data_25551 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25551 _Entry.Title ; Backbone amide chemical shift assignments of the CN-bound yeast cytochrome c peroxidase covalently cross-linked to yeast iso-1 cytochrome c ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-24 _Entry.Accession_date 2015-04-03 _Entry.Last_release_date 2015-05-08 _Entry.Original_release_date 2015-05-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexander Volkov . . . 25551 2 Karen 'Van de Water' . . . 25551 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25551 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cytochrome c' . 25551 'cytochrome c peroxidase' . 25551 'low-affinity complex' . 25551 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25551 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 229 25551 '1H chemical shifts' 229 25551 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 . . 2016-01-20 2015-03-24 update BMRB 'update entry citation' 25551 1 . . 2015-05-08 2015-03-24 original author 'original release' 25551 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N18 'BMRB Entry Tracking System' 25551 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25551 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25944250 _Citation.Full_citation . _Citation.Title ; The low-affinity complex of cytochrome c and its peroxidase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 7073 _Citation.Page_last 7073 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Karen 'Van de Water' . . . 25551 1 2 Yann Sterckx . G.J. . 25551 1 3 Alexander Volkov . N. . 25551 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25551 _Assembly.ID 1 _Assembly.Name 'Covalent, disulfide crosslink of V197C/C128A yeast cytochrome c peroxidase and A81C/C102T yeast iso-1 cytochrome c' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $CcP A . yes native no no . . . 25551 1 2 entity_2 2 $Cc B . no native no no . . . 25551 1 3 entity_3 3 $Cc1 C . no native no no . . . 25551 1 4 HEM 4 $entity_HEM D . no native no no . . . 25551 1 5 HEC_1 5 $entity_HEC E . no native no no . . . 25551 1 6 HEC_2 5 $entity_HEC F . no native no no . . . 25551 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity_1 1 CYS 197 197 SG . 2 entity_2 2 CYS 86 86 SG . . 197 CYS . . . 86 CYS . 25551 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 197 197 HG . 197 . . 25551 1 2 . 2 2 CYS 86 86 HG . 86 . . 25551 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CcP _Entity.Sf_category entity _Entity.Sf_framecode CcP _Entity.Entry_ID 25551 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CcP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TTPLVHVASVEKGRSYEDFQ KVYNAIALKLREDDEYDNYI GYGPVLVRLAWHTSGTWDKH DNTGGSYGGTYRFKKEFNDP SNAGLQNGFKFLEPIHKEFP WISSGDLFSLGGVTAVQEMQ GPKIPWRAGRVDTPEDTTPD NGRLPDADKDADYVRTFFQR LNMNDREVVALMGAHALGKT HLKNSGYEGPWGAANNCFTN EFYLNLLNEDWKLEKNDANN EQWDSKSGYMMLPTDYSLIQ DPKYLSIVKEYANDQDKFFK DFSKAFEKLLENGITFPKDA PSPFIFKTLEEQGL ; _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 294 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33543.504 _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 THR . 25551 1 2 2 THR . 25551 1 3 3 PRO . 25551 1 4 4 LEU . 25551 1 5 5 VAL . 25551 1 6 6 HIS . 25551 1 7 7 VAL . 25551 1 8 8 ALA . 25551 1 9 9 SER . 25551 1 10 10 VAL . 25551 1 11 11 GLU . 25551 1 12 12 LYS . 25551 1 13 13 GLY . 25551 1 14 14 ARG . 25551 1 15 15 SER . 25551 1 16 16 TYR . 25551 1 17 17 GLU . 25551 1 18 18 ASP . 25551 1 19 19 PHE . 25551 1 20 20 GLN . 25551 1 21 21 LYS . 25551 1 22 22 VAL . 25551 1 23 23 TYR . 25551 1 24 24 ASN . 25551 1 25 25 ALA . 25551 1 26 26 ILE . 25551 1 27 27 ALA . 25551 1 28 28 LEU . 25551 1 29 29 LYS . 25551 1 30 30 LEU . 25551 1 31 31 ARG . 25551 1 32 32 GLU . 25551 1 33 33 ASP . 25551 1 34 34 ASP . 25551 1 35 35 GLU . 25551 1 36 36 TYR . 25551 1 37 37 ASP . 25551 1 38 38 ASN . 25551 1 39 39 TYR . 25551 1 40 40 ILE . 25551 1 41 41 GLY . 25551 1 42 42 TYR . 25551 1 43 43 GLY . 25551 1 44 44 PRO . 25551 1 45 45 VAL . 25551 1 46 46 LEU . 25551 1 47 47 VAL . 25551 1 48 48 ARG . 25551 1 49 49 LEU . 25551 1 50 50 ALA . 25551 1 51 51 TRP . 25551 1 52 52 HIS . 25551 1 53 53 THR . 25551 1 54 54 SER . 25551 1 55 55 GLY . 25551 1 56 56 THR . 25551 1 57 57 TRP . 25551 1 58 58 ASP . 25551 1 59 59 LYS . 25551 1 60 60 HIS . 25551 1 61 61 ASP . 25551 1 62 62 ASN . 25551 1 63 63 THR . 25551 1 64 64 GLY . 25551 1 65 65 GLY . 25551 1 66 66 SER . 25551 1 67 67 TYR . 25551 1 68 68 GLY . 25551 1 69 69 GLY . 25551 1 70 70 THR . 25551 1 71 71 TYR . 25551 1 72 72 ARG . 25551 1 73 73 PHE . 25551 1 74 74 LYS . 25551 1 75 75 LYS . 25551 1 76 76 GLU . 25551 1 77 77 PHE . 25551 1 78 78 ASN . 25551 1 79 79 ASP . 25551 1 80 80 PRO . 25551 1 81 81 SER . 25551 1 82 82 ASN . 25551 1 83 83 ALA . 25551 1 84 84 GLY . 25551 1 85 85 LEU . 25551 1 86 86 GLN . 25551 1 87 87 ASN . 25551 1 88 88 GLY . 25551 1 89 89 PHE . 25551 1 90 90 LYS . 25551 1 91 91 PHE . 25551 1 92 92 LEU . 25551 1 93 93 GLU . 25551 1 94 94 PRO . 25551 1 95 95 ILE . 25551 1 96 96 HIS . 25551 1 97 97 LYS . 25551 1 98 98 GLU . 25551 1 99 99 PHE . 25551 1 100 100 PRO . 25551 1 101 101 TRP . 25551 1 102 102 ILE . 25551 1 103 103 SER . 25551 1 104 104 SER . 25551 1 105 105 GLY . 25551 1 106 106 ASP . 25551 1 107 107 LEU . 25551 1 108 108 PHE . 25551 1 109 109 SER . 25551 1 110 110 LEU . 25551 1 111 111 GLY . 25551 1 112 112 GLY . 25551 1 113 113 VAL . 25551 1 114 114 THR . 25551 1 115 115 ALA . 25551 1 116 116 VAL . 25551 1 117 117 GLN . 25551 1 118 118 GLU . 25551 1 119 119 MET . 25551 1 120 120 GLN . 25551 1 121 121 GLY . 25551 1 122 122 PRO . 25551 1 123 123 LYS . 25551 1 124 124 ILE . 25551 1 125 125 PRO . 25551 1 126 126 TRP . 25551 1 127 127 ARG . 25551 1 128 128 ALA . 25551 1 129 129 GLY . 25551 1 130 130 ARG . 25551 1 131 131 VAL . 25551 1 132 132 ASP . 25551 1 133 133 THR . 25551 1 134 134 PRO . 25551 1 135 135 GLU . 25551 1 136 136 ASP . 25551 1 137 137 THR . 25551 1 138 138 THR . 25551 1 139 139 PRO . 25551 1 140 140 ASP . 25551 1 141 141 ASN . 25551 1 142 142 GLY . 25551 1 143 143 ARG . 25551 1 144 144 LEU . 25551 1 145 145 PRO . 25551 1 146 146 ASP . 25551 1 147 147 ALA . 25551 1 148 148 ASP . 25551 1 149 149 LYS . 25551 1 150 150 ASP . 25551 1 151 151 ALA . 25551 1 152 152 ASP . 25551 1 153 153 TYR . 25551 1 154 154 VAL . 25551 1 155 155 ARG . 25551 1 156 156 THR . 25551 1 157 157 PHE . 25551 1 158 158 PHE . 25551 1 159 159 GLN . 25551 1 160 160 ARG . 25551 1 161 161 LEU . 25551 1 162 162 ASN . 25551 1 163 163 MET . 25551 1 164 164 ASN . 25551 1 165 165 ASP . 25551 1 166 166 ARG . 25551 1 167 167 GLU . 25551 1 168 168 VAL . 25551 1 169 169 VAL . 25551 1 170 170 ALA . 25551 1 171 171 LEU . 25551 1 172 172 MET . 25551 1 173 173 GLY . 25551 1 174 174 ALA . 25551 1 175 175 HIS . 25551 1 176 176 ALA . 25551 1 177 177 LEU . 25551 1 178 178 GLY . 25551 1 179 179 LYS . 25551 1 180 180 THR . 25551 1 181 181 HIS . 25551 1 182 182 LEU . 25551 1 183 183 LYS . 25551 1 184 184 ASN . 25551 1 185 185 SER . 25551 1 186 186 GLY . 25551 1 187 187 TYR . 25551 1 188 188 GLU . 25551 1 189 189 GLY . 25551 1 190 190 PRO . 25551 1 191 191 TRP . 25551 1 192 192 GLY . 25551 1 193 193 ALA . 25551 1 194 194 ALA . 25551 1 195 195 ASN . 25551 1 196 196 ASN . 25551 1 197 197 CYS . 25551 1 198 198 PHE . 25551 1 199 199 THR . 25551 1 200 200 ASN . 25551 1 201 201 GLU . 25551 1 202 202 PHE . 25551 1 203 203 TYR . 25551 1 204 204 LEU . 25551 1 205 205 ASN . 25551 1 206 206 LEU . 25551 1 207 207 LEU . 25551 1 208 208 ASN . 25551 1 209 209 GLU . 25551 1 210 210 ASP . 25551 1 211 211 TRP . 25551 1 212 212 LYS . 25551 1 213 213 LEU . 25551 1 214 214 GLU . 25551 1 215 215 LYS . 25551 1 216 216 ASN . 25551 1 217 217 ASP . 25551 1 218 218 ALA . 25551 1 219 219 ASN . 25551 1 220 220 ASN . 25551 1 221 221 GLU . 25551 1 222 222 GLN . 25551 1 223 223 TRP . 25551 1 224 224 ASP . 25551 1 225 225 SER . 25551 1 226 226 LYS . 25551 1 227 227 SER . 25551 1 228 228 GLY . 25551 1 229 229 TYR . 25551 1 230 230 MET . 25551 1 231 231 MET . 25551 1 232 232 LEU . 25551 1 233 233 PRO . 25551 1 234 234 THR . 25551 1 235 235 ASP . 25551 1 236 236 TYR . 25551 1 237 237 SER . 25551 1 238 238 LEU . 25551 1 239 239 ILE . 25551 1 240 240 GLN . 25551 1 241 241 ASP . 25551 1 242 242 PRO . 25551 1 243 243 LYS . 25551 1 244 244 TYR . 25551 1 245 245 LEU . 25551 1 246 246 SER . 25551 1 247 247 ILE . 25551 1 248 248 VAL . 25551 1 249 249 LYS . 25551 1 250 250 GLU . 25551 1 251 251 TYR . 25551 1 252 252 ALA . 25551 1 253 253 ASN . 25551 1 254 254 ASP . 25551 1 255 255 GLN . 25551 1 256 256 ASP . 25551 1 257 257 LYS . 25551 1 258 258 PHE . 25551 1 259 259 PHE . 25551 1 260 260 LYS . 25551 1 261 261 ASP . 25551 1 262 262 PHE . 25551 1 263 263 SER . 25551 1 264 264 LYS . 25551 1 265 265 ALA . 25551 1 266 266 PHE . 25551 1 267 267 GLU . 25551 1 268 268 LYS . 25551 1 269 269 LEU . 25551 1 270 270 LEU . 25551 1 271 271 GLU . 25551 1 272 272 ASN . 25551 1 273 273 GLY . 25551 1 274 274 ILE . 25551 1 275 275 THR . 25551 1 276 276 PHE . 25551 1 277 277 PRO . 25551 1 278 278 LYS . 25551 1 279 279 ASP . 25551 1 280 280 ALA . 25551 1 281 281 PRO . 25551 1 282 282 SER . 25551 1 283 283 PRO . 25551 1 284 284 PHE . 25551 1 285 285 ILE . 25551 1 286 286 PHE . 25551 1 287 287 LYS . 25551 1 288 288 THR . 25551 1 289 289 LEU . 25551 1 290 290 GLU . 25551 1 291 291 GLU . 25551 1 292 292 GLN . 25551 1 293 293 GLY . 25551 1 294 294 LEU . 