 35 MET N . 27661 1 71 . 1 1 46 46 SER H H 1 8.412 0.01 . 1 . . . . . 36 SER H . 27661 1 72 . 1 1 46 46 SER N N 15 116.052 0.05 . 1 . . . . . 36 SER N . 27661 1 73 . 1 1 51 51 VAL H H 1 8.874 0.01 . 1 . . . . . 37 VAL H . 27661 1 74 . 1 1 51 51 VAL N N 15 122.738 0.05 . 1 . . . . . 37 VAL N . 27661 1 75 . 1 1 53 53 LEU H H 1 9.366 0.01 . 1 . . . . . 38 LEU H . 27661 1 76 . 1 1 53 53 LEU N N 15 128.939 0.05 . 1 . . . . . 38 LEU N . 27661 1 77 . 1 1 54 54 THR H H 1 8.405 0.01 . 1 . . . . . 39 THR H . 27661 1 78 . 1 1 54 54 THR N N 15 122.476 0.05 . 1 . . . . . 39 THR N . 27661 1 79 . 1 1 55 55 LEU H H 1 8.788 0.01 . 1 . . . . . 40 LEU H . 27661 1 80 . 1 1 55 55 LEU N N 15 124.544 0.05 . 1 . . . . . 40 LEU N . 27661 1 81 . 1 1 56 56 ARG H H 1 9.078 0.01 . 1 . . . . . 41 ARG H . 27661 1 82 . 1 1 56 56 ARG N N 15 123.383 0.05 . 1 . . . . . 41 ARG N . 27661 1 83 . 1 1 57 57 SER H H 1 8.119 0.01 . 1 . . . . . 42 SER H . 27661 1 84 . 1 1 57 57 SER N N 15 118.107 0.05 . 1 . . . . . 42 SER N . 27661 1 85 . 1 1 59 59 GLY H H 1 8.116 0.01 . 1 . . . . . 43 GLY H . 27661 1 86 . 1 1 59 59 GLY N N 15 105.421 0.05 . 1 . . . . . 43 GLY N . 27661 1 87 . 1 1 60 60 PHE H H 1 7.620 0.01 . 1 . . . . . 44 PHE H . 27661 1 88 . 1 1 60 60 PHE N N 15 118.096 0.05 . 1 . . . . . 44 PHE N . 27661 1 89 . 1 1 61 61 ASP H H 1 8.755 0.01 . 1 . . . . . 45 ASP H . 27661 1 90 . 1 1 61 61 ASP N N 15 123.790 0.05 . 1 . . . . . 45 ASP N . 27661 1 91 . 1 1 62 62 THR H H 1 7.720 0.01 . 1 . . . . . 46 THR H . 27661 1 92 . 1 1 62 62 THR N N 15 108.431 0.05 . 1 . . . . . 46 THR N . 27661 1 93 . 1 1 63 63 TYR H H 1 8.684 0.01 . 1 . . . . . 47 TYR H . 27661 1 94 . 1 1 63 63 TYR N N 15 125.355 0.05 . 1 . . . . . 47 TYR N . 27661 1 95 . 1 1 64 64 ARG H H 1 8.463 0.01 . 1 . . . . . 48 ARG H . 27661 1 96 . 1 1 64 64 ARG N N 15 130.379 0.05 . 1 . . . . . 48 ARG N . 27661 1 97 . 1 1 65 65 CYS H H 1 9.003 0.01 . 1 . . . . . 49 CYS H . 27661 1 98 . 1 1 65 65 CYS N N 15 125.583 0.05 . 1 . . . . . 49 CYS N . 27661 1 99 . 1 1 66 66 ASP H H 1 8.825 0.01 . 1 . . . . . 50 ASP H . 27661 1 100 . 1 1 66 66 ASP N N 15 128.218 0.05 . 1 . . . . . 50 ASP N . 27661 1 101 . 1 1 67 67 ARG H H 1 7.744 0.01 . 1 . . . . . 51 ARG H . 27661 1 102 . 1 1 67 67 ARG N N 15 116.632 0.05 . 1 . . . . . 51 ARG N . 27661 1 103 . 1 1 68 68 ASN H H 1 8.219 0.01 . 1 . . . . . 52 ASN H . 27661 1 104 . 1 1 68 68 ASN N N 15 119.164 0.05 . 1 . . . . . 52 ASN N . 27661 1 105 . 1 1 69 69 LEU H H 1 8.717 0.01 . 1 . . . . . 53 LEU H . 27661 1 106 . 1 1 69 69 LEU N N 15 122.658 0.05 . 1 . . . . . 53 LEU N . 27661 1 107 . 1 1 70 70 ALA H H 1 8.340 0.01 . 1 . . . . . 54 ALA H . 27661 1 108 . 1 1 70 70 ALA N N 15 126.518 0.05 . 1 . . . . . 54 ALA N . 27661 1 109 . 1 1 71 71 MET H H 1 8.772 0.01 . 1 . . . . . 55 MET H . 27661 1 110 . 1 1 71 71 MET N N 15 121.387 0.05 . 1 . . . . . 55 MET N . 27661 1 111 . 1 1 72 72 GLY H H 1 9.292 0.01 . 1 . . . . . 56 GLY H . 27661 1 112 . 1 1 72 72 GLY N N 15 115.751 0.05 . 1 . . . . . 56 GLY N . 27661 1 113 . 1 1 73 73 VAL H H 1 8.721 0.01 . 1 . . . . . 57 VAL H . 27661 1 114 . 