data_19208 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19208 _Entry.Title ; Backbone resonance assignments of the 42 kDa enzyme arginine kinase in the transition state analogue form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-30 _Entry.Accession_date 2013-04-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Omar Davulcu . . . 19208 2 Jack Skalicky . J. . 19208 3 Michael Chapman . S. . 19208 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Oregon Health and Science University' . 19208 2 . 'University of Utah' . 19208 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19208 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 963 19208 '15N chemical shifts' 324 19208 '1H chemical shifts' 325 19208 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 . . 2014-05-05 2013-04-30 update BMRB 'update entry citation' 19208 1 . . 2013-11-18 2013-04-30 original author 'original release' 19208 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6542 . 19208 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 19208 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23893440 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments of the 42kDa enzyme arginine kinase in the transition state analogue form.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _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 Omar Davulcu . . . 19208 1 2 Xiaogang Niu . . . 19208 1 3 Lei Bruschweiler-Li . . . 19208 1 4 Rafael Bruschweiler . . . 19208 1 5 Jack Skalicky . J. . 19208 1 6 Michael Chapman . S. . 19208 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19208 _Assembly.ID 1 _Assembly.Name 'Arginine kinase transition state analogue complex' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.3.3 _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 'Arginine kinase' 1 $Arginine_kinase A . yes native no no . . . 19208 1 2 ADP 2 $entity_ADP A . no native no no . . . 19208 1 3 Mg 3 $entity_MG A . no native no no . . . 19208 1 4 Arginine 4 $entity_ARG A . no native no no . . . 19208 1 5 Nitrate 5 $entity_NO3 A . no native no no . . . 19208 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1M15 . . X-ray 1.20 . . 19208 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Arginine_kinase _Entity.Sf_category entity _Entity.Sf_framecode Arginine_kinase _Entity.Entry_ID 19208 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Arginine_kinase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVDQATLDKLEAGFKKLQEA SDCKSLLKKHLTKDVFDSIK NKKTGMGATLLDVIQSGVEN LDSGVGIYAPDAESYRTFGP LFDPIIDDYHGGFKLTDKHP PKEWGDINTLVDLDPGGQFI ISTRVRCGRSLQGYPFNPCL TAEQYKEMEEKVSSTLSSME DELKGTYYPLTGMSKATQQQ LIDDHFLFKEGDRFLQTANA CRYWPTGRGIFHNDAKTFLV WVNEEDHLRIISMQKGGDLK TVYKRLVTAVDNIESKLPFS HDDRFGFLTFCPTNLGTTMR ASVHIQLPKLAKDRKVLEDI ASKFNLQVRGTRGEHTESEG GVYDISNKRRLGLTEYQAVR EMQDGILEMIKMEKAAA ; _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 357 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.3.3 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 42000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BG0 . "Transition State Structure Of Arginine Kinase" . . . . . 99.72 356 99.16 99.44 0.00e+00 . . . . 19208 1 2 no PDB 1M15 . "Transition State Structure Of Arginine Kinase" . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 19208 1 3 no PDB 1P50 . "Transition State Structure Of An Arginine Kinase Mutant" . . . . . 99.72 356 98.88 99.44 0.00e+00 . . . . 19208 1 4 no PDB 1P52 . "Structure Of Arginine Kinase E314d Mutant" . . . . . 100.00 357 99.16 99.72 0.00e+00 . . . . 19208 1 5 no PDB 1RL9 . "Crystal Structure Of Creatine-adp Arginine Kinase Ternary Complex" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 19208 1 6 no PDB 1SD0 . "Structure Of Arginine Kinase C271a Mutant" . . . . . 100.00 357 98.60 99.16 0.00e+00 . . . . 19208 1 7 no PDB 3M10 . "Substrate-Free Form Of Arginine Kinase" . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 19208 1 8 no PDB 4GVY . "Crystal Structure Of Arginine Kinase In Complex With L-Citrulline And Mgadp" . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 19208 1 9 no PDB 4GVZ . "Crystal Structure Of Arginine Kinase In Complex With D-Arginine, Mgadp, And Nitrate." . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 19208 1 10 no PDB 4GW0 . "Crystal Structure Of Arginine Kinase In Complex With Imino-L- Ornithine, Mgadp, And Nitrate." . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 19208 1 11 no PDB 4GW2 . "Crystal Structure Of Arginine Kinase In Complex With L-Ornithine, Mgadp, And Nitrate" . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 19208 1 12 no GB AAA82169 . "arginine kinase [Limulus polyphemus]" . . . . . 100.00 357 100.00 100.00 0.00e+00 . . . . 19208 1 13 no PRF 2104180A . "Arg kinase" . . . . . 100.00 357 100.00 100.00 0.00e+00 . . . . 19208 1 14 no REF NP_001301013 . "arginine kinase [Limulus polyphemus]" . . . . . 100.00 357 100.00 100.00 0.00e+00 . . . . 19208 1 15 no REF XP_013787786 . "PREDICTED: arginine kinase [Limulus polyphemus]" . . . . . 100.00 382 99.44 99.72 0.00e+00 . . . . 19208 1 16 no SP P51541 . "RecName: Full=Arginine kinase; Short=AK" . . . . . 100.00 357 100.00 100.00 0.00e+00 . . . . 19208 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19208 1 2 2 VAL . 19208 1 3 3 ASP . 19208 1 4 4 GLN . 19208 1 5 5 ALA . 19208 1 6 6 THR . 19208 1 7 7 LEU . 19208 1 8 8 ASP . 19208 1 9 9 LYS . 19208 1 10 10 LEU . 19208 1 11 11 GLU . 19208 1 12 12 ALA . 19208 1 13 13 GLY . 19208 1 14 14 PHE . 19208 1 15 15 LYS . 19208 1 16 16 LYS . 19208 1 17 17 LEU . 19208 1 18 18 GLN . 19208 1 19 19 GLU . 19208 1 20 20 ALA . 19208 1 21 21 SER . 19208 1 22 22 ASP . 19208 1 23 23 CYS . 19208 1 24 24 LYS . 19208 1 25 25 SER . 19208 1 26 26 LEU . 19208 1 27 27 LEU . 19208 1 28 28 LYS . 19208 1 29 29 LYS . 19208 1 30 30 HIS . 19208 1 31 31 LEU . 19208 1 32 32 THR . 19208 1 33 33 LYS . 19208 1 34 34 ASP . 19208 1 35 35 VAL . 19208 1 36 36 PHE . 19208 1 37 37 ASP . 19208 1 38 38 SER . 19208 1 39 39 ILE . 19208 1 40 40 LYS . 19208 1 41 41 ASN . 19208 1 42 42 LYS . 19208 1 43 43 LYS . 19208 1 44 44 THR . 19208 1 45 45 GLY . 19208 1 46 46 MET . 19208 1 47 47 GLY . 19208 1 48 48 ALA . 19208 1 49 49 THR . 19208 1 50 50 LEU . 19208 1 51 51 LEU . 19208 1 52 52 ASP . 19208 1 53 53 VAL . 19208 1 54 54 ILE . 19208 1 55 55 GLN . 19208 1 56 56 SER . 19208 1 57 57 GLY . 19208 1 58 58 VAL . 19208 1 59 59 GLU . 19208 1 60 60 ASN . 19208 1 61 61 LEU . 19208 1 62 62 ASP . 19208 1 63 63 SER . 19208 1 64 64 GLY . 19208 1 65 65 VAL . 19208 1 66 66 GLY . 19208 1 67 67 ILE . 19208 1 68 68 TYR . 19208 1 69 69 ALA . 19208 1 70 70 PRO . 19208 1 71 71 ASP . 19208 1 72 72 ALA . 19208 1 73 73 GLU . 19208 1 74 74 SER . 19208 1 75 75 TYR . 19208 1 76 76 ARG . 19208 1 77 77 THR . 19208 1 78 78 PHE . 19208 1 79 79 GLY . 19208 1 80 80 PRO . 19208 1 81 81 LEU . 19208 1 82 82 PHE . 19208 1 83 83 ASP . 19208 1 84 84 PRO . 19208 1 85 85 ILE . 19208 1 86 86 ILE . 19208 1 87 87 ASP . 19208 1 88 88 ASP . 19208 1 89 89 TYR . 19208 1 90 90 HIS . 19208 1 91 91 GLY . 19208 1 92 92 GLY . 19208 1 93 93 PHE . 19208 1 94 94 LYS . 19208 1 95 95 LEU . 19208 1 96 96 THR . 19208 1 97 97 ASP . 19208 1 98 98 LYS . 19208 1 99 99 HIS . 19208 1 100 100 PRO . 19208 1 101 101 PRO . 19208 1 102 102 LYS . 19208 1 103 103 GLU . 19208 1 104 104 TRP . 19208 1 105 105 GLY . 19208 1 106 106 ASP . 19208 1 107 107 ILE . 19208 1 108 108 ASN . 19208 1 109 109 THR . 19208 1 110 110 LEU . 19208 1 111 111 VAL . 19208 1 112 112 ASP . 19208 1 113 113 LEU . 19208 1 114 114 ASP . 19208 1 115 115 PRO . 19208 1 116 116 GLY . 19208 1 117 117 GLY . 19208 1 118 118 GLN . 19208 1 119 119 PHE . 19208 1 120 120 ILE . 19208 1 121 121 ILE . 19208 1 122 122 SER . 19208 1 123 123 THR . 19208 1 124 124 ARG . 19208 1 125 125 VAL . 19208 1 126 126 ARG . 19208 1 127 127 CYS . 19208 1 128 128 GLY . 19208 1 129 129 ARG . 19208 1 130 130 SER . 19208 1 131 131 LEU . 19208 1 132 132 GLN . 19208 1 133 133 GLY . 19208 1 134 134 TYR . 19208 1 135 135 PRO . 19208 1 136 136 PHE . 19208 1 137 137 ASN . 19208 1 138 138 PRO . 19208 1 139 139 CYS . 19208 1 140 140 LEU . 19208 1 141 141 THR . 19208 1 142 142 ALA . 19208 1 143 143 GLU . 19208 1 144 144 GLN . 19208 1 145 145 TYR . 19208 1 146 146 LYS . 19208 1 147 147 GLU . 19208 1 148 148 MET . 19208 1 149 149 GLU . 19208 1 150 150 GLU . 19208 1 151 151 LYS . 19208 1 152 152 VAL . 19208 1 153 153 SER . 19208 1 154 154 SER . 19208 1 155 155 THR . 19208 1 156 156 LEU . 19208 1 157 157 SER . 19208 1 158 158 SER . 19208 1 159 159 MET . 19208 1 160 160 GLU . 19208 1 161 161 ASP . 19208 1 162 162 GLU . 19208 1 163 163 LEU . 19208 1 164 164 LYS . 19208 1 165 165 GLY . 19208 1 166 166 THR . 19208 1 167 167 TYR . 19208 1 168 168 TYR . 19208 1 169 169 PRO . 19208 1 170 170 LEU . 19208 1 171 171 THR . 19208 1 172 172 GLY . 19208 1 173 173 MET . 19208 1 174 174 SER . 19208 1 175 175 LYS . 19208 1 176 176 ALA . 19208 1 177 177 THR . 19208 1 178 178 GLN . 19208 1 179 179 GLN . 19208 1 180 180 GLN . 19208 1 181 181 LEU . 19208 1 182 182 ILE . 19208 1 183 183 ASP . 19208 1 184 184 ASP . 19208 1 185 185 HIS . 19208 1 186 186 PHE . 19208 1 187 187 LEU . 19208 1 188 188 PHE . 19208 1 189 189 LYS . 19208 1 190 190 GLU . 19208 1 191 191 GLY . 19208 1 192 192 ASP . 19208 1 193 193 ARG . 19208 1 194 194 PHE . 19208 1 195 195 LEU . 19208 1 196 196 GLN . 19208 1 197 197 THR . 19208 1 198 198 ALA . 19208 1 199 199 ASN . 19208 1 200 200 ALA . 19208 1 201 201 CYS . 19208 1 202 202 ARG . 19208 1 203 203 TYR . 19208 1 204 204 TRP . 19208 1 205 205 PRO . 19208 1 206 206 THR . 19208 1 207 207 GLY . 19208 1 208 208 ARG . 19208 1 209 209 GLY . 19208 1 210 210 ILE . 19208 1 211 211 PHE . 19208 1 212 212 HIS . 19208 1 213 213 ASN . 19208 1 214 214 ASP . 19208 1 215 215 ALA . 19208 1 216 216 LYS . 19208 1 217 217 THR . 19208 1 218 218 PHE . 19208 1 219 219 LEU . 19208 1 220 220 VAL . 19208 1 221 221 TRP . 19208 1 222 222 VAL . 19208 1 223 223 ASN . 19208 1 224 224 GLU . 19208 1 225 225 GLU . 19208 1 226 226 ASP . 19208 1 227 227 HIS . 19208 1 228 228 LEU . 19208 1 229 229 ARG . 19208 1 230 230 ILE . 19208 1 231 231 ILE . 19208 1 232 232 SER . 19208 1 233 233 MET . 19208 1 234 234 GLN . 19208 1 235 235 LYS . 19208 1 236 236 GLY . 19208 1 237 237 GLY . 19208 1 238 238 ASP . 19208 1 239 239 LEU . 19208 1 240 240 LYS . 19208 1 241 241 THR . 19208 1 242 242 VAL . 19208 1 243 243 TYR . 19208 1 244 244 LYS . 19208 1 245 245 ARG . 19208 1 246 246 LEU . 19208 1 247 247 VAL . 19208 1 248 248 THR . 19208 1 249 249 ALA . 19208 1 250 250 VAL . 19208 1 251 251 ASP . 19208 1 252 252 ASN . 19208 1 253 253 ILE . 19208 1 254 254 GLU . 19208 1 255 255 SER . 19208 1 256 256 LYS . 19208 1 257 257 LEU . 19208 1 258 258 PRO . 19208 1 259 259 PHE . 19208 1 260 260 SER . 19208 1 261 261 HIS . 19208 1 262 262 ASP . 19208 1 263 263 ASP . 19208 1 264 264 ARG . 19208 1 265 265 PHE . 19208 1 266 266 GLY . 19208 1 267 267 PHE . 19208 1 268 268 LEU . 19208 1 269 269 THR . 19208 1 270 270 PHE . 19208 1 271 271 CYS . 19208 1 272 272 PRO . 19208 1 273 273 THR . 19208 1 274 274 ASN . 19208 1 275 275 LEU . 19208 1 276 276 GLY . 19208 1 277 277 THR . 19208 1 278 278 THR . 19208 1 279 279 MET . 19208 1 280 280 ARG . 19208 1 281 281 ALA . 19208 1 282 282 SER . 19208 1 283 283 VAL . 19208 1 284 284 HIS . 19208 1 285 285 ILE . 19208 1 286 286 GLN . 19208 1 287 287 LEU . 19208 1 288 288 PRO . 19208 1 289 289 LYS . 19208 1 290 290 LEU . 19208 1 291 291 ALA . 19208 1 292 292 LYS . 19208 1 293 293 ASP . 19208 1 294 294 ARG . 19208 1 295 295 LYS . 19208 1 296 296 VAL . 19208 1 297 297 LEU . 19208 1 298 298 GLU . 19208 1 299 299 ASP . 19208 1 300 300 ILE . 19208 1 301 301 ALA . 19208 1 302 302 SER . 19208 1 303 303 LYS . 19208 1 304 304 PHE . 19208 1 305 305 ASN . 19208 1 306 306 LEU . 19208 1 307 307 GLN . 19208 1 308 308 VAL . 19208 1 309 309 ARG . 19208 1 310 310 GLY . 19208 1 311 311 THR . 19208 1 312 312 ARG . 19208 1 313 313 GLY . 19208 1 314 314 GLU . 19208 1 315 315 HIS . 19208 1 316 316 THR . 19208 1 317 317 GLU . 19208 1 318 318 SER . 19208 1 319 319 GLU . 19208 1 320 320 GLY . 19208 1 321 321 GLY . 19208 1 322 322 VAL . 19208 1 323 323 TYR . 19208 1 324 324 ASP . 19208 1 325 325 ILE . 19208 1 326 326 SER . 19208 1 327 327 ASN . 19208 1 328 328 LYS . 19208 1 329 329 ARG . 19208 1 330 330 ARG . 19208 1 331 331 LEU . 19208 1 332 332 GLY . 19208 1 333 333 LEU . 19208 1 334 334 THR . 19208 1 335 335 GLU . 19208 1 336 336 TYR . 19208 1 337 337 GLN . 19208 1 338 338 ALA . 19208 1 339 339 VAL . 19208 1 340 340 ARG . 19208 1 341 341 GLU . 19208 1 342 342 MET . 19208 1 343 343 GLN . 19208 1 344 344 ASP . 19208 1 345 345 GLY . 19208 1 346 346 ILE . 19208 1 347 347 LEU . 19208 1 348 348 GLU . 19208 1 349 349 MET . 19208 1 350 350 ILE . 19208 1 351 351 LYS . 19208 1 352 352 MET . 19208 1 353 353 GLU . 19208 1 354 354 LYS . 19208 1 355 355 ALA . 19208 1 356 356 ALA . 19208 1 357 357 ALA . 19208 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19208 1 . VAL 2 2 19208 1 . ASP 3 3 19208 1 . GLN 4 4 19208 1 . ALA 5 5 19208 1 . THR 6 6 19208 1 . LEU 7 7 19208 1 . ASP 8 8 19208 1 . LYS 9 9 19208 1 . LEU 10 10 19208 1 . GLU 11 11 19208 1 . ALA 12 12 19208 1 . GLY 13 13 19208 1 . PHE 14 14 19208 1 . LYS 15 15 19208 1 . LYS 16 16 19208 1 . LEU 17 17 19208 1 . GLN 18 18 19208 1 . GLU 19 19 19208 1 . ALA 20 20 19208 1 . SER 21 21 19208 1 . ASP 22 22 19208 1 . CYS 23 23 19208 1 . LYS 24 24 19208 1 . SER 25 25 19208 1 . LEU 26 26 19208 1 . LEU 27 27 19208 1 . LYS 28 28 19208 1 . LYS 29 29 19208 1 . HIS 30 30 19208 1 . LEU 31 31 19208 1 . THR 32 32 19208 1 . LYS 33 33 19208 1 . ASP 34 34 19208 1 . VAL 35 35 19208 1 . PHE 36 36 19208 1 . ASP 37 37 19208 1 . SER 38 38 19208 1 . ILE 39 39 19208 1 . LYS 40 40 19208 1 . ASN 41 41 19208 1 . LYS 42 42 19208 1 . LYS 43 43 19208 1 . THR 44 44 19208 1 . GLY 45 45 19208 1 . MET 46 46 19208 1 . GLY 47 47 19208 1 . ALA 48 48 19208 1 . THR 49 49 19208 1 . LEU 50 50 19208 1 . LEU 51 51 19208 1 . ASP 52 52 19208 1 . VAL 53 53 19208 1 . ILE 54 54 19208 1 . GLN 55 55 19208 1 . SER 56 56 19208 1 . GLY 57 57 19208 1 . VAL 58 58 19208 1 . GLU 59 59 19208 1 . ASN 60 60 19208 1 . LEU 61 61 19208 1 . ASP 62 62 19208 1 . SER 63 63 19208 1 . GLY 64 64 19208 1 . VAL 65 65 19208 1 . GLY 66 66 19208 1 . ILE 67 67 19208 1 . TYR 68 68 19208 1 . ALA 69 69 19208 1 . PRO 70 70 19208 1 . ASP 71 71 19208 1 . ALA 72 72 19208 1 . GLU 73 73 19208 1 . SER 74 74 19208 1 . TYR 75 75 19208 1 . ARG 76 76 19208 1 . THR 77 77 19208 1 . PHE 78 78 19208 1 . GLY 79 79 19208 1 . PRO 80 80 19208 1 . LEU 81 81 19208 1 . PHE 82 82 19208 1 . ASP 83 83 19208 1 . PRO 84 84 19208 1 . ILE 85 85 19208 1 . ILE 86 86 19208 1 . ASP 87 87 19208 1 . ASP 88 88 19208 1 . TYR 89 89 19208 1 . HIS 90 90 19208 1 . GLY 91 91 19208 1 . GLY 92 92 19208 1 . PHE 93 93 19208 1 . LYS 94 94 19208 1 . LEU 95 95 19208 1 . THR 96 96 19208 1 . ASP 97 97 19208 1 . LYS 98 98 19208 1 . HIS 99 99 19208 1 . PRO 100 100 19208 1 . PRO 101 101 19208 1 . LYS 102 102 19208 1 . GLU 103 103 19208 1 . TRP 104 104 19208 1 . GLY 105 105 19208 1 . ASP 106 106 19208 1 . ILE 107 107 19208 1 . ASN 108 108 19208 1 . THR 109 109 19208 1 . LEU 110 110 19208 1 . VAL 111 111 19208 1 . ASP 112 112 19208 1 . LEU 113 113 19208 1 . ASP 114 114 19208 1 . PRO 115 115 19208 1 . GLY 116 116 19208 1 . GLY 117 117 19208 1 . GLN 118 118 19208 1 . PHE 119 119 19208 1 . ILE 120 120 19208 1 . ILE 121 121 19208 1 . SER 122 122 19208 1 . THR 123 123 19208 1 . ARG 124 124 19208 1 . VAL 125 125 19208 1 . ARG 126 126 19208 1 . CYS 127 127 19208 1 . GLY 128 128 19208 1 . ARG 129 129 19208 1 . SER 130 130 19208 1 . LEU 131 131 19208 1 . GLN 132 132 19208 1 . GLY 133 133 19208 1 . TYR 134 134 19208 1 . PRO 135 135 19208 1 . PHE 136 136 19208 1 . ASN 137 137 19208 1 . PRO 138 138 19208 1 . CYS 139 139 19208 1 . LEU 140 140 19208 1 . THR 141 141 19208 1 . ALA 142 142 19208 1 . GLU 143 143 19208 1 . GLN 144 144 19208 1 . TYR 145 145 19208 1 . LYS 146 146 19208 1 . GLU 147 147 19208 1 . MET 148 148 19208 1 . GLU 149 149 19208 1 . GLU 150 150 19208 1 . LYS 151 151 19208 1 . VAL 152 152 19208 1 . SER 153 153 19208 1 . SER 154 154 19208 1 . THR 155 155 19208 1 . LEU 156 156 19208 1 . SER 157 157 19208 1 . SER 158 158 19208 1 . MET 159 159 19208 1 . GLU 160 160 19208 1 . ASP 161 161 19208 1 . GLU 162 162 19208 1 . LEU 163 163 19208 1 . LYS 164 164 19208 1 . GLY 165 165 19208 1 . THR 166 166 19208 1 . TYR 167 167 19208 1 . TYR 168 168 19208 1 . PRO 169 169 19208 1 . LEU 170 170 19208 1 . THR 171 171 19208 1 . GLY 172 172 19208 1 . MET 173 173 19208 1 . SER 