25551 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 . THR 1 1 25551 1 . THR 2 2 25551 1 . PRO 3 3 25551 1 . LEU 4 4 25551 1 . VAL 5 5 25551 1 . HIS 6 6 25551 1 . VAL 7 7 25551 1 . ALA 8 8 25551 1 . SER 9 9 25551 1 . VAL 10 10 25551 1 . GLU 11 11 25551 1 . LYS 12 12 25551 1 . GLY 13 13 25551 1 . ARG 14 14 25551 1 . SER 15 15 25551 1 . TYR 16 16 25551 1 . GLU 17 17 25551 1 . ASP 18 18 25551 1 . PHE 19 19 25551 1 . GLN 20 20 25551 1 . LYS 21 21 25551 1 . VAL 22 22 25551 1 . TYR 23 23 25551 1 . ASN 24 24 25551 1 . ALA 25 25 25551 1 . ILE 26 26 25551 1 . ALA 27 27 25551 1 . LEU 28 28 25551 1 . LYS 29 29 25551 1 . LEU 30 30 25551 1 . ARG 31 31 25551 1 . GLU 32 32 25551 1 . ASP 33 33 25551 1 . ASP 34 34 25551 1 . GLU 35 35 25551 1 . TYR 36 36 25551 1 . ASP 37 37 25551 1 . ASN 38 38 25551 1 . TYR 39 39 25551 1 . ILE 40 40 25551 1 . GLY 41 41 25551 1 . TYR 42 42 25551 1 . GLY 43 43 25551 1 . PRO 44 44 25551 1 . VAL 45 45 25551 1 . LEU 46 46 25551 1 . VAL 47 47 25551 1 . ARG 48 48 25551 1 . LEU 49 49 25551 1 . ALA 50 50 25551 1 . TRP 51 51 25551 1 . HIS 52 52 25551 1 . THR 53 53 25551 1 . SER 54 54 25551 1 . GLY 55 55 25551 1 . THR 56 56 25551 1 . TRP 57 57 25551 1 . ASP 58 58 25551 1 . LYS 59 59 25551 1 . HIS 60 60 25551 1 . ASP 61 61 25551 1 . ASN 62 62 25551 1 . THR 63 63 25551 1 . GLY 64 64 25551 1 . GLY 65 65 25551 1 . SER 66 66 25551 1 . TYR 67 67 25551 1 . GLY 68 68 25551 1 . GLY 69 69 25551 1 . THR 70 70 25551 1 . TYR 71 71 25551 1 . ARG 72 72 25551 1 . PHE 73 73 25551 1 . LYS 74 74 25551 1 . LYS 75 75 25551 1 . GLU 76 76 25551 1 . PHE 77 77 25551 1 . ASN 78 78 25551 1 . ASP 79 79 25551 1 . PRO 80 80 25551 1 . SER 81 81 25551 1 . ASN 82 82 25551 1 . ALA 83 83 25551 1 . GLY 84 84 25551 1 . LEU 85 85 25551 1 . GLN 86 86 25551 1 . ASN 87 87 25551 1 . GLY 88 88 25551 1 . PHE 89 89 25551 1 . LYS 90 90 25551 1 . PHE 91 91 25551 1 . LEU 92 92 25551 1 . GLU 93 93 25551 1 . PRO 94 94 25551 1 . ILE 95 95 25551 1 . HIS 96 96 25551 1 . LYS 97 97 25551 1 . GLU 98 98 25551 1 . PHE 99 99 25551 1 . PRO 100 100 25551 1 . TRP 101 101 25551 1 . ILE 102 102 25551 1 . SER 103 103 25551 1 . SER 104 104 25551 1 . GLY 105 105 25551 1 . ASP 106 106 25551 1 . LEU 107 107 25551 1 . PHE 108 108 25551 1 . SER 109 109 25551 1 . LEU 110 110 25551 1 . GLY 111 111 25551 1 . GLY 112 112 25551 1 . VAL 113 113 25551 1 . THR 114 114 25551 1 . ALA 115 115 25551 1 . VAL 116 116 25551 1 . GLN 117 117 25551 1 . GLU 118 118 25551 1 . MET 119 119 25551 1 . GLN 120 120 25551 1 . GLY 121 121 25551 1 . PRO 122 122 25551 1 . LYS 123 123 25551 1 . ILE 124 124 25551 1 . PRO 125 125 25551 1 . TRP 126 126 25551 1 . ARG 127 127 25551 1 . ALA 128 128 25551 1 . GLY 129 129 25551 1 . ARG 130 130 25551 1 . VAL 131 131 25551 1 . ASP 132 132 25551 1 . THR 133 133 25551 1 . PRO 134 134 25551 1 . GLU 135 135 25551 1 . ASP 136 136 25551 1 . THR 137 137 25551 1 . THR 138 138 25551 1 . PRO 139 139 25551 1 . ASP 140 140 25551 1 . ASN 141 141 25551 1 . GLY 142 142 25551 1 . ARG 143 143 25551 1 . LEU 144 144 25551 1 . PRO 145 145 25551 1 . ASP 146 146 25551 1 . ALA 147 147 25551 1 . ASP 148 148 25551 1 . LYS 149 149 25551 1 . ASP 150 150 25551 1 . ALA 151 151 25551 1 . ASP 152 152 25551 1 . TYR 153 153 25551 1 . VAL 154 154 25551 1 . ARG 155 155 25551 1 . THR 156 156 25551 1 . PHE 157 157 25551 1 . PHE 158 158 25551 1 . GLN 159 159 25551 1 . ARG 160 160 25551 1 . LEU 161 161 25551 1 . ASN 162 162 25551 1 . MET 163 163 25551 1 . ASN 164 164 25551 1 . ASP 165 165 25551 1 . ARG 166 166 25551 1 . GLU 167 167 25551 1 . VAL 168 168 25551 1 . VAL 169 169 25551 1 . ALA 170 170 25551 1 . LEU 171 171 25551 1 . MET 172 172 25551 1 . GLY 173 173 25551 1 . ALA 174 174 25551 1 . HIS 175 175 25551 1 . ALA 176 176 25551 1 . LEU 177 177 25551 1 . GLY 178 178 25551 1 . LYS 179 179 25551 1 . THR 180 180 25551 1 . HIS 181 181 25551 1 . LEU 182 182 25551 1 . LYS 183 183 25551 1 . ASN 184 184 25551 1 . SER 185 185 25551 1 . GLY 186 186 25551 1 . TYR 187 187 25551 1 . GLU 188 188 25551 1 . GLY 189 189 25551 1 . PRO 190 190 25551 1 . TRP 191 191 25551 1 . GLY 192 192 25551 1 . ALA 193 193 25551 1 . ALA 194 194 25551 1 . ASN 195 195 25551 1 . ASN 196 196 25551 1 . CYS 197 197 25551 1 . PHE 198 198 25551 1 . THR 199 199 25551 1 . ASN 200 200 25551 1 . GLU 201 201 25551 1 . PHE 202 202 25551 1 . TYR 203 203 25551 1 . LEU 204 204 25551 1 . ASN 205 205 25551 1 . LEU 206 206 25551 1 . LEU 207 207 25551 1 . ASN 208 208 25551 1 . GLU 209 209 25551 1 . ASP 210 210 25551 1 . TRP 211 211 25551 1 . LYS 212 212 25551 1 . LEU 213 213 25551 1 . GLU 214 214 25551 1 . LYS 215 215 25551 1 . ASN 216 216 25551 1 . ASP 217 217 25551 1 . ALA 218 218 25551 1 . ASN 219 219 25551 1 . ASN 220 220 25551 1 . GLU 221 221 25551 1 . GLN 222 222 25551 1 . TRP 223 223 25551 1 . ASP 224 224 25551 1 . SER 225 225 25551 1 . LYS 226 226 25551 1 . SER 227 227 25551 1 . GLY 228 228 25551 1 . TYR 229 229 25551 1 . MET 230 230 25551 1 . MET 231 231 25551 1 . LEU 232 232 25551 1 . PRO 233 233 25551 1 . THR 234 234 25551 1 . ASP 235 235 25551 1 . TYR 236 236 25551 1 . SER 237 237 25551 1 . LEU 238 238 25551 1 . ILE 239 239 25551 1 . GLN 240 240 25551 1 . ASP 241 241 25551 1 . PRO 242 242 25551 1 . LYS 243 243 25551 1 . TYR 244 244 25551 1 . LEU 245 245 25551 1 . SER 246 246 25551 1 . ILE 247 247 25551 1 . VAL 248 248 25551 1 . LYS 249 249 25551 1 . GLU 250 250 25551 1 . TYR 251 251 25551 1 . ALA 252 252 25551 1 . ASN 253 253 25551 1 . ASP 254 254 25551 1 . GLN 255 255 25551 1 . ASP 256 256 25551 1 . LYS 257 257 25551 1 . PHE 258 258 25551 1 . PHE 259 259 25551 1 . LYS 260 260 25551 1 . ASP 261 261 25551 1 . PHE 262 262 25551 1 . SER 263 263 25551 1 . LYS 264 264 25551 1 . ALA 265 265 25551 1 . PHE 266 266 25551 1 . GLU 267 267 25551 1 . LYS 268 268 25551 1 . LEU 269 269 25551 1 . LEU 270 270 25551 1 . GLU 271 271 25551 1 . ASN 272 272 25551 1 . GLY 273 273 25551 1 . ILE 274 274 25551 1 . THR 275 275 25551 1 . PHE 276 276 25551 1 . PRO 277 277 25551 1 . LYS 278 278 25551 1 . ASP 279 279 25551 1 . ALA 280 280 25551 1 . PRO 281 281 25551 1 . SER 282 282 25551 1 . PRO 283 283 25551 1 . PHE 284 284 25551 1 . ILE 285 285 25551 1 . PHE 286 286 25551 1 . LYS 287 287 25551 1 . THR 288 288 25551 1 . LEU 289 289 25551 1 . GLU 290 290 25551 1 . GLU 291 291 25551 1 . GLN 292 292 25551 1 . GLY 293 293 25551 1 . LEU 294 294 25551 1 stop_ save_ save_Cc _Entity.Sf_category entity _Entity.Sf_framecode Cc _Entity.Entry_ID 25551 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Cc _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AEFKAGSAKKGATLFKTRCL QCHTVEKGGPHKVGPNLHGI FGRHSGQAEGYSYTDANIKK NVLWDENNMSEYLTNPKKYI PGTKMCFGGLKKEKDRNDLI TYLKKATE ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12073.930 _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 ALA . 25551 2 2 2 GLU . 25551 2 3 3 PHE . 25551 2 4 4 LYS . 25551 2 5 5 ALA . 25551 2 6 6 GLY . 25551 2 7 7 SER . 25551 2 8 8 ALA . 25551 2 9 9 LYS . 25551 2 10 10 LYS . 25551 2 11 11 GLY . 25551 2 12 12 ALA . 25551 2 13 13 THR . 25551 2 14 14 LEU . 25551 2 15 15 PHE . 25551 2 16 16 LYS . 25551 2 17 17 THR . 25551 2 18 18 ARG . 25551 2 19 19 CYS . 25551 2 20 20 LEU . 25551 2 21 21 GLN . 25551 2 22 22 CYS . 25551 2 23 23 HIS . 25551 2 24 24 THR . 25551 2 25 25 VAL . 25551 2 26 26 GLU . 25551 2 27 27 LYS . 25551 2 28 28 GLY . 25551 2 29 29 GLY . 25551 2 30 30 PRO . 25551 2 31 31 HIS . 25551 2 32 32 LYS . 25551 2 33 33 VAL . 25551 2 34 34 GLY . 25551 2 35 35 PRO . 25551 2 36 36 ASN . 25551 2 37 37 LEU . 25551 2 38 38 HIS . 25551 2 39 39 GLY . 25551 2 40 40 ILE . 25551 2 41 41 PHE . 25551 2 42 42 GLY . 25551 2 43 43 ARG . 25551 2 44 44 HIS . 25551 2 45 45 SER . 25551 2 46 46 GLY . 25551 2 47 47 GLN . 25551 2 48 48 ALA . 25551 2 49 49 GLU . 25551 2 50 50 GLY . 25551 2 51 51 TYR . 25551 2 52 52 SER . 25551 2 53 53 TYR . 25551 2 54 54 THR . 25551 2 55 55 ASP . 25551 2 56 56 ALA . 25551 2 57 57 ASN . 25551 2 58 58 ILE . 25551 2 59 59 LYS . 25551 2 60 60 LYS . 25551 2 61 61 ASN . 25551 2 62 62 VAL . 25551 2 63 63 LEU . 25551 2 64 64 TRP . 25551 2 65 65 ASP . 25551 2 66 66 GLU . 25551 2 67 67 ASN . 25551 2 68 68 ASN . 25551 2 69 69 MET . 25551 2 70 70 SER . 25551 2 71 71 GLU . 25551 2 72 72 TYR . 25551 2 73 73 LEU . 25551 2 74 74 THR . 25551 2 75 75 ASN . 25551 2 76 76 PRO . 25551 2 77 77 LYS . 25551 2 78 78 LYS . 25551 2 79 79 TYR . 25551 2 80 80 ILE . 25551 2 81 81 PRO . 25551 2 82 82 GLY . 25551 2 83 83 THR . 25551 2 84 84 LYS . 25551 2 85 85 MET . 25551 2 86 86 CYS . 25551 2 87 87 PHE . 25551 2 88 88 GLY . 25551 2 89 89 GLY . 25551 2 90 90 LEU . 25551 2 91 91 LYS . 25551 2 92 92 LYS . 25551 2 93 93 GLU . 25551 2 94 94 LYS . 25551 2 95 95 ASP . 25551 2 96 96 ARG . 25551 2 97 97 ASN . 25551 2 98 98 ASP . 25551 2 99 99 LEU . 25551 2 100 100 ILE . 25551 2 101 101 THR . 25551 2 102 102 TYR . 25551 2 103 103 LEU . 25551 2 104 104 LYS . 25551 2 105 105 LYS . 25551 2 106 106 ALA . 25551 2 107 107 THR . 25551 2 108 108 GLU . 25551 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 . ALA 1 1 25551 2 . GLU 2 2 25551 2 . PHE 3 3 25551 2 . LYS 4 4 25551 2 . ALA 5 5 25551 2 . GLY 6 6 25551 2 . SER 7 7 25551 2 . ALA 8 8 25551 2 . LYS 9 9 25551 2 . LYS 10 10 25551 2 . GLY 11 11 25551 2 . ALA 12 12 25551 2 . THR 13 13 25551 2 . LEU 14 14 25551 2 . PHE 15 15 25551 2 . LYS 16 16 25551 2 . THR 17 17 25551 2 . ARG 18 18 25551 2 . CYS 19 19 25551 2 . LEU 20 20 25551 2 . GLN 21 21 25551 2 . CYS 22 22 25551 2 . HIS 23 23 25551 2 . THR 24 24 25551 2 . VAL 25 25 25551 2 . GLU 26 26 25551 2 . LYS 27 27 25551 2 . GLY 28 28 25551 2 . GLY 29 29 25551 2 . PRO 30 30 25551 2 . HIS 31 31 25551 2 . LYS 32 32 25551 2 . VAL 33 33 25551 2 . GLY 34 34 25551 2 . PRO 35 35 25551 2 . ASN 36 36 25551 2 . LEU 37 37 25551 2 . HIS 38 38 25551 2 . GLY 39 39 25551 2 . ILE 40 40 25551 2 . PHE 41 41 25551 2 . GLY 42 42 25551 2 . ARG 43 43 25551 2 . HIS 44 44 25551 2 . SER 45 45 25551 2 . GLY 46 46 25551 2 . GLN 47 47 25551 2 . ALA 48 48 25551 2 . GLU 49 49 25551 2 . GLY 50 50 25551 2 . TYR 51 51 25551 2 . SER 52 52 25551 2 . TYR 53 53 25551 2 . THR 54 54 25551 2 . ASP 55 55 25551 2 . ALA 56 56 25551 2 . ASN 57 57 25551 2 . ILE 58 58 25551 2 . LYS 59 59 25551 2 . LYS 60 60 25551 2 . ASN 61 61 25551 2 . VAL 62 62 25551 2 . LEU 63 63 25551 2 . TRP 64 64 25551 2 . ASP 65 65 25551 2 . GLU 66 66 25551 2 . ASN 67 67 25551 2 . ASN 68 68 25551 2 . MET 69 69 25551 2 . SER 70 70 25551 2 . GLU 71 71 25551 2 . TYR 72 72 25551 2 . LEU 73 73 25551 2 . THR 74 74 25551 2 . ASN 75 75 25551 2 . PRO 76 76 25551 2 . LYS 77 77 25551 2 . LYS 78 78 25551 2 . TYR 79 79 25551 2 . ILE 80 80 25551 2 . PRO 81 81 25551 2 . GLY 82 82 25551 2 . THR 83 83 25551 2 . LYS 84 84 25551 2 . MET 85 85 25551 2 . CYS 86 86 25551 2 . PHE 87 87 25551 2 . GLY 88 88 25551 2 . GLY 89 89 25551 2 . LEU 90 90 25551 2 . LYS 91 91 25551 2 . LYS 92 92 25551 2 . GLU 93 93 25551 2 . LYS 94 94 25551 2 . ASP 95 95 25551 2 . ARG 96 96 25551 2 . ASN 97 97 25551 2 . ASP 98 98 25551 2 . LEU 99 99 25551 2 . ILE 100 100 25551 2 . THR 101 101 25551 2 . TYR 102 102 25551 2 . LEU 103 103 25551 2 . LYS 104 104 25551 2 . LYS 105 105 25551 2 . ALA 106 106 25551 2 . THR 107 107 25551 2 . GLU 108 108 25551 2 stop_ save_ save_Cc1 _Entity.Sf_category entity _Entity.Sf_framecode Cc1 _Entity.Entry_ID 25551 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name Cc1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TEFKAGSAKKGATLFKTRCL QCHTVEKGGPHKVGPNLHGI FGRHSGQAEGYSYTDANIKK NVLWDENNMSEYLTNPKKYI PGTKMAFGGLKKEKDRNDLI TYLKKACE ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12073.931 _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 THR . 25551 3 2 2 GLU . 25551 3 3 3 PHE . 25551 3 4 4 LYS . 25551 3 5 5 ALA . 25551 3 6 6 GLY . 25551 3 7 7 SER . 25551 3 8 8 ALA . 25551 3 9 9 LYS . 25551 3 10 10 LYS . 25551 3 11 11 GLY . 25551 3 12 12 ALA . 25551 3 13 13 THR . 25551 3 14 14 LEU . 25551 3 15 15 PHE . 25551 3 16 16 LYS . 25551 3 17 17 THR . 