1 1 73 73 VAL N N 15 122.986 0.05 . 1 . . . . . 57 VAL N . 27661 1 115 . 1 1 74 74 ASN H H 1 8.616 0.01 . 1 . . . . . 58 ASN H . 27661 1 116 . 1 1 74 74 ASN N N 15 123.038 0.05 . 1 . . . . . 58 ASN N . 27661 1 117 . 1 1 75 75 LEU H H 1 8.897 0.01 . 1 . . . . . 59 LEU H . 27661 1 118 . 1 1 75 75 LEU N N 15 127.358 0.05 . 1 . . . . . 59 LEU N . 27661 1 119 . 1 1 76 76 THR H H 1 8.291 0.01 . 1 . . . . . 60 THR H . 27661 1 120 . 1 1 76 76 THR N N 15 118.962 0.05 . 1 . . . . . 60 THR N . 27661 1 121 . 1 1 78 78 MET H H 1 8.230 0.01 . 1 . . . . . 61 MET H . 27661 1 122 . 1 1 78 78 MET N N 15 119.641 0.05 . 1 . . . . . 61 MET N . 27661 1 123 . 1 1 79 79 SER H H 1 8.412 0.01 . 1 . . . . . 62 SER H . 27661 1 124 . 1 1 79 79 SER N N 15 113.042 0.05 . 1 . . . . . 62 SER N . 27661 1 125 . 1 1 80 80 LYS H H 1 7.551 0.01 . 1 . . . . . 63 LYS H . 27661 1 126 . 1 1 80 80 LYS N N 15 120.770 0.05 . 1 . . . . . 63 LYS N . 27661 1 127 . 1 1 82 82 LEU H H 1 8.135 0.01 . 1 . . . . . 64 LEU H . 27661 1 128 . 1 1 82 82 LEU N N 15 118.843 0.05 . 1 . . . . . 64 LEU N . 27661 1 129 . 1 1 83 83 LYS H H 1 7.576 0.01 . 1 . . . . . 65 LYS H . 27661 1 130 . 1 1 83 83 LYS N N 15 118.822 0.05 . 1 . . . . . 65 LYS N . 27661 1 131 . 1 1 84 84 CYS H H 1 7.635 0.01 . 1 . . . . . 66 CYS H . 27661 1 132 . 1 1 84 84 CYS N N 15 115.760 0.05 . 1 . . . . . 66 CYS N . 27661 1 133 . 1 1 85 85 ALA H H 1 7.106 0.01 . 1 . . . . . 67 ALA H . 27661 1 134 . 1 1 85 85 ALA N N 15 123.682 0.05 . 1 . . . . . 67 ALA N . 27661 1 135 . 1 1 86 86 GLY H H 1 9.063 0.01 . 1 . . . . . 68 GLY H . 27661 1 136 . 1 1 86 86 GLY N N 15 112.600 0.05 . 1 . . . . . 68 GLY N . 27661 1 137 . 1 1 89 89 ASP H H 1 6.929 0.01 . 1 . . . . . 69 ASP H . 27661 1 138 . 1 1 89 89 ASP N N 15 120.872 0.05 . 1 . . . . . 69 ASP N . 27661 1 139 . 1 1 90 90 ILE H H 1 8.577 0.01 . 1 . . . . . 70 ILE H . 27661 1 140 . 1 1 90 90 ILE N N 15 121.454 0.05 . 1 . . . . . 70 ILE N . 27661 1 141 . 1 1 91 91 ILE H H 1 8.675 0.01 . 1 . . . . . 71 ILE H . 27661 1 142 . 1 1 91 91 ILE N N 15 127.916 0.05 . 1 . . . . . 71 ILE N . 27661 1 143 . 1 1 92 92 THR H H 1 9.511 0.01 . 1 . . . . . 72 THR H . 27661 1 144 . 1 1 92 92 THR N N 15 124.664 0.05 . 1 . . . . . 72 THR N . 27661 1 145 . 1 1 93 93 LEU H H 1 8.980 0.01 . 1 . . . . . 73 LEU H . 27661 1 146 . 1 1 93 93 LEU N N 15 125.527 0.05 . 1 . . . . . 73 LEU N . 27661 1 147 . 1 1 95 95 ALA H H 1 8.803 0.01 . 1 . . . . . 74 ALA H . 27661 1 148 . 1 1 95 95 ALA N N 15 123.462 0.05 . 1 . . . . . 74 ALA N . 27661 1 149 . 1 1 96 96 GLU H H 1 8.889 0.01 . 1 . . . . . 75 GLU H . 27661 1 150 . 1 1 96 96 GLU N N 15 121.457 0.05 . 1 . . . . . 75 GLU N . 27661 1 151 . 1 1 97 97 ASP H H 1 8.562 0.01 . 1 . . . . . 76 ASP H . 27661 1 152 . 1 1 97 97 ASP N N 15 120.185 0.05 . 1 . . . . . 76 ASP N . 27661 1 153 . 1 1 98 98 ASN H H 1 8.485 0.01 . 1 . . . . . 77 ASN H . 27661 1 154 . 1 1 98 98 ASN N N 15 118.036 0.05 . 1 . . . . . 77 ASN N . 27661 1 155 . 1 1 99 99 ALA H H 1 7.677 0.01 . 1 . . . . . 78 ALA H . 27661 1 156 . 1 1 99 99 ALA N N 15 120.155 0.05 . 1 . . . . . 78 ALA N . 27661 1 157 . 