174 174 19208 1 . LYS 175 175 19208 1 . ALA 176 176 19208 1 . THR 177 177 19208 1 . GLN 178 178 19208 1 . GLN 179 179 19208 1 . GLN 180 180 19208 1 . LEU 181 181 19208 1 . ILE 182 182 19208 1 . ASP 183 183 19208 1 . ASP 184 184 19208 1 . HIS 185 185 19208 1 . PHE 186 186 19208 1 . LEU 187 187 19208 1 . PHE 188 188 19208 1 . LYS 189 189 19208 1 . GLU 190 190 19208 1 . GLY 191 191 19208 1 . ASP 192 192 19208 1 . ARG 193 193 19208 1 . PHE 194 194 19208 1 . LEU 195 195 19208 1 . GLN 196 196 19208 1 . THR 197 197 19208 1 . ALA 198 198 19208 1 . ASN 199 199 19208 1 . ALA 200 200 19208 1 . CYS 201 201 19208 1 . ARG 202 202 19208 1 . TYR 203 203 19208 1 . TRP 204 204 19208 1 . PRO 205 205 19208 1 . THR 206 206 19208 1 . GLY 207 207 19208 1 . ARG 208 208 19208 1 . GLY 209 209 19208 1 . ILE 210 210 19208 1 . PHE 211 211 19208 1 . HIS 212 212 19208 1 . ASN 213 213 19208 1 . ASP 214 214 19208 1 . ALA 215 215 19208 1 . LYS 216 216 19208 1 . THR 217 217 19208 1 . PHE 218 218 19208 1 . LEU 219 219 19208 1 . VAL 220 220 19208 1 . TRP 221 221 19208 1 . VAL 222 222 19208 1 . ASN 223 223 19208 1 . GLU 224 224 19208 1 . GLU 225 225 19208 1 . ASP 226 226 19208 1 . HIS 227 227 19208 1 . LEU 228 228 19208 1 . ARG 229 229 19208 1 . ILE 230 230 19208 1 . ILE 231 231 19208 1 . SER 232 232 19208 1 . MET 233 233 19208 1 . GLN 234 234 19208 1 . LYS 235 235 19208 1 . GLY 236 236 19208 1 . GLY 237 237 19208 1 . ASP 238 238 19208 1 . LEU 239 239 19208 1 . LYS 240 240 19208 1 . THR 241 241 19208 1 . VAL 242 242 19208 1 . TYR 243 243 19208 1 . LYS 244 244 19208 1 . ARG 245 245 19208 1 . LEU 246 246 19208 1 . VAL 247 247 19208 1 . THR 248 248 19208 1 . ALA 249 249 19208 1 . VAL 250 250 19208 1 . ASP 251 251 19208 1 . ASN 252 252 19208 1 . ILE 253 253 19208 1 . GLU 254 254 19208 1 . SER 255 255 19208 1 . LYS 256 256 19208 1 . LEU 257 257 19208 1 . PRO 258 258 19208 1 . PHE 259 259 19208 1 . SER 260 260 19208 1 . HIS 261 261 19208 1 . ASP 262 262 19208 1 . ASP 263 263 19208 1 . ARG 264 264 19208 1 . PHE 265 265 19208 1 . GLY 266 266 19208 1 . PHE 267 267 19208 1 . LEU 268 268 19208 1 . THR 269 269 19208 1 . PHE 270 270 19208 1 . CYS 271 271 19208 1 . PRO 272 272 19208 1 . THR 273 273 19208 1 . ASN 274 274 19208 1 . LEU 275 275 19208 1 . GLY 276 276 19208 1 . THR 277 277 19208 1 . THR 278 278 19208 1 . MET 279 279 19208 1 . ARG 280 280 19208 1 . ALA 281 281 19208 1 . SER 282 282 19208 1 . VAL 283 283 19208 1 . HIS 284 284 19208 1 . ILE 285 285 19208 1 . GLN 286 286 19208 1 . LEU 287 287 19208 1 . PRO 288 288 19208 1 . LYS 289 289 19208 1 . LEU 290 290 19208 1 . ALA 291 291 19208 1 . LYS 292 292 19208 1 . ASP 293 293 19208 1 . ARG 294 294 19208 1 . LYS 295 295 19208 1 . VAL 296 296 19208 1 . LEU 297 297 19208 1 . GLU 298 298 19208 1 . ASP 299 299 19208 1 . ILE 300 300 19208 1 . ALA 301 301 19208 1 . SER 302 302 19208 1 . LYS 303 303 19208 1 . PHE 304 304 19208 1 . ASN 305 305 19208 1 . LEU 306 306 19208 1 . GLN 307 307 19208 1 . VAL 308 308 19208 1 . ARG 309 309 19208 1 . GLY 310 310 19208 1 . THR 311 311 19208 1 . ARG 312 312 19208 1 . GLY 313 313 19208 1 . GLU 314 314 19208 1 . HIS 315 315 19208 1 . THR 316 316 19208 1 . GLU 317 317 19208 1 . SER 318 318 19208 1 . GLU 319 319 19208 1 . GLY 320 320 19208 1 . GLY 321 321 19208 1 . VAL 322 322 19208 1 . TYR 323 323 19208 1 . ASP 324 324 19208 1 . ILE 325 325 19208 1 . SER 326 326 19208 1 . ASN 327 327 19208 1 . LYS 328 328 19208 1 . ARG 329 329 19208 1 . ARG 330 330 19208 1 . LEU 331 331 19208 1 . GLY 332 332 19208 1 . LEU 333 333 19208 1 . THR 334 334 19208 1 . GLU 335 335 19208 1 . TYR 336 336 19208 1 . GLN 337 337 19208 1 . ALA 338 338 19208 1 . VAL 339 339 19208 1 . ARG 340 340 19208 1 . GLU 341 341 19208 1 . MET 342 342 19208 1 . GLN 343 343 19208 1 . ASP 344 344 19208 1 . GLY 345 345 19208 1 . ILE 346 346 19208 1 . LEU 347 347 19208 1 . GLU 348 348 19208 1 . MET 349 349 19208 1 . ILE 350 350 19208 1 . LYS 351 351 19208 1 . MET 352 352 19208 1 . GLU 353 353 19208 1 . LYS 354 354 19208 1 . ALA 355 355 19208 1 . ALA 356 356 19208 1 . ALA 357 357 19208 1 stop_ save_ save_entity_ADP _Entity.Sf_category entity _Entity.Sf_framecode entity_ADP _Entity.Entry_ID 19208 _Entity.ID 2 _Entity.BMRB_code ADP _Entity.Name ADENOSINE-5'-DIPHOSPHATE _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 ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 427.201 _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 ADENOSINE-5'-DIPHOSPHATE BMRB 19208 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 19208 2 ADP 'Three letter code' 19208 2 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 ADP $chem_comp_ADP 19208 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ADP C1' 19208 2 2 1 ADP C2 19208 2 3 1 ADP C2' 19208 2 4 1 ADP C3' 19208 2 5 1 ADP C4 19208 2 6 1 ADP C4' 19208 2 7 1 ADP C5 19208 2 8 1 ADP C5' 19208 2 9 1 ADP C6 19208 2 10 1 ADP C8 19208 2 11 1 ADP H1' 19208 2 12 1 ADP H2 19208 2 13 1 ADP H2' 19208 2 14 1 ADP H3' 19208 2 15 1 ADP H4' 19208 2 16 1 ADP H5'1 19208 2 17 1 ADP H5'2 19208 2 18 1 ADP H8 19208 2 19 1 ADP HN61 19208 2 20 1 ADP HN62 19208 2 21 1 ADP HO2' 19208 2 22 1 ADP HO3' 19208 2 23 1 ADP HOA2 19208 2 24 1 ADP HOB2 19208 2 25 1 ADP HOB3 19208 2 26 1 ADP N1 19208 2 27 1 ADP N3 19208 2 28 1 ADP N6 19208 2 29 1 ADP N7 19208 2 30 1 ADP N9 19208 2 31 1 ADP O1A 19208 2 32 1 ADP O1B 19208 2 33 1 ADP O2' 19208 2 34 1 ADP O2A 19208 2 35 1 ADP O2B 19208 2 36 1 ADP O3' 19208 2 37 1 ADP O3A 19208 2 38 1 ADP O3B 19208 2 39 1 ADP O4' 19208 2 40 1 ADP O5' 19208 2 41 1 ADP PA 19208 2 42 1 ADP PB 19208 2 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 19208 _Entity.ID 3 _Entity.BMRB_code MG _Entity.Name 'MAGNESIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _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 'MAGNESIUM ION' BMRB 19208 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 19208 3 MG 'Three letter code' 19208 3 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 MG $chem_comp_MG 19208 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 MG MG 19208 3 stop_ save_ save_entity_ARG _Entity.Sf_category entity _Entity.Sf_framecode entity_ARG _Entity.Entry_ID 19208 _Entity.ID 4 _Entity.BMRB_code ARG _Entity.Name ARGININE _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 ARG _Entity.Nonpolymer_comp_label $chem_comp_ARG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 175.209 _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 ARGININE BMRB 19208 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ARGININE BMRB 19208 4 ARG 'Three letter code' 19208 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 ARG $chem_comp_ARG 19208 4 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ARG C 19208 4 2 1 ARG CA 19208 4 3 1 ARG CB 19208 4 4 1 ARG CD 19208 4 5 1 ARG CG 19208 4 6 1 ARG CZ 19208 4 7 1 ARG H 19208 4 8 1 ARG H2 19208 4 9 1 ARG HA 19208 4 10 1 ARG HB2 19208 4 11 1 ARG HB3 19208 4 12 1 ARG HD2 19208 4 13 1 ARG HD3 19208 4 14 1 ARG HE 19208 4 15 1 ARG HG2 19208 4 16 1 ARG HG3 19208 4 17 1 ARG HH11 19208 4 18 1 ARG HH12 19208 4 19 1 ARG HH21 19208 4 20 1 ARG HH22 19208 4 21 1 ARG HXT 19208 4 22 1 ARG N 19208 4 23 1 ARG NE 19208 4 24 1 ARG NH1 19208 4 25 1 ARG NH2 19208 4 26 1 ARG O 19208 4 27 1 ARG OXT 19208 4 stop_ save_ save_entity_NO3 _Entity.Sf_category entity _Entity.Sf_framecode entity_NO3 _Entity.Entry_ID 19208 _Entity.ID 5 _Entity.BMRB_code NO3 _Entity.Name 'NITRATE ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID NO3 _Entity.Nonpolymer_comp_label $chem_comp_NO3 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 5 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 62.005 _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 'NITRATE ION' BMRB 19208 5 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'NITRATE ION' BMRB 19208 5 NO3 'Three letter code' 19208 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 NO3 $chem_comp_NO3 19208 5 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 NO3 N 19208 5 2 1 NO3 O1 19208 5 3 1 NO3 O2 19208 5 4 1 NO3 O3 19208 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 19208 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Arginine_kinase . 6850 organism . 'Limulus polyphemus' 'Atlantic horseshoe crab' . . Eukaryota Metazoa Limulus polyphemus . . . . . . . . . . . . . . . . . . . . . 19208 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 19208 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Arginine_kinase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-22b . . . . . . 19208 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 19208 _Chem_comp.ID ADP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADP _Chem_comp.PDB_code ADP _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 ADP _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 27 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 _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 A _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 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _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 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 19208 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19208 ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 19208 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 19208 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 19208 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 19208 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 19208 ADP 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 '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19208 ADP 'adenosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 19208 ADP 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 PB PB PB PB . P . . N 0 . . . 1 no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 19208 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 19208 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 19208 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 19208 ADP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 19208 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 19208 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 19208 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 19208 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 19208 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 19208 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 19208 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 19208 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 19208 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 19208 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 19208 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 19208 ADP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 19208 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 19208 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 19208 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 19208 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 19208 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 19208 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 19208 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 19208 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 19208 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 19208 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 19208 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 19208 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 19208 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 19208 ADP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 19208 ADP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 19208 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 19208 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 19208 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 19208 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 19208 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 19208 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 19208 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 19208 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 19208 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 19208 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 19208 ADP 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 . DOUB PB O1B no N 1 . 19208 ADP 2 . SING PB O2B no N 2 . 19208 ADP 3 . SING PB O3B no N 3 . 19208 ADP 4 . SING PB O3A no N 4 . 19208 ADP 5 . SING O2B HOB2 no N 5 . 19208 ADP 6 . SING O3B HOB3 no N 6 . 19208 ADP 7 . DOUB PA O1A no N 7 . 19208 ADP 8 . SING PA O2A no N 8 . 19208 ADP 9 . SING PA O3A no N 9 . 19208 ADP 10 . SING PA O5' no N 10 . 19208 ADP 11 . SING O2A HOA2 no N 11 . 19208 ADP 12 . SING O5' C5' no N 12 . 19208 ADP 13 . SING C5' C4' no N 13 . 19208 ADP 14 . SING C5' H5'1 no N 14 . 19208 ADP 15 . SING C5' H5'2 no N 15 . 19208 ADP 16 . SING C4' O4' no N 16 . 19208 ADP 17 . SING C4' C3' no N 17 . 19208 ADP 18 . SING C4' H4' no N 18 . 19208 ADP 19 . SING O4' C1' no N 19 . 19208 ADP 20 . SING C3' O3' no N 20 . 19208 ADP 21 . SING C3' C2' no N 21 . 19208 ADP 22 . SING C3' H3' no N 22 . 19208 ADP 23 . SING O3' HO3' no N 23 . 19208 ADP 24 . SING C2' O2' no N 24 . 19208 ADP 25 . SING C2' C1' no N 25 . 19208 ADP 26 . SING C2' H2' no N 26 . 19208 ADP 27 . SING O2' HO2' no N 27 . 19208 ADP 28 . SING C1' N9 no N 28 . 19208 ADP 29 . SING C1' H1' no N 29 . 19208 ADP 30 . SING N9 C8 yes N 30 . 19208 ADP 31 . SING N9 C4 yes N 31 . 19208 ADP 32 . DOUB C8 N7 yes N 32 . 19208 ADP 33 . SING C8 H8 no N 33 . 19208 ADP 34 . SING N7 C5 yes N 34 . 19208 ADP 35 . SING C5 C6 yes N 35 . 19208 ADP 36 . DOUB C5 C4 yes N 36 . 19208 ADP 37 . SING C6 N6 no N 37 . 19208 ADP 38 . DOUB C6 N1 yes N 38 . 19208 ADP 39 . SING N6 HN61 no N 39 . 19208 ADP 40 . SING N6 HN62 no N 40 . 19208 ADP 41 . SING N1 C2 yes N 41 . 19208 ADP 42 . DOUB C2 N3 yes N 42 . 19208 ADP 43 . SING C2 H2 no N 43 . 19208 ADP 44 . SING N3 C4 yes N 44 . 19208 ADP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 19208 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _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 MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 19208 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 19208 MG [Mg++] SMILES CACTVS 3.341 19208 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 19208 MG [Mg+2] SMILES ACDLabs 10.04 19208 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 19208 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19208 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 19208 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19208 MG 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 MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19208 MG stop_ save_ save_chem_comp_ARG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ARG _Chem_comp.Entry_ID 19208 _Chem_comp.ID ARG _Chem_comp.Provenance PDB _Chem_comp.Name ARGININE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code ARG _Chem_comp.PDB_code ARG _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 R _Chem_comp.Three_letter_code ARG _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1 _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H15 N4 O2' _Chem_comp.Formula_weight 175.209 _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 'OpenEye/OEToolkits V1.4.2' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CC(C(=O)O)N)CNC(=[NH2+])N SMILES 'OpenEye OEToolkits' 1.5.0 19208 ARG C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19208 ARG InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1 InChI InChI 1.03 19208 ARG N[C@@H](CCCNC(N)=[NH2+])C(O)=O SMILES_CANONICAL CACTVS 3.341 19208 ARG N[CH](CCCNC(N)=[NH2+])C(O)=O SMILES CACTVS 3.341 19208 ARG O=C(O)C(N)CCCN\C(=[NH2+])N SMILES ACDLabs 10.04 19208 ARG ODKSFYDXXFIFQN-BYPYZUCNSA-O InChIKey InChI 1.03 19208 ARG 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 amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium 'SYSTEMATIC NAME' ACDLabs 10.04 19208 ARG [amino-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19208 ARG 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 N N N N . N . . N 0 . . . 1 no no . . . . 69.812 . 14.685 . 89.810 . -0.469 1.110 -0.993 1 . 19208 ARG CA CA CA CA . C . . S 0 . . . 1 no no . . . . 70.052 . 14.573 . 91.280 . 0.004 2.294 -1.708 2 . 19208 ARG C C C C . C . . N 0 . . . 1 no no . . . . 71.542 . 14.389 . 91.604 . -0.907 2.521 -2.901 3 . 19208 ARG O O O O . O . . N 0 . . . 1 no no . . . . 72.354 . 14.342 . 