25551 3 18 18 ARG . 25551 3 19 19 CYS . 25551 3 20 20 LEU . 25551 3 21 21 GLN . 25551 3 22 22 CYS . 25551 3 23 23 HIS . 25551 3 24 24 THR . 25551 3 25 25 VAL . 25551 3 26 26 GLU . 25551 3 27 27 LYS . 25551 3 28 28 GLY . 25551 3 29 29 GLY . 25551 3 30 30 PRO . 25551 3 31 31 HIS . 25551 3 32 32 LYS . 25551 3 33 33 VAL . 25551 3 34 34 GLY . 25551 3 35 35 PRO . 25551 3 36 36 ASN . 25551 3 37 37 LEU . 25551 3 38 38 HIS . 25551 3 39 39 GLY . 25551 3 40 40 ILE . 25551 3 41 41 PHE . 25551 3 42 42 GLY . 25551 3 43 43 ARG . 25551 3 44 44 HIS . 25551 3 45 45 SER . 25551 3 46 46 GLY . 25551 3 47 47 GLN . 25551 3 48 48 ALA . 25551 3 49 49 GLU . 25551 3 50 50 GLY . 25551 3 51 51 TYR . 25551 3 52 52 SER . 25551 3 53 53 TYR . 25551 3 54 54 THR . 25551 3 55 55 ASP . 25551 3 56 56 ALA . 25551 3 57 57 ASN . 25551 3 58 58 ILE . 25551 3 59 59 LYS . 25551 3 60 60 LYS . 25551 3 61 61 ASN . 25551 3 62 62 VAL . 25551 3 63 63 LEU . 25551 3 64 64 TRP . 25551 3 65 65 ASP . 25551 3 66 66 GLU . 25551 3 67 67 ASN . 25551 3 68 68 ASN . 25551 3 69 69 MET . 25551 3 70 70 SER . 25551 3 71 71 GLU . 25551 3 72 72 TYR . 25551 3 73 73 LEU . 25551 3 74 74 THR . 25551 3 75 75 ASN . 25551 3 76 76 PRO . 25551 3 77 77 LYS . 25551 3 78 78 LYS . 25551 3 79 79 TYR . 25551 3 80 80 ILE . 25551 3 81 81 PRO . 25551 3 82 82 GLY . 25551 3 83 83 THR . 25551 3 84 84 LYS . 25551 3 85 85 MET . 25551 3 86 86 ALA . 25551 3 87 87 PHE . 25551 3 88 88 GLY . 25551 3 89 89 GLY . 25551 3 90 90 LEU . 25551 3 91 91 LYS . 25551 3 92 92 LYS . 25551 3 93 93 GLU . 25551 3 94 94 LYS . 25551 3 95 95 ASP . 25551 3 96 96 ARG . 25551 3 97 97 ASN . 25551 3 98 98 ASP . 25551 3 99 99 LEU . 25551 3 100 100 ILE . 25551 3 101 101 THR . 25551 3 102 102 TYR . 25551 3 103 103 LEU . 25551 3 104 104 LYS . 25551 3 105 105 LYS . 25551 3 106 106 ALA . 25551 3 107 107 CYS . 25551 3 108 108 GLU . 25551 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . THR 1 1 25551 3 . GLU 2 2 25551 3 . PHE 3 3 25551 3 . LYS 4 4 25551 3 . ALA 5 5 25551 3 . GLY 6 6 25551 3 . SER 7 7 25551 3 . ALA 8 8 25551 3 . LYS 9 9 25551 3 . LYS 10 10 25551 3 . GLY 11 11 25551 3 . ALA 12 12 25551 3 . THR 13 13 25551 3 . LEU 14 14 25551 3 . PHE 15 15 25551 3 . LYS 16 16 25551 3 . THR 17 17 25551 3 . ARG 18 18 25551 3 . CYS 19 19 25551 3 . LEU 20 20 25551 3 . GLN 21 21 25551 3 . CYS 22 22 25551 3 . HIS 23 23 25551 3 . THR 24 24 25551 3 . VAL 25 25 25551 3 . GLU 26 26 25551 3 . LYS 27 27 25551 3 . GLY 28 28 25551 3 . GLY 29 29 25551 3 . PRO 30 30 25551 3 . HIS 31 31 25551 3 . LYS 32 32 25551 3 . VAL 33 33 25551 3 . GLY 34 34 25551 3 . PRO 35 35 25551 3 . ASN 36 36 25551 3 . LEU 37 37 25551 3 . HIS 38 38 25551 3 . GLY 39 39 25551 3 . ILE 40 40 25551 3 . PHE 41 41 25551 3 . GLY 42 42 25551 3 . ARG 43 43 25551 3 . HIS 44 44 25551 3 . SER 45 45 25551 3 . GLY 46 46 25551 3 . GLN 47 47 25551 3 . ALA 48 48 25551 3 . GLU 49 49 25551 3 . GLY 50 50 25551 3 . TYR 51 51 25551 3 . SER 52 52 25551 3 . TYR 53 53 25551 3 . THR 54 54 25551 3 . ASP 55 55 25551 3 . ALA 56 56 25551 3 . ASN 57 57 25551 3 . ILE 58 58 25551 3 . LYS 59 59 25551 3 . LYS 60 60 25551 3 . ASN 61 61 25551 3 . VAL 62 62 25551 3 . LEU 63 63 25551 3 . TRP 64 64 25551 3 . ASP 65 65 25551 3 . GLU 66 66 25551 3 . ASN 67 67 25551 3 . ASN 68 68 25551 3 . MET 69 69 25551 3 . SER 70 70 25551 3 . GLU 71 71 25551 3 . TYR 72 72 25551 3 . LEU 73 73 25551 3 . THR 74 74 25551 3 . ASN 75 75 25551 3 . PRO 76 76 25551 3 . LYS 77 77 25551 3 . LYS 78 78 25551 3 . TYR 79 79 25551 3 . ILE 80 80 25551 3 . PRO 81 81 25551 3 . GLY 82 82 25551 3 . THR 83 83 25551 3 . LYS 84 84 25551 3 . MET 85 85 25551 3 . ALA 86 86 25551 3 . PHE 87 87 25551 3 . GLY 88 88 25551 3 . GLY 89 89 25551 3 . LEU 90 90 25551 3 . LYS 91 91 25551 3 . LYS 92 92 25551 3 . GLU 93 93 25551 3 . LYS 94 94 25551 3 . ASP 95 95 25551 3 . ARG 96 96 25551 3 . ASN 97 97 25551 3 . ASP 98 98 25551 3 . LEU 99 99 25551 3 . ILE 100 100 25551 3 . THR 101 101 25551 3 . TYR 102 102 25551 3 . LEU 103 103 25551 3 . LYS 104 104 25551 3 . LYS 105 105 25551 3 . ALA 106 106 25551 3 . CYS 107 107 25551 3 . GLU 108 108 25551 3 stop_ save_ save_entity_HEM _Entity.Sf_category entity _Entity.Sf_framecode entity_HEM _Entity.Entry_ID 25551 _Entity.ID 4 _Entity.BMRB_code HEM _Entity.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 616.487 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 25551 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 25551 4 HEM 'Three letter code' 25551 4 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HEM $chem_comp_HEM 25551 4 stop_ save_ save_entity_HEC _Entity.Sf_category entity _Entity.Sf_framecode entity_HEC _Entity.Entry_ID 25551 _Entity.ID 5 _Entity.BMRB_code HEC _Entity.Name 'HEME C' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HEC _Entity.Nonpolymer_comp_label $chem_comp_HEC _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 618.503 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HEME C' BMRB 25551 5 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'HEME C' BMRB 25551 5 HEC 'Three letter code' 25551 5 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HEC $chem_comp_HEC 25551 5 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 25551 _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 $CcP . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25551 1 2 2 $Cc . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25551 1 3 3 $Cc1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25551 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 25551 _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 $CcP . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET24 . . . 25551 1 2 2 $Cc . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pUCcc . . . 25551 1 3 3 $Cc1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pUCcc . . . 25551 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID 25551 _Chem_comp.ID HEM _Chem_comp.Provenance PDB _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HEM _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MHM _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEM _Chem_comp.Number_atoms_all 75 _Chem_comp.Number_atoms_nh 43 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms HEME _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 Fe N4 O4' _Chem_comp.Formula_weight 616.487 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code 3IA3 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 25551 HEM Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O SMILES CACTVS 3.352 25551 HEM Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O SMILES_CANONICAL CACTVS 3.352 25551 HEM Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C SMILES 'OpenEye OEToolkits' 1.7.0 25551 HEM FEDYMSUPMFCVOD-UJJXFSCMSA-N InChIKey InChI 1.02 25551 HEM ; InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- ; InChI InChI 1.02 25551 HEM O=C(O)CCc5c(c2nc5cc1nc(C(=C1CCC(=O)O)C)cc4c(c(c(cc3nc(c2)C(=C3\C=C)C)n4)C)\C=C)C SMILES ACDLabs 11.02 25551 HEM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID "3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid" 'SYSTEMATIC NAME' ACDLabs 11.02 25551 HEM '3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 25551 HEM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CHA CHA CHA CHA . C . . N 0 . . . 1 yes no . . . . 2.748 . -19.531 . 39.896 . -2.161 -0.125 0.490 1 . 25551 HEM CHB CHB CHB CHB . C . . N 0 . . . 1 yes no . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 25551 HEM CHC CHC CHC CHC . C . . N 0 . . . 1 yes no . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 25551 HEM CHD CHD CHD CHD . C . . N 0 . . . 1 yes no . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 25551 HEM C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 25551 HEM C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 25551 HEM C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 25551 HEM C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 25551 HEM CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 25551 HEM CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 25551 HEM CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 25551 HEM CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 25551 HEM O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 25551 HEM O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 25551 HEM C1B C1B C1B C1B . C . . N 0 . . . 1 yes no . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 25551 HEM C2B C2B C2B C2B . C . . N 0 . . . 1 yes no . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 25551 HEM C3B C3B C3B C3B . C . . N 0 . . . 1 yes no . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 25551 HEM C4B C4B C4B C4B . C . . N 0 . . . 1 yes no . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 25551 HEM CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 25551 HEM CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 25551 HEM CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 25551 HEM C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 25551 HEM C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 25551 HEM C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 25551 HEM C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 25551 HEM CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 25551 HEM CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 25551 HEM CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 25551 HEM C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 25551 HEM C2D C2D C2D C2D . C . . N 0 . . . 1 yes no . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 25551 HEM C3D C3D C3D C3D . C . . N 0 . . . 1 yes no . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 25551 HEM C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 25551 HEM CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 25551 HEM CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 25551 HEM CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 25551 HEM CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 25551 HEM O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 25551 HEM O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 25551 HEM NA NA NA NA . N . . N 0 . . . 1 yes no . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 25551 HEM NB NB NB NB . N . . N 0 . . . 1 yes no . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 25551 HEM NC NC NC NC . N . . N 0 . . . 1 yes no . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 25551 HEM ND ND ND ND . N . . N 0 . . . 1 yes no . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 25551 HEM FE FE FE FE . FE . . S 0 . . . 0 no no . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 25551 HEM HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 25551 HEM HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 25551 HEM HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 25551 HEM HMA HMA HMA HMA . H . . N 0 . . . 1 no no . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 25551 HEM HMAA HMAA HMAA HMAA . H . . N 0 . . . 0 no no . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 25551 HEM HMAB HMAB HMAB HMAB . H . . N 0 . . . 0 no no . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 25551 HEM HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 3.894 . -15.575 . 40.209 . -3.662 -3.862 0.782 50 . 25551 HEM HAAA HAAA HAAA HAAA . H . . N 0 . . . 0 no no . . . . 3.264 . -16.976 . 41.104 . -4.024 -2.121 0.869 51 . 25551 HEM HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 5.351 . -18.235 . 40.650 . -3.825 -1.956 -1.597 52 . 25551 HEM HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 no no . . . . 5.999 . -16.792 . 39.732 . -3.464 -3.697 -1.684 53 . 25551 HEM HMB HMB HMB HMB . H . . N 0 . . . 1 no no . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 25551 HEM HMBA HMBA HMBA HMBA . H . . N 0 . . . 0 no no . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 25551 HEM HMBB HMBB HMBB HMBB . H . . N 0 . . . 0 no no . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 25551 HEM HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 25551 HEM HBB HBB HBB HBB . H . . N 0 . . . 1 no no . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 25551 HEM HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 no no . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 25551 HEM HMC HMC HMC HMC . H . . N 0 . . . 1 no no . . . . 1.438 . -25.328 . 32.822 . 6.554 1.949 -0.639 60 . 25551 HEM HMCA HMCA HMCA HMCA . H . . N 0 . . . 0 no no . . . . -0.288 . -25.484 . 33.296 . 6.110 3.316 -1.689 61 . 25551 HEM HMCB HMCB HMCB HMCB . H . . N 0 . . . 0 no no . . . . 0.278 . -24.010 . 32.440 . 6.362 3.578 0.053 62 . 25551 HEM HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 25551 HEM HBC HBC HBC HBC . H . . N 0 . . . 1 no no . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 25551 HEM HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 no no . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 25551 HEM HMD HMD HMD HMD . H . . N 0 . . . 1 no no . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 25551 HEM HMDA HMDA HMDA HMDA . H . . N 0 . . . 0 no no . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 25551 HEM HMDB HMDB HMDB HMDB . H . . N 0 . . . 0 no no . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 25551 HEM HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . 2.081 . -22.206 . 43.011 . -4.052 1.687 1.738 69 . 25551 HEM HADA HADA HADA HADA . H . . N 0 . . . 0 no no . . . . 2.951 . -20.739 . 42.575 . -3.893 3.459 1.677 70 . 25551 HEM HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 0.775 . -19.642 . 41.839 . -4.262 3.408 -0.775 71 . 25551 HEM HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 no no . . . . -0.116 . -21.147 . 42.297 . -4.421 1.636 -0.714 72 . 25551 HEM H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 25551 HEM H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 25551 HEM HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 25551 HEM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CHA C1A yes N 1 . 25551 HEM 2 . DOUB CHA C4D yes N 2 . 25551 HEM 3 . SING CHA HHA no N 3 . 25551 HEM 4 . SING CHB C4A yes N 4 . 25551 HEM 5 . DOUB CHB C1B yes N 5 . 25551 HEM 6 . SING CHB HHB no N 6 . 25551 HEM 7 . SING CHC C4B yes N 7 . 25551 HEM 8 . DOUB CHC C1C yes N 8 . 25551 HEM 9 . SING CHC HHC no N 9 . 25551 HEM 10 . DOUB CHD C4C yes N 10 . 25551 HEM 11 . SING CHD C1D yes N 11 . 25551 HEM 12 . SING CHD HHD no N 12 . 25551 HEM 13 . DOUB C1A C2A yes N 13 . 25551 HEM 14 . SING C1A NA yes N 14 . 25551 HEM 15 . SING C2A C3A yes N 15 . 25551 HEM 16 . SING C2A CAA no N 16 . 25551 HEM 17 . DOUB C3A C4A yes N 17 . 25551 HEM 18 . SING C3A CMA no N 18 . 25551 HEM 19 . SING C4A NA yes N 19 . 25551 HEM 20 . SING CMA HMA no N 20 . 25551 HEM 21 . SING CMA HMAA no N 21 . 25551 HEM 22 . SING CMA HMAB no N 22 . 25551 HEM 23 . SING CAA CBA no N 23 . 25551 HEM 24 . SING CAA HAA no N 24 . 25551 HEM 25 . SING CAA HAAA no N 25 . 25551 HEM 26 . SING CBA CGA no N 26 . 25551 HEM 27 . SING CBA HBA no N 27 . 25551 HEM 28 . SING CBA HBAA no N 28 . 25551 HEM 29 . DOUB CGA O1A no N 29 . 25551 HEM 30 . SING CGA O2A no N 30 . 25551 HEM 31 . SING C1B C2B no N 31 . 25551 HEM 32 . SING C1B NB yes N 32 . 25551 HEM 33 . DOUB C2B C3B yes N 33 . 25551 HEM 34 . SING C2B CMB yes N 34 . 25551 HEM 35 . SING C3B C4B no N 35 . 25551 HEM 36 . SING C3B CAB yes N 36 . 25551 HEM 37 . DOUB C4B NB no N 37 . 25551 HEM 38 . SING CMB HMB yes N 38 . 25551 HEM 39 . SING CMB HMBA no N 39 . 25551 HEM 40 . SING CMB HMBB no N 40 . 25551 HEM 41 . DOUB CAB CBB no N 41 . 25551 HEM 42 . SING CAB HAB no N 42 . 25551 HEM 43 . SING CBB HBB no N 43 . 25551 HEM 44 . SING CBB HBBA no N 44 . 25551 HEM 45 . SING C1C C2C no N 45 . 25551 HEM 46 . SING C1C NC yes N 46 . 25551 HEM 47 . DOUB C2C C3C yes N 47 . 25551 HEM 48 . SING C2C CMC yes N 48 . 25551 HEM 49 . SING C3C C4C no N 49 . 25551 HEM 50 . SING C3C CAC yes N 50 . 25551 HEM 51 . SING C4C NC no N 51 . 25551 HEM 52 . SING CMC HMC yes N 52 . 25551 HEM 53 . SING CMC HMCA no N 53 . 25551 HEM 54 . SING CMC HMCB no N 54 . 25551 HEM 55 . DOUB CAC CBC no N 55 . 25551 HEM 56 . SING CAC HAC no N 56 . 25551 HEM 57 . SING CBC HBC no N 57 . 25551 HEM 58 . SING CBC HBCA no N 58 . 25551 HEM 59 . SING C1D C2D no N 59 . 25551 HEM 60 . DOUB C1D ND yes N 60 . 25551 HEM 61 . DOUB C2D C3D yes N 61 . 25551 HEM 62 . SING C2D CMD yes N 62 . 25551 HEM 63 . SING C3D C4D no N 63 . 25551 HEM 64 . SING C3D CAD yes N 64 . 25551 HEM 65 . SING C4D ND no N 65 . 25551 HEM 66 . SING CMD HMD yes N 66 . 25551 HEM 67 . SING CMD HMDA no N 67 . 25551 HEM 68 . SING CMD HMDB no N 68 . 25551 HEM 69 . SING CAD CBD no N 69 . 25551 HEM 70 . SING CAD HAD no N 70 . 25551 HEM 71 . SING CAD HADA no N 71 . 25551 HEM 72 . SING CBD CGD no N 72 . 25551 HEM 73 . SING CBD HBD no N 73 . 25551 HEM 74 . SING CBD HBDA no N 74 . 25551 HEM 75 . DOUB CGD O1D no N 75 . 25551 HEM 76 . SING CGD O2D no N 76 . 25551 HEM 77 . SING O2A H2A no N 77 . 25551 HEM 78 . SING O2D H2D no N 78 . 25551 HEM 79 . SING FE NA no N 79 . 25551 HEM 80 . SING FE NB no N 80 . 25551 HEM 81 . SING FE NC no N 81 . 25551 HEM 82 . SING FE ND no N 82 . 25551 HEM stop_ save_ save_chem_comp_HEC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEC _Chem_comp.Entry_ID 25551 _Chem_comp.ID HEC _Chem_comp.Provenance PDB _Chem_comp.Name 'HEME C' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HEC _Chem_comp.PDB_code HEC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEC _Chem_comp.Number_atoms_all 77 _Chem_comp.Number_atoms_nh 43 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-; ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H34 Fe N4 O4' _Chem_comp.Formula_weight 618.503 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'not provided' _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1DY7 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C SMILES 'OpenEye OEToolkits' 1.5.0 25551 HEC CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25551 HEC CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C SMILES CACTVS 3.341 25551 HEC C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C SMILES_CANONICAL CACTVS 3.341 25551 HEC HXQIYSLZKNYNMH-LJNAALQVSA-N InChIKey InChI 1.03 25551 HEC ; InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-; ; InChI InChI 1.03 25551 HEC O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C SMILES ACDLabs 10.04 25551 HEC stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; {3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron ; 'SYSTEMATIC NAME' ACDLabs 10.04 25551 HEC stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID FE FE FE FE . FE . . N 0 . . . 0 no no . . . . 15.522 . 27.935 . 77.126 . . . . 1 . 25551 HEC CHA CHA CHA CHA . C . . N 0 . . . 1 no no . . . . 15.607 . 30.470 . 74.811 . . . . 2 . 25551 HEC CHB CHB CHB CHB . C . . N 0 . . . 1 no no . . . . 18.890 . 27.534 . 76.792 . . . . 3 . 25551 HEC CHC CHC CHC CHC . C . . N 0 . . . 1 no no . . . . 15.474 . 25.549 . 79.610 . . . . 4 . 25551 HEC CHD CHD CHD CHD . C . . N 0 . . . 1 no no . . . . 12.137 . 28.061 . 77.181 . . . . 5 . 25551 HEC NA NA NA 'N A' . N . . N 0 . . . 1 yes no . . . . 16.951 . 28.824 . 76.033 . . . . 6 . 25551 HEC C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 16.807 . 29.877 . 75.150 . . . . 7 . 25551 HEC C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . 18.105 . 30.253 . 74.630 . . . . 8 . 25551 HEC C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . 19.010 . 29.435 . 75.177 . . . . 9 . 25551 HEC C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 18.303 . 28.522 . 76.041 . . . . 10 . 25551 HEC CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 20.541 . 29.397 . 74.959 . . . . 11 . 25551 HEC CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 18.314 . 31.394 . 73.613 . . . . 12 . 25551 HEC CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 18.118 . 30.944 . 72.150 . . . . 13 . 25551 HEC CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 17.936 . 32.093 . 71.184 . . . . 14 . 25551 HEC O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 17.984 . 31.796 . 69.960 . . . . 15 . 25551 HEC O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 17.746 . 33.219 . 71.713 . . . . 16 . 25551 HEC NB NB NB 'N B' . N . . N 0 . . . 1 yes no . . . . 16.893 . 26.771 . 78.005 . . . . 17 . 25551 HEC C1B C1B C1B C1B . C . . N 0 . . . 1 yes no . . . . 18.247 . 26.743 . 77.714 . . . . 18 . 25551 HEC C2B C2B C2B C2B . C . . N 0 . . . 1 yes no . . . . 18.887 . 25.778 . 78.560 . . . . 19 . 25551 HEC C3B C3B C3B C3B . C . . N 0 . . . 1 yes no . . . . 17.936 . 25.254 . 79.345 . . . . 20 . 25551 HEC C4B C4B C4B C4B . C . . N 0 . . . 1 yes no . . . . 16.682 . 25.864 . 79.016 . . . . 21 . 25551 HEC CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 20.402 . 25.470 . 78.518 . . . . 22 . 25551 HEC CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 18.176 . 24.150 . 80.430 . . . . 23 . 25551 HEC CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 18.918 . 24.683 . 81.499 . . . . 24 . 25551 HEC NC NC NC 'N C' . N . . N 0 . . . 1 yes no . . . . 14.094 . 27.011 . 78.184 . . . . 25 . 25551 HEC C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 14.271 . 26.063 . 79.176 . . . . 26 . 25551 HEC C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . 12.975 . 25.602 . 79.660 . . . . 27 . 