1 1 100 100 ASP H H 1 8.472 0.01 . 1 . . . . . 79 ASP H . 27661 1 158 . 1 1 100 100 ASP N N 15 117.436 0.05 . 1 . . . . . 79 ASP N . 27661 1 159 . 1 1 101 101 THR H H 1 7.382 0.01 . 1 . . . . . 80 THR H . 27661 1 160 . 1 1 101 101 THR N N 15 109.214 0.05 . 1 . . . . . 80 THR N . 27661 1 161 . 1 1 102 102 LEU H H 1 8.681 0.01 . 1 . . . . . 81 LEU H . 27661 1 162 . 1 1 102 102 LEU N N 15 123.039 0.05 . 1 . . . . . 81 LEU N . 27661 1 163 . 1 1 103 103 ALA H H 1 8.937 0.01 . 1 . . . . . 82 ALA H . 27661 1 164 . 1 1 103 103 ALA N N 15 128.818 0.05 . 1 . . . . . 82 ALA N . 27661 1 165 . 1 1 104 104 LEU H H 1 8.830 0.01 . 1 . . . . . 83 LEU H . 27661 1 166 . 1 1 104 104 LEU N N 15 120.590 0.05 . 1 . . . . . 83 LEU N . 27661 1 167 . 1 1 105 105 VAL H H 1 9.047 0.01 . 1 . . . . . 84 VAL H . 27661 1 168 . 1 1 105 105 VAL N N 15 122.406 0.05 . 1 . . . . . 84 VAL N . 27661 1 169 . 1 1 106 106 PHE H H 1 9.370 0.01 . 1 . . . . . 85 PHE H . 27661 1 170 . 1 1 106 106 PHE N N 15 126.654 0.05 . 1 . . . . . 85 PHE N . 27661 1 171 . 1 1 107 107 GLU H H 1 9.541 0.01 . 1 . . . . . 86 GLU H . 27661 1 172 . 1 1 107 107 GLU N N 15 126.290 0.05 . 1 . . . . . 86 GLU N . 27661 1 173 . 1 1 108 108 ALA H H 1 7.833 0.01 . 1 . . . . . 87 ALA H . 27661 1 174 . 1 1 108 108 ALA N N 15 127.679 0.05 . 1 . . . . . 87 ALA N . 27661 1 175 . 1 1 110 110 ASN H H 1 8.288 0.01 . 1 . . . . . 88 ASN H . 27661 1 176 . 1 1 110 110 ASN N N 15 113.834 0.05 . 1 . . . . . 88 ASN N . 27661 1 177 . 1 1 114 114 VAL H H 1 8.560 0.01 . 1 . . . . . 89 VAL H . 27661 1 178 . 1 1 114 114 VAL N N 15 125.643 0.05 . 1 . . . . . 89 VAL N . 27661 1 179 . 1 1 115 115 SER H H 1 8.948 0.01 . 1 . . . . . 90 SER H . 27661 1 180 . 1 1 115 115 SER N N 15 123.061 0.05 . 1 . . . . . 90 SER N . 27661 1 181 . 1 1 116 116 ASP H H 1 9.158 0.01 . 1 . . . . . 91 ASP H . 27661 1 182 . 1 1 116 116 ASP N N 15 123.192 0.05 . 1 . . . . . 91 ASP N . 27661 1 183 . 1 1 117 117 TYR H H 1 9.188 0.01 . 1 . . . . . 92 TYR H . 27661 1 184 . 1 1 117 117 TYR N N 15 120.670 0.05 . 1 . . . . . 92 TYR N . 27661 1 185 . 1 1 118 118 GLU H H 1 8.848 0.01 . 1 . . . . . 93 GLU H . 27661 1 186 . 1 1 118 118 GLU N N 15 121.741 0.05 . 1 . . . . . 93 GLU N . 27661 1 187 . 1 1 119 119 MET H H 1 9.078 0.01 . 1 . . . . . 94 MET H . 27661 1 188 . 1 1 119 119 MET N N 15 122.444 0.05 . 1 . . . . . 94 MET N . 27661 1 189 . 1 1 120 120 LYS H H 1 8.226 0.01 . 1 . . . . . 95 LYS H . 27661 1 190 . 1 1 120 120 LYS N N 15 124.364 0.05 . 1 . . . . . 95 LYS N . 27661 1 191 . 1 1 121 121 LEU H H 1 7.985 0.01 . 1 . . . . . 96 LEU H . 27661 1 192 . 1 1 121 121 LEU N N 15 122.968 0.05 . 1 . . . . . 96 LEU N . 27661 1 193 . 1 1 122 122 MET H H 1 8.604 0.01 . 1 . . . . . 97 MET H . 27661 1 194 . 1 1 122 122 MET N N 15 117.611 0.05 . 1 . . . . . 97 MET N . 27661 1 195 . 1 1 124 124 LEU H H 1 8.112 0.01 . 1 . . . . . 98 LEU H . 27661 1 196 . 1 1 124 124 LEU N N 15 124.341 0.05 . 1 . . . . . 98 LEU N . 27661 1 197 . 1 1 125 125 ASP H H 1 8.389 0.01 . 1 . . . . . 99 ASP H . 27661 1 198 . 1 1 125 125 ASP N N 15 122.849 0.05 . 1 . . . . . 99 ASP N . 