90.659 . -1.827 1.789 -3.242 4 . 19208 ARG CB CB CB CB . C . . N 0 . . . 1 no no . . . . 69.227 . 13.419 . 91.854 . 1.475 2.150 -2.127 5 . 19208 ARG CG CG CG CG . C . . N 0 . . . 1 no no . . . . 67.722 . 13.607 . 91.686 . 1.745 1.017 -3.130 6 . 19208 ARG CD CD CD CD . C . . N 0 . . . 1 no no . . . . 66.952 . 12.344 . 92.045 . 3.210 0.954 -3.557 7 . 19208 ARG NE NE NE NE . N . . N 0 . . . 1 no no . . . . 67.307 . 11.224 . 91.178 . 4.071 0.726 -2.421 8 . 19208 ARG CZ CZ CZ CZ . C . . N 0 . . . 1 no no . . . . 66.932 . 9.966 . 91.380 . 5.469 0.624 -2.528 9 . 19208 ARG NH1 NH1 NH1 NH1 . N . . N 0 . . . 1 no no . . . . 66.176 . 9.651 . 92.421 . 6.259 0.404 -1.405 10 . 19208 ARG NH2 NH2 NH2 NH2 . N . . N 1 . . . 1 no no . . . . 67.344 . 9.015 . 90.554 . 6.078 0.744 -3.773 11 . 19208 ARG OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 71.901 . 14.320 . 92.798 . -0.588 3.659 -3.574 12 . 19208 ARG H H H H . H . . N 0 . . . 1 no no . . . . 68.822 . 14.807 . 89.594 . -0.058 0.903 -0.109 13 . 19208 ARG H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 70.205 . 13.888 . 89.308 . -1.024 0.452 -1.494 14 . 19208 ARG HA HA HA HA . H . . N 0 . . . 1 no no . . . . 69.728 . 15.528 . 91.756 . -0.103 3.152 -1.034 15 . 19208 ARG HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 69.554 . 12.445 . 91.420 . 2.086 1.988 -1.230 16 . 19208 ARG HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 69.486 . 13.241 . 92.923 . 1.814 3.099 -2.563 17 . 19208 ARG HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 67.355 . 14.485 . 92.266 . 1.136 1.170 -4.029 18 . 19208 ARG HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 67.468 . 13.958 . 90.658 . 1.447 0.054 -2.698 19 . 19208 ARG HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 67.083 . 12.081 . 93.120 . 3.348 0.133 -4.269 20 . 19208 ARG HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 65.851 . 12.525 . 92.042 . 3.505 1.880 -4.062 21 . 19208 ARG HE HE HE HE . H . . N 0 . . . 1 no no . . . . 68.324 . 11.220 . 91.100 . 3.674 0.627 -1.479 22 . 19208 ARG HH11 HH11 HH11 1HH1 . H . . N 0 . . . 0 no no . . . . 65.888 . 8.684 . 92.576 . 7.271 0.331 -1.484 23 . 19208 ARG HH12 HH12 HH12 2HH1 . H . . N 0 . . . 0 no no . . . . 65.339 . 10.234 . 92.397 . 5.858 0.307 -0.476 24 . 19208 ARG HH21 HH21 HH21 1HH2 . H . . N 0 . . . 0 no no . . . . 67.926 . 9.257 . 89.752 . 5.530 0.906 -4.614 25 . 19208 ARG HH22 HH22 HH22 2HH2 . H . . N 0 . . . 0 no no . . . . 67.056 . 8.048 . 90.709 . 7.088 0.675 -3.874 26 . 19208 ARG HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 72.822 . 14.206 . 92.998 . -1.149 3.855 -4.355 27 . 19208 ARG 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 N CA no N 1 . 19208 ARG 2 . SING N H no N 2 . 19208 ARG 3 . SING N H2 no N 3 . 19208 ARG 4 . SING CA C no N 4 . 19208 ARG 5 . SING CA CB no N 5 . 19208 ARG 6 . SING CA HA no N 6 . 19208 ARG 7 . DOUB C O no N 7 . 19208 ARG 8 . SING C OXT no N 8 . 19208 ARG 9 . SING CB CG no N 9 . 19208 ARG 10 . SING CB HB2 no N 10 . 19208 ARG 11 . SING CB HB3 no N 11 . 19208 ARG 12 . SING CG CD no N 12 . 19208 ARG 13 . SING CG HG2 no N 13 . 19208 ARG 14 . SING CG HG3 no N 14 . 19208 ARG 15 . SING CD NE no N 15 . 19208 ARG 16 . SING CD HD2 no N 16 . 19208 ARG 17 . SING CD HD3 no N 17 . 19208 ARG 18 . SING NE CZ no N 18 . 19208 ARG 19 . SING NE HE no N 19 . 19208 ARG 20 . SING CZ NH1 no N 20 . 19208 ARG 21 . DOUB CZ NH2 no N 21 . 19208 ARG 22 . SING NH1 HH11 no N 22 . 19208 ARG 23 . SING NH1 HH12 no N 23 . 19208 ARG 24 . SING NH2 HH21 no N 24 . 19208 ARG 25 . SING NH2 HH22 no N 25 . 19208 ARG 26 . SING OXT HXT no N 26 . 19208 ARG stop_ save_ save_chem_comp_NO3 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NO3 _Chem_comp.Entry_ID 19208 _Chem_comp.ID NO3 _Chem_comp.Provenance PDB _Chem_comp.Name 'NITRATE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NO3 _Chem_comp.PDB_code NO3 _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 NO3 _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/NO3/c2-1(3)4/q-1 _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 -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'N O3' _Chem_comp.Formula_weight 62.005 _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 'Corina V3.40' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3LZT _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/NO3/c2-1(3)4/q-1 InChI InChI 1.03 19208 NO3 NHNBFGGVMKEFGY-UHFFFAOYSA-N InChIKey InChI 1.03 19208 NO3 [N+](=O)([O-])[O-] SMILES 'OpenEye OEToolkits' 1.5.0 19208 NO3 [N+](=O)([O-])[O-] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19208 NO3 [O-][N+]([O-])=O SMILES ACDLabs 10.04 19208 NO3 [O-][N+]([O-])=O SMILES CACTVS 3.341 19208 NO3 [O-][N+]([O-])=O SMILES_CANONICAL CACTVS 3.341 19208 NO3 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 nitrate 'SYSTEMATIC NAME' ACDLabs 10.04 19208 NO3 nitrate 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19208 NO3 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 N N N N . N . . N 1 . . . 1 no no . . . . -7.529 . 9.878 . 13.873 . -0.000 0.000 -0.001 1 . 19208 NO3 O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -7.730 . 10.133 . 12.695 . -1.218 0.017 0.000 2 . 19208 NO3 O2 O2 O2 O2 . O . . N -1 . . . 1 no no . . . . -6.605 . 9.202 . 14.201 . 0.623 1.046 0.000 3 . 19208 NO3 O3 O3 O3 O3 . O . . N -1 . . . 1 no no . . . . -8.338 . 10.309 . 14.666 . 0.595 -1.063 0.000 4 . 19208 NO3 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 . DOUB N O1 no N 1 . 19208 NO3 2 . SING N O2 no N 2 . 19208 NO3 3 . SING N O3 no N 3 . 19208 NO3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Arginine_kinase_transition_state_analogue_complex _Sample.Sf_category sample _Sample.Sf_framecode Arginine_kinase_transition_state_analogue_complex _Sample.Entry_ID 19208 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'Arginine kinase' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Arginine_kinase . . 1.8 . . mM . . . . 19208 1 2 ADENOSINE-5'-DIPHOSPHATE 'natural abundance' . . 2 $entity_ADP . . 6.0 . . mM . . . . 19208 1 3 'MAGNESIUM ION' 'natural abundance' . . 3 $entity_MG . . 8.0 . . mM . . . . 19208 1 4 'NITRATE ION' 'natural abundance' . . 5 $entity_NO3 . . 20.0 . . mM . . . . 19208 1 5 ARGININE 'natural abundance' . . 4 $entity_ARG . . 60.0 . . mM . . . . 19208 1 6 DTT 'natural abundance' . . . . . . 1.0 . . mM . . . . 19208 1 7 'sodium azide' 'natural abundance' . . . . . . 200.0 . . uM . . . . 19208 1 8 imidazole [U-2H] . . . . . . 10.0 . . mM . . . . 19208 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19208 1 10 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19208 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 19208 _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 pH 6.5 . pH 19208 1 pressure 1 . atm 19208 1 temperature 298.0 . K 19208 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19208 _Software.ID 1 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19208 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19208 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19208 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19208 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19208 2 'peak picking' 19208 2 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 19208 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19208 _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 INOVA . 600 . . . 19208 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 19208 _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 $Arginine_kinase_transition_state_analogue_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19208 1 2 '3D HNCACB' no . . . . . . . . . . 1 $Arginine_kinase_transition_state_analogue_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19208 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $Arginine_kinase_transition_state_analogue_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19208 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $Arginine_kinase_transition_state_analogue_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19208 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $Arginine_kinase_transition_state_analogue_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19208 1 6 '3D HNCO' no . . . . . . . . . . 1 $Arginine_kinase_transition_state_analogue_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19208 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Arginine_kinase_transition_state_analogue_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19208 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 19208 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19208 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19208 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19208 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 19208 _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' . . . 19208 1 2 '3D HNCACB' . . . 19208 1 3 '3D HN(CO)CACB' . . . 19208 1 4 '3D HN(CO)CA' . . . 19208 1 5 '3D HN(CA)CO' . . . 19208 1 6 '3D HNCO' . . . 19208 1 7 '3D 1H-15N NOESY' . . . 19208 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 2 2 VAL C C 13 174.420 0.20 . 1 . . . . 2 VAL C . 19208 1 2 . 1 1 2 2 VAL CA C 13 60.971 0.20 . 1 . . . . 2 VAL CA . 19208 1 3 . 1 1 2 2 VAL CB C 13 32.909 0.20 . 1 . . . . 2 VAL CB . 19208 1 4 . 1 1 3 3 ASP H H 1 8.043 0.01 . 1 . . . . 3 ASP H . 19208 1 5 . 1 1 3 3 ASP C C 13 175.723 0.20 . 1 . . . . 3 ASP C . 19208 1 6 . 1 1 3 3 ASP CA C 13 53.336 0.20 . 1 . . . . 3 ASP CA . 19208 1 7 . 1 1 3 3 ASP CB C 13 41.032 0.20 . 1 . . . . 3 ASP CB . 19208 1 8 . 1 1 3 3 ASP N N 15 121.810 0.05 . 1 . . . . 3 ASP N . 19208 1 9 . 1 1 4 4 GLN H H 1 8.610 0.01 . 1 . . . . 4 GLN H . 19208 1 10 . 1 1 4 4 GLN C C 13 176.979 0.20 . 1 . . . . 4 GLN C . 19208 1 11 . 1 1 4 4 GLN CA C 13 57.958 0.20 . 1 . . . . 4 GLN CA . 19208 1 12 . 1 1 4 4 GLN CB C 13 27.778 0.20 . 1 . . . . 4 GLN CB . 19208 1 13 . 1 1 4 4 GLN N N 15 121.045 0.05 . 1 . . . . 4 GLN N . 19208 1 14 . 1 1 5 5 ALA H H 1 8.284 0.01 . 1 . . . . 5 ALA H . 19208 1 15 . 1 1 5 5 ALA C C 13 181.049 0.20 . 1 . . . . 5 ALA C . 19208 1 16 . 1 1 5 5 ALA CA C 13 54.755 0.20 . 1 . . . . 5 ALA CA . 19208 1 17 . 1 1 5 5 ALA CB C 13 16.911 0.20 . 1 . . . . 5 ALA CB . 19208 1 18 . 1 1 5 5 ALA N N 15 119.963 0.05 . 1 . . . . 5 ALA N . 19208 1 19 . 1 1 6 6 THR H H 1 7.755 0.01 . 1 . . . . 6 THR H . 19208 1 20 . 1 1 6 6 THR C C 13 176.247 0.20 . 1 . . . . 6 THR C . 19208 1 21 . 1 1 6 6 THR CA C 13 66.397 0.20 . 1 . . . . 6 THR CA . 19208 1 22 . 1 1 6 6 THR N N 15 116.848 0.05 . 1 . . . . 6 THR N . 19208 1 23 . 1 1 7 7 LEU H H 1 7.966 0.01 . 1 . . . . 7 LEU H . 19208 1 24 . 1 1 7 7 LEU C C 13 179.058 0.20 . 1 . . . . 7 LEU C . 19208 1 25 . 1 1 7 7 LEU CA C 13 58.014 0.20 . 1 . . . . 7 LEU CA . 19208 1 26 . 1 1 7 7 LEU CB C 13 39.982 0.20 . 1 . . . . 7 LEU CB . 19208 1 27 . 1 1 7 7 LEU N N 15 122.654 0.05 . 1 . . . . 7 LEU N . 19208 1 28 . 1 1 8 8 ASP H H 1 8.876 0.01 . 1 . . . . 8 ASP H . 19208 1 29 . 1 1 8 8 ASP C C 13 180.176 0.20 . 1 . . . . 8 ASP C . 19208 1 30 . 1 1 8 8 ASP CA C 13 57.233 0.20 . 1 . . . . 8 ASP CA . 19208 1 31 . 1 1 8 8 ASP CB C 13 39.033 0.20 . 1 . . . . 8 ASP CB . 19208 1 32 . 1 1 8 8 ASP N N 15 119.421 0.05 . 1 . . . . 8 ASP N . 19208 1 33 . 1 1 9 9 LYS H H 1 7.659 0.01 . 1 . . . . 9 LYS H . 19208 1 34 . 1 1 9 9 LYS C C 13 180.555 0.20 . 1 . . . . 9 LYS C . 19208 1 35 . 1 1 9 9 LYS CA C 13 59.020 0.20 . 1 . . . . 9 LYS CA . 19208 1 36 . 1 1 9 9 LYS CB C 13 32.253 0.20 . 1 . . . . 9 LYS CB . 19208 1 37 . 1 1 9 9 LYS N N 15 121.218 0.05 . 1 . . . . 9 LYS N . 19208 1 38 . 1 1 10 10 LEU H H 1 8.645 0.01 . 1 . . . . 10 LEU H . 19208 1 39 . 1 1 10 10 LEU C C 13 178.152 0.20 . 1 . . . . 10 LEU C . 19208 1 40 . 1 1 10 10 LEU CA C 13 57.712 0.20 . 1 . . . . 10 LEU CA . 19208 1 41 . 1 1 10 10 LEU CB C 13 41.422 0.20 . 1 . . . . 10 LEU CB . 19208 1 42 . 1 1 10 10 LEU N N 15 123.086 0.05 . 1 . . . . 10 LEU N . 19208 1 43 . 1 1 11 11 GLU H H 1 8.843 0.01 . 1 . . . . 11 GLU H . 19208 1 44 . 1 1 11 11 GLU C C 13 180.046 0.20 . 1 . . . . 11 GLU C . 19208 1 45 . 1 1 11 11 GLU CA C 13 58.956 0.20 . 1 . . . . 11 GLU CA . 19208 1 46 . 1 1 11 11 GLU CB C 13 27.877 0.20 . 1 . . . . 11 GLU CB . 19208 1 47 . 1 1 11 11 GLU N N 15 118.967 0.05 . 1 . . . . 11 GLU N . 19208 1 48 . 1 1 12 12 ALA H H 1 7.866 0.01 . 1 . . . . 12 ALA H . 19208 1 49 . 1 1 12 12 ALA C C 13 180.729 0.20 . 1 . . . . 12 ALA C . 19208 1 50 . 1 1 12 12 ALA CA C 13 54.403 0.20 . 1 . . . . 12 ALA CA . 19208 1 51 . 1 1 12 12 ALA CB C 13 17.072 0.20 . 1 . . . . 12 ALA CB . 19208 1 52 . 1 1 12 12 ALA N N 15 121.060 0.05 . 1 . . . . 12 ALA N . 19208 1 53 . 1 1 13 13 GLY H H 1 8.311 0.01 . 1 . . . . 13 GLY H . 19208 1 54 . 1 1 13 13 GLY C C 13 174.071 0.20 . 1 . . . . 13 GLY C . 19208 1 55 . 1 1 13 13 GLY CA C 13 46.999 0.20 . 1 . . . . 13 GLY CA . 19208 1 56 . 1 1 13 13 GLY N N 15 109.206 0.05 . 1 . . . . 13 GLY N . 19208 1 57 . 1 1 14 14 PHE H H 1 8.520 0.01 . 1 . . . . 14 PHE H . 19208 1 58 . 1 1 14 14 PHE C C 13 177.198 0.20 . 1 . . . . 14 PHE C . 19208 1 59 . 1 1 14 14 PHE CA C 13 61.541 0.20 . 1 . . . . 14 PHE CA . 19208 1 60 . 1 1 14 14 PHE CB C 13 38.301 0.20 . 1 . . . . 14 PHE CB . 19208 1 61 . 1 1 14 14 PHE N N 15 121.747 0.05 . 1 . . . . 14 PHE N . 19208 1 62 . 1 1 15 15 LYS H H 1 7.581 0.01 . 1 . . . . 15 LYS H . 19208 1 63 . 1 1 15 15 LYS C C 13 177.705 0.20 . 1 . . . . 15 LYS C . 19208 1 64 . 1 1 15 15 LYS CA C 13 59.040 0.20 . 1 . . . . 15 LYS CA . 19208 1 65 . 1 1 15 15 LYS CB C 13 31.548 0.20 . 1 . . . . 15 LYS CB . 19208 1 66 . 1 1 15 15 LYS N N 15 118.245 0.05 . 1 . . . . 15 LYS N . 19208 1 67 . 1 1 16 16 LYS H H 1 7.724 0.01 . 1 . . . . 16 LYS H . 19208 1 68 . 1 1 16 16 LYS C C 13 179.514 0.20 . 1 . . . . 16 LYS C . 19208 1 69 . 1 1 16 16 LYS CA C 13 58.876 0.20 . 1 . . . . 16 LYS CA . 19208 1 70 . 1 1 16 16 LYS CB C 13 31.675 0.20 . 1 . . . . 16 LYS CB . 19208 1 71 . 1 1 16 16 LYS N N 15 118.951 0.05 . 1 . . . . 16 LYS N . 19208 1 72 . 1 1 17 17 LEU H H 1 7.654 0.01 . 1 . . . . 17 LEU H . 19208 1 73 . 1 1 17 17 LEU C C 13 178.921 0.20 . 1 . . . . 17 LEU C . 19208 1 74 . 1 1 17 17 LEU CA C 13 57.221 0.20 . 1 . . . . 17 LEU CA . 19208 1 75 . 1 1 17 17 LEU CB C 13 41.377 0.20 . 1 . . . . 17 LEU CB . 19208 1 76 . 1 1 17 17 LEU N N 15 116.704 0.05 . 1 . . . . 17 LEU N . 19208 1 77 . 1 1 18 18 GLN H H 1 7.652 0.01 . 1 . . . . 18 GLN H . 19208 1 78 . 1 1 18 18 GLN C C 13 178.178 0.20 . 1 . . . . 18 GLN C . 19208 1 79 . 1 1 18 18 GLN CA C 13 57.524 0.20 . 1 . . . . 18 GLN CA . 19208 1 80 . 1 1 18 18 GLN CB C 13 27.320 0.20 . 1 . . . . 18 GLN CB . 19208 1 81 . 1 1 18 18 GLN N N 15 115.972 0.05 . 1 . . . . 18 GLN N . 19208 1 82 . 1 1 19 19 GLU H H 1 7.635 0.01 . 1 . . . . 19 GLU H . 19208 1 83 . 1 1 19 19 GLU C C 13 176.152 0.20 . 1 . . . . 19 GLU C . 19208 1 84 . 1 1 19 19 GLU CA C 13 56.110 0.20 . 1 . . . . 19 GLU CA . 19208 1 85 . 1 1 19 19 GLU CB C 13 28.875 0.20 . 1 . . . . 19 GLU CB . 19208 1 86 . 1 1 19 19 GLU N N 15 115.462 0.05 . 1 . . . . 19 GLU N . 19208 1 87 . 1 1 20 20 ALA H H 1 6.972 0.01 . 1 . . . . 20 ALA H . 19208 1 88 . 1 1 20 20 ALA C C 13 177.169 0.20 . 1 . . . . 20 ALA C . 19208 1 89 . 1 1 20 20 ALA CA C 13 50.776 0.20 . 1 . . . . 20 ALA CA . 19208 1 90 . 1 1 20 20 ALA CB C 13 17.422 0.20 . 1 . . . . 20 ALA CB . 19208 1 91 . 1 1 20 20 ALA N N 15 123.207 0.05 . 1 . . . . 20 ALA N . 19208 1 92 . 1 1 21 21 SER H H 1 8.053 0.01 . 1 . . . . 21 SER H . 19208 1 93 . 1 1 21 21 SER C C 13 175.021 0.20 . 1 . . . . 21 SER C . 19208 1 94 . 1 1 21 21 SER CA C 13 60.151 0.20 . 1 . . . . 21 SER CA . 19208 1 95 . 1 1 21 21 SER CB C 13 62.598 0.20 . 1 . . . . 21 SER CB . 19208 1 96 . 1 1 21 21 SER N N 15 120.536 0.05 . 1 . . . . 21 SER N . 19208 1 97 . 1 1 22 22 ASP H H 1 8.537 0.01 . 1 . . . . 22 ASP H . 19208 1 98 . 1 1 22 22 ASP C C 13 175.058 0.20 . 1 . . . . 22 ASP C . 19208 1 99 . 1 1 22 22 ASP CA C 13 52.972 0.20 . 1 . . . . 22 ASP CA . 19208 1 100 . 1 1 22 22 ASP CB C 13 39.556 0.20 . 1 . . . . 22 ASP CB . 19208 1 101 . 1 1 22 22 ASP N N 15 118.544 0.05 . 1 . . . . 22 ASP N . 19208 1 102 . 1 1 23 23 CYS H H 1 7.269 0.01 . 1 . . . . 23 CYS H . 19208 1 103 . 1 1 23 23 CYS C C 13 174.701 0.20 . 1 . . . . 23 CYS C . 19208 1 104 . 1 1 23 23 CYS CA C 13 59.137 0.20 . 1 . . . . 23 CYS CA . 19208 1 105 . 1 1 23 23 CYS CB C 13 27.106 0.20 . 1 . . . . 23 CYS CB . 19208 1 106 . 1 1 23 23 CYS N N 15 120.349 0.05 . 1 . . . . 23 CYS N . 19208 1 107 . 1 1 24 24 LYS H H 1 8.944 0.01 . 1 . . . . 24 LYS H . 19208 1 108 . 1 1 24 24 LYS C C 13 176.024 0.20 . 1 . . . . 24 LYS C . 19208 1 109 . 