25551 HEC C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . 12.061 . 26.311 . 78.989 . . . . 28 . 25551 HEC C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 12.718 . 27.173 . 78.056 . . . . 29 . 25551 HEC CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 12.779 . 24.528 . 80.747 . . . . 30 . 25551 HEC CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 10.494 . 26.156 . 79.124 . . . . 31 . 25551 HEC CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 9.970 . 26.773 . 80.223 . . . . 32 . 25551 HEC ND ND ND 'N D' . N . . N 0 . . . 1 yes no . . . . 14.147 . 29.048 . 76.172 . . . . 33 . 25551 HEC C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 12.776 . 28.935 . 76.326 . . . . 34 . 25551 HEC C2D C2D C2D C2D . C . . N 0 . . . 1 yes no . . . . 12.141 . 29.896 . 75.454 . . . . 35 . 25551 HEC C3D C3D C3D C3D . C . . N 0 . . . 1 yes no . . . . 13.089 . 30.565 . 74.804 . . . . 36 . 25551 HEC C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 14.375 . 30.053 . 75.264 . . . . 37 . 25551 HEC CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 10.600 . 30.042 . 75.374 . . . . 38 . 25551 HEC CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 12.956 . 31.685 . 73.755 . . . . 39 . 25551 HEC CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 13.630 . 33.026 . 74.020 . . . . 40 . 25551 HEC CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 12.812 . 33.988 . 74.834 . . . . 41 . 25551 HEC O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 12.179 . 33.453 . 75.789 . . . . 42 . 25551 HEC O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . 12.826 . 35.208 . 74.518 . . . . 43 . 25551 HEC HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 15.634 . 31.337 . 74.130 . . . . 44 . 25551 HEC HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 19.969 . 27.361 . 76.642 . . . . 45 . 25551 HEC HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 15.469 . 24.856 . 80.468 . . . . 46 . 25551 HEC HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 11.034 . 28.073 . 77.162 . . . . 47 . 25551 HEC HMA1 HMA1 HMA1 1HMA . H . . N 0 . . . 0 no no . . . . 21.295 . 28.714 . 75.415 . . . . 48 . 25551 HEC HMA2 HMA2 HMA2 2HMA . H . . N 0 . . . 0 no no . . . . 20.681 . 29.301 . 73.857 . . . . 49 . 25551 HEC HMA3 HMA3 HMA3 3HMA . H . . N 0 . . . 0 no no . . . . 20.898 . 30.428 . 75.184 . . . . 50 . 25551 HEC HAA1 HAA1 HAA1 1HAA . H . . N 0 . . . 0 no no . . . . 17.659 . 32.264 . 73.852 . . . . 51 . 25551 HEC HAA2 HAA2 HAA2 2HAA . H . . N 0 . . . 0 no no . . . . 19.311 . 31.872 . 73.751 . . . . 52 . 25551 HEC HBA1 HBA1 HBA1 1HBA . H . . N 0 . . . 0 no no . . . . 18.955 . 30.284 . 71.824 . . . . 53 . 25551 HEC HBA2 HBA2 HBA2 2HBA . H . . N 0 . . . 0 no no . . . . 17.271 . 30.222 . 72.069 . . . . 54 . 25551 HEC H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 17.631 . 33.940 . 71.106 . . . . 55 . 25551 HEC HMB1 HMB1 HMB1 1HMB . H . . N 0 . . . 0 no no . . . . 20.899 . 24.719 . 79.175 . . . . 56 . 25551 HEC HMB2 HMB2 HMB2 2HMB . H . . N 0 . . . 0 no no . . . . 20.654 . 25.203 . 77.465 . . . . 57 . 25551 HEC HMB3 HMB3 HMB3 3HMB . H . . N 0 . . . 0 no no . . . . 20.938 . 26.437 . 78.658 . . . . 58 . 25551 HEC HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 17.852 . 23.095 . 80.440 . . . . 59 . 25551 HEC HBB1 HBB1 HBB1 1HBB . H . . N 0 . . . 0 no no . . . . 19.088 . 23.897 . 82.271 . . . . 60 . 25551 HEC HBB2 HBB2 HBB2 2HBB . H . . N 0 . . . 0 no no . . . . 19.872 . 25.147 . 81.156 . . . . 61 . 25551 HEC HBB3 HBB3 HBB3 3HBB . H . . N 0 . . . 0 no no . . . . 18.439 . 25.594 . 81.927 . . . . 62 . 25551 HEC HMC1 HMC1 HMC1 1HMC . H . . N 0 . . . 0 no no . . . . 11.788 . 24.175 . 81.117 . . . . 63 . 25551 HEC HMC2 HMC2 HMC2 2HMC . H . . N 0 . . . 0 no no . . . . 13.340 . 23.624 . 80.413 . . . . 64 . 25551 HEC HMC3 HMC3 HMC3 3HMC . H . . N 0 . . . 0 no no . . . . 13.357 . 24.861 . 81.639 . . . . 65 . 25551 HEC HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . 9.782 . 25.629 . 78.466 . . . . 66 . 25551 HEC HBC1 HBC1 HBC1 1HBC . H . . N 0 . . . 0 no no . . . . 8.864 . 26.663 . 80.318 . . . . 67 . 25551 HEC HBC2 HBC2 HBC2 2HBC . H . . N 0 . . . 0 no no . . . . 10.480 . 26.422 . 81.150 . . . . 68 . 25551 HEC HBC3 HBC3 HBC3 3HBC . H . . N 0 . . . 0 no no . . . . 10.260 . 27.849 . 80.244 . . . . 69 . 25551 HEC HMD1 HMD1 HMD1 1HMD . H . . N 0 . . . 0 no no . . . . 10.109 . 30.783 . 74.701 . . . . 70 . 25551 HEC HMD2 HMD2 HMD2 2HMD . H . . N 0 . . . 0 no no . . . . 10.175 . 29.038 . 75.139 . . . . 71 . 25551 HEC HMD3 HMD3 HMD3 3HMD . H . . N 0 . . . 0 no no . . . . 10.221 . 30.219 . 76.407 . . . . 72 . 25551 HEC HAD1 HAD1 HAD1 1HAD . H . . N 0 . . . 0 no no . . . . 13.302 . 31.297 . 72.768 . . . . 73 . 25551 HEC HAD2 HAD2 HAD2 2HAD . H . . N 0 . . . 0 no no . . . . 11.873 . 31.860 . 73.551 . . . . 74 . 25551 HEC HBD1 HBD1 HBD1 1HBD . H . . N 0 . . . 0 no no . . . . 14.628 . 32.871 . 74.491 . . . . 75 . 25551 HEC HBD2 HBD2 HBD2 2HBD . H . . N 0 . . . 0 no no . . . . 13.942 . 33.499 . 73.059 . . . . 76 . 25551 HEC H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . 12.308 . 35.816 . 75.032 . . . . 77 . 25551 HEC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING FE NA no N 1 . 25551 HEC 2 . SING FE NB no N 2 . 25551 HEC 3 . SING FE NC no N 3 . 25551 HEC 4 . SING FE ND no N 4 . 25551 HEC 5 . DOUB CHA C1A no N 5 . 25551 HEC 6 . SING CHA C4D no N 6 . 25551 HEC 7 . SING CHA HHA no N 7 . 25551 HEC 8 . DOUB CHB C4A no N 8 . 25551 HEC 9 . SING CHB C1B no N 9 . 25551 HEC 10 . SING CHB HHB no N 10 . 25551 HEC 11 . DOUB CHC C4B no N 11 . 25551 HEC 12 . SING CHC C1C no N 12 . 25551 HEC 13 . SING CHC HHC no N 13 . 25551 HEC 14 . DOUB CHD C4C no N 14 . 25551 HEC 15 . SING CHD C1D no N 15 . 25551 HEC 16 . SING CHD HHD no N 16 . 25551 HEC 17 . SING NA C1A yes N 17 . 25551 HEC 18 . SING NA C4A yes N 18 . 25551 HEC 19 . SING C1A C2A yes N 19 . 25551 HEC 20 . DOUB C2A C3A yes N 20 . 25551 HEC 21 . SING C2A CAA no N 21 . 25551 HEC 22 . SING C3A C4A yes N 22 . 25551 HEC 23 . SING C3A CMA no N 23 . 25551 HEC 24 . SING CMA HMA1 no N 24 . 25551 HEC 25 . SING CMA HMA2 no N 25 . 25551 HEC 26 . SING CMA HMA3 no N 26 . 25551 HEC 27 . SING CAA CBA no N 27 . 25551 HEC 28 . SING CAA HAA1 no N 28 . 25551 HEC 29 . SING CAA HAA2 no N 29 . 25551 HEC 30 . SING CBA CGA no N 30 . 25551 HEC 31 . SING CBA HBA1 no N 31 . 25551 HEC 32 . SING CBA HBA2 no N 32 . 25551 HEC 33 . DOUB CGA O1A no N 33 . 25551 HEC 34 . SING CGA O2A no N 34 . 25551 HEC 35 . SING O2A H2A no N 35 . 25551 HEC 36 . SING NB C1B yes N 36 . 25551 HEC 37 . SING NB C4B yes N 37 . 25551 HEC 38 . DOUB C1B C2B yes N 38 . 25551 HEC 39 . SING C2B C3B yes N 39 . 25551 HEC 40 . SING C2B CMB no N 40 . 25551 HEC 41 . SING C3B C4B yes N 41 . 25551 HEC 42 . DOUB C3B CAB no E 42 . 25551 HEC 43 . SING CMB HMB1 no N 43 . 25551 HEC 44 . SING CMB HMB2 no N 44 . 25551 HEC 45 . SING CMB HMB3 no N 45 . 25551 HEC 46 . SING CAB CBB no N 46 . 25551 HEC 47 . SING CAB HAB no N 47 . 25551 HEC 48 . SING CBB HBB1 no N 48 . 25551 HEC 49 . SING CBB HBB2 no N 49 . 25551 HEC 50 . SING CBB HBB3 no N 50 . 25551 HEC 51 . SING NC C1C yes N 51 . 25551 HEC 52 . SING NC C4C yes N 52 . 25551 HEC 53 . DOUB C1C C2C yes N 53 . 25551 HEC 54 . SING C2C C3C yes N 54 . 25551 HEC 55 . SING C2C CMC no N 55 . 25551 HEC 56 . SING C3C C4C yes N 56 . 25551 HEC 57 . DOUB C3C CAC no E 57 . 25551 HEC 58 . SING CMC HMC1 no N 58 . 25551 HEC 59 . SING CMC HMC2 no N 59 . 25551 HEC 60 . SING CMC HMC3 no N 60 . 25551 HEC 61 . SING CAC CBC no N 61 . 25551 HEC 62 . SING CAC HAC no N 62 . 25551 HEC 63 . SING CBC HBC1 no N 63 . 25551 HEC 64 . SING CBC HBC2 no N 64 . 25551 HEC 65 . SING CBC HBC3 no N 65 . 25551 HEC 66 . SING ND C1D yes N 66 . 25551 HEC 67 . SING ND C4D yes N 67 . 25551 HEC 68 . DOUB C1D C2D yes N 68 . 25551 HEC 69 . SING C2D C3D yes N 69 . 25551 HEC 70 . SING C2D CMD no N 70 . 25551 HEC 71 . DOUB C3D C4D yes N 71 . 25551 HEC 72 . SING C3D CAD no N 72 . 25551 HEC 73 . SING CMD HMD1 no N 73 . 25551 HEC 74 . SING CMD HMD2 no N 74 . 25551 HEC 75 . SING CMD HMD3 no N 75 . 25551 HEC 76 . SING CAD CBD no N 76 . 25551 HEC 77 . SING CAD HAD1 no N 77 . 25551 HEC 78 . SING CAD HAD2 no N 78 . 25551 HEC 79 . SING CBD CGD no N 79 . 25551 HEC 80 . SING CBD HBD1 no N 80 . 25551 HEC 81 . SING CBD HBD2 no N 81 . 25551 HEC 82 . DOUB CGD O1D no N 82 . 25551 HEC 83 . SING CGD O2D no N 83 . 25551 HEC 84 . SING O2D H2D no N 84 . 25551 HEC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25551 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 CcP '[U-2H; U-15N]' . . 1 $CcP . protein 0.4 . . mM . . . . 25551 1 2 Cc 'natural abundance' . . 2 $Cc . protein 0.4 . . mM . . . . 25551 1 3 Cc1 'natural abundance' . . 3 $Cc1 . protein 0.4 . . mM . . . . 25551 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25551 1 5 H2O 'natural abundance' . . . . . solvent 93 . . % . . . . 25551 1 6 D2O [U-2H] . . . . . solvent 7 . . % . . . . 25551 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 25551 _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' 15 . mM 25551 1 pH 6.0 . pH 25551 1 pressure 1 . atm 25551 1 temperature 298 . K 25551 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25551 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25551 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25551 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25551 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25551 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25551 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25551 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25551 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25551 3 'data analysis' 25551 3 'peak picking' 25551 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25551 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25551 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25551 4 'structure solution' 25551 4 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 25551 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _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 25551 _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 Varian 'Uniform NMR System' . 800 . . . 25551 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 25551 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25551 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25551 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25551 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25551 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 25551 _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' 1 $sample_1 isotropic 25551 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 LEU H H 1 8.16 0.04 . 