27661 1 199 . 1 1 126 126 VAL H H 1 8.165 0.01 . 1 . . . . . 100 VAL H . 27661 1 200 . 1 1 126 126 VAL N N 15 120.379 0.05 . 1 . . . . . 100 VAL N . 27661 1 201 . 1 1 127 127 GLU H H 1 8.528 0.01 . 1 . . . . . 101 GLU H . 27661 1 202 . 1 1 127 127 GLU N N 15 125.621 0.05 . 1 . . . . . 101 GLU N . 27661 1 203 . 1 1 128 128 GLN H H 1 8.637 0.01 . 1 . . . . . 102 GLN H . 27661 1 204 . 1 1 128 128 GLN N N 15 122.718 0.05 . 1 . . . . . 102 GLN N . 27661 1 205 . 1 1 129 129 LEU H H 1 8.248 0.01 . 1 . . . . . 103 LEU H . 27661 1 206 . 1 1 129 129 LEU N N 15 125.326 0.05 . 1 . . . . . 103 LEU N . 27661 1 207 . 1 1 133 133 GLU H H 1 8.321 0.01 . 1 . . . . . 104 GLU H . 27661 1 208 . 1 1 133 133 GLU N N 15 121.346 0.05 . 1 . . . . . 104 GLU N . 27661 1 209 . 1 1 135 135 GLU H H 1 8.052 0.01 . 1 . . . . . 105 GLU H . 27661 1 210 . 1 1 135 135 GLU N N 15 120.634 0.05 . 1 . . . . . 105 GLU N . 27661 1 211 . 1 1 138 138 CYS H H 1 8.607 0.01 . 1 . . . . . 106 CYS H . 27661 1 212 . 1 1 138 138 CYS N N 15 118.816 0.05 . 1 . . . . . 106 CYS N . 27661 1 213 . 1 1 139 139 VAL H H 1 8.753 0.01 . 1 . . . . . 107 VAL H . 27661 1 214 . 1 1 139 139 VAL N N 15 125.213 0.05 . 1 . . . . . 107 VAL N . 27661 1 215 . 1 1 140 140 VAL H H 1 9.500 0.01 . 1 . . . . . 108 VAL H . 27661 1 216 . 1 1 140 140 VAL N N 15 129.258 0.05 . 1 . . . . . 108 VAL N . 27661 1 217 . 1 1 141 141 LYS H H 1 8.927 0.01 . 1 . . . . . 109 LYS H . 27661 1 218 . 1 1 141 141 LYS N N 15 128.606 0.05 . 1 . . . . . 109 LYS N . 27661 1 219 . 1 1 142 142 MET H H 1 8.677 0.01 . 1 . . . . . 110 MET H . 27661 1 220 . 1 1 142 142 MET N N 15 118.770 0.05 . 1 . . . . . 110 MET N . 27661 1 221 . 1 1 144 144 SER H H 1 9.049 0.01 . 1 . . . . . 111 SER H . 27661 1 222 . 1 1 144 144 SER N N 15 124.210 0.05 . 1 . . . . . 111 SER N . 27661 1 223 . 1 1 146 146 GLU H H 1 6.978 0.01 . 1 . . . . . 112 GLU H . 27661 1 224 . 1 1 146 146 GLU N N 15 121.424 0.05 . 1 . . . . . 112 GLU N . 27661 1 225 . 1 1 147 147 PHE H H 1 7.472 0.01 . 1 . . . . . 113 PHE H . 27661 1 226 . 1 1 147 147 PHE N N 15 118.976 0.05 . 1 . . . . . 113 PHE N . 27661 1 227 . 1 1 148 148 ALA H H 1 7.914 0.01 . 1 . . . . . 114 ALA H . 27661 1 228 . 1 1 148 148 ALA N N 15 118.029 0.05 . 1 . . . . . 114 ALA N . 27661 1 229 . 1 1 150 150 ILE H H 1 7.975 0.01 . 1 . . . . . 115 ILE H . 27661 1 230 . 1 1 150 150 ILE N N 15 119.491 0.05 . 1 . . . . . 115 ILE N . 27661 1 231 . 1 1 151 151 CYS H H 1 7.204 0.01 . 1 . . . . . 116 CYS H . 27661 1 232 . 1 1 151 151 CYS N N 15 113.977 0.05 . 1 . . . . . 116 CYS N . 27661 1 233 . 1 1 152 152 ARG H H 1 7.620 0.01 . 1 . . . . . 117 ARG H . 27661 1 234 . 1 1 152 152 ARG N N 15 120.836 0.05 . 1 . . . . . 117 ARG N . 27661 1 235 . 1 1 154 154 LEU H H 1 8.212 0.01 . 1 . . . . . 118 LEU H . 27661 1 236 . 1 1 154 154 LEU N N 15 114.846 0.05 . 1 . . . . . 118 LEU N . 27661 1 237 . 1 1 155 155 SER H H 1 7.371 0.01 . 1 . . . . . 119 SER H . 27661 1 238 . 1 1 155 155 SER N N 15 114.376 0.05 . 1 . . . . . 119 SER N . 27661 1 239 . 1 1 158 158 GLY H H 1 7.709 0.01 . 1 . . . . . 120 GLY H . 27661 1 240 . 