1 1 24 24 LYS CA C 13 54.308 0.20 . 1 . . . . 24 LYS CA . 19208 1 110 . 1 1 24 24 LYS CB C 13 31.588 0.20 . 1 . . . . 24 LYS CB . 19208 1 111 . 1 1 24 24 LYS N N 15 130.082 0.05 . 1 . . . . 24 LYS N . 19208 1 112 . 1 1 25 25 SER H H 1 7.669 0.01 . 1 . . . . 25 SER H . 19208 1 113 . 1 1 25 25 SER C C 13 175.908 0.20 . 1 . . . . 25 SER C . 19208 1 114 . 1 1 25 25 SER CA C 13 57.156 0.20 . 1 . . . . 25 SER CA . 19208 1 115 . 1 1 25 25 SER CB C 13 65.057 0.20 . 1 . . . . 25 SER CB . 19208 1 116 . 1 1 25 25 SER N N 15 117.349 0.05 . 1 . . . . 25 SER N . 19208 1 117 . 1 1 26 26 LEU H H 1 7.915 0.01 . 1 . . . . 26 LEU H . 19208 1 118 . 1 1 26 26 LEU C C 13 177.929 0.20 . 1 . . . . 26 LEU C . 19208 1 119 . 1 1 26 26 LEU CA C 13 57.153 0.20 . 1 . . . . 26 LEU CA . 19208 1 120 . 1 1 26 26 LEU CB C 13 40.896 0.20 . 1 . . . . 26 LEU CB . 19208 1 121 . 1 1 26 26 LEU N N 15 118.871 0.05 . 1 . . . . 26 LEU N . 19208 1 122 . 1 1 27 27 LEU H H 1 7.708 0.01 . 1 . . . . 27 LEU H . 19208 1 123 . 1 1 27 27 LEU C C 13 175.100 0.20 . 1 . . . . 27 LEU C . 19208 1 124 . 1 1 27 27 LEU CA C 13 58.005 0.20 . 1 . . . . 27 LEU CA . 19208 1 125 . 1 1 27 27 LEU CB C 13 40.430 0.20 . 1 . . . . 27 LEU CB . 19208 1 126 . 1 1 27 27 LEU N N 15 117.993 0.05 . 1 . . . . 27 LEU N . 19208 1 127 . 1 1 28 28 LYS H H 1 7.312 0.01 . 1 . . . . 28 LYS H . 19208 1 128 . 1 1 28 28 LYS C C 13 177.830 0.20 . 1 . . . . 28 LYS C . 19208 1 129 . 1 1 28 28 LYS CA C 13 58.148 0.20 . 1 . . . . 28 LYS CA . 19208 1 130 . 1 1 28 28 LYS CB C 13 31.680 0.20 . 1 . . . . 28 LYS CB . 19208 1 131 . 1 1 28 28 LYS N N 15 117.424 0.05 . 1 . . . . 28 LYS N . 19208 1 132 . 1 1 29 29 LYS H H 1 7.344 0.01 . 1 . . . . 29 LYS H . 19208 1 133 . 1 1 29 29 LYS C C 13 177.497 0.20 . 1 . . . . 29 LYS C . 19208 1 134 . 1 1 29 29 LYS CA C 13 58.490 0.20 . 1 . . . . 29 LYS CA . 19208 1 135 . 1 1 29 29 LYS CB C 13 32.932 0.20 . 1 . . . . 29 LYS CB . 19208 1 136 . 1 1 29 29 LYS N N 15 116.144 0.05 . 1 . . . . 29 LYS N . 19208 1 137 . 1 1 30 30 HIS H H 1 7.656 0.01 . 1 . . . . 30 HIS H . 19208 1 138 . 1 1 30 30 HIS C C 13 175.922 0.20 . 1 . . . . 30 HIS C . 19208 1 139 . 1 1 30 30 HIS CA C 13 56.871 0.20 . 1 . . . . 30 HIS CA . 19208 1 140 . 1 1 30 30 HIS CB C 13 31.699 0.20 . 1 . . . . 30 HIS CB . 19208 1 141 . 1 1 30 30 HIS N N 15 111.230 0.05 . 1 . . . . 30 HIS N . 19208 1 142 . 1 1 31 31 LEU H H 1 8.160 0.01 . 1 . . . . 31 LEU H . 19208 1 143 . 1 1 31 31 LEU C C 13 174.558 0.20 . 1 . . . . 31 LEU C . 19208 1 144 . 1 1 31 31 LEU CA C 13 52.548 0.20 . 1 . . . . 31 LEU CA . 19208 1 145 . 1 1 31 31 LEU CB C 13 38.059 0.20 . 1 . . . . 31 LEU CB . 19208 1 146 . 1 1 31 31 LEU N N 15 123.955 0.05 . 1 . . . . 31 LEU N . 19208 1 147 . 1 1 32 32 THR H H 1 7.216 0.01 . 1 . . . . 32 THR H . 19208 1 148 . 1 1 32 32 THR C C 13 175.321 0.20 . 1 . . . . 32 THR C . 19208 1 149 . 1 1 32 32 THR CA C 13 60.007 0.20 . 1 . . . . 32 THR CA . 19208 1 150 . 1 1 32 32 THR CB C 13 69.868 0.20 . 1 . . . . 32 THR CB . 19208 1 151 . 1 1 32 32 THR N N 15 113.835 0.05 . 1 . . . . 32 THR N . 19208 1 152 . 1 1 33 33 LYS H H 1 9.157 0.01 . 1 . . . . 33 LYS H . 19208 1 153 . 1 1 33 33 LYS C C 13 177.161 0.20 . 1 . . . . 33 LYS C . 19208 1 154 . 1 1 33 33 LYS CA C 13 59.275 0.20 . 1 . . . . 33 LYS CA . 19208 1 155 . 1 1 33 33 LYS CB C 13 31.185 0.20 . 1 . . . . 33 LYS CB . 19208 1 156 . 1 1 33 33 LYS N N 15 122.012 0.05 . 1 . . . . 33 LYS N . 19208 1 157 . 1 1 34 34 ASP H H 1 8.250 0.01 . 1 . . . . 34 ASP H . 19208 1 158 . 1 1 34 34 ASP C C 13 179.388 0.20 . 1 . . . . 34 ASP C . 19208 1 159 . 1 1 34 34 ASP CA C 13 56.685 0.20 . 1 . . . . 34 ASP CA . 19208 1 160 . 1 1 34 34 ASP CB C 13 39.653 0.20 . 1 . . . . 34 ASP CB . 19208 1 161 . 1 1 34 34 ASP N N 15 114.752 0.05 . 1 . . . . 34 ASP N . 19208 1 162 . 1 1 35 35 VAL H H 1 7.364 0.01 . 1 . . . . 35 VAL H . 19208 1 163 . 1 1 35 35 VAL C C 13 178.169 0.20 . 1 . . . . 35 VAL C . 19208 1 164 . 1 1 35 35 VAL CA C 13 66.309 0.20 . 1 . . . . 35 VAL CA . 19208 1 165 . 1 1 35 35 VAL CB C 13 31.300 0.20 . 1 . . . . 35 VAL CB . 19208 1 166 . 1 1 35 35 VAL N N 15 121.458 0.05 . 1 . . . . 35 VAL N . 19208 1 167 . 1 1 36 36 PHE H H 1 8.941 0.01 . 1 . . . . 36 PHE H . 19208 1 168 . 1 1 36 36 PHE C C 13 176.541 0.20 . 1 . . . . 36 PHE C . 19208 1 169 . 1 1 36 36 PHE CA C 13 61.033 0.20 . 1 . . . . 36 PHE CA . 19208 1 170 . 1 1 36 36 PHE CB C 13 38.956 0.20 . 1 . . . . 36 PHE CB . 19208 1 171 . 1 1 36 36 PHE N N 15 119.919 0.05 . 1 . . . . 36 PHE N . 19208 1 172 . 1 1 37 37 ASP H H 1 8.764 0.01 . 1 . . . . 37 ASP H . 19208 1 173 . 1 1 37 37 ASP C C 13 178.164 0.20 . 1 . . . . 37 ASP C . 19208 1 174 . 1 1 37 37 ASP CA C 13 56.794 0.20 . 1 . . . . 37 ASP CA . 19208 1 175 . 1 1 37 37 ASP CB C 13 38.783 0.20 . 1 . . . . 37 ASP CB . 19208 1 176 . 1 1 37 37 ASP N N 15 117.279 0.05 . 1 . . . . 37 ASP N . 19208 1 177 . 1 1 38 38 SER H H 1 7.516 0.01 . 1 . . . . 38 SER H . 19208 1 178 . 1 1 38 38 SER C C 13 176.171 0.20 . 1 . . . . 38 SER C . 19208 1 179 . 1 1 38 38 SER CA C 13 60.546 0.20 . 1 . . . . 38 SER CA . 19208 1 180 . 1 1 38 38 SER CB C 13 63.438 0.20 . 1 . . . . 38 SER CB . 19208 1 181 . 1 1 38 38 SER N N 15 113.403 0.05 . 1 . . . . 38 SER N . 19208 1 182 . 1 1 39 39 ILE H H 1 7.302 0.01 . 1 . . . . 39 ILE H . 19208 1 183 . 1 1 39 39 ILE C C 13 176.893 0.20 . 1 . . . . 39 ILE C . 19208 1 184 . 1 1 39 39 ILE CA C 13 61.192 0.20 . 1 . . . . 39 ILE CA . 19208 1 185 . 1 1 39 39 ILE CB C 13 38.583 0.20 . 1 . . . . 39 ILE CB . 19208 1 186 . 1 1 39 39 ILE N N 15 110.407 0.05 . 1 . . . . 39 ILE N . 19208 1 187 . 1 1 40 40 LYS H H 1 7.849 0.01 . 1 . . . . 40 LYS H . 19208 1 188 . 1 1 40 40 LYS C C 13 175.264 0.20 . 1 . . . . 40 LYS C . 19208 1 189 . 1 1 40 40 LYS CA C 13 58.769 0.20 . 1 . . . . 40 LYS CA . 19208 1 190 . 1 1 40 40 LYS CB C 13 29.658 0.20 . 1 . . . . 40 LYS CB . 19208 1 191 . 1 1 40 40 LYS N N 15 119.297 0.05 . 1 . . . . 40 LYS N . 19208 1 192 . 1 1 41 41 ASN H H 1 8.109 0.01 . 1 . . . . 41 ASN H . 19208 1 193 . 1 1 41 41 ASN C C 13 175.755 0.20 . 1 . . . . 41 ASN C . 19208 1 194 . 1 1 41 41 ASN CA C 13 52.718 0.20 . 1 . . . . 41 ASN CA . 19208 1 195 . 1 1 41 41 ASN CB C 13 38.838 0.20 . 1 . . . . 41 ASN CB . 19208 1 196 . 1 1 41 41 ASN N N 15 114.581 0.05 . 1 . . . . 41 ASN N . 19208 1 197 . 1 1 42 42 LYS H H 1 7.534 0.01 . 1 . . . . 42 LYS H . 19208 1 198 . 1 1 42 42 LYS C C 13 174.572 0.20 . 1 . . . . 42 LYS C . 19208 1 199 . 1 1 42 42 LYS CA C 13 56.257 0.20 . 1 . . . . 42 LYS CA . 19208 1 200 . 1 1 42 42 LYS CB C 13 33.167 0.20 . 1 . . . . 42 LYS CB . 19208 1 201 . 1 1 42 42 LYS N N 15 119.848 0.05 . 1 . . . . 42 LYS N . 19208 1 202 . 1 1 43 43 LYS H H 1 7.856 0.01 . 1 . . . . 43 LYS H . 19208 1 203 . 1 1 43 43 LYS C C 13 176.564 0.20 . 1 . . . . 43 LYS C . 19208 1 204 . 1 1 43 43 LYS CA C 13 54.090 0.20 . 1 . . . . 43 LYS CA . 19208 1 205 . 1 1 43 43 LYS CB C 13 35.645 0.20 . 1 . . . . 43 LYS CB . 19208 1 206 . 1 1 43 43 LYS N N 15 116.043 0.05 . 1 . . . . 43 LYS N . 19208 1 207 . 1 1 44 44 THR H H 1 8.883 0.01 . 1 . . . . 44 THR H . 19208 1 208 . 1 1 44 44 THR C C 13 177.856 0.20 . 1 . . . . 44 THR C . 19208 1 209 . 1 1 44 44 THR CA C 13 60.107 0.20 . 1 . . . . 44 THR CA . 19208 1 210 . 1 1 44 44 THR CB C 13 70.379 0.20 . 1 . . . . 44 THR CB . 19208 1 211 . 1 1 44 44 THR N N 15 113.691 0.05 . 1 . . . . 44 THR N . 19208 1 212 . 1 1 45 45 GLY H H 1 9.764 0.01 . 1 . . . . 45 GLY H . 19208 1 213 . 1 1 45 45 GLY C C 13 175.702 0.20 . 1 . . . . 45 GLY C . 19208 1 214 . 1 1 45 45 GLY CA C 13 46.307 0.20 . 1 . . . . 45 GLY CA . 19208 1 215 . 1 1 45 45 GLY N N 15 110.571 0.05 . 1 . . . . 45 GLY N . 19208 1 216 . 1 1 46 46 MET H H 1 7.463 0.01 . 1 . . . . 46 MET H . 19208 1 217 . 1 1 46 46 MET C C 13 176.321 0.20 . 1 . . . . 46 MET C . 19208 1 218 . 1 1 46 46 MET CA C 13 54.860 0.20 . 1 . . . . 46 MET CA . 19208 1 219 . 1 1 46 46 MET CB C 13 31.094 0.20 . 1 . . . . 46 MET CB . 19208 1 220 . 1 1 46 46 MET N N 15 116.547 0.05 . 1 . . . . 46 MET N . 19208 1 221 . 1 1 47 47 GLY H H 1 7.991 0.01 . 1 . . . . 47 GLY H . 19208 1 222 . 1 1 47 47 GLY C C 13 173.666 0.20 . 1 . . . . 47 GLY C . 19208 1 223 . 1 1 47 47 GLY CA C 13 44.479 0.20 . 1 . . . . 47 GLY CA . 19208 1 224 . 1 1 47 47 GLY N N 15 107.912 0.05 . 1 . . . . 47 GLY N . 19208 1 225 . 1 1 48 48 ALA H H 1 7.542 0.01 . 1 . . . . 48 ALA H . 19208 1 226 . 1 1 48 48 ALA C C 13 176.923 0.20 . 1 . . . . 48 ALA C . 19208 1 227 . 1 1 48 48 ALA CA C 13 51.864 0.20 . 1 . . . . 48 ALA CA . 19208 1 228 . 1 1 48 48 ALA CB C 13 18.238 0.20 . 1 . . . . 48 ALA CB . 19208 1 229 . 1 1 48 48 ALA N N 15 123.043 0.05 . 1 . . . . 48 ALA N . 19208 1 230 . 1 1 49 49 THR H H 1 9.321 0.01 . 1 . . . . 49 THR H . 19208 1 231 . 1 1 49 49 THR C C 13 175.676 0.20 . 1 . . . . 49 THR C . 19208 1 232 . 1 1 49 49 THR CA C 13 59.624 0.20 . 1 . . . . 49 THR CA . 19208 1 233 . 1 1 49 49 THR CB C 13 72.153 0.20 . 1 . . . . 49 THR CB . 19208 1 234 . 1 1 49 49 THR N N 15 111.366 0.05 . 1 . . . . 49 THR N . 19208 1 235 . 1 1 50 50 LEU H H 1 10.390 0.01 . 1 . . . . 50 LEU H . 19208 1 236 . 1 1 50 50 LEU C C 13 178.892 0.20 . 1 . . . . 50 LEU C . 19208 1 237 . 1 1 50 50 LEU CA C 13 55.508 0.20 . 1 . . . . 50 LEU CA . 19208 1 238 . 1 1 50 50 LEU CB C 13 39.249 0.20 . 1 . . . . 50 LEU CB . 19208 1 239 . 1 1 50 50 LEU N N 15 119.518 0.05 . 1 . . . . 50 LEU N . 19208 1 240 . 1 1 51 51 LEU H H 1 7.706 0.01 . 1 . . . . 51 LEU H . 19208 1 241 . 1 1 51 51 LEU C C 13 176.943 0.20 . 1 . . . . 51 LEU C . 19208 1 242 . 1 1 51 51 LEU CA C 13 56.982 0.20 . 1 . . . . 51 LEU CA . 19208 1 243 . 1 1 51 51 LEU CB C 13 40.745 0.20 . 1 . . . . 51 LEU CB . 19208 1 244 . 1 1 51 51 LEU N N 15 119.286 0.05 . 1 . . . . 51 LEU N . 19208 1 245 . 1 1 52 52 ASP H H 1 6.871 0.01 . 1 . . . . 52 ASP H . 19208 1 246 . 1 1 52 52 ASP C C 13 176.904 0.20 . 1 . . . . 52 ASP C . 19208 1 247 . 1 1 52 52 ASP CA C 13 56.741 0.20 . 1 . . . . 52 ASP CA . 19208 1 248 . 1 1 52 52 ASP CB C 13 40.865 0.20 . 1 . . . . 52 ASP CB . 19208 1 249 . 1 1 52 52 ASP N N 15 115.613 0.05 . 1 . . . . 52 ASP N . 19208 1 250 . 1 1 53 53 VAL H H 1 6.853 0.01 . 1 . . . . 53 VAL H . 19208 1 251 . 1 1 53 53 VAL C C 13 179.787 0.20 . 1 . . . . 53 VAL C . 19208 1 252 . 1 1 53 53 VAL CA C 13 63.288 0.20 . 1 . . . . 53 VAL CA . 19208 1 253 . 1 1 53 53 VAL CB C 13 31.826 0.20 . 1 . . . . 53 VAL CB . 19208 1 254 . 1 1 53 53 VAL N N 15 117.503 0.05 . 1 . . . . 53 VAL N . 19208 1 255 . 1 1 54 54 ILE H H 1 7.654 0.01 . 1 . . . . 54 ILE H . 19208 1 256 . 1 1 54 54 ILE C C 13 177.237 0.20 . 1 . . . . 54 ILE C . 19208 1 257 . 1 1 54 54 ILE CA C 13 61.539 0.20 . 1 . . . . 54 ILE CA . 19208 1 258 . 1 1 54 54 ILE CB C 13 38.932 0.20 . 1 . . . . 54 ILE CB . 19208 1 259 . 1 1 54 54 ILE N N 15 109.210 0.05 . 1 . . . . 54 ILE N . 19208 1 260 . 1 1 55 55 GLN H H 1 8.088 0.01 . 1 . . . . 55 GLN H . 19208 1 261 . 1 1 55 55 GLN C C 13 177.331 0.20 . 1 . . . . 55 GLN C . 19208 1 262 . 1 1 55 55 GLN CA C 13 59.855 0.20 . 1 . . . . 55 GLN CA . 19208 1 263 . 1 1 55 55 GLN CB C 13 26.784 0.20 . 1 . . . . 55 GLN CB . 19208 1 264 . 1 1 55 55 GLN N N 15 121.295 0.05 . 1 . . . . 55 GLN N . 19208 1 265 . 1 1 56 56 SER H H 1 8.817 0.01 . 1 . . . . 56 SER H . 19208 1 266 . 1 1 56 56 SER C C 13 177.425 0.20 . 1 . . . . 56 SER C . 19208 1 267 . 1 1 56 56 SER CA C 13 60.057 0.20 . 1 . . . . 56 SER CA . 19208 1 268 . 1 1 56 56 SER CB C 13 62.670 0.20 . 1 . . . . 56 SER CB . 19208 1 269 . 1 1 56 56 SER N N 15 111.743 0.05 . 1 . . . . 56 SER N . 19208 1 270 . 1 1 57 57 GLY H H 1 7.379 0.01 . 1 . . . . 57 GLY H . 19208 1 271 . 1 1 57 57 GLY C C 13 173.982 0.20 . 1 . . . . 57 GLY C . 19208 1 272 . 1 1 57 57 GLY CA C 13 45.926 0.20 . 1 . . . . 57 GLY CA . 19208 1 273 . 1 1 57 57 GLY N N 15 108.156 0.05 . 1 . . . . 57 GLY N . 19208 1 274 . 1 1 58 58 VAL H H 1 7.400 0.01 . 1 . . . . 58 VAL H . 19208 1 275 . 1 1 58 58 VAL C C 13 176.399 0.20 . 1 . . . . 58 VAL C . 19208 1 276 . 1 1 58 58 VAL CA C 13 64.265 0.20 . 1 . . . . 58 VAL CA . 19208 1 277 . 1 1 58 58 VAL CB C 13 31.338 0.20 . 1 . . . . 58 VAL CB . 19208 1 278 . 1 1 58 58 VAL N N 15 119.502 0.05 . 1 . . . . 58 VAL N . 19208 1 279 . 1 1 59 59 GLU H H 1 7.851 0.01 . 1 . . . . 59 GLU H . 19208 1 280 . 1 1 59 59 GLU C C 13 176.452 0.20 . 1 . . . . 59 GLU C . 19208 1 281 . 1 1 59 59 GLU CA C 13 56.733 0.20 . 1 . . . . 59 GLU CA . 19208 1 282 . 1 1 59 59 GLU CB C 13 29.103 0.20 . 1 . . . . 59 GLU CB . 19208 1 283 . 1 1 59 59 GLU N N 15 114.278 0.05 . 1 . . . . 59 GLU N . 19208 1 284 . 1 1 60 60 ASN H H 1 7.429 0.01 . 1 . . . . 60 ASN H . 19208 1 285 . 1 1 60 60 ASN CA C 13 50.398 0.20 . 1 . . . . 60 ASN CA . 19208 1 286 . 1 1 60 60 ASN CB C 13 38.165 0.20 . 1 . . . . 60 ASN CB . 19208 1 287 . 1 1 60 60 ASN N N 15 114.316 0.05 . 1 . . . . 60 ASN N . 19208 1 288 . 1 1 61 61 LEU C C 13 177.012 0.20 . 1 . . . . 61 LEU C . 19208 1 289 . 1 1 61 61 LEU CA C 13 57.195 0.20 . 1 . . . . 61 LEU CA . 19208 1 290 . 1 1 61 61 LEU CB C 13 40.441 0.20 . 1 . . . . 61 LEU CB . 19208 1 291 . 1 1 62 62 ASP H H 1 9.037 0.01 . 1 . . . . 62 ASP H . 19208 1 292 . 1 1 62 62 ASP C C 13 175.166 0.20 . 1 . . . . 62 ASP C . 19208 1 293 . 1 1 62 62 ASP CA C 13 53.219 0.20 . 1 . . . . 62 ASP CA . 19208 1 294 . 1 1 62 62 ASP CB C 13 37.362 0.20 . 1 . . . . 62 ASP CB . 19208 1 295 . 1 1 62 62 ASP N N 15 115.247 0.05 . 1 . . . . 62 ASP N . 19208 1 296 . 1 1 63 63 SER H H 1 7.444 0.01 . 1 . . . . 63 SER H . 19208 1 297 . 1 1 63 63 SER C C 13 172.684 0.20 . 1 . . . . 63 SER C . 19208 1 298 . 1 1 63 63 SER CA C 13 60.194 0.20 . 1 . . . . 63 SER CA . 19208 1 299 . 1 1 63 63 SER CB C 13 63.565 0.20 . 1 . . . . 63 SER CB . 19208 1 300 . 1 1 63 63 SER N N 15 115.820 0.05 . 1 . . . . 63 SER N . 19208 1 301 . 1 1 64 64 GLY H H 1 10.186 0.01 . 1 . . . . 64 GLY H . 19208 1 302 . 1 1 64 64 GLY C C 13 175.862 0.20 . 1 . . . . 64 GLY C . 19208 1 303 . 1 1 64 64 GLY CA C 13 45.419 0.20 . 1 . . . . 64 GLY CA . 19208 1 304 . 1 1 64 64 GLY N N 15 112.719 0.05 . 1 . . . . 64 GLY N . 19208 1 305 . 1 1 65 65 VAL H H 1 9.823 0.01 . 1 . . . . 65 VAL H . 19208 1 306 . 1 1 65 65 VAL C C 13 175.638 0.20 . 1 . . . . 65 VAL C . 19208 1 307 . 1 1 65 65 VAL CA C 13 64.804 0.20 . 1 . . . . 65 VAL CA . 19208 1 308 . 1 1 65 65 VAL CB C 13 31.156 0.20 . 1 . . . . 65 VAL CB . 19208 1 309 . 1 1 65 65 VAL N N 15 125.457 0.05 . 1 . . . . 65 VAL N . 19208 1 310 . 1 1 66 66 GLY H H 1 7.921 0.01 . 1 . . . . 66 GLY H . 19208 1 311 . 1 1 66 66 GLY C C 13 170.704 0.20 . 1 . . . . 66 GLY C . 19208 1 312 . 1 1 66 66 GLY CA C 13 44.551 0.20 . 1 . . . . 66 GLY CA . 19208 1 313 . 1 1 66 66 GLY N N 15 101.715 0.05 . 1 . . . . 66 GLY N . 19208 1 314 . 1 1 67 67 ILE H H 1 6.041 0.01 . 1 . . . . 67 ILE H . 19208 1 315 . 1 1 67 67 ILE C C 13 172.429 0.20 . 1 . . . . 67 ILE C . 19208 1 316 . 1 1 67 67 ILE CA C 13 56.810 0.20 . 1 . . . . 67 ILE CA . 19208 1 317 . 1 1 67 67 ILE CB C 13 40.259 0.20 . 1 . . . . 67 ILE CB . 19208 1 318 . 1 1 67 67 ILE N N 15 103.889 0.05 . 1 . . . . 67 ILE N . 19208 1 319 . 1 1 68 68 TYR H H 1 7.890 0.01 . 1 . . . . 68 TYR H . 19208 1 320 . 1 1 68 68 TYR C C 13 172.775 0.20 . 1 . . . . 68 TYR C . 19208 1 321 . 1 1 68 68 TYR N N 15 116.615 0.05 . 1 . . . . 68 TYR N . 19208 1 322 . 1 1 69 69 ALA H H 1 8.691 0.01 . 1 . . . . 69 ALA H . 19208 1 323 . 1 1 69 69 ALA N N 15 121.891 0.05 . 1 . . . . 69 ALA N . 19208 1 324 . 1 1 70 70 PRO C C 13 174.582 0.20 . 1 . . . . 70 PRO C . 19208 1 325 . 1 1 71 71 ASP H H 1 7.443 0.01 . 1 . . . . 71 ASP H . 19208 1 326 . 1 1 71 71 ASP C C 13 175.257 0.20 . 1 . . . . 71 ASP C . 19208 1 327 . 1 1 71 71 ASP CA C 13 51.409 0.20 . 1 . . . . 71 ASP CA . 19208 1 328 . 1 1 71 71 ASP CB C 13 41.480 0.20 . 1 . . . . 71 ASP CB . 19208 1 329 . 1 1 71 71 ASP N N 15 108.680 0.05 . 1 . . . . 71 ASP N . 19208 1 330 . 1 1 72 72 ALA H H 1 8.518 0.01 . 1 . . . . 72 ALA H . 19208 1 331 . 1 1 72 72 ALA C C 13 180.724 0.20 . 1 . . . . 72 ALA C . 19208 1 332 . 1 1 72 72 ALA CA C 13 55.108 0.20 . 1 . . . . 72 ALA CA . 19208 1 333 . 1 1 72 72 ALA CB C 13 17.434 0.20 . 1 . . . . 72 ALA CB . 19208 1 334 . 1 1 72 72 ALA N N 15 121.041 0.05 . 1 . . . . 72 ALA N . 19208 1 335 . 1 1 73 73 GLU H H 1 8.016 0.01 . 1 . . . . 73 GLU H . 19208 1 336 . 1 1 73 73 GLU C C 13 178.404 0.20 . 1 . . . . 73 GLU C . 19208 1 337 . 1 1 73 73 GLU CA C 13 57.962 0.20 . 1 . . . . 73 GLU CA . 19208 1 338 . 1 1 73 73 GLU CB C 13 28.852 0.20 . 1 . . . . 73 GLU CB . 19208 1 339 . 1 1 73 73 GLU N N 15 119.011 0.05 . 1 . . . . 73 GLU N . 19208 1 340 . 1 1 74 74 SER H H 1 8.547 0.01 . 1 . . . . 74 SER H . 19208 1 341 . 1 1 74 74 SER CA C 13 64.006 0.20 . 1 . . . . 74 SER CA . 19208 1 342 . 