1 . . . A 4 LEU H . 25551 1 2 . 1 1 4 4 LEU N N 15 126.82 0.2 . 1 . . . A 4 LEU N . 25551 1 3 . 1 1 5 5 VAL H H 1 8.10 0.04 . 1 . . . A 5 VAL H . 25551 1 4 . 1 1 5 5 VAL N N 15 124.17 0.2 . 1 . . . A 5 VAL N . 25551 1 5 . 1 1 6 6 HIS H H 1 8.64 0.04 . 1 . . . A 6 HIS H . 25551 1 6 . 1 1 6 6 HIS N N 15 125.58 0.2 . 1 . . . A 6 HIS N . 25551 1 7 . 1 1 7 7 VAL H H 1 8.77 0.04 . 1 . . . A 7 VAL H . 25551 1 8 . 1 1 7 7 VAL N N 15 124.79 0.2 . 1 . . . A 7 VAL N . 25551 1 9 . 1 1 8 8 ALA H H 1 8.39 0.04 . 1 . . . A 8 ALA H . 25551 1 10 . 1 1 8 8 ALA N N 15 135.39 0.2 . 1 . . . A 8 ALA N . 25551 1 11 . 1 1 9 9 SER H H 1 9.46 0.04 . 1 . . . A 9 SER H . 25551 1 12 . 1 1 9 9 SER N N 15 120.35 0.2 . 1 . . . A 9 SER N . 25551 1 13 . 1 1 13 13 GLY H H 1 8.69 0.04 . 1 . . . A 13 GLY H . 25551 1 14 . 1 1 13 13 GLY N N 15 112.62 0.2 . 1 . . . A 13 GLY N . 25551 1 15 . 1 1 14 14 ARG H H 1 7.49 0.04 . 1 . . . A 14 ARG H . 25551 1 16 . 1 1 14 14 ARG N N 15 119.18 0.2 . 1 . . . A 14 ARG N . 25551 1 17 . 1 1 15 15 SER H H 1 9.28 0.04 . 1 . . . A 15 SER H . 25551 1 18 . 1 1 15 15 SER N N 15 119.65 0.2 . 1 . . . A 15 SER N . 25551 1 19 . 1 1 16 16 TYR H H 1 8.85 0.04 . 1 . . . A 16 TYR H . 25551 1 20 . 1 1 16 16 TYR N N 15 122.10 0.2 . 1 . . . A 16 TYR N . 25551 1 21 . 1 1 17 17 GLU H H 1 8.75 0.04 . 1 . . . A 17 GLU H . 25551 1 22 . 1 1 17 17 GLU N N 15 117.18 0.2 . 1 . . . A 17 GLU N . 25551 1 23 . 1 1 18 18 ASP H H 1 7.52 0.04 . 1 . . . A 18 ASP H . 25551 1 24 . 1 1 18 18 ASP N N 15 117.94 0.2 . 1 . . . A 18 ASP N . 25551 1 25 . 1 1 19 19 PHE H H 1 7.44 0.04 . 1 . . . A 19 PHE H . 25551 1 26 . 1 1 19 19 PHE N N 15 116.27 0.2 . 1 . . . A 19 PHE N . 25551 1 27 . 1 1 20 20 GLN H H 1 8.80 0.04 . 1 . . . A 20 GLN H . 25551 1 28 . 1 1 20 20 GLN N N 15 121.78 0.2 . 1 . . . A 20 GLN N . 25551 1 29 . 1 1 21 21 LYS H H 1 7.31 0.04 . 1 . . . A 21 LYS H . 25551 1 30 . 1 1 21 21 LYS N N 15 119.53 0.2 . 1 . . . A 21 LYS N . 25551 1 31 . 1 1 25 25 ALA H H 1 7.71 0.04 . 1 . . . A 25 ALA H . 25551 1 32 . 1 1 25 25 ALA N N 15 123.13 0.2 . 1 . . . A 25 ALA N . 25551 1 33 . 1 1 29 29 LYS H H 1 7.37 0.04 . 1 . . . A 29 LYS H . 25551 1 34 . 1 1 29 29 LYS N N 15 123.35 0.2 . 1 . . . A 29 LYS N . 25551 1 35 . 1 1 31 31 ARG H H 1 7.21 0.04 . 1 . . . A 31 ARG H . 25551 1 36 . 1 1 31 31 ARG N N 15 117.11 0.2 . 1 . . . A 31 ARG N . 25551 1 37 . 1 1 32 32 GLU H H 1 7.71 0.04 . 1 . . . A 32 GLU H . 25551 1 38 . 1 1 32 32 GLU N N 15 118.52 0.2 . 1 . . . A 32 GLU N . 25551 1 39 . 1 1 36 36 TYR H H 1 6.49 0.04 . 1 . . . A 36 TYR H . 25551 1 40 . 1 1 36 36 TYR N N 15 120.63 0.2 . 1 . . . A 36 TYR N . 25551 1 41 . 1 1 37 37 ASP H H 1 7.66 0.04 . 1 . . . A 37 ASP H . 25551 1 42 . 1 1 37 37 ASP N N 15 127.59 0.2 . 1 . . . A 37 ASP N . 25551 1 43 . 1 1 38 38 ASN H H 1 8.15 0.04 . 1 . . . A 38 ASN H . 25551 1 44 . 1 1 38 38 ASN N N 15 115.01 0.2 . 1 . . . A 38 ASN N . 25551 1 45 . 1 1 39 39 TYR H H 1 7.01 0.04 . 1 . . . A 39 TYR H . 25551 1 46 . 1 1 39 39 TYR N N 15 107.79 0.2 . 1 . . . A 39 TYR N . 25551 1 47 . 1 1 41 41 GLY H H 1 8.12 0.04 . 1 . . . A 41 GLY H . 25551 1 48 . 1 1 41 41 GLY N N 15 106.69 0.2 . 1 . . . A 41 GLY N . 25551 1 49 . 1 1 42 42 TYR H H 1 9.01 0.04 . 1 . . . A 42 TYR H . 25551 1 50 . 1 1 42 42 TYR N N 15 115.30 0.2 . 1 . . . A 42 TYR N . 25551 1 51 . 1 1 43 43 GLY H H 1 8.84 0.04 . 1 . . . A 43 GLY H . 25551 1 52 . 1 1 43 43 GLY N N 15 108.46 0.2 . 1 . . . A 43 GLY N . 25551 1 53 . 1 1 46 46 LEU H H 1 7.13 0.04 . 1 . . . A 46 LEU H . 25551 1 54 . 1 1 46 46 LEU N N 15 121.90 0.2 . 1 . . . A 46 LEU N . 25551 1 55 . 1 1 47 47 VAL H H 1 7.05 0.04 . 1 . . . A 47 VAL H . 25551 1 56 . 1 1 47 47 VAL N N 15 122.04 0.2 . 1 . . . A 47 VAL N . 25551 1 57 . 1 1 48 48 ARG H H 1 6.84 0.04 . 1 . . . A 48 ARG H . 25551 1 58 . 1 1 48 48 ARG N N 15 120.10 0.2 . 1 . . . A 48 ARG N . 25551 1 59 . 1 1 49 49 LEU H H 1 8.60 0.04 . 1 . . . A 49 LEU H . 25551 1 60 . 1 1 49 49 LEU N N 15 122.12 0.2 . 1 . . . A 49 LEU N . 25551 1 61 . 1 1 50 50 ALA H H 1 7.76 0.04 . 1 . . . A 50 ALA H . 25551 1 62 . 1 1 50 50 ALA N N 15 124.06 0.2 . 1 . . . A 50 ALA N . 25551 1 63 . 1 1 51 51 TRP H H 1 7.74 0.04 . 1 . . . A 51 TRP H . 25551 1 64 . 1 1 51 51 TRP N N 15 121.12 0.2 . 1 . . . A 51 TRP N . 25551 1 65 . 1 1 52 52 HIS H H 1 9.90 0.04 . 1 . . . A 52 HIS H . 25551 1 66 . 1 1 52 52 HIS N N 15 120.93 0.2 . 1 . . . A 52 HIS N . 25551 1 67 . 1 1 53 53 THR H H 1 8.18 0.04 . 1 . . . A 53 THR H . 25551 1 68 . 1 1 53 53 THR N N 15 107.95 0.2 . 1 . . . A 53 THR N . 25551 1 69 . 1 1 54 54 SER H H 1 6.90 0.04 . 1 . . . A 54 SER H . 25551 1 70 . 1 1 54 54 SER N N 15 113.99 0.2 . 1 . . . A 54 SER N . 25551 1 71 . 1 1 55 55 GLY H H 1 8.82 0.04 . 1 . . . A 55 GLY H . 25551 1 72 . 1 1 55 55 GLY N N 15 113.12 0.2 . 1 . . . A 55 GLY N . 25551 1 73 . 1 1 56 56 THR H H 1 6.51 0.04 . 1 . . . A 56 THR H . 25551 1 74 . 1 1 56 56 THR N N 15 103.73 0.2 . 1 . . . A 56 THR N . 25551 1 75 . 1 1 57 57 TRP H H 1 6.99 0.04 . 1 . . . A 57 TRP H . 25551 1 76 . 1 1 57 57 TRP N N 15 122.05 0.2 . 1 . . . A 57 TRP N . 25551 1 77 . 1 1 58 58 ASP H H 1 7.41 0.04 . 1 . . . A 58 ASP H . 25551 1 78 . 1 1 58 58 ASP N N 15 126.20 0.2 . 1 . . . A 58 ASP N . 25551 1 79 . 1 1 59 59 LYS H H 1 6.64 0.04 . 1 . . . A 59 LYS H . 25551 1 80 . 1 1 59 59 LYS N N 15 122.53 0.2 . 1 . . . A 59 LYS N . 25551 1 81 . 1 1 60 60 HIS H H 1 8.65 0.04 . 1 . . . A 60 HIS H . 25551 1 82 . 1 1 60 60 HIS N N 15 119.81 0.2 . 1 . . . A 60 HIS N . 25551 1 83 . 1 1 61 61 ASP H H 1 6.82 0.04 . 1 . . . A 61 ASP H . 25551 1 84 . 1 1 61 61 ASP N N 15 114.26 0.2 . 1 . . . A 61 ASP N . 25551 1 85 . 1 1 62 62 ASN H H 1 8.27 0.04 . 1 . . . A 62 ASN H . 25551 1 86 . 1 1 62 62 ASN N N 15 117.74 0.2 . 1 . . . A 62 ASN N . 25551 1 87 . 1 1 63 63 THR H H 1 7.66 0.04 . 1 . . . A 63 THR H . 25551 1 88 . 1 1 63 63 THR N N 15 108.60 0.2 . 1 . . . A 63 THR N . 25551 1 89 . 1 1 64 64 GLY H H 1 8.57 0.04 . 1 . . . A 64 GLY H . 25551 1 90 . 1 1 64 64 GLY N N 15 105.52 0.2 . 1 . . . A 64 GLY N . 25551 1 91 . 1 1 65 65 GLY H H 1 8.23 0.04 . 1 . . . A 65 GLY H . 25551 1 92 . 1 1 65 65 GLY N N 15 107.93 0.2 . 1 . . . A 65 GLY N . 25551 1 93 . 1 1 66 66 SER H H 1 8.62 0.04 . 1 . . . A 66 SER H . 25551 1 94 . 1 1 66 66 SER N N 15 112.06 0.2 . 1 . . . A 66 SER N . 25551 1 95 . 1 1 67 67 TYR H H 1 8.49 0.04 . 1 . . . A 67 TYR H . 25551 1 96 . 1 1 67 67 TYR N N 15 122.55 0.2 . 1 . . . A 67 TYR N . 25551 1 97 . 1 1 68 68 GLY H H 1 8.50 0.04 . 1 . . . A 68 GLY H . 25551 1 98 . 1 1 68 68 GLY N N 15 99.15 0.2 . 1 . . . A 68 GLY N . 25551 1 99 . 1 1 69 69 GLY H H 1 7.88 0.04 . 1 . . . A 69 GLY H . 25551 1 100 . 1 1 69 69 GLY N N 15 109.99 0.2 . 1 . . . A 69 GLY N . 25551 1 101 . 1 1 71 71 TYR H H 1 8.58 0.04 . 1 . . . A 71 TYR H . 25551 1 102 . 1 1 71 71 TYR N N 15 124.79 0.2 . 1 . . . A 71 TYR N . 25551 1 103 . 1 1 72 72 ARG H H 1 7.00 0.04 . 1 . . . A 72 ARG H . 25551 1 104 . 1 1 72 72 ARG N N 15 108.54 0.2 . 1 . . . A 72 ARG N . 25551 1 105 . 1 1 73 73 PHE H H 1 8.42 0.04 . 1 . . . A 73 PHE H . 25551 1 106 . 1 1 73 73 PHE N N 15 123.73 0.2 . 1 . . . A 73 PHE N . 25551 1 107 . 1 1 74 74 LYS H H 1 8.96 0.04 . 1 . . . A 74 LYS H . 25551 1 108 . 1 1 74 74 LYS N N 15 122.42 0.2 . 1 . . . A 74 LYS N . 25551 1 109 . 1 1 75 75 LYS H H 1 8.76 0.04 . 1 . . . A 75 LYS H . 25551 1 110 . 1 1 75 75 LYS N N 15 117.88 0.2 . 1 . . . A 75 LYS N . 25551 1 111 . 1 1 76 76 GLU H H 1 6.90 0.04 . 1 . . . A 76 GLU H . 25551 1 112 . 1 1 76 76 GLU N N 15 119.22 0.2 . 1 . . . A 76 GLU N . 25551 1 113 . 1 1 77 77 PHE H H 1 8.83 0.04 . 1 . . . A 77 PHE H . 25551 1 114 . 1 1 77 77 PHE N N 15 125.55 0.2 . 1 . . . A 77 PHE N . 25551 1 115 . 1 1 78 78 ASN H H 1 8.17 0.04 . 1 . . . A 78 ASN H . 25551 1 116 . 1 1 78 78 ASN N N 15 112.66 0.2 . 1 . . . A 78 ASN N . 25551 1 117 . 1 1 79 79 ASP H H 1 7.75 0.04 . 1 . . . A 79 ASP H . 25551 1 118 . 1 1 79 79 ASP N N 15 124.89 0.2 . 1 . . . A 79 ASP N . 25551 1 119 . 1 1 81 81 SER H H 1 9.43 0.04 . 1 . . . A 81 SER H . 25551 1 120 . 1 1 81 81 SER N N 15 115.98 0.2 . 1 . . . A 81 SER N . 25551 1 121 . 1 1 82 82 ASN H H 1 9.57 0.04 . 1 . . . A 82 ASN H . 25551 1 122 . 1 1 82 82 ASN N N 15 115.81 0.2 . 1 . . . A 82 ASN N . 25551 1 123 . 1 1 83 83 ALA H H 1 8.49 0.04 . 1 . . . A 83 ALA H . 25551 1 124 . 1 1 83 83 ALA N N 15 128.79 0.2 . 1 . . . A 83 ALA N . 25551 1 125 . 1 1 84 84 GLY H H 1 9.13 0.04 . 1 . . . A 84 GLY H . 25551 1 126 . 1 1 84 84 GLY N N 15 115.33 0.2 . 1 . . . A 84 GLY N . 25551 1 127 . 1 1 85 85 LEU H H 1 8.72 0.04 . 1 . . . A 85 LEU H . 25551 1 128 . 1 1 85 85 LEU N N 15 120.02 0.2 . 1 . . . A 85 LEU N . 25551 1 129 . 1 1 86 86 GLN H H 1 10.08 0.04 . 1 . . . A 86 GLN H . 25551 1 130 . 1 1 86 86 GLN N N 15 122.95 0.2 . 1 . . . A 86 GLN N . 25551 1 131 . 1 1 87 87 ASN H H 1 7.59 0.04 . 1 . . . A 87 ASN H . 25551 1 132 . 1 1 87 87 ASN N N 15 116.64 0.2 . 1 . . . A 87 ASN N . 25551 1 133 . 1 1 88 88 GLY H H 1 7.65 0.04 . 1 . . . A 88 GLY H . 25551 1 134 . 1 1 88 88 GLY N N 15 107.37 0.2 . 1 . . . A 88 GLY N . 25551 1 135 . 1 1 89 89 PHE H H 1 8.25 0.04 . 1 . . . A 89 PHE H . 25551 1 136 . 1 1 89 89 PHE N N 15 123.21 0.2 . 1 . . . A 89 PHE N . 25551 1 137 . 1 1 90 90 LYS H H 1 8.61 0.04 . 1 . . . A 90 LYS H . 25551 1 138 . 1 1 90 90 LYS N N 15 117.94 0.2 . 1 . . . A 90 LYS N . 25551 1 139 . 1 1 91 91 PHE H H 1 7.10 0.04 . 1 . . . A 91 PHE H . 25551 1 140 . 1 1 91 91 PHE N N 15 121.17 0.2 . 1 . . . A 91 PHE N . 25551 1 141 . 1 1 92 92 LEU H H 1 7.15 0.04 . 1 . . . A 92 LEU H . 25551 1 142 . 1 1 92 92 LEU N N 15 114.16 0.2 . 1 . . . A 92 LEU N . 25551 1 143 . 1 1 93 93 GLU H H 1 7.64 0.04 . 1 . . . A 93 GLU H . 25551 1 144 . 1 1 93 93 GLU N N 15 122.86 0.2 . 1 . . . A 93 GLU N . 25551 1 145 . 1 1 95 95 ILE H H 1 6.63 0.04 . 1 . . . A 95 ILE H . 25551 1 146 . 1 1 95 95 ILE N N 15 119.43 0.2 . 1 . . . A 95 ILE N . 25551 1 147 . 1 1 96 96 HIS H H 1 8.22 0.04 . 1 . . . A 96 HIS H . 25551 1 148 . 1 1 96 96 HIS N N 15 121.36 0.2 . 1 . . . A 96 HIS N . 25551 1 149 . 1 1 97 97 LYS H H 1 7.53 0.04 . 1 . . . A 97 LYS H . 25551 1 150 . 1 1 97 97 LYS N N 15 114.96 0.2 . 1 . . . A 97 LYS N . 25551 1 151 . 1 1 98 98 GLU H H 1 7.02 0.04 . 1 . . . A 98 GLU H . 25551 1 152 . 1 1 98 98 GLU N N 15 119.30 0.2 . 1 . . . A 98 GLU N . 25551 1 153 . 1 1 104 104 SER H H 1 10.06 0.04 . 1 . . . A 104 SER H . 25551 1 154 . 1 1 104 104 SER N N 15 120.07 0.2 . 1 . . . A 104 SER N . 25551 1 155 . 1 1 105 105 GLY H H 1 9.43 0.04 . 1 . . . A 105 GLY H . 25551 1 156 . 1 1 105 105 GLY N N 15 109.08 0.2 . 1 . . . A 105 GLY N . 25551 1 157 . 1 1 107 107 LEU H H 1 7.90 0.04 . 1 . . . A 107 LEU H . 25551 1 158 . 1 1 107 107 LEU N N 15 122.35 0.2 . 1 . . . A 107 LEU N . 25551 1 159 . 1 1 111 111 GLY H H 1 8.69 0.04 . 