1 1 158 158 GLY N N 15 103.696 0.05 . 1 . . . . . 120 GLY N . 27661 1 241 . 1 1 159 159 ASP H H 1 8.221 0.01 . 1 . . . . . 121 ASP H . 27661 1 242 . 1 1 159 159 ASP N N 15 113.634 0.05 . 1 . . . . . 121 ASP N . 27661 1 243 . 1 1 160 160 ALA H H 1 8.047 0.01 . 1 . . . . . 122 ALA H . 27661 1 244 . 1 1 160 160 ALA N N 15 125.003 0.05 . 1 . . . . . 122 ALA N . 27661 1 245 . 1 1 161 161 VAL H H 1 9.405 0.01 . 1 . . . . . 123 VAL H . 27661 1 246 . 1 1 161 161 VAL N N 15 119.796 0.05 . 1 . . . . . 123 VAL N . 27661 1 247 . 1 1 162 162 VAL H H 1 9.542 0.01 . 1 . . . . . 124 VAL H . 27661 1 248 . 1 1 162 162 VAL N N 15 128.658 0.05 . 1 . . . . . 124 VAL N . 27661 1 249 . 1 1 164 164 SER H H 1 9.017 0.01 . 1 . . . . . 125 SER H . 27661 1 250 . 1 1 164 164 SER N N 15 120.094 0.05 . 1 . . . . . 125 SER N . 27661 1 251 . 1 1 165 165 CYS H H 1 8.750 0.01 . 1 . . . . . 126 CYS H . 27661 1 252 . 1 1 165 165 CYS N N 15 124.328 0.05 . 1 . . . . . 126 CYS N . 27661 1 253 . 1 1 166 166 ALA H H 1 8.468 0.01 . 1 . . . . . 127 ALA H . 27661 1 254 . 1 1 166 166 ALA N N 15 129.225 0.05 . 1 . . . . . 127 ALA N . 27661 1 255 . 1 1 168 168 ASP H H 1 8.192 0.01 . 1 . . . . . 128 ASP H . 27661 1 256 . 1 1 168 168 ASP N N 15 111.619 0.05 . 1 . . . . . 128 ASP N . 27661 1 257 . 1 1 169 169 GLY H H 1 7.553 0.01 . 1 . . . . . 129 GLY H . 27661 1 258 . 1 1 169 169 GLY N N 15 107.810 0.05 . 1 . . . . . 129 GLY N . 27661 1 259 . 1 1 171 171 LYS H H 1 8.801 0.01 . 1 . . . . . 130 LYS H . 27661 1 260 . 1 1 171 171 LYS N N 15 128.112 0.05 . 1 . . . . . 130 LYS N . 27661 1 261 . 1 1 172 172 PHE H H 1 9.400 0.01 . 1 . . . . . 131 PHE H . 27661 1 262 . 1 1 172 172 PHE N N 15 123.583 0.05 . 1 . . . . . 131 PHE N . 27661 1 263 . 1 1 173 173 SER H H 1 9.190 0.01 . 1 . . . . . 132 SER H . 27661 1 264 . 1 1 173 173 SER N N 15 117.866 0.05 . 1 . . . . . 132 SER N . 27661 1 265 . 1 1 174 174 ALA H H 1 9.002 0.01 . 1 . . . . . 133 ALA H . 27661 1 266 . 1 1 174 174 ALA N N 15 123.306 0.05 . 1 . . . . . 133 ALA N . 27661 1 267 . 1 1 175 175 SER H H 1 8.906 0.01 . 1 . . . . . 134 SER H . 27661 1 268 . 1 1 175 175 SER N N 15 114.960 0.05 . 1 . . . . . 134 SER N . 27661 1 269 . 1 1 176 176 GLY H H 1 8.484 0.01 . 1 . . . . . 135 GLY H . 27661 1 270 . 1 1 176 176 GLY N N 15 111.255 0.05 . 1 . . . . . 135 GLY N . 27661 1 271 . 1 1 178 178 LEU H H 1 8.755 0.01 . 1 . . . . . 136 LEU H . 27661 1 272 . 1 1 178 178 LEU N N 15 115.493 0.05 . 1 . . . . . 136 LEU N . 27661 1 273 . 1 1 179 179 GLY H H 1 7.479 0.01 . 1 . . . . . 137 GLY H . 27661 1 274 . 1 1 179 179 GLY N N 15 105.294 0.05 . 1 . . . . . 137 GLY N . 27661 1 275 . 1 1 180 180 ASN H H 1 8.524 0.01 . 1 . . . . . 138 ASN H . 27661 1 276 . 1 1 180 180 ASN N N 15 116.248 0.05 . 1 . . . . . 138 ASN N . 27661 1 277 . 1 1 181 181 GLY H H 1 8.853 0.01 . 1 . . . . . 139 GLY H . 27661 1 278 . 1 1 181 181 GLY N N 15 106.207 0.05 . 1 . . . . . 139 GLY N . 27661 1 279 . 1 1 182 182 ASN H H 1 8.474 0.01 . 1 . . . . . 140 ASN H . 27661 1 280 . 1 1 182 182 ASN N N 15 119.149 0.05 . 1 . . . . . 140 ASN N . 27661 1 281 . 1 1 183 183 ILE H H 1 9.606 0.01 . 