1 1 74 74 SER N N 15 116.859 0.05 . 1 . . . . 74 SER N . 19208 1 343 . 1 1 75 75 TYR H H 1 6.741 0.01 . 1 . . . . 75 TYR H . 19208 1 344 . 1 1 75 75 TYR C C 13 176.034 0.20 . 1 . . . . 75 TYR C . 19208 1 345 . 1 1 75 75 TYR CA C 13 62.581 0.20 . 1 . . . . 75 TYR CA . 19208 1 346 . 1 1 75 75 TYR CB C 13 37.563 0.20 . 1 . . . . 75 TYR CB . 19208 1 347 . 1 1 75 75 TYR N N 15 116.248 0.05 . 1 . . . . 75 TYR N . 19208 1 348 . 1 1 76 76 ARG H H 1 7.568 0.01 . 1 . . . . 76 ARG H . 19208 1 349 . 1 1 76 76 ARG C C 13 179.850 0.20 . 1 . . . . 76 ARG C . 19208 1 350 . 1 1 76 76 ARG CA C 13 57.439 0.20 . 1 . . . . 76 ARG CA . 19208 1 351 . 1 1 76 76 ARG CB C 13 29.976 0.20 . 1 . . . . 76 ARG CB . 19208 1 352 . 1 1 76 76 ARG N N 15 114.047 0.05 . 1 . . . . 76 ARG N . 19208 1 353 . 1 1 77 77 THR H H 1 8.919 0.01 . 1 . . . . 77 THR H . 19208 1 354 . 1 1 77 77 THR C C 13 174.202 0.20 . 1 . . . . 77 THR C . 19208 1 355 . 1 1 77 77 THR CA C 13 66.889 0.20 . 1 . . . . 77 THR CA . 19208 1 356 . 1 1 77 77 THR CB C 13 68.146 0.20 . 1 . . . . 77 THR CB . 19208 1 357 . 1 1 77 77 THR N N 15 122.212 0.05 . 1 . . . . 77 THR N . 19208 1 358 . 1 1 78 78 PHE H H 1 7.929 0.01 . 1 . . . . 78 PHE H . 19208 1 359 . 1 1 78 78 PHE C C 13 176.075 0.20 . 1 . . . . 78 PHE C . 19208 1 360 . 1 1 78 78 PHE CA C 13 54.651 0.20 . 1 . . . . 78 PHE CA . 19208 1 361 . 1 1 78 78 PHE CB C 13 35.799 0.20 . 1 . . . . 78 PHE CB . 19208 1 362 . 1 1 78 78 PHE N N 15 113.848 0.05 . 1 . . . . 78 PHE N . 19208 1 363 . 1 1 79 79 GLY H H 1 7.700 0.01 . 1 . . . . 79 GLY H . 19208 1 364 . 1 1 79 79 GLY C C 13 171.639 0.20 . 1 . . . . 79 GLY C . 19208 1 365 . 1 1 79 79 GLY CA C 13 48.768 0.20 . 1 . . . . 79 GLY CA . 19208 1 366 . 1 1 79 79 GLY N N 15 112.920 0.05 . 1 . . . . 79 GLY N . 19208 1 367 . 1 1 80 80 PRO C C 13 174.950 0.20 . 1 . . . . 80 PRO C . 19208 1 368 . 1 1 80 80 PRO CA C 13 64.947 0.20 . 1 . . . . 80 PRO CA . 19208 1 369 . 1 1 80 80 PRO CB C 13 31.385 0.20 . 1 . . . . 80 PRO CB . 19208 1 370 . 1 1 81 81 LEU H H 1 7.539 0.01 . 1 . . . . 81 LEU H . 19208 1 371 . 1 1 81 81 LEU C C 13 176.001 0.20 . 1 . . . . 81 LEU C . 19208 1 372 . 1 1 81 81 LEU CA C 13 54.578 0.20 . 1 . . . . 81 LEU CA . 19208 1 373 . 1 1 81 81 LEU CB C 13 43.968 0.20 . 1 . . . . 81 LEU CB . 19208 1 374 . 1 1 81 81 LEU N N 15 111.768 0.05 . 1 . . . . 81 LEU N . 19208 1 375 . 1 1 82 82 PHE H H 1 7.861 0.01 . 1 . . . . 82 PHE H . 19208 1 376 . 1 1 82 82 PHE C C 13 177.229 0.20 . 1 . . . . 82 PHE C . 19208 1 377 . 1 1 82 82 PHE CA C 13 63.448 0.20 . 1 . . . . 82 PHE CA . 19208 1 378 . 1 1 82 82 PHE CB C 13 39.479 0.20 . 1 . . . . 82 PHE CB . 19208 1 379 . 1 1 82 82 PHE N N 15 114.305 0.05 . 1 . . . . 82 PHE N . 19208 1 380 . 1 1 83 83 ASP H H 1 10.027 0.01 . 1 . . . . 83 ASP H . 19208 1 381 . 1 1 83 83 ASP C C 13 177.562 0.20 . 1 . . . . 83 ASP C . 19208 1 382 . 1 1 83 83 ASP CA C 13 59.913 0.20 . 1 . . . . 83 ASP CA . 19208 1 383 . 1 1 83 83 ASP CB C 13 36.586 0.20 . 1 . . . . 83 ASP CB . 19208 1 384 . 1 1 83 83 ASP N N 15 117.752 0.05 . 1 . . . . 83 ASP N . 19208 1 385 . 1 1 84 84 PRO C C 13 179.517 0.20 . 1 . . . . 84 PRO C . 19208 1 386 . 1 1 84 84 PRO CA C 13 64.868 0.20 . 1 . . . . 84 PRO CA . 19208 1 387 . 1 1 84 84 PRO CB C 13 29.550 0.20 . 1 . . . . 84 PRO CB . 19208 1 388 . 1 1 85 85 ILE H H 1 6.500 0.01 . 1 . . . . 85 ILE H . 19208 1 389 . 1 1 85 85 ILE C C 13 176.475 0.20 . 1 . . . . 85 ILE C . 19208 1 390 . 1 1 85 85 ILE CA C 13 66.274 0.20 . 1 . . . . 85 ILE CA . 19208 1 391 . 1 1 85 85 ILE CB C 13 36.343 0.20 . 1 . . . . 85 ILE CB . 19208 1 392 . 1 1 85 85 ILE N N 15 119.547 0.05 . 1 . . . . 85 ILE N . 19208 1 393 . 1 1 86 86 ILE H H 1 8.848 0.01 . 1 . . . . 86 ILE H . 19208 1 394 . 1 1 86 86 ILE C C 13 177.099 0.20 . 1 . . . . 86 ILE C . 19208 1 395 . 1 1 86 86 ILE CA C 13 66.162 0.20 . 1 . . . . 86 ILE CA . 19208 1 396 . 1 1 86 86 ILE CB C 13 37.374 0.20 . 1 . . . . 86 ILE CB . 19208 1 397 . 1 1 86 86 ILE N N 15 121.409 0.05 . 1 . . . . 86 ILE N . 19208 1 398 . 1 1 87 87 ASP H H 1 7.810 0.01 . 1 . . . . 87 ASP H . 19208 1 399 . 1 1 87 87 ASP C C 13 176.954 0.20 . 1 . . . . 87 ASP C . 19208 1 400 . 1 1 87 87 ASP CA C 13 56.813 0.20 . 1 . . . . 87 ASP CA . 19208 1 401 . 1 1 87 87 ASP CB C 13 42.050 0.20 . 1 . . . . 87 ASP CB . 19208 1 402 . 1 1 87 87 ASP N N 15 117.700 0.05 . 1 . . . . 87 ASP N . 19208 1 403 . 1 1 88 88 ASP H H 1 7.398 0.01 . 1 . . . . 88 ASP H . 19208 1 404 . 1 1 88 88 ASP C C 13 179.152 0.20 . 1 . . . . 88 ASP C . 19208 1 405 . 1 1 88 88 ASP CA C 13 55.636 0.20 . 1 . . . . 88 ASP CA . 19208 1 406 . 1 1 88 88 ASP CB C 13 41.620 0.20 . 1 . . . . 88 ASP CB . 19208 1 407 . 1 1 88 88 ASP N N 15 116.562 0.05 . 1 . . . . 88 ASP N . 19208 1 408 . 1 1 89 89 TYR H H 1 8.757 0.01 . 1 . . . . 89 TYR H . 19208 1 409 . 1 1 89 89 TYR C C 13 176.997 0.20 . 1 . . . . 89 TYR C . 19208 1 410 . 1 1 89 89 TYR CA C 13 62.310 0.20 . 1 . . . . 89 TYR CA . 19208 1 411 . 1 1 89 89 TYR CB C 13 37.459 0.20 . 1 . . . . 89 TYR CB . 19208 1 412 . 1 1 89 89 TYR N N 15 117.380 0.05 . 1 . . . . 89 TYR N . 19208 1 413 . 1 1 90 90 HIS H H 1 7.928 0.01 . 1 . . . . 90 HIS H . 19208 1 414 . 1 1 90 90 HIS C C 13 174.892 0.20 . 1 . . . . 90 HIS C . 19208 1 415 . 1 1 90 90 HIS CA C 13 56.969 0.20 . 1 . . . . 90 HIS CA . 19208 1 416 . 1 1 90 90 HIS CB C 13 29.194 0.20 . 1 . . . . 90 HIS CB . 19208 1 417 . 1 1 90 90 HIS N N 15 111.081 0.05 . 1 . . . . 90 HIS N . 19208 1 418 . 1 1 91 91 GLY H H 1 7.382 0.01 . 1 . . . . 91 GLY H . 19208 1 419 . 1 1 91 91 GLY C C 13 174.615 0.20 . 1 . . . . 91 GLY C . 19208 1 420 . 1 1 91 91 GLY CA C 13 46.585 0.20 . 1 . . . . 91 GLY CA . 19208 1 421 . 1 1 91 91 GLY N N 15 107.243 0.05 . 1 . . . . 91 GLY N . 19208 1 422 . 1 1 92 92 GLY H H 1 8.371 0.01 . 1 . . . . 92 GLY H . 19208 1 423 . 1 1 92 92 GLY C C 13 173.024 0.20 . 1 . . . . 92 GLY C . 19208 1 424 . 1 1 92 92 GLY CA C 13 44.910 0.20 . 1 . . . . 92 GLY CA . 19208 1 425 . 1 1 92 92 GLY N N 15 110.290 0.05 . 1 . . . . 92 GLY N . 19208 1 426 . 1 1 93 93 PHE H H 1 9.801 0.01 . 1 . . . . 93 PHE H . 19208 1 427 . 1 1 93 93 PHE C C 13 173.499 0.20 . 1 . . . . 93 PHE C . 19208 1 428 . 1 1 93 93 PHE CA C 13 59.572 0.20 . 1 . . . . 93 PHE CA . 19208 1 429 . 1 1 93 93 PHE CB C 13 38.478 0.20 . 1 . . . . 93 PHE CB . 19208 1 430 . 1 1 93 93 PHE N N 15 131.451 0.05 . 1 . . . . 93 PHE N . 19208 1 431 . 1 1 94 94 LYS H H 1 9.259 0.01 . 1 . . . . 94 LYS H . 19208 1 432 . 1 1 94 94 LYS C C 13 178.909 0.20 . 1 . . . . 94 LYS C . 19208 1 433 . 1 1 94 94 LYS CA C 13 54.496 0.20 . 1 . . . . 94 LYS CA . 19208 1 434 . 1 1 94 94 LYS CB C 13 32.675 0.20 . 1 . . . . 94 LYS CB . 19208 1 435 . 1 1 94 94 LYS N N 15 126.381 0.05 . 1 . . . . 94 LYS N . 19208 1 436 . 1 1 95 95 LEU H H 1 8.387 0.01 . 1 . . . . 95 LEU H . 19208 1 437 . 1 1 95 95 LEU C C 13 177.583 0.20 . 1 . . . . 95 LEU C . 19208 1 438 . 1 1 95 95 LEU CA C 13 57.680 0.20 . 1 . . . . 95 LEU CA . 19208 1 439 . 1 1 95 95 LEU CB C 13 40.552 0.20 . 1 . . . . 95 LEU CB . 19208 1 440 . 1 1 95 95 LEU N N 15 121.266 0.05 . 1 . . . . 95 LEU N . 19208 1 441 . 1 1 96 96 THR H H 1 6.708 0.01 . 1 . . . . 96 THR H . 19208 1 442 . 1 1 96 96 THR C C 13 174.629 0.20 . 1 . . . . 96 THR C . 19208 1 443 . 1 1 96 96 THR CA C 13 60.208 0.20 . 1 . . . . 96 THR CA . 19208 1 444 . 1 1 96 96 THR CB C 13 68.145 0.20 . 1 . . . . 96 THR CB . 19208 1 445 . 1 1 96 96 THR N N 15 101.314 0.05 . 1 . . . . 96 THR N . 19208 1 446 . 1 1 97 97 ASP H H 1 6.875 0.01 . 1 . . . . 97 ASP H . 19208 1 447 . 1 1 97 97 ASP C C 13 174.567 0.20 . 1 . . . . 97 ASP C . 19208 1 448 . 1 1 97 97 ASP CA C 13 54.185 0.20 . 1 . . . . 97 ASP CA . 19208 1 449 . 1 1 97 97 ASP CB C 13 40.466 0.20 . 1 . . . . 97 ASP CB . 19208 1 450 . 1 1 97 97 ASP N N 15 122.263 0.05 . 1 . . . . 97 ASP N . 19208 1 451 . 1 1 98 98 LYS H H 1 7.898 0.01 . 1 . . . . 98 LYS H . 19208 1 452 . 1 1 98 98 LYS C C 13 175.212 0.20 . 1 . . . . 98 LYS C . 19208 1 453 . 1 1 98 98 LYS CA C 13 54.769 0.20 . 1 . . . . 98 LYS CA . 19208 1 454 . 1 1 98 98 LYS CB C 13 34.530 0.20 . 1 . . . . 98 LYS CB . 19208 1 455 . 1 1 98 98 LYS N N 15 115.323 0.05 . 1 . . . . 98 LYS N . 19208 1 456 . 1 1 99 99 HIS H H 1 8.971 0.01 . 1 . . . . 99 HIS H . 19208 1 457 . 1 1 99 99 HIS C C 13 173.167 0.20 . 1 . . . . 99 HIS C . 19208 1 458 . 1 1 99 99 HIS CA C 13 55.331 0.20 . 1 . . . . 99 HIS CA . 19208 1 459 . 1 1 99 99 HIS CB C 13 31.042 0.20 . 1 . . . . 99 HIS CB . 19208 1 460 . 1 1 99 99 HIS N N 15 127.594 0.05 . 1 . . . . 99 HIS N . 19208 1 461 . 1 1 101 101 PRO C C 13 175.956 0.20 . 1 . . . . 101 PRO C . 19208 1 462 . 1 1 101 101 PRO CA C 13 62.113 0.20 . 1 . . . . 101 PRO CA . 19208 1 463 . 1 1 101 101 PRO CB C 13 31.039 0.20 . 1 . . . . 101 PRO CB . 19208 1 464 . 1 1 102 102 LYS H H 1 7.818 0.01 . 1 . . . . 102 LYS H . 19208 1 465 . 1 1 102 102 LYS C C 13 176.381 0.20 . 1 . . . . 102 LYS C . 19208 1 466 . 1 1 102 102 LYS CA C 13 56.427 0.20 . 1 . . . . 102 LYS CA . 19208 1 467 . 1 1 102 102 LYS CB C 13 31.257 0.20 . 1 . . . . 102 LYS CB . 19208 1 468 . 1 1 102 102 LYS N N 15 124.221 0.05 . 1 . . . . 102 LYS N . 19208 1 469 . 1 1 103 103 GLU H H 1 8.529 0.01 . 1 . . . . 103 GLU H . 19208 1 470 . 1 1 103 103 GLU C C 13 173.507 0.20 . 1 . . . . 103 GLU C . 19208 1 471 . 1 1 103 103 GLU CA C 13 55.438 0.20 . 1 . . . . 103 GLU CA . 19208 1 472 . 1 1 103 103 GLU CB C 13 30.210 0.20 . 1 . . . . 103 GLU CB . 19208 1 473 . 1 1 103 103 GLU N N 15 129.472 0.05 . 1 . . . . 103 GLU N . 19208 1 474 . 1 1 104 104 TRP H H 1 8.323 0.01 . 1 . . . . 104 TRP H . 19208 1 475 . 1 1 104 104 TRP C C 13 179.756 0.20 . 1 . . . . 104 TRP C . 19208 1 476 . 1 1 104 104 TRP CA C 13 57.285 0.20 . 1 . . . . 104 TRP CA . 19208 1 477 . 1 1 104 104 TRP CB C 13 30.790 0.20 . 1 . . . . 104 TRP CB . 19208 1 478 . 1 1 104 104 TRP N N 15 125.883 0.05 . 1 . . . . 104 TRP N . 19208 1 479 . 1 1 105 105 GLY H H 1 8.585 0.01 . 1 . . . . 105 GLY H . 19208 1 480 . 1 1 105 105 GLY C C 13 171.952 0.20 . 1 . . . . 105 GLY C . 19208 1 481 . 1 1 105 105 GLY CA C 13 43.755 0.20 . 1 . . . . 105 GLY CA . 19208 1 482 . 1 1 105 105 GLY N N 15 102.974 0.05 . 1 . . . . 105 GLY N . 19208 1 483 . 1 1 106 106 ASP H H 1 7.031 0.01 . 1 . . . . 106 ASP H . 19208 1 484 . 1 1 106 106 ASP C C 13 177.442 0.20 . 1 . . . . 106 ASP C . 19208 1 485 . 1 1 106 106 ASP CA C 13 52.342 0.20 . 1 . . . . 106 ASP CA . 19208 1 486 . 1 1 106 106 ASP CB C 13 39.142 0.20 . 1 . . . . 106 ASP CB . 19208 1 487 . 1 1 106 106 ASP N N 15 115.016 0.05 . 1 . . . . 106 ASP N . 19208 1 488 . 1 1 107 107 ILE H H 1 8.473 0.01 . 1 . . . . 107 ILE H . 19208 1 489 . 1 1 107 107 ILE C C 13 176.006 0.20 . 1 . . . . 107 ILE C . 19208 1 490 . 1 1 107 107 ILE CA C 13 64.093 0.20 . 1 . . . . 107 ILE CA . 19208 1 491 . 1 1 107 107 ILE CB C 13 37.438 0.20 . 1 . . . . 107 ILE CB . 19208 1 492 . 1 1 107 107 ILE N N 15 129.139 0.05 . 1 . . . . 107 ILE N . 19208 1 493 . 1 1 108 108 ASN H H 1 8.029 0.01 . 1 . . . . 108 ASN H . 19208 1 494 . 1 1 108 108 ASN C C 13 176.074 0.20 . 1 . . . . 108 ASN C . 19208 1 495 . 1 1 108 108 ASN CA C 13 54.547 0.20 . 1 . . . . 108 ASN CA . 19208 1 496 . 1 1 108 108 ASN CB C 13 37.320 0.20 . 1 . . . . 108 ASN CB . 19208 1 497 . 1 1 108 108 ASN N N 15 113.114 0.05 . 1 . . . . 108 ASN N . 19208 1 498 . 1 1 109 109 THR H H 1 7.547 0.01 . 1 . . . . 109 THR H . 19208 1 499 . 1 1 109 109 THR C C 13 174.223 0.20 . 1 . . . . 109 THR C . 19208 1 500 . 1 1 109 109 THR CA C 13 61.500 0.20 . 1 . . . . 109 THR CA . 19208 1 501 . 1 1 109 109 THR CB C 13 70.096 0.20 . 1 . . . . 109 THR CB . 19208 1 502 . 1 1 109 109 THR N N 15 107.127 0.05 . 1 . . . . 109 THR N . 19208 1 503 . 1 1 110 110 LEU H H 1 7.365 0.01 . 1 . . . . 110 LEU H . 19208 1 504 . 1 1 110 110 LEU C C 13 176.673 0.20 . 1 . . . . 110 LEU C . 19208 1 505 . 1 1 110 110 LEU CA C 13 53.294 0.20 . 1 . . . . 110 LEU CA . 19208 1 506 . 1 1 110 110 LEU CB C 13 40.073 0.20 . 1 . . . . 110 LEU CB . 19208 1 507 . 1 1 110 110 LEU N N 15 123.314 0.05 . 1 . . . . 110 LEU N . 19208 1 508 . 1 1 111 111 VAL H H 1 7.534 0.01 . 1 . . . . 111 VAL H . 19208 1 509 . 1 1 111 111 VAL C C 13 174.665 0.20 . 1 . . . . 111 VAL C . 19208 1 510 . 1 1 111 111 VAL CA C 13 58.606 0.20 . 1 . . . . 111 VAL CA . 19208 1 511 . 1 1 111 111 VAL CB C 13 34.338 0.20 . 1 . . . . 111 VAL CB . 19208 1 512 . 1 1 111 111 VAL N N 15 110.444 0.05 . 1 . . . . 111 VAL N . 19208 1 513 . 1 1 112 112 ASP H H 1 7.427 0.01 . 1 . . . . 112 ASP H . 19208 1 514 . 1 1 112 112 ASP C C 13 176.812 0.20 . 1 . . . . 112 ASP C . 19208 1 515 . 1 1 112 112 ASP CA C 13 53.094 0.20 . 1 . . . . 112 ASP CA . 19208 1 516 . 1 1 112 112 ASP CB C 13 39.428 0.20 . 1 . . . . 112 ASP CB . 19208 1 517 . 1 1 112 112 ASP N N 15 115.123 0.05 . 1 . . . . 112 ASP N . 19208 1 518 . 1 1 113 113 LEU H H 1 8.673 0.01 . 1 . . . . 113 LEU H . 19208 1 519 . 1 1 113 113 LEU C C 13 176.568 0.20 . 1 . . . . 113 LEU C . 19208 1 520 . 1 1 113 113 LEU CA C 13 55.418 0.20 . 1 . . . . 113 LEU CA . 19208 1 521 . 1 1 113 113 LEU CB C 13 43.429 0.20 . 1 . . . . 113 LEU CB . 19208 1 522 . 1 1 113 113 LEU N N 15 125.544 0.05 . 1 . . . . 113 LEU N . 19208 1 523 . 1 1 114 114 ASP H H 1 8.010 0.01 . 1 . . . . 114 ASP H . 19208 1 524 . 1 1 114 114 ASP C C 13 173.258 0.20 . 1 . . . . 114 ASP C . 19208 1 525 . 1 1 114 114 ASP CA C 13 52.337 0.20 . 1 . . . . 114 ASP CA . 19208 1 526 . 1 1 114 114 ASP CB C 13 42.188 0.20 . 1 . . . . 114 ASP CB . 19208 1 527 . 1 1 114 114 ASP N N 15 109.249 0.05 . 1 . . . . 114 ASP N . 19208 1 528 . 1 1 115 115 PRO C C 13 178.467 0.20 . 1 . . . . 115 PRO C . 19208 1 529 . 1 1 115 115 PRO CA C 13 64.296 0.20 . 1 . . . . 115 PRO CA . 19208 1 530 . 1 1 115 115 PRO CB C 13 30.700 0.20 . 1 . . . . 115 PRO CB . 19208 1 531 . 1 1 116 116 GLY H H 1 8.392 0.01 . 1 . . . . 116 GLY H . 19208 1 532 . 1 1 116 116 GLY C C 13 176.099 0.20 . 1 . . . . 116 GLY C . 19208 1 533 . 1 1 116 116 GLY CA C 13 44.992 0.20 . 1 . . . . 116 GLY CA . 19208 1 534 . 1 1 116 116 GLY N N 15 105.637 0.05 . 1 . . . . 116 GLY N . 19208 1 535 . 1 1 117 117 GLY H H 1 7.651 0.01 . 1 . . . . 117 GLY H . 19208 1 536 . 1 1 117 117 GLY C C 13 175.084 0.20 . 1 . . . . 117 GLY C . 19208 1 537 . 1 1 117 117 GLY CA C 13 46.564 0.20 . 1 . . . . 117 GLY CA . 19208 1 538 . 1 1 117 117 GLY N N 15 108.313 0.05 . 1 . . . . 117 GLY N . 19208 1 539 . 1 1 118 118 GLN H H 1 8.619 0.01 . 1 . . . . 118 GLN H . 19208 1 540 . 1 1 118 118 GLN C C 13 176.048 0.20 . 1 . . . . 118 GLN C . 19208 1 541 . 1 1 118 118 GLN CA C 13 56.858 0.20 . 1 . . . . 118 GLN CA . 19208 1 542 . 1 1 118 118 GLN CB C 13 28.841 0.20 . 1 . . . . 118 GLN CB . 19208 1 543 . 1 1 118 118 GLN N N 15 119.208 0.05 . 1 . . . . 118 GLN N . 19208 1 544 . 1 1 119 119 PHE H H 1 9.931 0.01 . 1 . . . . 119 PHE H . 19208 1 545 . 1 1 119 119 PHE C C 13 175.973 0.20 . 1 . . . . 119 PHE C . 19208 1 546 . 1 1 119 119 PHE CA C 13 59.247 0.20 . 1 . . . . 119 PHE CA . 19208 1 547 . 1 1 119 119 PHE CB C 13 41.176 0.20 . 1 . . . . 119 PHE CB . 19208 1 548 . 1 1 119 119 PHE N N 15 117.728 0.05 . 1 . . . . 119 PHE N . 19208 1 549 . 1 1 120 120 ILE H H 1 9.303 0.01 . 1 . . . . 120 ILE H . 19208 1 550 . 1 1 120 120 ILE C C 13 175.787 0.20 . 1 . . . . 120 ILE C . 19208 1 551 . 1 1 120 120 ILE CA C 13 61.575 0.20 . 1 . . . . 120 ILE CA . 19208 1 552 . 1 1 120 120 ILE CB C 13 38.269 0.20 . 1 . . . . 120 ILE CB . 19208 1 553 . 1 1 120 120 ILE N N 15 120.047 0.05 . 1 . . . . 120 ILE N . 19208 1 554 . 1 1 121 121 ILE H H 1 9.111 0.01 . 1 . . . . 121 ILE H . 19208 1 555 . 1 1 121 121 ILE C C 13 177.727 0.20 . 1 . . . . 121 ILE C . 19208 1 556 . 1 1 121 121 ILE CA C 13 62.269 0.20 . 1 . . . . 121 ILE CA . 19208 1 557 . 1 1 121 121 ILE CB C 13 38.405 0.20 . 1 . . . . 121 ILE CB . 19208 1 558 . 1 1 121 121 ILE N N 15 129.195 0.05 . 1 . . . . 121 ILE N . 19208 1 559 . 1 1 122 122 SER H H 1 7.262 0.01 . 1 . . . . 122 SER H . 19208 1 560 . 1 1 122 122 SER C C 13 173.976 0.20 . 1 . . . . 122 SER C . 19208 1 561 . 1 1 122 122 SER CA C 13 58.222 0.20 . 1 . . . . 122 SER CA . 19208 1 562 . 1 1 122 122 SER CB C 13 62.718 0.20 . 1 . . . . 122 SER CB . 19208 1 563 . 1 1 122 122 SER N N 15 111.838 0.05 . 1 . . . . 122 SER N . 19208 1 564 . 1 1 123 123 THR H H 1 8.634 0.01 . 1 . . . . 123 THR H . 19208 1 565 . 1 1 123 123 THR C C 13 171.210 0.20 . 1 . . . . 123 THR C . 19208 1 566 . 1 1 123 123 THR CA C 13 63.124 0.20 . 1 . . . . 123 THR CA . 19208 1 567 . 1 1 123 123 THR CB C 13 70.201 0.20 . 1 . . . . 123 THR CB . 19208 1 568 . 1 1 123 123 THR N N 15 121.518 0.05 . 1 . . . . 123 THR N . 19208 1 569 . 1 1 124 124 ARG H H 1 8.983 0.01 . 1 . . . . 124 ARG H . 19208 1 570 . 1 1 124 124 ARG C C 13 173.313 0.20 . 