1 . . . A 111 GLY H . 25551 1 160 . 1 1 111 111 GLY N N 15 109.17 0.2 . 1 . . . A 111 GLY N . 25551 1 161 . 1 1 112 112 GLY H H 1 6.93 0.04 . 1 . . . A 112 GLY H . 25551 1 162 . 1 1 112 112 GLY N N 15 105.22 0.2 . 1 . . . A 112 GLY N . 25551 1 163 . 1 1 120 120 GLN H H 1 7.37 0.04 . 1 . . . A 120 GLN H . 25551 1 164 . 1 1 120 120 GLN N N 15 109.64 0.2 . 1 . . . A 120 GLN N . 25551 1 165 . 1 1 121 121 GLY H H 1 7.96 0.04 . 1 . . . A 121 GLY H . 25551 1 166 . 1 1 121 121 GLY N N 15 105.58 0.2 . 1 . . . A 121 GLY N . 25551 1 167 . 1 1 127 127 ARG H H 1 7.92 0.04 . 1 . . . A 127 ARG H . 25551 1 168 . 1 1 127 127 ARG N N 15 126.89 0.2 . 1 . . . A 127 ARG N . 25551 1 169 . 1 1 132 132 ASP H H 1 8.12 0.04 . 1 . . . A 132 ASP H . 25551 1 170 . 1 1 132 132 ASP N N 15 124.16 0.2 . 1 . . . A 132 ASP N . 25551 1 171 . 1 1 133 133 THR H H 1 8.75 0.04 . 1 . . . A 133 THR H . 25551 1 172 . 1 1 133 133 THR N N 15 117.21 0.2 . 1 . . . A 133 THR N . 25551 1 173 . 1 1 135 135 GLU H H 1 8.73 0.04 . 1 . . . A 135 GLU H . 25551 1 174 . 1 1 135 135 GLU N N 15 124.37 0.2 . 1 . . . A 135 GLU N . 25551 1 175 . 1 1 136 136 ASP H H 1 8.53 0.04 . 1 . . . A 136 ASP H . 25551 1 176 . 1 1 136 136 ASP N N 15 117.91 0.2 . 1 . . . A 136 ASP N . 25551 1 177 . 1 1 137 137 THR H H 1 8.06 0.04 . 1 . . . A 137 THR H . 25551 1 178 . 1 1 137 137 THR N N 15 110.68 0.2 . 1 . . . A 137 THR N . 25551 1 179 . 1 1 138 138 THR H H 1 7.63 0.04 . 1 . . . A 138 THR H . 25551 1 180 . 1 1 138 138 THR N N 15 123.92 0.2 . 1 . . . A 138 THR N . 25551 1 181 . 1 1 140 140 ASP H H 1 8.39 0.04 . 1 . . . A 140 ASP H . 25551 1 182 . 1 1 140 140 ASP N N 15 120.23 0.2 . 1 . . . A 140 ASP N . 25551 1 183 . 1 1 141 141 ASN H H 1 8.87 0.04 . 1 . . . A 141 ASN H . 25551 1 184 . 1 1 141 141 ASN N N 15 117.77 0.2 . 1 . . . A 141 ASN N . 25551 1 185 . 1 1 142 142 GLY H H 1 8.62 0.04 . 1 . . . A 142 GLY H . 25551 1 186 . 1 1 142 142 GLY N N 15 111.06 0.2 . 1 . . . A 142 GLY N . 25551 1 187 . 1 1 143 143 ARG H H 1 9.16 0.04 . 1 . . . A 143 ARG H . 25551 1 188 . 1 1 143 143 ARG N N 15 120.44 0.2 . 1 . . . A 143 ARG N . 25551 1 189 . 1 1 144 144 LEU H H 1 8.13 0.04 . 1 . . . A 144 LEU H . 25551 1 190 . 1 1 144 144 LEU N N 15 121.53 0.2 . 1 . . . A 144 LEU N . 25551 1 191 . 1 1 146 146 ASP H H 1 7.51 0.04 . 1 . . . A 146 ASP H . 25551 1 192 . 1 1 146 146 ASP N N 15 121.10 0.2 . 1 . . . A 146 ASP N . 25551 1 193 . 1 1 147 147 ALA H H 1 7.56 0.04 . 1 . . . A 147 ALA H . 25551 1 194 . 1 1 147 147 ALA N N 15 116.18 0.2 . 1 . . . A 147 ALA N . 25551 1 195 . 1 1 148 148 ASP H H 1 8.01 0.04 . 1 . . . A 148 ASP H . 25551 1 196 . 1 1 148 148 ASP N N 15 115.61 0.2 . 1 . . . A 148 ASP N . 25551 1 197 . 1 1 149 149 LYS H H 1 5.78 0.04 . 1 . . . A 149 LYS H . 25551 1 198 . 1 1 149 149 LYS N N 15 118.12 0.2 . 1 . . . A 149 LYS N . 25551 1 199 . 1 1 150 150 ASP H H 1 6.81 0.04 . 1 . . . A 150 ASP H . 25551 1 200 . 1 1 150 150 ASP N N 15 115.92 0.2 . 1 . . . A 150 ASP N . 25551 1 201 . 1 1 151 151 ALA H H 1 8.38 0.04 . 1 . . . A 151 ALA H . 25551 1 202 . 1 1 151 151 ALA N N 15 119.66 0.2 . 1 . . . A 151 ALA N . 25551 1 203 . 1 1 152 152 ASP H H 1 7.64 0.04 . 1 . . . A 152 ASP H . 25551 1 204 . 1 1 152 152 ASP N N 15 115.44 0.2 . 1 . . . A 152 ASP N . 25551 1 205 . 1 1 153 153 TYR H H 1 7.70 0.04 . 1 . . . A 153 TYR H . 25551 1 206 . 1 1 153 153 TYR N N 15 121.93 0.2 . 1 . . . A 153 TYR N . 25551 1 207 . 1 1 154 154 VAL H H 1 7.91 0.04 . 1 . . . A 154 VAL H . 25551 1 208 . 1 1 154 154 VAL N N 15 122.73 0.2 . 1 . . . A 154 VAL N . 25551 1 209 . 1 1 155 155 ARG H H 1 8.56 0.04 . 1 . . . A 155 ARG H . 25551 1 210 . 1 1 155 155 ARG N N 15 121.34 0.2 . 1 . . . A 155 ARG N . 25551 1 211 . 1 1 156 156 THR H H 1 7.93 0.04 . 1 . . . A 156 THR H . 25551 1 212 . 1 1 156 156 THR N N 15 115.90 0.2 . 1 . . . A 156 THR N . 25551 1 213 . 1 1 157 157 PHE H H 1 8.73 0.04 . 1 . . . A 157 PHE H . 25551 1 214 . 1 1 157 157 PHE N N 15 125.83 0.2 . 1 . . . A 157 PHE N . 25551 1 215 . 1 1 158 158 PHE H H 1 7.92 0.04 . 1 . . . A 158 PHE H . 25551 1 216 . 1 1 158 158 PHE N N 15 114.12 0.2 . 1 . . . A 158 PHE N . 25551 1 217 . 1 1 159 159 GLN H H 1 7.53 0.04 . 1 . . . A 159 GLN H . 25551 1 218 . 1 1 159 159 GLN N N 15 121.55 0.2 . 1 . . . A 159 GLN N . 25551 1 219 . 1 1 160 160 ARG H H 1 7.24 0.04 . 1 . . . A 160 ARG H . 25551 1 220 . 1 1 160 160 ARG N N 15 123.54 0.2 . 1 . . . A 160 ARG N . 25551 1 221 . 1 1 161 161 LEU H H 1 6.41 0.04 . 1 . . . A 161 LEU H . 25551 1 222 . 1 1 161 161 LEU N N 15 112.15 0.2 . 1 . . . A 161 LEU N . 25551 1 223 . 1 1 162 162 ASN H H 1 7.75 0.04 . 1 . . . A 162 ASN H . 25551 1 224 . 1 1 162 162 ASN N N 15 113.41 0.2 . 1 . . . A 162 ASN N . 25551 1 225 . 1 1 163 163 MET H H 1 7.32 0.04 . 1 . . . A 163 MET H . 25551 1 226 . 1 1 163 163 MET N N 15 114.08 0.2 . 1 . . . A 163 MET N . 25551 1 227 . 1 1 164 164 ASN H H 1 9.82 0.04 . 1 . . . A 164 ASN H . 25551 1 228 . 1 1 164 164 ASN N N 15 126.21 0.2 . 1 . . . A 164 ASN N . 25551 1 229 . 1 1 165 165 ASP H H 1 7.98 0.04 . 1 . . . A 165 ASP H . 25551 1 230 . 1 1 165 165 ASP N N 15 114.58 0.2 . 1 . . . A 165 ASP N . 25551 1 231 . 1 1 166 166 ARG H H 1 7.62 0.04 . 1 . . . A 166 ARG H . 25551 1 232 . 1 1 166 166 ARG N N 15 117.79 0.2 . 1 . . . A 166 ARG N . 25551 1 233 . 1 1 167 167 GLU H H 1 7.75 0.04 . 1 . . . A 167 GLU H . 25551 1 234 . 1 1 167 167 GLU N N 15 117.53 0.2 . 1 . . . A 167 GLU N . 25551 1 235 . 1 1 168 168 VAL H H 1 8.19 0.04 . 1 . . . A 168 VAL H . 25551 1 236 . 1 1 168 168 VAL N N 15 118.05 0.2 . 1 . . . A 168 VAL N . 25551 1 237 . 1 1 169 169 VAL H H 1 8.08 0.04 . 1 . . . A 169 VAL H . 25551 1 238 . 1 1 169 169 VAL N N 15 117.30 0.2 . 1 . . . A 169 VAL N . 25551 1 239 . 1 1 170 170 ALA H H 1 9.07 0.04 . 1 . . . A 170 ALA H . 25551 1 240 . 1 1 170 170 ALA N N 15 123.29 0.2 . 1 . . . A 170 ALA N . 25551 1 241 . 1 1 171 171 LEU H H 1 8.75 0.04 . 1 . . . A 171 LEU H . 25551 1 242 . 1 1 171 171 LEU N N 15 117.97 0.2 . 1 . . . A 171 LEU N . 25551 1 243 . 1 1 172 172 MET H H 1 8.70 0.04 . 1 . . . A 172 MET H . 25551 1 244 . 1 1 172 172 MET N N 15 118.65 0.2 . 1 . . . A 172 MET N . 25551 1 245 . 1 1 173 173 GLY H H 1 8.95 0.04 . 1 . . . A 173 GLY H . 25551 1 246 . 1 1 173 173 GLY N N 15 105.18 0.2 . 1 . . . A 173 GLY N . 25551 1 247 . 1 1 174 174 ALA H H 1 10.12 0.04 . 1 . . . A 174 ALA H . 25551 1 248 . 1 1 174 174 ALA N N 15 124.18 0.2 . 1 . . . A 174 ALA N . 25551 1 249 . 1 1 176 176 ALA H H 1 8.53 0.04 . 1 . . . A 176 ALA H . 25551 1 250 . 1 1 176 176 ALA N N 15 116.72 0.2 . 1 . . . A 176 ALA N . 25551 1 251 . 1 1 177 177 LEU H H 1 8.27 0.04 . 1 . . . A 177 LEU H . 25551 1 252 . 1 1 177 177 LEU N N 15 116.67 0.2 . 1 . . . A 177 LEU N . 25551 1 253 . 1 1 178 178 GLY H H 1 8.31 0.04 . 1 . . . A 178 GLY H . 25551 1 254 . 1 1 178 178 GLY N N 15 100.94 0.2 . 1 . . . A 178 GLY N . 25551 1 255 . 1 1 179 179 LYS H H 1 7.14 0.04 . 1 . . . A 179 LYS H . 25551 1 256 . 1 1 179 179 LYS N N 15 116.45 0.2 . 1 . . . A 179 LYS N . 25551 1 257 . 1 1 180 180 THR H H 1 6.11 0.04 . 1 . . . A 180 THR H . 25551 1 258 . 1 1 180 180 THR N N 15 104.39 0.2 . 1 . . . A 180 THR N . 25551 1 259 . 1 1 181 181 HIS H H 1 9.41 0.04 . 1 . . . A 181 HIS H . 25551 1 260 . 1 1 181 181 HIS N N 15 123.59 0.2 . 1 . . . A 181 HIS N . 25551 1 261 . 1 1 182 182 LEU H H 1 8.66 0.04 . 1 . . . A 182 LEU H . 25551 1 262 . 1 1 182 182 LEU N N 15 131.80 0.2 . 1 . . . A 182 LEU N . 25551 1 263 . 1 1 183 183 LYS H H 1 8.77 0.04 . 1 . . . A 183 LYS H . 25551 1 264 . 1 1 183 183 LYS N N 15 114.03 0.2 . 1 . . . A 183 LYS N . 25551 1 265 . 1 1 184 184 ASN H H 1 7.99 0.04 . 1 . . . A 184 ASN H . 25551 1 266 . 1 1 184 184 ASN N N 15 116.06 0.2 . 1 . . . A 184 ASN N . 25551 1 267 . 1 1 185 185 SER H H 1 8.18 0.04 . 1 . . . A 185 SER H . 25551 1 268 . 1 1 185 185 SER N N 15 110.05 0.2 . 1 . . . A 185 SER N . 25551 1 269 . 1 1 186 186 GLY H H 1 8.37 0.04 . 1 . . . A 186 GLY H . 25551 1 270 . 1 1 186 186 GLY N N 15 110.75 0.2 . 1 . . . A 186 GLY N . 25551 1 271 . 1 1 187 187 TYR H H 1 7.36 0.04 . 1 . . . A 187 TYR H . 25551 1 272 . 1 1 187 187 TYR N N 15 119.58 0.2 . 1 . . . A 187 TYR N . 25551 1 273 . 1 1 188 188 GLU H H 1 7.53 0.04 . 1 . . . A 188 GLU H . 25551 1 274 . 1 1 188 188 GLU N N 15 117.95 0.2 . 1 . . . A 188 GLU N . 25551 1 275 . 1 1 189 189 GLY H H 1 6.69 0.04 . 1 . . . A 189 GLY H . 25551 1 276 . 1 1 189 189 GLY N N 15 117.77 0.2 . 1 . . . A 189 GLY N . 25551 1 277 . 1 1 191 191 TRP H H 1 7.68 0.04 . 1 . . . A 191 TRP H . 25551 1 278 . 1 1 191 191 TRP N N 15 122.03 0.2 . 1 . . . A 191 TRP N . 25551 1 279 . 1 1 192 192 GLY H H 1 7.28 0.04 . 1 . . . A 192 GLY H . 25551 1 280 . 1 1 192 192 GLY N N 15 102.71 0.2 . 1 . . . A 192 GLY N . 25551 1 281 . 1 1 200 200 ASN H H 1 8.96 0.04 . 1 . . . A 200 ASN H . 25551 1 282 . 1 1 200 200 ASN N N 15 116.56 0.2 . 1 . . . A 200 ASN N . 25551 1 283 . 1 1 201 201 GLU H H 1 8.79 0.04 . 1 . . . A 201 GLU H . 25551 1 284 . 1 1 201 201 GLU N N 15 120.00 0.2 . 1 . . . A 201 GLU N . 25551 1 285 . 1 1 202 202 PHE H H 1 8.36 0.04 . 1 . . . A 202 PHE H . 25551 1 286 . 1 1 202 202 PHE N N 15 118.39 0.2 . 1 . . . A 202 PHE N . 25551 1 287 . 1 1 203 203 TYR H H 1 6.97 0.04 . 1 . . . A 203 TYR H . 25551 1 288 . 1 1 203 203 TYR N N 15 115.62 0.2 . 1 . . . A 203 TYR N . 25551 1 289 . 1 1 204 204 LEU H H 1 7.32 0.04 . 1 . . . A 204 LEU H . 25551 1 290 . 1 1 204 204 LEU N N 15 116.89 0.2 . 1 . . . A 204 LEU N . 25551 1 291 . 1 1 205 205 ASN H H 1 9.12 0.04 . 1 . . . A 205 ASN H . 25551 1 292 . 1 1 205 205 ASN N N 15 119.46 0.2 . 1 . . . A 205 ASN N . 25551 1 293 . 1 1 206 206 LEU H H 1 8.49 0.04 . 1 . . . A 206 LEU H . 25551 1 294 . 1 1 206 206 LEU N N 15 123.91 0.2 . 1 . . . A 206 LEU N . 25551 1 295 . 1 1 207 207 LEU H H 1 7.45 0.04 . 1 . . . A 207 LEU H . 25551 1 296 . 1 1 207 207 LEU N N 15 112.97 0.2 . 1 . . . A 207 LEU N . 25551 1 297 . 1 1 208 208 ASN H H 1 8.63 0.04 . 1 . . . A 208 ASN H . 25551 1 298 . 1 1 208 208 ASN N N 15 114.86 0.2 . 1 . . . A 208 ASN N . 25551 1 299 . 1 1 209 209 GLU H H 1 7.91 0.04 . 1 . . . A 209 GLU H . 25551 1 300 . 1 1 209 209 GLU N N 15 119.13 0.2 . 1 . . . A 209 GLU N . 25551 1 301 . 1 1 210 210 ASP H H 1 8.14 0.04 . 1 . . . A 210 ASP H . 25551 1 302 . 1 1 210 210 ASP N N 15 120.01 0.2 . 1 . . . A 210 ASP N . 25551 1 303 . 1 1 211 211 TRP H H 1 7.85 0.04 . 1 . . . A 211 TRP H . 25551 1 304 . 1 1 211 211 TRP N N 15 124.85 0.2 . 1 . . . A 211 TRP N . 25551 1 305 . 1 1 212 212 LYS H H 1 9.22 0.04 . 1 . . . A 212 LYS H . 25551 1 306 . 1 1 212 212 LYS N N 15 124.27 0.2 . 1 . . . A 212 LYS N . 25551 1 307 . 1 1 213 213 LEU H H 1 8.06 0.04 . 1 . . . A 213 LEU H . 25551 1 308 . 1 1 213 213 LEU N N 15 131.11 0.2 . 1 . . . A 213 LEU N . 25551 1 309 . 1 1 214 214 GLU H H 1 8.82 0.04 . 