1 . . . . . 141 ILE H . 27661 1 282 . 1 1 183 183 ILE N N 15 123.471 0.05 . 1 . . . . . 141 ILE N . 27661 1 283 . 1 1 184 184 LYS H H 1 9.042 0.01 . 1 . . . . . 142 LYS H . 27661 1 284 . 1 1 184 184 LYS N N 15 127.577 0.05 . 1 . . . . . 142 LYS N . 27661 1 285 . 1 1 185 185 LEU H H 1 9.143 0.01 . 1 . . . . . 143 LEU H . 27661 1 286 . 1 1 185 185 LEU N N 15 126.775 0.05 . 1 . . . . . 143 LEU N . 27661 1 287 . 1 1 186 186 SER H H 1 8.031 0.01 . 1 . . . . . 144 SER H . 27661 1 288 . 1 1 186 186 SER N N 15 117.639 0.05 . 1 . . . . . 144 SER N . 27661 1 289 . 1 1 187 187 GLN H H 1 8.182 0.01 . 1 . . . . . 145 GLN H . 27661 1 290 . 1 1 187 187 GLN N N 15 120.864 0.05 . 1 . . . . . 145 GLN N . 27661 1 291 . 1 1 188 188 THR H H 1 8.849 0.01 . 1 . . . . . 146 THR H . 27661 1 292 . 1 1 188 188 THR N N 15 119.803 0.05 . 1 . . . . . 146 THR N . 27661 1 293 . 1 1 191 191 VAL H H 1 8.054 0.01 . 1 . . . . . 147 VAL H . 27661 1 294 . 1 1 191 191 VAL N N 15 119.036 0.05 . 1 . . . . . 147 VAL N . 27661 1 295 . 1 1 192 192 ASP H H 1 8.443 0.01 . 1 . . . . . 148 ASP H . 27661 1 296 . 1 1 192 192 ASP N N 15 122.931 0.05 . 1 . . . . . 148 ASP N . 27661 1 297 . 1 1 193 193 LYS H H 1 7.715 0.01 . 1 . . . . . 149 LYS H . 27661 1 298 . 1 1 193 193 LYS N N 15 119.171 0.05 . 1 . . . . . 149 LYS N . 27661 1 299 . 1 1 194 194 GLU H H 1 8.728 0.01 . 1 . . . . . 150 GLU H . 27661 1 300 . 1 1 194 194 GLU N N 15 124.847 0.05 . 1 . . . . . 150 GLU N . 27661 1 301 . 1 1 195 195 GLU H H 1 9.136 0.01 . 1 . . . . . 151 GLU H . 27661 1 302 . 1 1 195 195 GLU N N 15 116.766 0.05 . 1 . . . . . 151 GLU N . 27661 1 303 . 1 1 196 196 GLU H H 1 7.810 0.01 . 1 . . . . . 152 GLU H . 27661 1 304 . 1 1 196 196 GLU N N 15 117.609 0.05 . 1 . . . . . 152 GLU N . 27661 1 305 . 1 1 197 197 ALA H H 1 7.381 0.01 . 1 . . . . . 153 ALA H . 27661 1 306 . 1 1 197 197 ALA N N 15 122.373 0.05 . 1 . . . . . 153 ALA N . 27661 1 307 . 1 1 198 198 VAL H H 1 8.476 0.01 . 1 . . . . . 154 VAL H . 27661 1 308 . 1 1 198 198 VAL N N 15 121.335 0.05 . 1 . . . . . 154 VAL N . 27661 1 309 . 1 1 199 199 THR H H 1 9.076 0.01 . 1 . . . . . 155 THR H . 27661 1 310 . 1 1 199 199 THR N N 15 119.728 0.05 . 1 . . . . . 155 THR N . 27661 1 311 . 1 1 200 200 ILE H H 1 8.607 0.01 . 1 . . . . . 156 ILE H . 27661 1 312 . 1 1 200 200 ILE N N 15 124.468 0.05 . 1 . . . . . 156 ILE N . 27661 1 313 . 1 1 201 201 GLU H H 1 8.955 0.01 . 1 . . . . . 157 GLU H . 27661 1 314 . 1 1 201 201 GLU N N 15 129.378 0.05 . 1 . . . . . 157 GLU N . 27661 1 315 . 1 1 202 202 MET H H 1 8.830 0.01 . 1 . . . . . 158 MET H . 27661 1 316 . 1 1 202 202 MET N N 15 125.297 0.05 . 1 . . . . . 158 MET N . 27661 1 317 . 1 1 203 203 ASN H H 1 9.089 0.01 . 1 . . . . . 159 ASN H . 27661 1 318 . 1 1 203 203 ASN N N 15 122.450 0.05 . 1 . . . . . 159 ASN N . 27661 1 319 . 1 1 204 204 GLU H H 1 7.525 0.01 . 1 . . . . . 160 GLU H . 27661 1 320 . 1 1 204 204 GLU N N 15 118.190 0.05 . 1 . . . . . 160 GLU N . 27661 1 321 . 1 1 206 206 VAL H H 1 7.278 0.01 . 1 . . . . . 161 VAL H . 27661 1 322 . 1 1 206 206 VAL N N 15 115.677 0.05 . 