1 . . . . 124 ARG C . 19208 1 571 . 1 1 124 124 ARG CA C 13 53.379 0.20 . 1 . . . . 124 ARG CA . 19208 1 572 . 1 1 124 124 ARG CB C 13 34.584 0.20 . 1 . . . . 124 ARG CB . 19208 1 573 . 1 1 124 124 ARG N N 15 127.159 0.05 . 1 . . . . 124 ARG N . 19208 1 574 . 1 1 125 125 VAL H H 1 9.269 0.01 . 1 . . . . 125 VAL H . 19208 1 575 . 1 1 125 125 VAL C C 13 172.830 0.20 . 1 . . . . 125 VAL C . 19208 1 576 . 1 1 125 125 VAL CA C 13 60.744 0.20 . 1 . . . . 125 VAL CA . 19208 1 577 . 1 1 125 125 VAL CB C 13 33.615 0.20 . 1 . . . . 125 VAL CB . 19208 1 578 . 1 1 125 125 VAL N N 15 123.037 0.05 . 1 . . . . 125 VAL N . 19208 1 579 . 1 1 126 126 ARG H H 1 8.117 0.01 . 1 . . . . 126 ARG H . 19208 1 580 . 1 1 126 126 ARG C C 13 175.916 0.20 . 1 . . . . 126 ARG C . 19208 1 581 . 1 1 126 126 ARG CA C 13 50.994 0.20 . 1 . . . . 126 ARG CA . 19208 1 582 . 1 1 126 126 ARG CB C 13 35.442 0.20 . 1 . . . . 126 ARG CB . 19208 1 583 . 1 1 126 126 ARG N N 15 121.056 0.05 . 1 . . . . 126 ARG N . 19208 1 584 . 1 1 127 127 CYS H H 1 8.823 0.01 . 1 . . . . 127 CYS H . 19208 1 585 . 1 1 127 127 CYS C C 13 173.034 0.20 . 1 . . . . 127 CYS C . 19208 1 586 . 1 1 127 127 CYS CA C 13 57.035 0.20 . 1 . . . . 127 CYS CA . 19208 1 587 . 1 1 127 127 CYS CB C 13 31.659 0.20 . 1 . . . . 127 CYS CB . 19208 1 588 . 1 1 127 127 CYS N N 15 117.494 0.05 . 1 . . . . 127 CYS N . 19208 1 589 . 1 1 128 128 GLY H H 1 9.273 0.01 . 1 . . . . 128 GLY H . 19208 1 590 . 1 1 128 128 GLY C C 13 171.263 0.20 . 1 . . . . 128 GLY C . 19208 1 591 . 1 1 128 128 GLY CA C 13 43.734 0.20 . 1 . . . . 128 GLY CA . 19208 1 592 . 1 1 128 128 GLY N N 15 107.622 0.05 . 1 . . . . 128 GLY N . 19208 1 593 . 1 1 129 129 ARG H H 1 8.415 0.01 . 1 . . . . 129 ARG H . 19208 1 594 . 1 1 129 129 ARG C C 13 173.680 0.20 . 1 . . . . 129 ARG C . 19208 1 595 . 1 1 129 129 ARG CA C 13 52.602 0.20 . 1 . . . . 129 ARG CA . 19208 1 596 . 1 1 129 129 ARG CB C 13 36.222 0.20 . 1 . . . . 129 ARG CB . 19208 1 597 . 1 1 129 129 ARG N N 15 118.294 0.05 . 1 . . . . 129 ARG N . 19208 1 598 . 1 1 130 130 SER H H 1 9.124 0.01 . 1 . . . . 130 SER H . 19208 1 599 . 1 1 130 130 SER C C 13 174.301 0.20 . 1 . . . . 130 SER C . 19208 1 600 . 1 1 130 130 SER CA C 13 56.017 0.20 . 1 . . . . 130 SER CA . 19208 1 601 . 1 1 130 130 SER CB C 13 63.100 0.20 . 1 . . . . 130 SER CB . 19208 1 602 . 1 1 130 130 SER N N 15 115.175 0.05 . 1 . . . . 130 SER N . 19208 1 603 . 1 1 131 131 LEU H H 1 13.063 0.01 . 1 . . . . 131 LEU H . 19208 1 604 . 1 1 131 131 LEU C C 13 178.026 0.20 . 1 . . . . 131 LEU C . 19208 1 605 . 1 1 131 131 LEU CA C 13 55.313 0.20 . 1 . . . . 131 LEU CA . 19208 1 606 . 1 1 131 131 LEU CB C 13 41.552 0.20 . 1 . . . . 131 LEU CB . 19208 1 607 . 1 1 131 131 LEU N N 15 132.719 0.05 . 1 . . . . 131 LEU N . 19208 1 608 . 1 1 132 132 GLN H H 1 8.300 0.01 . 1 . . . . 132 GLN H . 19208 1 609 . 1 1 132 132 GLN C C 13 176.879 0.20 . 1 . . . . 132 GLN C . 19208 1 610 . 1 1 132 132 GLN CA C 13 56.891 0.20 . 1 . . . . 132 GLN CA . 19208 1 611 . 1 1 132 132 GLN CB C 13 28.122 0.20 . 1 . . . . 132 GLN CB . 19208 1 612 . 1 1 132 132 GLN N N 15 123.523 0.05 . 1 . . . . 132 GLN N . 19208 1 613 . 1 1 133 133 GLY H H 1 8.635 0.01 . 1 . . . . 133 GLY H . 19208 1 614 . 1 1 133 133 GLY C C 13 173.275 0.20 . 1 . . . . 133 GLY C . 19208 1 615 . 1 1 133 133 GLY CA C 13 44.305 0.20 . 1 . . . . 133 GLY CA . 19208 1 616 . 1 1 133 133 GLY N N 15 110.995 0.05 . 1 . . . . 133 GLY N . 19208 1 617 . 1 1 134 134 TYR H H 1 7.372 0.01 . 1 . . . . 134 TYR H . 19208 1 618 . 1 1 134 134 TYR C C 13 173.414 0.20 . 1 . . . . 134 TYR C . 19208 1 619 . 1 1 134 134 TYR CA C 13 55.088 0.20 . 1 . . . . 134 TYR CA . 19208 1 620 . 1 1 134 134 TYR CB C 13 40.133 0.20 . 1 . . . . 134 TYR CB . 19208 1 621 . 1 1 134 134 TYR N N 15 118.074 0.05 . 1 . . . . 134 TYR N . 19208 1 622 . 1 1 138 138 PRO C C 13 176.877 0.20 . 1 . . . . 138 PRO C . 19208 1 623 . 1 1 138 138 PRO CA C 13 65.063 0.20 . 1 . . . . 138 PRO CA . 19208 1 624 . 1 1 138 138 PRO CB C 13 30.927 0.20 . 1 . . . . 138 PRO CB . 19208 1 625 . 1 1 139 139 CYS H H 1 7.853 0.01 . 1 . . . . 139 CYS H . 19208 1 626 . 1 1 139 139 CYS C C 13 174.283 0.20 . 1 . . . . 139 CYS C . 19208 1 627 . 1 1 139 139 CYS CA C 13 57.924 0.20 . 1 . . . . 139 CYS CA . 19208 1 628 . 1 1 139 139 CYS CB C 13 29.736 0.20 . 1 . . . . 139 CYS CB . 19208 1 629 . 1 1 139 139 CYS N N 15 110.248 0.05 . 1 . . . . 139 CYS N . 19208 1 630 . 1 1 140 140 LEU H H 1 7.077 0.01 . 1 . . . . 140 LEU H . 19208 1 631 . 1 1 140 140 LEU C C 13 177.995 0.20 . 1 . . . . 140 LEU C . 19208 1 632 . 1 1 140 140 LEU CA C 13 54.694 0.20 . 1 . . . . 140 LEU CA . 19208 1 633 . 1 1 140 140 LEU CB C 13 42.229 0.20 . 1 . . . . 140 LEU CB . 19208 1 634 . 1 1 140 140 LEU N N 15 121.820 0.05 . 1 . . . . 140 LEU N . 19208 1 635 . 1 1 141 141 THR H H 1 8.421 0.01 . 1 . . . . 141 THR H . 19208 1 636 . 1 1 141 141 THR C C 13 174.925 0.20 . 1 . . . . 141 THR C . 19208 1 637 . 1 1 141 141 THR CA C 13 59.253 0.20 . 1 . . . . 141 THR CA . 19208 1 638 . 1 1 141 141 THR CB C 13 70.543 0.20 . 1 . . . . 141 THR CB . 19208 1 639 . 1 1 141 141 THR N N 15 111.723 0.05 . 1 . . . . 141 THR N . 19208 1 640 . 1 1 142 142 ALA H H 1 8.016 0.01 . 1 . . . . 142 ALA H . 19208 1 641 . 1 1 142 142 ALA C C 13 179.644 0.20 . 1 . . . . 142 ALA C . 19208 1 642 . 1 1 142 142 ALA CA C 13 55.468 0.20 . 1 . . . . 142 ALA CA . 19208 1 643 . 1 1 142 142 ALA CB C 13 16.151 0.20 . 1 . . . . 142 ALA CB . 19208 1 644 . 1 1 142 142 ALA N N 15 123.296 0.05 . 1 . . . . 142 ALA N . 19208 1 645 . 1 1 143 143 GLU H H 1 8.229 0.01 . 1 . . . . 143 GLU H . 19208 1 646 . 1 1 143 143 GLU C C 13 179.626 0.20 . 1 . . . . 143 GLU C . 19208 1 647 . 1 1 143 143 GLU CA C 13 59.487 0.20 . 1 . . . . 143 GLU CA . 19208 1 648 . 1 1 143 143 GLU CB C 13 27.947 0.20 . 1 . . . . 143 GLU CB . 19208 1 649 . 1 1 143 143 GLU N N 15 114.864 0.05 . 1 . . . . 143 GLU N . 19208 1 650 . 1 1 144 144 GLN H H 1 7.711 0.01 . 1 . . . . 144 GLN H . 19208 1 651 . 1 1 144 144 GLN C C 13 178.037 0.20 . 1 . . . . 144 GLN C . 19208 1 652 . 1 1 144 144 GLN CA C 13 59.054 0.20 . 1 . . . . 144 GLN CA . 19208 1 653 . 1 1 144 144 GLN CB C 13 28.652 0.20 . 1 . . . . 144 GLN CB . 19208 1 654 . 1 1 144 144 GLN N N 15 119.706 0.05 . 1 . . . . 144 GLN N . 19208 1 655 . 1 1 145 145 TYR H H 1 8.078 0.01 . 1 . . . . 145 TYR H . 19208 1 656 . 1 1 145 145 TYR C C 13 178.589 0.20 . 1 . . . . 145 TYR C . 19208 1 657 . 1 1 145 145 TYR CA C 13 63.753 0.20 . 1 . . . . 145 TYR CA . 19208 1 658 . 1 1 145 145 TYR CB C 13 37.406 0.20 . 1 . . . . 145 TYR CB . 19208 1 659 . 1 1 145 145 TYR N N 15 118.002 0.05 . 1 . . . . 145 TYR N . 19208 1 660 . 1 1 146 146 LYS H H 1 7.376 0.01 . 1 . . . . 146 LYS H . 19208 1 661 . 1 1 146 146 LYS C C 13 178.625 0.20 . 1 . . . . 146 LYS C . 19208 1 662 . 1 1 146 146 LYS CA C 13 58.879 0.20 . 1 . . . . 146 LYS CA . 19208 1 663 . 1 1 146 146 LYS CB C 13 31.480 0.20 . 1 . . . . 146 LYS CB . 19208 1 664 . 1 1 146 146 LYS N N 15 115.860 0.05 . 1 . . . . 146 LYS N . 19208 1 665 . 1 1 147 147 GLU H H 1 8.224 0.01 . 1 . . . . 147 GLU H . 19208 1 666 . 1 1 147 147 GLU C C 13 179.441 0.20 . 1 . . . . 147 GLU C . 19208 1 667 . 1 1 147 147 GLU CA C 13 58.709 0.20 . 1 . . . . 147 GLU CA . 19208 1 668 . 1 1 147 147 GLU CB C 13 29.663 0.20 . 1 . . . . 147 GLU CB . 19208 1 669 . 1 1 147 147 GLU N N 15 121.526 0.05 . 1 . . . . 147 GLU N . 19208 1 670 . 1 1 148 148 MET H H 1 8.528 0.01 . 1 . . . . 148 MET H . 19208 1 671 . 1 1 148 148 MET C C 13 177.315 0.20 . 1 . . . . 148 MET C . 19208 1 672 . 1 1 148 148 MET CA C 13 59.192 0.20 . 1 . . . . 148 MET CA . 19208 1 673 . 1 1 148 148 MET CB C 13 34.306 0.20 . 1 . . . . 148 MET CB . 19208 1 674 . 1 1 148 148 MET N N 15 119.160 0.05 . 1 . . . . 148 MET N . 19208 1 675 . 1 1 149 149 GLU H H 1 7.752 0.01 . 1 . . . . 149 GLU H . 19208 1 676 . 1 1 149 149 GLU C C 13 178.483 0.20 . 1 . . . . 149 GLU C . 19208 1 677 . 1 1 149 149 GLU CA C 13 59.456 0.20 . 1 . . . . 149 GLU CA . 19208 1 678 . 1 1 149 149 GLU CB C 13 28.858 0.20 . 1 . . . . 149 GLU CB . 19208 1 679 . 1 1 149 149 GLU N N 15 118.398 0.05 . 1 . . . . 149 GLU N . 19208 1 680 . 1 1 150 150 GLU H H 1 7.935 0.01 . 1 . . . . 150 GLU H . 19208 1 681 . 1 1 150 150 GLU C C 13 178.485 0.20 . 1 . . . . 150 GLU C . 19208 1 682 . 1 1 150 150 GLU CA C 13 59.201 0.20 . 1 . . . . 150 GLU CA . 19208 1 683 . 1 1 150 150 GLU CB C 13 28.554 0.20 . 1 . . . . 150 GLU CB . 19208 1 684 . 1 1 151 151 LYS H H 1 7.926 0.01 . 1 . . . . 151 LYS H . 19208 1 685 . 1 1 151 151 LYS C C 13 179.642 0.20 . 1 . . . . 151 LYS C . 19208 1 686 . 1 1 151 151 LYS CA C 13 58.727 0.20 . 1 . . . . 151 LYS CA . 19208 1 687 . 1 1 151 151 LYS CB C 13 31.628 0.20 . 1 . . . . 151 LYS CB . 19208 1 688 . 1 1 151 151 LYS N N 15 120.295 0.05 . 1 . . . . 151 LYS N . 19208 1 689 . 1 1 152 152 VAL H H 1 8.709 0.01 . 1 . . . . 152 VAL H . 19208 1 690 . 1 1 152 152 VAL C C 13 177.671 0.20 . 1 . . . . 152 VAL C . 19208 1 691 . 1 1 152 152 VAL CA C 13 66.479 0.20 . 1 . . . . 152 VAL CA . 19208 1 692 . 1 1 152 152 VAL CB C 13 30.658 0.20 . 1 . . . . 152 VAL CB . 19208 1 693 . 1 1 152 152 VAL N N 15 119.367 0.05 . 1 . . . . 152 VAL N . 19208 1 694 . 1 1 153 153 SER H H 1 8.517 0.01 . 1 . . . . 153 SER H . 19208 1 695 . 1 1 153 153 SER C C 13 177.519 0.20 . 1 . . . . 153 SER C . 19208 1 696 . 1 1 153 153 SER CA C 13 61.956 0.20 . 1 . . . . 153 SER CA . 19208 1 697 . 1 1 153 153 SER CB C 13 60.802 0.20 . 1 . . . . 153 SER CB . 19208 1 698 . 1 1 153 153 SER N N 15 115.419 0.05 . 1 . . . . 153 SER N . 19208 1 699 . 1 1 154 154 SER H H 1 7.874 0.01 . 1 . . . . 154 SER H . 19208 1 700 . 1 1 154 154 SER C C 13 177.995 0.20 . 1 . . . . 154 SER C . 19208 1 701 . 1 1 154 154 SER CA C 13 61.316 0.20 . 1 . . . . 154 SER CA . 19208 1 702 . 1 1 154 154 SER CB C 13 62.626 0.20 . 1 . . . . 154 SER CB . 19208 1 703 . 1 1 154 154 SER N N 15 117.527 0.05 . 1 . . . . 154 SER N . 19208 1 704 . 1 1 155 155 THR H H 1 7.536 0.01 . 1 . . . . 155 THR H . 19208 1 705 . 1 1 155 155 THR C C 13 177.023 0.20 . 1 . . . . 155 THR C . 19208 1 706 . 1 1 155 155 THR CA C 13 66.629 0.20 . 1 . . . . 155 THR CA . 19208 1 707 . 1 1 155 155 THR CB C 13 67.713 0.20 . 1 . . . . 155 THR CB . 19208 1 708 . 1 1 155 155 THR N N 15 120.004 0.05 . 1 . . . . 155 THR N . 19208 1 709 . 1 1 156 156 LEU H H 1 8.321 0.01 . 1 . . . . 156 LEU H . 19208 1 710 . 1 1 156 156 LEU C C 13 178.060 0.20 . 1 . . . . 156 LEU C . 19208 1 711 . 1 1 156 156 LEU CA C 13 56.366 0.20 . 1 . . . . 156 LEU CA . 19208 1 712 . 1 1 156 156 LEU CB C 13 38.436 0.20 . 1 . . . . 156 LEU CB . 19208 1 713 . 1 1 156 156 LEU N N 15 121.102 0.05 . 1 . . . . 156 LEU N . 19208 1 714 . 1 1 157 157 SER H H 1 7.691 0.01 . 1 . . . . 157 SER H . 19208 1 715 . 1 1 157 157 SER C C 13 173.963 0.20 . 1 . . . . 157 SER C . 19208 1 716 . 1 1 157 157 SER CA C 13 60.776 0.20 . 1 . . . . 157 SER CA . 19208 1 717 . 1 1 157 157 SER CB C 13 62.420 0.20 . 1 . . . . 157 SER CB . 19208 1 718 . 1 1 157 157 SER N N 15 115.188 0.05 . 1 . . . . 157 SER N . 19208 1 719 . 1 1 158 158 SER H H 1 7.395 0.01 . 1 . . . . 158 SER H . 19208 1 720 . 1 1 158 158 SER C C 13 174.845 0.20 . 1 . . . . 158 SER C . 19208 1 721 . 1 1 158 158 SER CA C 13 58.219 0.20 . 1 . . . . 158 SER CA . 19208 1 722 . 1 1 158 158 SER CB C 13 64.088 0.20 . 1 . . . . 158 SER CB . 19208 1 723 . 1 1 158 158 SER N N 15 114.117 0.05 . 1 . . . . 158 SER N . 19208 1 724 . 1 1 159 159 MET H H 1 7.160 0.01 . 1 . . . . 159 MET H . 19208 1 725 . 1 1 159 159 MET C C 13 176.455 0.20 . 1 . . . . 159 MET C . 19208 1 726 . 1 1 159 159 MET CA C 13 55.212 0.20 . 1 . . . . 159 MET CA . 19208 1 727 . 1 1 159 159 MET CB C 13 31.167 0.20 . 1 . . . . 159 MET CB . 19208 1 728 . 1 1 159 159 MET N N 15 120.595 0.05 . 1 . . . . 159 MET N . 19208 1 729 . 1 1 160 160 GLU H H 1 8.485 0.01 . 1 . . . . 160 GLU H . 19208 1 730 . 1 1 160 160 GLU CA C 13 54.527 0.20 . 1 . . . . 160 GLU CA . 19208 1 731 . 1 1 160 160 GLU CB C 13 33.337 0.20 . 1 . . . . 160 GLU CB . 19208 1 732 . 1 1 160 160 GLU N N 15 119.903 0.05 . 1 . . . . 160 GLU N . 19208 1 733 . 1 1 161 161 ASP H H 1 8.962 0.01 . 1 . . . . 161 ASP H . 19208 1 734 . 1 1 161 161 ASP C C 13 177.505 0.20 . 1 . . . . 161 ASP C . 19208 1 735 . 1 1 161 161 ASP CA C 13 55.440 0.20 . 1 . . . . 161 ASP CA . 19208 1 736 . 1 1 161 161 ASP CB C 13 39.159 0.20 . 1 . . . . 161 ASP CB . 19208 1 737 . 1 1 161 161 ASP N N 15 119.827 0.05 . 1 . . . . 161 ASP N . 19208 1 738 . 1 1 162 162 GLU H H 1 8.495 0.01 . 1 . . . . 162 GLU H . 19208 1 739 . 1 1 162 162 GLU C C 13 175.795 0.20 . 1 . . . . 162 GLU C . 19208 1 740 . 1 1 162 162 GLU CA C 13 58.245 0.20 . 1 . . . . 162 GLU CA . 19208 1 741 . 1 1 162 162 GLU CB C 13 28.785 0.20 . 1 . . . . 162 GLU CB . 19208 1 742 . 1 1 162 162 GLU N N 15 123.923 0.05 . 1 . . . . 162 GLU N . 19208 1 743 . 1 1 163 163 LEU H H 1 7.369 0.01 . 1 . . . . 163 LEU H . 19208 1 744 . 1 1 163 163 LEU C C 13 173.780 0.20 . 1 . . . . 163 LEU C . 19208 1 745 . 1 1 163 163 LEU CA C 13 53.287 0.20 . 1 . . . . 163 LEU CA . 19208 1 746 . 1 1 163 163 LEU CB C 13 39.582 0.20 . 1 . . . . 163 LEU CB . 19208 1 747 . 1 1 163 163 LEU N N 15 114.618 0.05 . 1 . . . . 163 LEU N . 19208 1 748 . 1 1 164 164 LYS H H 1 6.565 0.01 . 1 . . . . 164 LYS H . 19208 1 749 . 1 1 164 164 LYS C C 13 177.054 0.20 . 1 . . . . 164 LYS C . 19208 1 750 . 1 1 164 164 LYS CA C 13 55.958 0.20 . 1 . . . . 164 LYS CA . 19208 1 751 . 1 1 164 164 LYS CB C 13 32.302 0.20 . 1 . . . . 164 LYS CB . 19208 1 752 . 1 1 164 164 LYS N N 15 116.861 0.05 . 1 . . . . 164 LYS N . 19208 1 753 . 1 1 165 165 GLY H H 1 8.436 0.01 . 1 . . . . 165 GLY H . 19208 1 754 . 1 1 165 165 GLY C C 13 171.539 0.20 . 1 . . . . 165 GLY C . 19208 1 755 . 1 1 165 165 GLY CA C 13 46.330 0.20 . 1 . . . . 165 GLY CA . 19208 1 756 . 1 1 165 165 GLY N N 15 112.046 0.05 . 1 . . . . 165 GLY N . 19208 1 757 . 1 1 166 166 THR H H 1 6.498 0.01 . 1 . . . . 166 THR H . 19208 1 758 . 1 1 166 166 THR C C 13 170.075 0.20 . 1 . . . . 166 THR C . 19208 1 759 . 1 1 166 166 THR CA C 13 60.599 0.20 . 1 . . . . 166 THR CA . 19208 1 760 . 1 1 166 166 THR CB C 13 71.863 0.20 . 1 . . . . 166 THR CB . 19208 1 761 . 1 1 166 166 THR N N 15 115.810 0.05 . 1 . . . . 166 THR N . 19208 1 762 . 1 1 167 167 TYR H H 1 8.344 0.01 . 1 . . . . 167 TYR H . 19208 1 763 . 1 1 167 167 TYR C C 13 172.544 0.20 . 1 . . . . 167 TYR C . 19208 1 764 . 1 1 167 167 TYR CA C 13 57.349 0.20 . 1 . . . . 167 TYR CA . 19208 1 765 . 1 1 167 167 TYR CB C 13 38.760 0.20 . 1 . . . . 167 TYR CB . 19208 1 766 . 1 1 167 167 TYR N N 15 123.609 0.05 . 1 . . . . 167 TYR N . 19208 1 767 . 1 1 168 168 TYR H H 1 8.582 0.01 . 1 . . . . 168 TYR H . 19208 1 768 . 1 1 168 168 TYR C C 13 171.781 0.20 . 1 . . . . 168 TYR C . 19208 1 769 . 1 1 168 168 TYR CA C 13 53.818 0.20 . 1 . . . . 168 TYR CA . 19208 1 770 . 1 1 168 168 TYR CB C 13 36.879 0.20 . 1 . . . . 168 TYR CB . 19208 1 771 . 1 1 168 168 TYR N N 15 129.271 0.05 . 1 . . . . 168 TYR N . 19208 1 772 . 1 1 169 169 PRO C C 13 178.176 0.20 . 1 . . . . 169 PRO C . 19208 1 773 . 1 1 169 169 PRO CA C 13 61.341 0.20 . 1 . . . . 169 PRO CA . 19208 1 774 . 1 1 170 170 LEU H H 1 9.156 0.01 . 1 . . . . 170 LEU H . 19208 1 775 . 1 1 170 170 LEU C C 13 180.082 0.20 . 1 . . . . 170 LEU C . 19208 1 776 . 1 1 170 170 LEU CA C 13 56.567 0.20 . 1 . . . . 170 LEU CA . 19208 1 777 . 1 1 170 170 LEU CB C 13 41.108 0.20 . 1 . . . . 170 LEU CB . 19208 1 778 . 1 1 170 170 LEU N N 15 122.662 0.05 . 1 . . . . 170 LEU N . 19208 1 779 . 1 1 171 171 THR H H 1 8.135 0.01 . 1 . . . . 171 THR H . 19208 1 780 . 1 1 171 171 THR C C 13 174.921 0.20 . 1 . . . . 171 THR C . 19208 1 781 . 1 1 171 171 THR CA C 13 64.398 0.20 . 1 . . . . 171 THR CA . 19208 1 782 . 1 1 171 171 THR CB C 13 67.879 0.20 . 1 . . . . 171 THR CB . 19208 1 783 . 1 1 171 171 THR N N 15 113.700 0.05 . 1 . . . . 171 THR N . 19208 1 784 . 1 1 172 172 GLY H H 1 8.076 0.01 . 1 . . . . 172 GLY H . 19208 1 785 . 1 1 172 172 GLY C C 13 173.455 0.20 . 1 . . . . 172 GLY C . 19208 1 786 . 1 1 172 172 GLY CA C 13 44.368 0.20 . 1 . . . . 172 GLY CA . 19208 1 787 . 1 1 172 172 GLY N N 15 112.900 0.05 . 1 . . . . 172 GLY N . 19208 1 788 . 1 1 173 173 MET H H 1 7.258 0.01 . 1 . . . . 173 MET H . 19208 1 789 . 1 1 173 173 MET C C 13 176.559 0.20 . 1 . . . . 173 MET C . 19208 1 790 . 1 1 173 173 MET CA C 13 55.279 0.20 . 1 . . . . 173 MET CA . 19208 1 791 . 1 1 173 173 MET CB C 13 33.924 0.20 . 1 . . . . 173 MET CB . 19208 1 792 . 1 1 173 173 MET N N 15 122.311 0.05 . 1 . . . . 173 MET N . 19208 1 793 . 1 1 174 174 SER H H 1 9.022 0.01 . 1 . . . . 174 SER H . 