1 . . . A 214 GLU H . 25551 1 310 . 1 1 214 214 GLU N N 15 127.54 0.2 . 1 . . . A 214 GLU N . 25551 1 311 . 1 1 215 215 LYS H H 1 8.21 0.04 . 1 . . . A 215 LYS H . 25551 1 312 . 1 1 215 215 LYS N N 15 120.12 0.2 . 1 . . . A 215 LYS N . 25551 1 313 . 1 1 216 216 ASN H H 1 8.40 0.04 . 1 . . . A 216 ASN H . 25551 1 314 . 1 1 216 216 ASN N N 15 122.73 0.2 . 1 . . . A 216 ASN N . 25551 1 315 . 1 1 217 217 ASP H H 1 8.61 0.04 . 1 . . . A 217 ASP H . 25551 1 316 . 1 1 217 217 ASP N N 15 117.45 0.2 . 1 . . . A 217 ASP N . 25551 1 317 . 1 1 218 218 ALA H H 1 8.04 0.04 . 1 . . . A 218 ALA H . 25551 1 318 . 1 1 218 218 ALA N N 15 122.47 0.2 . 1 . . . A 218 ALA N . 25551 1 319 . 1 1 219 219 ASN H H 1 8.13 0.04 . 1 . . . A 219 ASN H . 25551 1 320 . 1 1 219 219 ASN N N 15 112.83 0.2 . 1 . . . A 219 ASN N . 25551 1 321 . 1 1 220 220 ASN H H 1 7.35 0.04 . 1 . . . A 220 ASN H . 25551 1 322 . 1 1 220 220 ASN N N 15 115.60 0.2 . 1 . . . A 220 ASN N . 25551 1 323 . 1 1 221 221 GLU H H 1 8.11 0.04 . 1 . . . A 221 GLU H . 25551 1 324 . 1 1 221 221 GLU N N 15 119.96 0.2 . 1 . . . A 221 GLU N . 25551 1 325 . 1 1 222 222 GLN H H 1 8.64 0.04 . 1 . . . A 222 GLN H . 25551 1 326 . 1 1 222 222 GLN N N 15 117.64 0.2 . 1 . . . A 222 GLN N . 25551 1 327 . 1 1 223 223 TRP H H 1 8.31 0.04 . 1 . . . A 223 TRP H . 25551 1 328 . 1 1 223 223 TRP N N 15 123.61 0.2 . 1 . . . A 223 TRP N . 25551 1 329 . 1 1 224 224 ASP H H 1 9.43 0.04 . 1 . . . A 224 ASP H . 25551 1 330 . 1 1 224 224 ASP N N 15 120.27 0.2 . 1 . . . A 224 ASP N . 25551 1 331 . 1 1 225 225 SER H H 1 8.92 0.04 . 1 . . . A 225 SER H . 25551 1 332 . 1 1 225 225 SER N N 15 118.78 0.2 . 1 . . . A 225 SER N . 25551 1 333 . 1 1 226 226 LYS H H 1 8.70 0.04 . 1 . . . A 226 LYS H . 25551 1 334 . 1 1 226 226 LYS N N 15 124.87 0.2 . 1 . . . A 226 LYS N . 25551 1 335 . 1 1 227 227 SER H H 1 7.47 0.04 . 1 . . . A 227 SER H . 25551 1 336 . 1 1 227 227 SER N N 15 113.31 0.2 . 1 . . . A 227 SER N . 25551 1 337 . 1 1 228 228 GLY H H 1 7.59 0.04 . 1 . . . A 228 GLY H . 25551 1 338 . 1 1 228 228 GLY N N 15 106.43 0.2 . 1 . . . A 228 GLY N . 25551 1 339 . 1 1 229 229 TYR H H 1 6.38 0.04 . 1 . . . A 229 TYR H . 25551 1 340 . 1 1 229 229 TYR N N 15 119.99 0.2 . 1 . . . A 229 TYR N . 25551 1 341 . 1 1 230 230 MET H H 1 9.23 0.04 . 1 . . . A 230 MET H . 25551 1 342 . 1 1 230 230 MET N N 15 124.34 0.2 . 1 . . . A 230 MET N . 25551 1 343 . 1 1 231 231 MET H H 1 8.61 0.04 . 1 . . . A 231 MET H . 25551 1 344 . 1 1 231 231 MET N N 15 112.91 0.2 . 1 . . . A 231 MET N . 25551 1 345 . 1 1 232 232 LEU H H 1 10.16 0.04 . 1 . . . A 232 LEU H . 25551 1 346 . 1 1 232 232 LEU N N 15 121.89 0.2 . 1 . . . A 232 LEU N . 25551 1 347 . 1 1 234 234 THR H H 1 6.91 0.04 . 1 . . . A 234 THR H . 25551 1 348 . 1 1 234 234 THR N N 15 106.58 0.2 . 1 . . . A 234 THR N . 25551 1 349 . 1 1 235 235 ASP H H 1 6.48 0.04 . 1 . . . A 235 ASP H . 25551 1 350 . 1 1 235 235 ASP N N 15 121.45 0.2 . 1 . . . A 235 ASP N . 25551 1 351 . 1 1 236 236 TYR H H 1 8.06 0.04 . 1 . . . A 236 TYR H . 25551 1 352 . 1 1 236 236 TYR N N 15 118.97 0.2 . 1 . . . A 236 TYR N . 25551 1 353 . 1 1 237 237 SER H H 1 7.71 0.04 . 1 . . . A 237 SER H . 25551 1 354 . 1 1 237 237 SER N N 15 113.83 0.2 . 1 . . . A 237 SER N . 25551 1 355 . 1 1 238 238 LEU H H 1 7.70 0.04 . 1 . . . A 238 LEU H . 25551 1 356 . 1 1 238 238 LEU N N 15 120.76 0.2 . 1 . . . A 238 LEU N . 25551 1 357 . 1 1 240 240 GLN H H 1 7.31 0.04 . 1 . . . A 240 GLN H . 25551 1 358 . 1 1 240 240 GLN N N 15 120.81 0.2 . 1 . . . A 240 GLN N . 25551 1 359 . 1 1 241 241 ASP H H 1 7.35 0.04 . 1 . . . A 241 ASP H . 25551 1 360 . 1 1 241 241 ASP N N 15 122.98 0.2 . 1 . . . A 241 ASP N . 25551 1 361 . 1 1 243 243 LYS H H 1 7.46 0.04 . 1 . . . A 243 LYS H . 25551 1 362 . 1 1 243 243 LYS N N 15 118.72 0.2 . 1 . . . A 243 LYS N . 25551 1 363 . 1 1 244 244 TYR H H 1 8.53 0.04 . 1 . . . A 244 TYR H . 25551 1 364 . 1 1 244 244 TYR N N 15 121.32 0.2 . 1 . . . A 244 TYR N . 25551 1 365 . 1 1 245 245 LEU H H 1 8.78 0.04 . 1 . . . A 245 LEU H . 25551 1 366 . 1 1 245 245 LEU N N 15 122.35 0.2 . 1 . . . A 245 LEU N . 25551 1 367 . 1 1 246 246 SER H H 1 7.09 0.04 . 1 . . . A 246 SER H . 25551 1 368 . 1 1 246 246 SER N N 15 110.10 0.2 . 1 . . . A 246 SER N . 25551 1 369 . 1 1 247 247 ILE H H 1 7.34 0.04 . 1 . . . A 247 ILE H . 25551 1 370 . 1 1 247 247 ILE N N 15 123.67 0.2 . 1 . . . A 247 ILE N . 25551 1 371 . 1 1 248 248 VAL H H 1 8.64 0.04 . 1 . . . A 248 VAL H . 25551 1 372 . 1 1 248 248 VAL N N 15 122.49 0.2 . 1 . . . A 248 VAL N . 25551 1 373 . 1 1 249 249 LYS H H 1 8.20 0.04 . 1 . . . A 249 LYS H . 25551 1 374 . 1 1 249 249 LYS N N 15 115.74 0.2 . 1 . . . A 249 LYS N . 25551 1 375 . 1 1 250 250 GLU H H 1 7.28 0.04 . 1 . . . A 250 GLU H . 25551 1 376 . 1 1 250 250 GLU N N 15 120.51 0.2 . 1 . . . A 250 GLU N . 25551 1 377 . 1 1 251 251 TYR H H 1 7.84 0.04 . 1 . . . A 251 TYR H . 25551 1 378 . 1 1 251 251 TYR N N 15 120.11 0.2 . 1 . . . A 251 TYR N . 25551 1 379 . 1 1 252 252 ALA H H 1 8.71 0.04 . 1 . . . A 252 ALA H . 25551 1 380 . 1 1 252 252 ALA N N 15 122.06 0.2 . 1 . . . A 252 ALA N . 25551 1 381 . 1 1 253 253 ASN H H 1 7.33 0.04 . 1 . . . A 253 ASN H . 25551 1 382 . 1 1 253 253 ASN N N 15 112.49 0.2 . 1 . . . A 253 ASN N . 25551 1 383 . 1 1 254 254 ASP H H 1 7.71 0.04 . 1 . . . A 254 ASP H . 25551 1 384 . 1 1 254 254 ASP N N 15 120.42 0.2 . 1 . . . A 254 ASP N . 25551 1 385 . 1 1 255 255 GLN H H 1 9.18 0.04 . 1 . . . A 255 GLN H . 25551 1 386 . 1 1 255 255 GLN N N 15 126.15 0.2 . 1 . . . A 255 GLN N . 25551 1 387 . 1 1 256 256 ASP H H 1 8.19 0.04 . 1 . . . A 256 ASP H . 25551 1 388 . 1 1 256 256 ASP N N 15 118.98 0.2 . 1 . . . A 256 ASP N . 25551 1 389 . 1 1 257 257 LYS H H 1 7.70 0.04 . 1 . . . A 257 LYS H . 25551 1 390 . 1 1 257 257 LYS N N 15 122.05 0.2 . 1 . . . A 257 LYS N . 25551 1 391 . 1 1 258 258 PHE H H 1 7.54 0.04 . 1 . . . A 258 PHE H . 25551 1 392 . 1 1 258 258 PHE N N 15 118.68 0.2 . 1 . . . A 258 PHE N . 25551 1 393 . 1 1 259 259 PHE H H 1 9.00 0.04 . 1 . . . A 259 PHE H . 25551 1 394 . 1 1 259 259 PHE N N 15 121.07 0.2 . 1 . . . A 259 PHE N . 25551 1 395 . 1 1 260 260 LYS H H 1 7.96 0.04 . 1 . . . A 260 LYS H . 25551 1 396 . 1 1 260 260 LYS N N 15 118.99 0.2 . 1 . . . A 260 LYS N . 25551 1 397 . 1 1 261 261 ASP H H 1 8.41 0.04 . 1 . . . A 261 ASP H . 25551 1 398 . 1 1 261 261 ASP N N 15 122.03 0.2 . 1 . . . A 261 ASP N . 25551 1 399 . 1 1 262 262 PHE H H 1 9.91 0.04 . 1 . . . A 262 PHE H . 25551 1 400 . 1 1 262 262 PHE N N 15 123.92 0.2 . 1 . . . A 262 PHE N . 25551 1 401 . 1 1 263 263 SER H H 1 8.23 0.04 . 1 . . . A 263 SER H . 25551 1 402 . 1 1 263 263 SER N N 15 112.67 0.2 . 1 . . . A 263 SER N . 25551 1 403 . 1 1 264 264 LYS H H 1 7.13 0.04 . 1 . . . A 264 LYS H . 25551 1 404 . 1 1 264 264 LYS N N 15 117.35 0.2 . 1 . . . A 264 LYS N . 25551 1 405 . 1 1 265 265 ALA H H 1 7.99 0.04 . 1 . . . A 265 ALA H . 25551 1 406 . 1 1 265 265 ALA N N 15 123.11 0.2 . 1 . . . A 265 ALA N . 25551 1 407 . 1 1 266 266 PHE H H 1 9.19 0.04 . 1 . . . A 266 PHE H . 25551 1 408 . 1 1 266 266 PHE N N 15 120.35 0.2 . 1 . . . A 266 PHE N . 25551 1 409 . 1 1 267 267 GLU H H 1 7.83 0.04 . 1 . . . A 267 GLU H . 25551 1 410 . 1 1 267 267 GLU N N 15 117.68 0.2 . 1 . . . A 267 GLU N . 25551 1 411 . 1 1 268 268 LYS H H 1 7.39 0.04 . 1 . . . A 268 LYS H . 25551 1 412 . 1 1 268 268 LYS N N 15 118.63 0.2 . 1 . . . A 268 LYS N . 25551 1 413 . 1 1 269 269 LEU H H 1 8.17 0.04 . 1 . . . A 269 LEU H . 25551 1 414 . 1 1 269 269 LEU N N 15 119.38 0.2 . 1 . . . A 269 LEU N . 25551 1 415 . 1 1 270 270 LEU H H 1 7.47 0.04 . 1 . . . A 270 LEU H . 25551 1 416 . 1 1 270 270 LEU N N 15 118.13 0.2 . 1 . . . A 270 LEU N . 25551 1 417 . 1 1 271 271 GLU H H 1 7.49 0.04 . 1 . . . A 271 GLU H . 25551 1 418 . 1 1 271 271 GLU N N 15 119.18 0.2 . 1 . . . A 271 GLU N . 25551 1 419 . 1 1 272 272 ASN H H 1 7.09 0.04 . 1 . . . A 272 ASN H . 25551 1 420 . 1 1 272 272 ASN N N 15 122.99 0.2 . 1 . . . A 272 ASN N . 25551 1 421 . 1 1 273 273 GLY H H 1 8.26 0.04 . 1 . . . A 273 GLY H . 25551 1 422 . 1 1 273 273 GLY N N 15 109.97 0.2 . 1 . . . A 273 GLY N . 25551 1 423 . 1 1 274 274 ILE H H 1 7.52 0.04 . 1 . . . A 274 ILE H . 25551 1 424 . 1 1 274 274 ILE N N 15 121.80 0.2 . 1 . . . A 274 ILE N . 25551 1 425 . 1 1 275 275 THR H H 1 8.73 0.04 . 1 . . . A 275 THR H . 25551 1 426 . 1 1 275 275 THR N N 15 124.96 0.2 . 1 . . . A 275 THR N . 25551 1 427 . 1 1 276 276 PHE H H 1 9.03 0.04 . 1 . . . A 276 PHE H . 25551 1 428 . 1 1 276 276 PHE N N 15 129.14 0.2 . 1 . . . A 276 PHE N . 25551 1 429 . 1 1 278 278 LYS H H 1 8.73 0.04 . 1 . . . A 278 LYS H . 25551 1 430 . 1 1 278 278 LYS N N 15 121.77 0.2 . 1 . . . A 278 LYS N . 25551 1 431 . 1 1 279 279 ASP H H 1 8.14 0.04 . 1 . . . A 279 ASP H . 25551 1 432 . 1 1 279 279 ASP N N 15 114.74 0.2 . 1 . . . A 279 ASP N . 25551 1 433 . 1 1 280 280 ALA H H 1 7.47 0.04 . 1 . . . A 280 ALA H . 25551 1 434 . 1 1 280 280 ALA N N 15 124.24 0.2 . 1 . . . A 280 ALA N . 25551 1 435 . 1 1 282 282 SER H H 1 8.22 0.04 . 1 . . . A 282 SER H . 25551 1 436 . 1 1 282 282 SER N N 15 118.86 0.2 . 1 . . . A 282 SER N . 25551 1 437 . 1 1 284 284 PHE H H 1 8.94 0.04 . 1 . . . A 284 PHE H . 25551 1 438 . 1 1 284 284 PHE N N 15 124.51 0.2 . 1 . . . A 284 PHE N . 25551 1 439 . 1 1 285 285 ILE H H 1 7.73 0.04 . 1 . . . A 285 ILE H . 25551 1 440 . 1 1 285 285 ILE N N 15 120.42 0.2 . 1 . . . A 285 ILE N . 25551 1 441 . 1 1 286 286 PHE H H 1 9.82 0.04 . 1 . . . A 286 PHE H . 25551 1 442 . 1 1 286 286 PHE N N 15 129.98 0.2 . 1 . . . A 286 PHE N . 25551 1 443 . 1 1 287 287 LYS H H 1 8.64 0.04 . 1 . . . A 287 LYS H . 25551 1 444 . 1 1 287 287 LYS N N 15 123.80 0.2 . 1 . . . A 287 LYS N . 25551 1 445 . 1 1 288 288 THR H H 1 8.44 0.04 . 1 . . . A 288 THR H . 25551 1 446 . 1 1 288 288 THR N N 15 109.53 0.2 . 1 . . . A 288 THR N . 25551 1 447 . 1 1 289 289 LEU H H 1 9.35 0.04 . 1 . . . A 289 LEU H . 25551 1 448 . 1 1 289 289 LEU N N 15 122.34 0.2 . 1 . . . A 289 LEU N . 25551 1 449 . 1 1 290 290 GLU H H 1 8.81 0.04 . 1 . . . A 290 GLU H . 25551 1 450 . 1 1 290 290 GLU N N 15 120.38 0.2 . 1 . . . A 290 GLU N . 25551 1 451 . 1 1 291 291 GLU H H 1 7.87 0.04 . 1 . . . A 291 GLU H . 25551 1 452 . 1 1 291 291 GLU N N 15 120.45 0.2 . 1 . . . A 291 GLU N . 25551 1 453 . 1 1 292 292 GLN H H 1 7.45 0.04 . 1 . . . A 292 GLN H . 25551 1 454 . 1 1 292 292 GLN N N 15 116.34 0.2 . 1 . . . A 292 GLN N . 25551 1 455 . 1 1 293 293 GLY H H 1 7.83 0.04 . 1 . . . A 293 GLY H . 25551 1 456 . 1 1 293 293 GLY N N 15 109.91 0.2 . 1 . . . A 293 GLY N . 25551 1 457 . 1 1 294 294 LEU H H 1 7.59 0.04 . 1 . . . A 294 LEU H . 25551 1 458 . 1 1 294 294 LEU N N 15 126.18 0.2 . 1 . . . A 294 LEU N . 25551 1 stop_ save_