1 . . . . . 161 VAL N . 27661 1 323 . 1 1 207 207 GLN H H 1 8.277 0.01 . 1 . . . . . 162 GLN H . 27661 1 324 . 1 1 207 207 GLN N N 15 124.292 0.05 . 1 . . . . . 162 GLN N . 27661 1 325 . 1 1 208 208 LEU H H 1 8.669 0.01 . 1 . . . . . 163 LEU H . 27661 1 326 . 1 1 208 208 LEU N N 15 127.268 0.05 . 1 . . . . . 163 LEU N . 27661 1 327 . 1 1 209 209 THR H H 1 7.942 0.01 . 1 . . . . . 164 THR H . 27661 1 328 . 1 1 209 209 THR N N 15 116.189 0.05 . 1 . . . . . 164 THR N . 27661 1 329 . 1 1 210 210 PHE H H 1 9.208 0.01 . 1 . . . . . 165 PHE H . 27661 1 330 . 1 1 210 210 PHE N N 15 120.291 0.05 . 1 . . . . . 165 PHE N . 27661 1 331 . 1 1 214 214 TYR H H 1 6.358 0.01 . 1 . . . . . 166 TYR H . 27661 1 332 . 1 1 214 214 TYR N N 15 112.372 0.05 . 1 . . . . . 166 TYR N . 27661 1 333 . 1 1 215 215 LEU H H 1 6.567 0.01 . 1 . . . . . 167 LEU H . 27661 1 334 . 1 1 215 215 LEU N N 15 116.851 0.05 . 1 . . . . . 167 LEU N . 27661 1 335 . 1 1 216 216 ASN H H 1 7.660 0.01 . 1 . . . . . 168 ASN H . 27661 1 336 . 1 1 216 216 ASN N N 15 111.342 0.05 . 1 . . . . . 168 ASN N . 27661 1 337 . 1 1 217 217 PHE H H 1 7.159 0.01 . 1 . . . . . 169 PHE H . 27661 1 338 . 1 1 217 217 PHE N N 15 118.041 0.05 . 1 . . . . . 169 PHE N . 27661 1 339 . 1 1 218 218 PHE H H 1 7.888 0.01 . 1 . . . . . 170 PHE H . 27661 1 340 . 1 1 218 218 PHE N N 15 122.467 0.05 . 1 . . . . . 170 PHE N . 27661 1 341 . 1 1 219 219 THR H H 1 7.822 0.01 . 1 . . . . . 171 THR H . 27661 1 342 . 1 1 219 219 THR N N 15 102.365 0.05 . 1 . . . . . 171 THR N . 27661 1 343 . 1 1 220 220 LYS H H 1 7.865 0.01 . 1 . . . . . 172 LYS H . 27661 1 344 . 1 1 220 220 LYS N N 15 125.837 0.05 . 1 . . . . . 172 LYS N . 27661 1 345 . 1 1 221 221 ALA H H 1 8.053 0.01 . 1 . . . . . 173 ALA H . 27661 1 346 . 1 1 221 221 ALA N N 15 119.712 0.05 . 1 . . . . . 173 ALA N . 27661 1 347 . 1 1 224 224 LEU H H 1 8.399 0.01 . 1 . . . . . 174 LEU H . 27661 1 348 . 1 1 224 224 LEU N N 15 115.671 0.05 . 1 . . . . . 174 LEU N . 27661 1 349 . 1 1 225 225 SER H H 1 7.490 0.01 . 1 . . . . . 175 SER H . 27661 1 350 . 1 1 225 225 SER N N 15 108.617 0.05 . 1 . . . . . 175 SER N . 27661 1 351 . 1 1 227 227 THR H H 1 8.028 0.01 . 1 . . . . . 176 THR H . 27661 1 352 . 1 1 227 227 THR N N 15 114.626 0.05 . 1 . . . . . 176 THR N . 27661 1 353 . 1 1 228 228 VAL H H 1 9.176 0.01 . 1 . . . . . 177 VAL H . 27661 1 354 . 1 1 228 228 VAL N N 15 123.206 0.05 . 1 . . . . . 177 VAL N . 27661 1 355 . 1 1 230 230 LEU H H 1 9.555 0.01 . 1 . . . . . 178 LEU H . 27661 1 356 . 1 1 230 230 LEU N N 15 127.847 0.05 . 1 . . . . . 178 LEU N . 27661 1 357 . 1 1 233 233 SER H H 1 9.391 0.01 . 1 . . . . . 179 SER H . 27661 1 358 . 1 1 233 233 SER N N 15 118.001 0.05 . 1 . . . . . 179 SER N . 27661 1 359 . 1 1 234 234 ALA H H 1 8.933 0.01 . 1 . . . . . 180 ALA H . 27661 1 360 . 1 1 234 234 ALA N N 15 123.215 0.05 . 1 . . . . . 180 ALA N . 27661 1 361 . 1 1 235 235 ASP H H 1 8.143 0.01 . 1 . . . . . 181 ASP H . 27661 1 362 . 1 1 235 235 ASP N N 15 113.750 0.05 . 1 . . . . . 181 ASP N . 27661 1 363 . 1 1 236 236 VAL H H 1 7.466 0.01 . 1 . . . . . 182 VAL H . 