19208 1 794 . 1 1 174 174 SER C C 13 175.038 0.20 . 1 . . . . 174 SER C . 19208 1 795 . 1 1 174 174 SER CA C 13 57.467 0.20 . 1 . . . . 174 SER CA . 19208 1 796 . 1 1 174 174 SER CB C 13 63.540 0.20 . 1 . . . . 174 SER CB . 19208 1 797 . 1 1 174 174 SER N N 15 124.640 0.05 . 1 . . . . 174 SER N . 19208 1 798 . 1 1 175 175 LYS H H 1 8.811 0.01 . 1 . . . . 175 LYS H . 19208 1 799 . 1 1 175 175 LYS C C 13 178.848 0.20 . 1 . . . . 175 LYS C . 19208 1 800 . 1 1 175 175 LYS CA C 13 58.393 0.20 . 1 . . . . 175 LYS CA . 19208 1 801 . 1 1 175 175 LYS CB C 13 30.385 0.20 . 1 . . . . 175 LYS CB . 19208 1 802 . 1 1 175 175 LYS N N 15 124.375 0.05 . 1 . . . . 175 LYS N . 19208 1 803 . 1 1 176 176 ALA H H 1 8.206 0.01 . 1 . . . . 176 ALA H . 19208 1 804 . 1 1 176 176 ALA C C 13 180.632 0.20 . 1 . . . . 176 ALA C . 19208 1 805 . 1 1 176 176 ALA CA C 13 54.422 0.20 . 1 . . . . 176 ALA CA . 19208 1 806 . 1 1 176 176 ALA CB C 13 17.211 0.20 . 1 . . . . 176 ALA CB . 19208 1 807 . 1 1 176 176 ALA N N 15 119.959 0.05 . 1 . . . . 176 ALA N . 19208 1 808 . 1 1 177 177 THR H H 1 7.558 0.01 . 1 . . . . 177 THR H . 19208 1 809 . 1 1 177 177 THR C C 13 175.111 0.20 . 1 . . . . 177 THR C . 19208 1 810 . 1 1 177 177 THR CA C 13 65.758 0.20 . 1 . . . . 177 THR CA . 19208 1 811 . 1 1 177 177 THR CB C 13 67.906 0.20 . 1 . . . . 177 THR CB . 19208 1 812 . 1 1 177 177 THR N N 15 117.701 0.05 . 1 . . . . 177 THR N . 19208 1 813 . 1 1 178 178 GLN H H 1 8.011 0.01 . 1 . . . . 178 GLN H . 19208 1 814 . 1 1 178 178 GLN C C 13 177.123 0.20 . 1 . . . . 178 GLN C . 19208 1 815 . 1 1 178 178 GLN CA C 13 58.523 0.20 . 1 . . . . 178 GLN CA . 19208 1 816 . 1 1 178 178 GLN CB C 13 27.435 0.20 . 1 . . . . 178 GLN CB . 19208 1 817 . 1 1 178 178 GLN N N 15 121.116 0.05 . 1 . . . . 178 GLN N . 19208 1 818 . 1 1 179 179 GLN H H 1 8.236 0.01 . 1 . . . . 179 GLN H . 19208 1 819 . 1 1 179 179 GLN C C 13 177.659 0.20 . 1 . . . . 179 GLN C . 19208 1 820 . 1 1 179 179 GLN CA C 13 57.608 0.20 . 1 . . . . 179 GLN CA . 19208 1 821 . 1 1 179 179 GLN CB C 13 27.517 0.20 . 1 . . . . 179 GLN CB . 19208 1 822 . 1 1 179 179 GLN N N 15 115.571 0.05 . 1 . . . . 179 GLN N . 19208 1 823 . 1 1 180 180 GLN H H 1 7.599 0.01 . 1 . . . . 180 GLN H . 19208 1 824 . 1 1 180 180 GLN C C 13 177.772 0.20 . 1 . . . . 180 GLN C . 19208 1 825 . 1 1 180 180 GLN CA C 13 58.387 0.20 . 1 . . . . 180 GLN CA . 19208 1 826 . 1 1 180 180 GLN CB C 13 27.439 0.20 . 1 . . . . 180 GLN CB . 19208 1 827 . 1 1 180 180 GLN N N 15 118.584 0.05 . 1 . . . . 180 GLN N . 19208 1 828 . 1 1 181 181 LEU H H 1 7.886 0.01 . 1 . . . . 181 LEU H . 19208 1 829 . 1 1 181 181 LEU C C 13 180.637 0.20 . 1 . . . . 181 LEU C . 19208 1 830 . 1 1 181 181 LEU CA C 13 57.322 0.20 . 1 . . . . 181 LEU CA . 19208 1 831 . 1 1 181 181 LEU CB C 13 43.377 0.20 . 1 . . . . 181 LEU CB . 19208 1 832 . 1 1 181 181 LEU N N 15 116.552 0.05 . 1 . . . . 181 LEU N . 19208 1 833 . 1 1 182 182 ILE H H 1 7.920 0.01 . 1 . . . . 182 ILE H . 19208 1 834 . 1 1 182 182 ILE C C 13 179.981 0.20 . 1 . . . . 182 ILE C . 19208 1 835 . 1 1 182 182 ILE CA C 13 64.628 0.20 . 1 . . . . 182 ILE CA . 19208 1 836 . 1 1 182 182 ILE CB C 13 37.358 0.20 . 1 . . . . 182 ILE CB . 19208 1 837 . 1 1 182 182 ILE N N 15 122.630 0.05 . 1 . . . . 182 ILE N . 19208 1 838 . 1 1 183 183 ASP H H 1 8.930 0.01 . 1 . . . . 183 ASP H . 19208 1 839 . 1 1 183 183 ASP C C 13 177.608 0.20 . 1 . . . . 183 ASP C . 19208 1 840 . 1 1 183 183 ASP CA C 13 56.688 0.20 . 1 . . . . 183 ASP CA . 19208 1 841 . 1 1 183 183 ASP CB C 13 38.944 0.20 . 1 . . . . 183 ASP CB . 19208 1 842 . 1 1 183 183 ASP N N 15 125.434 0.05 . 1 . . . . 183 ASP N . 19208 1 843 . 1 1 184 184 ASP H H 1 7.780 0.01 . 1 . . . . 184 ASP H . 19208 1 844 . 1 1 184 184 ASP C C 13 173.908 0.20 . 1 . . . . 184 ASP C . 19208 1 845 . 1 1 184 184 ASP CA C 13 53.963 0.20 . 1 . . . . 184 ASP CA . 19208 1 846 . 1 1 184 184 ASP CB C 13 40.345 0.20 . 1 . . . . 184 ASP CB . 19208 1 847 . 1 1 184 184 ASP N N 15 116.414 0.05 . 1 . . . . 184 ASP N . 19208 1 848 . 1 1 185 185 HIS H H 1 7.533 0.01 . 1 . . . . 185 HIS H . 19208 1 849 . 1 1 185 185 HIS C C 13 173.327 0.20 . 1 . . . . 185 HIS C . 19208 1 850 . 1 1 185 185 HIS CA C 13 56.225 0.20 . 1 . . . . 185 HIS CA . 19208 1 851 . 1 1 185 185 HIS CB C 13 25.455 0.20 . 1 . . . . 185 HIS CB . 19208 1 852 . 1 1 185 185 HIS N N 15 107.744 0.05 . 1 . . . . 185 HIS N . 19208 1 853 . 1 1 186 186 PHE H H 1 7.931 0.01 . 1 . . . . 186 PHE H . 19208 1 854 . 1 1 186 186 PHE C C 13 176.164 0.20 . 1 . . . . 186 PHE C . 19208 1 855 . 1 1 186 186 PHE N N 15 114.583 0.05 . 1 . . . . 186 PHE N . 19208 1 856 . 1 1 187 187 LEU H H 1 7.165 0.01 . 1 . . . . 187 LEU H . 19208 1 857 . 1 1 187 187 LEU C C 13 172.891 0.20 . 1 . . . . 187 LEU C . 19208 1 858 . 1 1 187 187 LEU CA C 13 52.854 0.20 . 1 . . . . 187 LEU CA . 19208 1 859 . 1 1 187 187 LEU CB C 13 45.130 0.20 . 1 . . . . 187 LEU CB . 19208 1 860 . 1 1 187 187 LEU N N 15 120.749 0.05 . 1 . . . . 187 LEU N . 19208 1 861 . 1 1 188 188 PHE C C 13 172.841 0.20 . 1 . . . . 188 PHE C . 19208 1 862 . 1 1 188 188 PHE CA C 13 53.393 0.20 . 1 . . . . 188 PHE CA . 19208 1 863 . 1 1 188 188 PHE CB C 13 37.261 0.20 . 1 . . . . 188 PHE CB . 19208 1 864 . 1 1 189 189 LYS H H 1 8.009 0.01 . 1 . . . . 189 LYS H . 19208 1 865 . 1 1 189 189 LYS C C 13 175.315 0.20 . 1 . . . . 189 LYS C . 19208 1 866 . 1 1 189 189 LYS CA C 13 54.753 0.20 . 1 . . . . 189 LYS CA . 19208 1 867 . 1 1 189 189 LYS CB C 13 32.288 0.20 . 1 . . . . 189 LYS CB . 19208 1 868 . 1 1 189 189 LYS N N 15 118.121 0.05 . 1 . . . . 189 LYS N . 19208 1 869 . 1 1 190 190 GLU H H 1 8.090 0.01 . 1 . . . . 190 GLU H . 19208 1 870 . 1 1 190 190 GLU C C 13 176.281 0.20 . 1 . . . . 190 GLU C . 19208 1 871 . 1 1 190 190 GLU CA C 13 54.693 0.20 . 1 . . . . 190 GLU CA . 19208 1 872 . 1 1 190 190 GLU CB C 13 30.623 0.20 . 1 . . . . 190 GLU CB . 19208 1 873 . 1 1 190 190 GLU N N 15 118.702 0.05 . 1 . . . . 190 GLU N . 19208 1 874 . 1 1 191 191 GLY H H 1 7.756 0.01 . 1 . . . . 191 GLY H . 19208 1 875 . 1 1 191 191 GLY C C 13 174.056 0.20 . 1 . . . . 191 GLY C . 19208 1 876 . 1 1 191 191 GLY CA C 13 45.535 0.20 . 1 . . . . 191 GLY CA . 19208 1 877 . 1 1 191 191 GLY N N 15 109.893 0.05 . 1 . . . . 191 GLY N . 19208 1 878 . 1 1 192 192 ASP H H 1 7.951 0.01 . 1 . . . . 192 ASP H . 19208 1 879 . 1 1 192 192 ASP C C 13 176.878 0.20 . 1 . . . . 192 ASP C . 19208 1 880 . 1 1 192 192 ASP CA C 13 53.485 0.20 . 1 . . . . 192 ASP CA . 19208 1 881 . 1 1 192 192 ASP CB C 13 41.285 0.20 . 1 . . . . 192 ASP CB . 19208 1 882 . 1 1 192 192 ASP N N 15 120.773 0.05 . 1 . . . . 192 ASP N . 19208 1 883 . 1 1 194 194 PHE C C 13 178.368 0.20 . 1 . . . . 194 PHE C . 19208 1 884 . 1 1 194 194 PHE CA C 13 60.633 0.20 . 1 . . . . 194 PHE CA . 19208 1 885 . 1 1 195 195 LEU H H 1 7.789 0.01 . 1 . . . . 195 LEU H . 19208 1 886 . 1 1 195 195 LEU C C 13 179.938 0.20 . 1 . . . . 195 LEU C . 19208 1 887 . 1 1 195 195 LEU CA C 13 56.282 0.20 . 1 . . . . 195 LEU CA . 19208 1 888 . 1 1 195 195 LEU CB C 13 41.181 0.20 . 1 . . . . 195 LEU CB . 19208 1 889 . 1 1 195 195 LEU N N 15 119.123 0.05 . 1 . . . . 195 LEU N . 19208 1 890 . 1 1 196 196 GLN H H 1 9.126 0.01 . 1 . . . . 196 GLN H . 19208 1 891 . 1 1 196 196 GLN C C 13 181.378 0.20 . 1 . . . . 196 GLN C . 19208 1 892 . 1 1 196 196 GLN CA C 13 58.863 0.20 . 1 . . . . 196 GLN CA . 19208 1 893 . 1 1 196 196 GLN CB C 13 27.563 0.20 . 1 . . . . 196 GLN CB . 19208 1 894 . 1 1 196 196 GLN N N 15 120.675 0.05 . 1 . . . . 196 GLN N . 19208 1 895 . 1 1 197 197 THR H H 1 7.217 0.01 . 1 . . . . 197 THR H . 19208 1 896 . 1 1 197 197 THR C C 13 174.058 0.20 . 1 . . . . 197 THR C . 19208 1 897 . 1 1 197 197 THR CA C 13 63.115 0.20 . 1 . . . . 197 THR CA . 19208 1 898 . 1 1 197 197 THR CB C 13 68.917 0.20 . 1 . . . . 197 THR CB . 19208 1 899 . 1 1 197 197 THR N N 15 106.814 0.05 . 1 . . . . 197 THR N . 19208 1 900 . 1 1 198 198 ALA H H 1 6.717 0.01 . 1 . . . . 198 ALA H . 19208 1 901 . 1 1 198 198 ALA C C 13 176.529 0.20 . 1 . . . . 198 ALA C . 19208 1 902 . 1 1 198 198 ALA CA C 13 50.636 0.20 . 1 . . . . 198 ALA CA . 19208 1 903 . 1 1 198 198 ALA CB C 13 18.562 0.20 . 1 . . . . 198 ALA CB . 19208 1 904 . 1 1 198 198 ALA N N 15 120.750 0.05 . 1 . . . . 198 ALA N . 19208 1 905 . 1 1 199 199 ASN H H 1 7.665 0.01 . 1 . . . . 199 ASN H . 19208 1 906 . 1 1 199 199 ASN C C 13 174.351 0.20 . 1 . . . . 199 ASN C . 19208 1 907 . 1 1 199 199 ASN CA C 13 53.756 0.20 . 1 . . . . 199 ASN CA . 19208 1 908 . 1 1 199 199 ASN CB C 13 34.963 0.20 . 1 . . . . 199 ASN CB . 19208 1 909 . 1 1 199 199 ASN N N 15 111.759 0.05 . 1 . . . . 199 ASN N . 19208 1 910 . 1 1 200 200 ALA H H 1 7.309 0.01 . 1 . . . . 200 ALA H . 19208 1 911 . 1 1 200 200 ALA C C 13 175.954 0.20 . 1 . . . . 200 ALA C . 19208 1 912 . 1 1 200 200 ALA CA C 13 51.459 0.20 . 1 . . . . 200 ALA CA . 19208 1 913 . 1 1 200 200 ALA CB C 13 21.096 0.20 . 1 . . . . 200 ALA CB . 19208 1 914 . 1 1 200 200 ALA N N 15 113.144 0.05 . 1 . . . . 200 ALA N . 19208 1 915 . 1 1 201 201 CYS H H 1 8.297 0.01 . 1 . . . . 201 CYS H . 19208 1 916 . 1 1 201 201 CYS C C 13 175.291 0.20 . 1 . . . . 201 CYS C . 19208 1 917 . 1 1 201 201 CYS CA C 13 55.924 0.20 . 1 . . . . 201 CYS CA . 19208 1 918 . 1 1 201 201 CYS CB C 13 28.020 0.20 . 1 . . . . 201 CYS CB . 19208 1 919 . 1 1 201 201 CYS N N 15 115.413 0.05 . 1 . . . . 201 CYS N . 19208 1 920 . 1 1 202 202 ARG H H 1 8.890 0.01 . 1 . . . . 202 ARG H . 19208 1 921 . 1 1 202 202 ARG C C 13 176.805 0.20 . 1 . . . . 202 ARG C . 19208 1 922 . 1 1 202 202 ARG CA C 13 57.693 0.20 . 1 . . . . 202 ARG CA . 19208 1 923 . 1 1 202 202 ARG CB C 13 28.707 0.20 . 1 . . . . 202 ARG CB . 19208 1 924 . 1 1 202 202 ARG N N 15 123.183 0.05 . 1 . . . . 202 ARG N . 19208 1 925 . 1 1 203 203 TYR H H 1 8.475 0.01 . 1 . . . . 203 TYR H . 19208 1 926 . 1 1 203 203 TYR C C 13 174.563 0.20 . 1 . . . . 203 TYR C . 19208 1 927 . 1 1 203 203 TYR CA C 13 57.132 0.20 . 1 . . . . 203 TYR CA . 19208 1 928 . 1 1 203 203 TYR CB C 13 34.438 0.20 . 1 . . . . 203 TYR CB . 19208 1 929 . 1 1 203 203 TYR N N 15 113.906 0.05 . 1 . . . . 203 TYR N . 19208 1 930 . 1 1 204 204 TRP H H 1 7.335 0.01 . 1 . . . . 204 TRP H . 19208 1 931 . 1 1 204 204 TRP C C 13 175.578 0.20 . 1 . . . . 204 TRP C . 19208 1 932 . 1 1 204 204 TRP CA C 13 55.926 0.20 . 1 . . . . 204 TRP CA . 19208 1 933 . 1 1 204 204 TRP CB C 13 28.266 0.20 . 1 . . . . 204 TRP CB . 19208 1 934 . 1 1 204 204 TRP N N 15 122.108 0.05 . 1 . . . . 204 TRP N . 19208 1 935 . 1 1 205 205 PRO C C 13 173.776 0.20 . 1 . . . . 205 PRO C . 19208 1 936 . 1 1 205 205 PRO CA C 13 63.589 0.20 . 1 . . . . 205 PRO CA . 19208 1 937 . 1 1 205 205 PRO CB C 13 31.642 0.20 . 1 . . . . 205 PRO CB . 19208 1 938 . 1 1 206 206 THR H H 1 8.983 0.01 . 1 . . . . 206 THR H . 19208 1 939 . 1 1 206 206 THR C C 13 174.829 0.20 . 1 . . . . 206 THR C . 19208 1 940 . 1 1 206 206 THR CA C 13 65.201 0.20 . 1 . . . . 206 THR CA . 19208 1 941 . 1 1 206 206 THR CB C 13 67.814 0.20 . 1 . . . . 206 THR CB . 19208 1 942 . 1 1 206 206 THR N N 15 124.275 0.05 . 1 . . . . 206 THR N . 19208 1 943 . 1 1 207 207 GLY H H 1 8.795 0.01 . 1 . . . . 207 GLY H . 19208 1 944 . 1 1 207 207 GLY C C 13 171.796 0.20 . 1 . . . . 207 GLY C . 19208 1 945 . 1 1 207 207 GLY CA C 13 44.883 0.20 . 1 . . . . 207 GLY CA . 19208 1 946 . 1 1 207 207 GLY N N 15 113.819 0.05 . 1 . . . . 207 GLY N . 19208 1 947 . 1 1 208 208 ARG H H 1 7.476 0.01 . 1 . . . . 208 ARG H . 19208 1 948 . 1 1 208 208 ARG C C 13 177.798 0.20 . 1 . . . . 208 ARG C . 19208 1 949 . 1 1 208 208 ARG CA C 13 53.902 0.20 . 1 . . . . 208 ARG CA . 19208 1 950 . 1 1 208 208 ARG CB C 13 32.388 0.20 . 1 . . . . 208 ARG CB . 19208 1 951 . 1 1 208 208 ARG N N 15 118.102 0.05 . 1 . . . . 208 ARG N . 19208 1 952 . 1 1 209 209 GLY H H 1 8.257 0.01 . 1 . . . . 209 GLY H . 19208 1 953 . 1 1 209 209 GLY C C 13 170.257 0.20 . 1 . . . . 209 GLY C . 19208 1 954 . 1 1 209 209 GLY CA C 13 46.030 0.20 . 1 . . . . 209 GLY CA . 19208 1 955 . 1 1 209 209 GLY N N 15 105.653 0.05 . 1 . . . . 209 GLY N . 19208 1 956 . 1 1 210 210 ILE H H 1 8.286 0.01 . 1 . . . . 210 ILE H . 19208 1 957 . 1 1 210 210 ILE C C 13 171.357 0.20 . 1 . . . . 210 ILE C . 19208 1 958 . 1 1 210 210 ILE CA C 13 57.162 0.20 . 1 . . . . 210 ILE CA . 19208 1 959 . 1 1 210 210 ILE CB C 13 41.546 0.20 . 1 . . . . 210 ILE CB . 19208 1 960 . 1 1 210 210 ILE N N 15 117.119 0.05 . 1 . . . . 210 ILE N . 19208 1 961 . 1 1 211 211 PHE H H 1 9.677 0.01 . 1 . . . . 211 PHE H . 19208 1 962 . 1 1 211 211 PHE C C 13 175.569 0.20 . 1 . . . . 211 PHE C . 19208 1 963 . 1 1 211 211 PHE CA C 13 54.002 0.20 . 1 . . . . 211 PHE CA . 19208 1 964 . 1 1 211 211 PHE CB C 13 43.549 0.20 . 1 . . . . 211 PHE CB . 19208 1 965 . 1 1 211 211 PHE N N 15 128.418 0.05 . 1 . . . . 211 PHE N . 19208 1 966 . 1 1 212 212 HIS H H 1 7.545 0.01 . 1 . . . . 212 HIS H . 19208 1 967 . 1 1 212 212 HIS C C 13 175.273 0.20 . 1 . . . . 212 HIS C . 19208 1 968 . 1 1 212 212 HIS CA C 13 54.590 0.20 . 1 . . . . 212 HIS CA . 19208 1 969 . 1 1 212 212 HIS CB C 13 31.453 0.20 . 1 . . . . 212 HIS CB . 19208 1 970 . 1 1 212 212 HIS N N 15 118.512 0.05 . 1 . . . . 212 HIS N . 19208 1 971 . 1 1 213 213 ASN H H 1 8.468 0.01 . 1 . . . . 213 ASN H . 19208 1 972 . 1 1 213 213 ASN C C 13 177.510 0.20 . 1 . . . . 213 ASN C . 19208 1 973 . 1 1 213 213 ASN CA C 13 51.712 0.20 . 1 . . . . 213 ASN CA . 19208 1 974 . 1 1 213 213 ASN CB C 13 38.034 0.20 . 1 . . . . 213 ASN CB . 19208 1 975 . 1 1 213 213 ASN N N 15 119.908 0.05 . 1 . . . . 213 ASN N . 19208 1 976 . 1 1 214 214 ASP H H 1 9.060 0.01 . 1 . . . . 214 ASP H . 19208 1 977 . 1 1 214 214 ASP C C 13 178.040 0.20 . 1 . . . . 214 ASP C . 19208 1 978 . 1 1 214 214 ASP CA C 13 57.696 0.20 . 1 . . . . 214 ASP CA . 19208 1 979 . 1 1 214 214 ASP CB C 13 38.867 0.20 . 1 . . . . 214 ASP CB . 19208 1 980 . 1 1 214 214 ASP N N 15 125.195 0.05 . 1 . . . . 214 ASP N . 19208 1 981 . 1 1 215 215 ALA H H 1 8.044 0.01 . 1 . . . . 215 ALA H . 19208 1 982 . 1 1 215 215 ALA C C 13 175.577 0.20 . 1 . . . . 215 ALA C . 19208 1 983 . 1 1 215 215 ALA CA C 13 52.174 0.20 . 1 . . . . 215 ALA CA . 19208 1 984 . 1 1 215 215 ALA CB C 13 18.550 0.20 . 1 . . . . 215 ALA CB . 19208 1 985 . 1 1 215 215 ALA N N 15 118.296 0.05 . 1 . . . . 215 ALA N . 19208 1 986 . 1 1 216 216 LYS H H 1 7.650 0.01 . 1 . . . . 216 LYS H . 19208 1 987 . 1 1 216 216 LYS C C 13 173.474 0.20 . 1 . . . . 216 LYS C . 19208 1 988 . 1 1 216 216 LYS CA C 13 58.532 0.20 . 1 . . . . 216 LYS CA . 19208 1 989 . 1 1 216 216 LYS CB C 13 27.902 0.20 . 1 . . . . 216 LYS CB . 19208 1 990 . 1 1 216 216 LYS N N 15 113.467 0.05 . 1 . . . . 216 LYS N . 19208 1 991 . 1 1 217 217 THR H H 1 8.220 0.01 . 1 . . . . 217 THR H . 19208 1 992 . 1 1 217 217 THR C C 13 175.225 0.20 . 1 . . . . 217 THR C . 19208 1 993 . 1 1 217 217 THR CA C 13 59.453 0.20 . 1 . . . . 217 THR CA . 19208 1 994 . 1 1 217 217 THR CB C 13 70.378 0.20 . 1 . . . . 217 THR CB . 19208 1 995 . 1 1 217 217 THR N N 15 104.626 0.05 . 1 . . . . 217 THR N . 19208 1 996 . 1 1 218 218 PHE H H 1 7.642 0.01 . 1 . . . . 218 PHE H . 19208 1 997 . 1 1 218 218 PHE C C 13 173.149 0.20 . 1 . . . . 218 PHE C . 19208 1 998 . 1 1 218 218 PHE CA C 13 54.799 0.20 . 1 . . . . 218 PHE CA . 19208 1 999 . 1 1 218 218 PHE CB C 13 41.631 0.20 . 1 . . . . 218 PHE CB . 19208 1 1000 . 1 1 218 218 PHE N N 15 121.393 0.05 . 1 . . . . 218 PHE N . 19208 1 1001 . 1 1 219 219 LEU H H 1 8.787 0.01 . 1 . . . . 219 LEU H . 19208 1 1002 . 1 1 219 219 LEU C C 13 174.059 0.20 . 1 . . . . 219 LEU C . 19208 1 1003 . 1 1 219 219 LEU CA C 13 52.230 0.20 . 1 . . . . 219 LEU CA . 19208 1 1004 . 1 1 219 219 LEU CB C 13 44.694 0.20 . 1 . . . . 219 LEU CB . 19208 1 1005 . 1 1 219 219 LEU N N 15 124.821 0.05 . 1 . . . . 219 LEU N . 19208 1 1006 . 1 1 220 220 VAL H H 1 9.241 0.01 . 1 . . . . 220 VAL H . 19208 1 1007 . 1 1 220 220 VAL C C 13 176.705 0.20 . 1 . . . . 220 VAL C . 19208 1 1008 . 1 1 220 220 VAL CA C 13 59.374 0.20 . 1 . . . . 220 VAL CA . 19208 1 1009 . 1 1 220 220 VAL CB C 13 35.377 0.20 . 1 . . . . 220 VAL CB . 19208 1 1010 . 1 1 220 220 VAL N N 15 117.497 0.05 . 1 . . . . 220 VAL N . 19208 1 1011 . 1 1 221 221 TRP H H 1 9.308 0.01 . 1 . . . . 221 TRP H . 19208 1 1012 . 1 1 221 221 TRP C C 13 176.272 0.20 . 1 . . . . 221 TRP C . 19208 1 1013 . 1 1 221 221 TRP CA C 13 52.954 0.20 . 1 . . . . 221 TRP CA . 19208 1 1014 . 1 1 221 221 TRP CB C 13 31.418 0.20 . 1 . . . . 221 TRP CB . 19208 1 1015 . 1 1 221 221 TRP N N 15 125.702 0.05 . 1 . . . . 221 TRP N . 19208 1 1016 . 1 1 222 222 VAL H H 1 9.156 0.01 . 1 . . . . 222 VAL H . 19208 1 1017 . 