27661 1 364 . 1 1 236 236 VAL N N 15 114.813 0.05 . 1 . . . . . 182 VAL N . 27661 1 365 . 1 1 238 238 LEU H H 1 8.456 0.01 . 1 . . . . . 183 LEU H . 27661 1 366 . 1 1 238 238 LEU N N 15 127.409 0.05 . 1 . . . . . 183 LEU N . 27661 1 367 . 1 1 239 239 VAL H H 1 7.935 0.01 . 1 . . . . . 184 VAL H . 27661 1 368 . 1 1 239 239 VAL N N 15 122.140 0.05 . 1 . . . . . 184 VAL N . 27661 1 369 . 1 1 240 240 VAL H H 1 9.203 0.01 . 1 . . . . . 185 VAL H . 27661 1 370 . 1 1 240 240 VAL N N 15 129.068 0.05 . 1 . . . . . 185 VAL N . 27661 1 371 . 1 1 241 241 GLU H H 1 8.728 0.01 . 1 . . . . . 186 GLU H . 27661 1 372 . 1 1 241 241 GLU N N 15 125.772 0.05 . 1 . . . . . 186 GLU N . 27661 1 373 . 1 1 242 242 TYR H H 1 9.227 0.01 . 1 . . . . . 187 TYR H . 27661 1 374 . 1 1 242 242 TYR N N 15 126.826 0.05 . 1 . . . . . 187 TYR N . 27661 1 375 . 1 1 243 243 LYS H H 1 8.624 0.01 . 1 . . . . . 188 LYS H . 27661 1 376 . 1 1 243 243 LYS N N 15 124.102 0.05 . 1 . . . . . 188 LYS N . 27661 1 377 . 1 1 244 244 ILE H H 1 7.971 0.01 . 1 . . . . . 189 ILE H . 27661 1 378 . 1 1 244 244 ILE N N 15 123.231 0.05 . 1 . . . . . 189 ILE N . 27661 1 379 . 1 1 245 245 ALA H H 1 8.906 0.01 . 1 . . . . . 190 ALA H . 27661 1 380 . 1 1 245 245 ALA N N 15 130.197 0.05 . 1 . . . . . 190 ALA N . 27661 1 381 . 1 1 247 247 MET H H 1 8.696 0.01 . 1 . . . . . 191 MET H . 27661 1 382 . 1 1 247 247 MET N N 15 115.986 0.05 . 1 . . . . . 191 MET N . 27661 1 383 . 1 1 250 250 LEU H H 1 9.002 0.01 . 1 . . . . . 192 LEU H . 27661 1 384 . 1 1 250 250 LEU N N 15 122.447 0.05 . 1 . . . . . 192 LEU N . 27661 1 385 . 1 1 253 253 TYR H H 1 9.434 0.01 . 1 . . . . . 193 TYR H . 27661 1 386 . 1 1 253 253 TYR N N 15 119.096 0.05 . 1 . . . . . 193 TYR N . 27661 1 387 . 1 1 254 254 LEU H H 1 8.956 0.01 . 1 . . . . . 194 LEU H . 27661 1 388 . 1 1 254 254 LEU N N 15 122.059 0.05 . 1 . . . . . 194 LEU N . 27661 1 389 . 1 1 255 255 ALA H H 1 8.814 0.01 . 1 . . . . . 195 ALA H . 27661 1 390 . 1 1 255 255 ALA N N 15 130.718 0.05 . 1 . . . . . 195 ALA N . 27661 1 391 . 1 1 257 257 LYS H H 1 8.367 0.01 . 1 . . . . . 196 LYS H . 27661 1 392 . 1 1 257 257 LYS N N 15 121.578 0.05 . 1 . . . . . 196 LYS N . 27661 1 393 . 1 1 258 258 ILE H H 1 8.301 0.01 . 1 . . . . . 197 ILE H . 27661 1 394 . 1 1 258 258 ILE N N 15 125.357 0.05 . 1 . . . . . 197 ILE N . 27661 1 395 . 1 1 259 259 GLU H H 1 8.513 0.01 . 1 . . . . . 198 GLU H . 27661 1 396 . 1 1 259 259 GLU N N 15 125.333 0.05 . 1 . . . . . 198 GLU N . 27661 1 397 . 1 1 260 260 ASP H H 1 8.321 0.01 . 1 . . . . . 199 ASP H . 27661 1 398 . 1 1 260 260 ASP N N 15 121.346 0.05 . 1 . . . . . 199 ASP N . 27661 1 399 . 1 1 261 261 GLU H H 1 8.344 0.01 . 1 . . . . . 200 GLU H . 27661 1 400 . 1 1 261 261 GLU N N 15 120.966 0.05 . 1 . . . . . 200 GLU N . 27661 1 401 . 1 1 263 263 GLY H H 1 8.375 0.01 . 1 . . . . . 201 GLY H . 27661 1 402 . 1 1 263 263 GLY N N 15 110.346 0.05 . 1 . . . . . 201 GLY N . 27661 1 403 . 1 1 264 264 SER H H 1 7.833 0.01 . 1 . . . . . 202 SER H . 27661 1 404 . 1 1 264 264 SER N N 15 121.151 0.05 . 1 . . . . . 202 SER N . 27661 1 stop_ save_