1 1 222 222 VAL C C 13 174.305 0.20 . 1 . . . . 222 VAL C . 19208 1 1018 . 1 1 222 222 VAL CA C 13 61.739 0.20 . 1 . . . . 222 VAL CA . 19208 1 1019 . 1 1 222 222 VAL CB C 13 31.831 0.20 . 1 . . . . 222 VAL CB . 19208 1 1020 . 1 1 222 222 VAL N N 15 127.815 0.05 . 1 . . . . 222 VAL N . 19208 1 1021 . 1 1 223 223 ASN H H 1 9.061 0.01 . 1 . . . . 223 ASN H . 19208 1 1022 . 1 1 223 223 ASN C C 13 173.130 0.20 . 1 . . . . 223 ASN C . 19208 1 1023 . 1 1 223 223 ASN CA C 13 55.150 0.20 . 1 . . . . 223 ASN CA . 19208 1 1024 . 1 1 223 223 ASN CB C 13 35.548 0.20 . 1 . . . . 223 ASN CB . 19208 1 1025 . 1 1 223 223 ASN N N 15 118.667 0.05 . 1 . . . . 223 ASN N . 19208 1 1026 . 1 1 227 227 HIS C C 13 177.293 0.20 . 1 . . . . 227 HIS C . 19208 1 1027 . 1 1 227 227 HIS CA C 13 57.701 0.20 . 1 . . . . 227 HIS CA . 19208 1 1028 . 1 1 227 227 HIS CB C 13 31.019 0.20 . 1 . . . . 227 HIS CB . 19208 1 1029 . 1 1 228 228 LEU H H 1 8.019 0.01 . 1 . . . . 228 LEU H . 19208 1 1030 . 1 1 228 228 LEU C C 13 177.730 0.20 . 1 . . . . 228 LEU C . 19208 1 1031 . 1 1 228 228 LEU CA C 13 54.369 0.20 . 1 . . . . 228 LEU CA . 19208 1 1032 . 1 1 228 228 LEU CB C 13 46.185 0.20 . 1 . . . . 228 LEU CB . 19208 1 1033 . 1 1 228 228 LEU N N 15 110.311 0.05 . 1 . . . . 228 LEU N . 19208 1 1034 . 1 1 229 229 ARG H H 1 8.179 0.01 . 1 . . . . 229 ARG H . 19208 1 1035 . 1 1 229 229 ARG C C 13 174.255 0.20 . 1 . . . . 229 ARG C . 19208 1 1036 . 1 1 229 229 ARG CA C 13 53.614 0.20 . 1 . . . . 229 ARG CA . 19208 1 1037 . 1 1 229 229 ARG CB C 13 31.243 0.20 . 1 . . . . 229 ARG CB . 19208 1 1038 . 1 1 229 229 ARG N N 15 117.421 0.05 . 1 . . . . 229 ARG N . 19208 1 1039 . 1 1 230 230 ILE H H 1 8.676 0.01 . 1 . . . . 230 ILE H . 19208 1 1040 . 1 1 230 230 ILE C C 13 173.714 0.20 . 1 . . . . 230 ILE C . 19208 1 1041 . 1 1 230 230 ILE CA C 13 61.302 0.20 . 1 . . . . 230 ILE CA . 19208 1 1042 . 1 1 230 230 ILE CB C 13 38.766 0.20 . 1 . . . . 230 ILE CB . 19208 1 1043 . 1 1 230 230 ILE N N 15 124.566 0.05 . 1 . . . . 230 ILE N . 19208 1 1044 . 1 1 231 231 ILE H H 1 8.999 0.01 . 1 . . . . 231 ILE H . 19208 1 1045 . 1 1 231 231 ILE C C 13 173.595 0.20 . 1 . . . . 231 ILE C . 19208 1 1046 . 1 1 231 231 ILE CA C 13 60.619 0.20 . 1 . . . . 231 ILE CA . 19208 1 1047 . 1 1 231 231 ILE CB C 13 40.876 0.20 . 1 . . . . 231 ILE CB . 19208 1 1048 . 1 1 231 231 ILE N N 15 126.473 0.05 . 1 . . . . 231 ILE N . 19208 1 1049 . 1 1 232 232 SER H H 1 8.424 0.01 . 1 . . . . 232 SER H . 19208 1 1050 . 1 1 232 232 SER C C 13 173.884 0.20 . 1 . . . . 232 SER C . 19208 1 1051 . 1 1 232 232 SER CA C 13 53.314 0.20 . 1 . . . . 232 SER CA . 19208 1 1052 . 1 1 232 232 SER CB C 13 64.918 0.20 . 1 . . . . 232 SER CB . 19208 1 1053 . 1 1 232 232 SER N N 15 119.358 0.05 . 1 . . . . 232 SER N . 19208 1 1054 . 1 1 233 233 MET H H 1 8.857 0.01 . 1 . . . . 233 MET H . 19208 1 1055 . 1 1 233 233 MET C C 13 173.051 0.20 . 1 . . . . 233 MET C . 19208 1 1056 . 1 1 233 233 MET CA C 13 55.028 0.20 . 1 . . . . 233 MET CA . 19208 1 1057 . 1 1 233 233 MET CB C 13 35.605 0.20 . 1 . . . . 233 MET CB . 19208 1 1058 . 1 1 233 233 MET N N 15 122.477 0.05 . 1 . . . . 233 MET N . 19208 1 1059 . 1 1 234 234 GLN H H 1 8.243 0.01 . 1 . . . . 234 GLN H . 19208 1 1060 . 1 1 234 234 GLN C C 13 173.875 0.20 . 1 . . . . 234 GLN C . 19208 1 1061 . 1 1 234 234 GLN CA C 13 54.361 0.20 . 1 . . . . 234 GLN CA . 19208 1 1062 . 1 1 234 234 GLN CB C 13 30.857 0.20 . 1 . . . . 234 GLN CB . 19208 1 1063 . 1 1 234 234 GLN N N 15 110.933 0.05 . 1 . . . . 234 GLN N . 19208 1 1064 . 1 1 235 235 LYS H H 1 8.284 0.01 . 1 . . . . 235 LYS H . 19208 1 1065 . 1 1 235 235 LYS C C 13 178.016 0.20 . 1 . . . . 235 LYS C . 19208 1 1066 . 1 1 235 235 LYS CA C 13 55.942 0.20 . 1 . . . . 235 LYS CA . 19208 1 1067 . 1 1 235 235 LYS CB C 13 31.961 0.20 . 1 . . . . 235 LYS CB . 19208 1 1068 . 1 1 235 235 LYS N N 15 117.391 0.05 . 1 . . . . 235 LYS N . 19208 1 1069 . 1 1 236 236 GLY H H 1 8.463 0.01 . 1 . . . . 236 GLY H . 19208 1 1070 . 1 1 236 236 GLY C C 13 173.219 0.20 . 1 . . . . 236 GLY C . 19208 1 1071 . 1 1 236 236 GLY CA C 13 44.171 0.20 . 1 . . . . 236 GLY CA . 19208 1 1072 . 1 1 236 236 GLY N N 15 111.557 0.05 . 1 . . . . 236 GLY N . 19208 1 1073 . 1 1 237 237 GLY H H 1 8.581 0.01 . 1 . . . . 237 GLY H . 19208 1 1074 . 1 1 237 237 GLY C C 13 175.418 0.20 . 1 . . . . 237 GLY C . 19208 1 1075 . 1 1 237 237 GLY CA C 13 45.470 0.20 . 1 . . . . 237 GLY CA . 19208 1 1076 . 1 1 237 237 GLY N N 15 105.896 0.05 . 1 . . . . 237 GLY N . 19208 1 1077 . 1 1 238 238 ASP H H 1 8.494 0.01 . 1 . . . . 238 ASP H . 19208 1 1078 . 1 1 238 238 ASP C C 13 174.215 0.20 . 1 . . . . 238 ASP C . 19208 1 1079 . 1 1 238 238 ASP CA C 13 53.064 0.20 . 1 . . . . 238 ASP CA . 19208 1 1080 . 1 1 238 238 ASP CB C 13 37.244 0.20 . 1 . . . . 238 ASP CB . 19208 1 1081 . 1 1 238 238 ASP N N 15 119.910 0.05 . 1 . . . . 238 ASP N . 19208 1 1082 . 1 1 239 239 LEU H H 1 8.360 0.01 . 1 . . . . 239 LEU H . 19208 1 1083 . 1 1 239 239 LEU C C 13 176.635 0.20 . 1 . . . . 239 LEU C . 19208 1 1084 . 1 1 239 239 LEU CA C 13 56.464 0.20 . 1 . . . . 239 LEU CA . 19208 1 1085 . 1 1 239 239 LEU CB C 13 41.134 0.20 . 1 . . . . 239 LEU CB . 19208 1 1086 . 1 1 239 239 LEU N N 15 128.185 0.05 . 1 . . . . 239 LEU N . 19208 1 1087 . 1 1 240 240 LYS H H 1 6.867 0.01 . 1 . . . . 240 LYS H . 19208 1 1088 . 1 1 240 240 LYS C C 13 177.507 0.20 . 1 . . . . 240 LYS C . 19208 1 1089 . 1 1 240 240 LYS CA C 13 60.266 0.20 . 1 . . . . 240 LYS CA . 19208 1 1090 . 1 1 240 240 LYS CB C 13 30.274 0.20 . 1 . . . . 240 LYS CB . 19208 1 1091 . 1 1 240 240 LYS N N 15 117.213 0.05 . 1 . . . . 240 LYS N . 19208 1 1092 . 1 1 241 241 THR H H 1 7.204 0.01 . 1 . . . . 241 THR H . 19208 1 1093 . 1 1 241 241 THR C C 13 177.007 0.20 . 1 . . . . 241 THR C . 19208 1 1094 . 1 1 241 241 THR CA C 13 65.996 0.20 . 1 . . . . 241 THR CA . 19208 1 1095 . 1 1 241 241 THR CB C 13 67.081 0.20 . 1 . . . . 241 THR CB . 19208 1 1096 . 1 1 241 241 THR N N 15 115.702 0.05 . 1 . . . . 241 THR N . 19208 1 1097 . 1 1 242 242 VAL H H 1 7.674 0.01 . 1 . . . . 242 VAL H . 19208 1 1098 . 1 1 242 242 VAL C C 13 178.989 0.20 . 1 . . . . 242 VAL C . 19208 1 1099 . 1 1 242 242 VAL CA C 13 66.039 0.20 . 1 . . . . 242 VAL CA . 19208 1 1100 . 1 1 242 242 VAL CB C 13 31.261 0.20 . 1 . . . . 242 VAL CB . 19208 1 1101 . 1 1 242 242 VAL N N 15 120.674 0.05 . 1 . . . . 242 VAL N . 19208 1 1102 . 1 1 243 243 TYR H H 1 9.147 0.01 . 1 . . . . 243 TYR H . 19208 1 1103 . 1 1 243 243 TYR C C 13 175.544 0.20 . 1 . . . . 243 TYR C . 19208 1 1104 . 1 1 243 243 TYR CA C 13 60.958 0.20 . 1 . . . . 243 TYR CA . 19208 1 1105 . 1 1 243 243 TYR CB C 13 38.800 0.20 . 1 . . . . 243 TYR CB . 19208 1 1106 . 1 1 243 243 TYR N N 15 122.444 0.05 . 1 . . . . 243 TYR N . 19208 1 1107 . 1 1 244 244 LYS H H 1 8.367 0.01 . 1 . . . . 244 LYS H . 19208 1 1108 . 1 1 244 244 LYS C C 13 178.030 0.20 . 1 . . . . 244 LYS C . 19208 1 1109 . 1 1 244 244 LYS CA C 13 62.524 0.20 . 1 . . . . 244 LYS CA . 19208 1 1110 . 1 1 244 244 LYS CB C 13 31.326 0.20 . 1 . . . . 244 LYS CB . 19208 1 1111 . 1 1 244 244 LYS N N 15 118.210 0.05 . 1 . . . . 244 LYS N . 19208 1 1112 . 1 1 245 245 ARG H H 1 7.322 0.01 . 1 . . . . 245 ARG H . 19208 1 1113 . 1 1 245 245 ARG C C 13 176.742 0.20 . 1 . . . . 245 ARG C . 19208 1 1114 . 1 1 245 245 ARG CA C 13 58.698 0.20 . 1 . . . . 245 ARG CA . 19208 1 1115 . 1 1 245 245 ARG CB C 13 28.633 0.20 . 1 . . . . 245 ARG CB . 19208 1 1116 . 1 1 245 245 ARG N N 15 118.738 0.05 . 1 . . . . 245 ARG N . 19208 1 1117 . 1 1 246 246 LEU H H 1 6.933 0.01 . 1 . . . . 246 LEU H . 19208 1 1118 . 1 1 246 246 LEU C C 13 176.947 0.20 . 1 . . . . 246 LEU C . 19208 1 1119 . 1 1 246 246 LEU CA C 13 57.299 0.20 . 1 . . . . 246 LEU CA . 19208 1 1120 . 1 1 246 246 LEU CB C 13 40.251 0.20 . 1 . . . . 246 LEU CB . 19208 1 1121 . 1 1 246 246 LEU N N 15 118.039 0.05 . 1 . . . . 246 LEU N . 19208 1 1122 . 1 1 247 247 VAL H H 1 7.787 0.01 . 1 . . . . 247 VAL H . 19208 1 1123 . 1 1 247 247 VAL C C 13 177.035 0.20 . 1 . . . . 247 VAL C . 19208 1 1124 . 1 1 247 247 VAL CA C 13 65.319 0.20 . 1 . . . . 247 VAL CA . 19208 1 1125 . 1 1 247 247 VAL CB C 13 29.540 0.20 . 1 . . . . 247 VAL CB . 19208 1 1126 . 1 1 247 247 VAL N N 15 118.078 0.05 . 1 . . . . 247 VAL N . 19208 1 1127 . 1 1 248 248 THR H H 1 7.165 0.01 . 1 . . . . 248 THR H . 19208 1 1128 . 1 1 248 248 THR C C 13 176.652 0.20 . 1 . . . . 248 THR C . 19208 1 1129 . 1 1 248 248 THR CA C 13 65.111 0.20 . 1 . . . . 248 THR CA . 19208 1 1130 . 1 1 248 248 THR CB C 13 68.347 0.20 . 1 . . . . 248 THR CB . 19208 1 1131 . 1 1 248 248 THR N N 15 111.807 0.05 . 1 . . . . 248 THR N . 19208 1 1132 . 1 1 249 249 ALA H H 1 7.628 0.01 . 1 . . . . 249 ALA H . 19208 1 1133 . 1 1 249 249 ALA C C 13 179.146 0.20 . 1 . . . . 249 ALA C . 19208 1 1134 . 1 1 249 249 ALA CA C 13 54.751 0.20 . 1 . . . . 249 ALA CA . 19208 1 1135 . 1 1 249 249 ALA CB C 13 19.614 0.20 . 1 . . . . 249 ALA CB . 19208 1 1136 . 1 1 249 249 ALA N N 15 122.522 0.05 . 1 . . . . 249 ALA N . 19208 1 1137 . 1 1 250 250 VAL H H 1 8.993 0.01 . 1 . . . . 250 VAL H . 19208 1 1138 . 1 1 250 250 VAL C C 13 177.708 0.20 . 1 . . . . 250 VAL C . 19208 1 1139 . 1 1 250 250 VAL CA C 13 67.262 0.20 . 1 . . . . 250 VAL CA . 19208 1 1140 . 1 1 250 250 VAL CB C 13 30.240 0.20 . 1 . . . . 250 VAL CB . 19208 1 1141 . 1 1 250 250 VAL N N 15 117.953 0.05 . 1 . . . . 250 VAL N . 19208 1 1142 . 1 1 251 251 ASP H H 1 8.239 0.01 . 1 . . . . 251 ASP H . 19208 1 1143 . 1 1 251 251 ASP C C 13 179.453 0.20 . 1 . . . . 251 ASP C . 19208 1 1144 . 1 1 251 251 ASP CA C 13 57.160 0.20 . 1 . . . . 251 ASP CA . 19208 1 1145 . 1 1 251 251 ASP CB C 13 38.379 0.20 . 1 . . . . 251 ASP CB . 19208 1 1146 . 1 1 251 251 ASP N N 15 118.511 0.05 . 1 . . . . 251 ASP N . 19208 1 1147 . 1 1 252 252 ASN H H 1 7.479 0.01 . 1 . . . . 252 ASN H . 19208 1 1148 . 1 1 252 252 ASN C C 13 178.425 0.20 . 1 . . . . 252 ASN C . 19208 1 1149 . 1 1 252 252 ASN CA C 13 56.281 0.20 . 1 . . . . 252 ASN CA . 19208 1 1150 . 1 1 252 252 ASN CB C 13 38.699 0.20 . 1 . . . . 252 ASN CB . 19208 1 1151 . 1 1 252 252 ASN N N 15 117.567 0.05 . 1 . . . . 252 ASN N . 19208 1 1152 . 1 1 253 253 ILE H H 1 8.530 0.01 . 1 . . . . 253 ILE H . 19208 1 1153 . 1 1 253 253 ILE C C 13 178.063 0.20 . 1 . . . . 253 ILE C . 19208 1 1154 . 1 1 253 253 ILE CA C 13 65.936 0.20 . 1 . . . . 253 ILE CA . 19208 1 1155 . 1 1 253 253 ILE CB C 13 37.300 0.20 . 1 . . . . 253 ILE CB . 19208 1 1156 . 1 1 253 253 ILE N N 15 120.966 0.05 . 1 . . . . 253 ILE N . 19208 1 1157 . 1 1 254 254 GLU H H 1 9.004 0.01 . 1 . . . . 254 GLU H . 19208 1 1158 . 1 1 254 254 GLU C C 13 177.035 0.20 . 1 . . . . 254 GLU C . 19208 1 1159 . 1 1 254 254 GLU CA C 13 58.013 0.20 . 1 . . . . 254 GLU CA . 19208 1 1160 . 1 1 254 254 GLU CB C 13 29.234 0.20 . 1 . . . . 254 GLU CB . 19208 1 1161 . 1 1 254 254 GLU N N 15 119.669 0.05 . 1 . . . . 254 GLU N . 19208 1 1162 . 1 1 255 255 SER H H 1 7.184 0.01 . 1 . . . . 255 SER H . 19208 1 1163 . 1 1 255 255 SER C C 13 174.274 0.20 . 1 . . . . 255 SER C . 19208 1 1164 . 1 1 255 255 SER CA C 13 59.628 0.20 . 1 . . . . 255 SER CA . 19208 1 1165 . 1 1 255 255 SER CB C 13 62.856 0.20 . 1 . . . . 255 SER CB . 19208 1 1166 . 1 1 255 255 SER N N 15 111.123 0.05 . 1 . . . . 255 SER N . 19208 1 1167 . 1 1 256 256 LYS H H 1 7.389 0.01 . 1 . . . . 256 LYS H . 19208 1 1168 . 1 1 256 256 LYS C C 13 175.697 0.20 . 1 . . . . 256 LYS C . 19208 1 1169 . 1 1 256 256 LYS CA C 13 56.204 0.20 . 1 . . . . 256 LYS CA . 19208 1 1170 . 1 1 256 256 LYS CB C 13 34.977 0.20 . 1 . . . . 256 LYS CB . 19208 1 1171 . 1 1 256 256 LYS N N 15 119.836 0.05 . 1 . . . . 256 LYS N . 19208 1 1172 . 1 1 257 257 LEU H H 1 7.472 0.01 . 1 . . . . 257 LEU H . 19208 1 1173 . 1 1 257 257 LEU C C 13 171.817 0.20 . 1 . . . . 257 LEU C . 19208 1 1174 . 1 1 257 257 LEU CA C 13 50.563 0.20 . 1 . . . . 257 LEU CA . 19208 1 1175 . 1 1 257 257 LEU CB C 13 44.226 0.20 . 1 . . . . 257 LEU CB . 19208 1 1176 . 1 1 257 257 LEU N N 15 121.016 0.05 . 1 . . . . 257 LEU N . 19208 1 1177 . 1 1 258 258 PRO C C 13 177.019 0.20 . 1 . . . . 258 PRO C . 19208 1 1178 . 1 1 258 258 PRO CA C 13 61.092 0.20 . 1 . . . . 258 PRO CA . 19208 1 1179 . 1 1 258 258 PRO CB C 13 30.624 0.20 . 1 . . . . 258 PRO CB . 19208 1 1180 . 1 1 259 259 PHE H H 1 8.478 0.01 . 1 . . . . 259 PHE H . 19208 1 1181 . 1 1 259 259 PHE C C 13 177.357 0.20 . 1 . . . . 259 PHE C . 19208 1 1182 . 1 1 259 259 PHE CA C 13 53.743 0.20 . 1 . . . . 259 PHE CA . 19208 1 1183 . 1 1 259 259 PHE CB C 13 40.658 0.20 . 1 . . . . 259 PHE CB . 19208 1 1184 . 1 1 259 259 PHE N N 15 123.008 0.05 . 1 . . . . 259 PHE N . 19208 1 1185 . 1 1 260 260 SER H H 1 9.170 0.01 . 1 . . . . 260 SER H . 19208 1 1186 . 1 1 260 260 SER C C 13 173.849 0.20 . 1 . . . . 260 SER C . 19208 1 1187 . 1 1 260 260 SER CA C 13 58.747 0.20 . 1 . . . . 260 SER CA . 19208 1 1188 . 1 1 260 260 SER CB C 13 63.110 0.20 . 1 . . . . 260 SER CB . 19208 1 1189 . 1 1 260 260 SER N N 15 117.747 0.05 . 1 . . . . 260 SER N . 19208 1 1190 . 1 1 261 261 HIS H H 1 9.043 0.01 . 1 . . . . 261 HIS H . 19208 1 1191 . 1 1 261 261 HIS C C 13 170.986 0.20 . 1 . . . . 261 HIS C . 19208 1 1192 . 1 1 261 261 HIS CA C 13 55.380 0.20 . 1 . . . . 261 HIS CA . 19208 1 1193 . 1 1 261 261 HIS CB C 13 31.140 0.20 . 1 . . . . 261 HIS CB . 19208 1 1194 . 1 1 261 261 HIS N N 15 129.016 0.05 . 1 . . . . 261 HIS N . 19208 1 1195 . 1 1 262 262 ASP H H 1 8.556 0.01 . 1 . . . . 262 ASP H . 19208 1 1196 . 1 1 262 262 ASP C C 13 174.909 0.20 . 1 . . . . 262 ASP C . 19208 1 1197 . 1 1 262 262 ASP CA C 13 52.174 0.20 . 1 . . . . 262 ASP CA . 19208 1 1198 . 1 1 262 262 ASP CB C 13 47.231 0.20 . 1 . . . . 262 ASP CB . 19208 1 1199 . 1 1 262 262 ASP N N 15 128.374 0.05 . 1 . . . . 262 ASP N . 19208 1 1200 . 1 1 263 263 ASP H H 1 8.644 0.01 . 1 . . . . 263 ASP H . 19208 1 1201 . 1 1 263 263 ASP C C 13 175.726 0.20 . 1 . . . . 263 ASP C . 19208 1 1202 . 1 1 263 263 ASP CA C 13 56.677 0.20 . 1 . . . . 263 ASP CA . 19208 1 1203 . 1 1 263 263 ASP CB C 13 40.075 0.20 . 1 . . . . 263 ASP CB . 19208 1 1204 . 1 1 263 263 ASP N N 15 124.710 0.05 . 1 . . . . 263 ASP N . 19208 1 1205 . 1 1 264 264 ARG H H 1 8.035 0.01 . 1 . . . . 264 ARG H . 19208 1 1206 . 1 1 264 264 ARG C C 13 176.990 0.20 . 1 . . . . 264 ARG C . 19208 1 1207 . 1 1 264 264 ARG CA C 13 57.931 0.20 . 1 . . . . 264 ARG CA . 19208 1 1208 . 1 1 264 264 ARG CB C 13 29.407 0.20 . 1 . . . . 264 ARG CB . 19208 1 1209 . 1 1 264 264 ARG N N 15 116.475 0.05 . 1 . . . . 264 ARG N . 19208 1 1210 . 1 1 265 265 PHE H H 1 8.584 0.01 . 1 . . . . 265 PHE H . 19208 1 1211 . 1 1 265 265 PHE C C 13 173.932 0.20 . 1 . . . . 265 PHE C . 19208 1 1212 . 1 1 265 265 PHE CA C 13 56.515 0.20 . 1 . . . . 265 PHE CA . 19208 1 1213 . 1 1 265 265 PHE CB C 13 39.293 0.20 . 1 . . . . 265 PHE CB . 19208 1 1214 . 1 1 265 265 PHE N N 15 114.375 0.05 . 1 . . . . 265 PHE N . 19208 1 1215 . 1 1 266 266 GLY H H 1 7.540 0.01 . 1 . . . . 266 GLY H . 19208 1 1216 . 1 1 266 266 GLY C C 13 175.330 0.20 . 1 . . . . 266 GLY C . 19208 1 1217 . 1 1 266 266 GLY CA C 13 44.879 0.20 . 1 . . . . 266 GLY CA . 19208 1 1218 . 1 1 266 266 GLY N N 15 105.798 0.05 . 1 . . . . 266 GLY N . 19208 1 1219 . 1 1 267 267 PHE H H 1 7.854 0.01 . 1 . . . . 267 PHE H . 19208 1 1220 . 1 1 267 267 PHE C C 13 174.239 0.20 . 1 . . . . 267 PHE C . 19208 1 1221 . 1 1 267 267 PHE CA C 13 60.962 0.20 . 1 . . . . 267 PHE CA . 19208 1 1222 . 1 1 267 267 PHE CB C 13 37.402 0.20 . 1 . . . . 267 PHE CB . 19208 1 1223 . 1 1 267 267 PHE N N 15 123.407 0.05 . 1 . . . . 267 PHE N . 19208 1 1224 . 1 1 268 268 LEU H H 1 6.469 0.01 . 1 . . . . 268 LEU H . 19208 1 1225 . 1 1 268 268 LEU C C 13 177.601 0.20 . 1 . . . . 268 LEU C . 19208 1 1226 . 1 1 268 268 LEU CA C 13 54.936 0.20 . 1 . . . . 268 LEU CA . 19208 1 1227 . 1 1 268 268 LEU CB C 13 43.406 0.20 . 1 . . . . 268 LEU CB . 19208 1 1228 . 1 1 268 268 LEU N N 15 117.162 0.05 . 1 . . . . 268 LEU N . 19208 1 1229 . 1 1 269 269 THR H H 1 6.407 0.01 . 1 . . . . 269 THR H . 19208 1 1230 . 1 1 269 269 THR C C 13 171.880 0.20 . 1 . . . . 269 THR C . 19208 1 1231 . 1 1 269 269 THR CA C 13 59.883 0.20 . 1 . . . . 269 THR CA . 19208 1 1232 . 1 1 269 269 THR CB C 13 71.629 0.20 . 1 . . . . 269 THR CB . 19208 1 1233 . 1 1 269 269 THR N N 15 111.723 0.05 . 1 . . . . 269 THR N . 19208 1 1234 . 1 1 270 270 PHE H H 1 9.055 0.01 . 1 . . . . 270 PHE H . 19208 1 1235 . 1 1 270 270 PHE C C 13 174.786 0.20 . 1 . . . . 270 PHE C . 19208 1 1236 . 1 1 270 270 PHE N N 15 123.629 0.05 . 1 . . . . 270 PHE N . 19208 1 1237 . 1 1 271 271 CYS H H 1 9.016 0.01 . 1 . . . . 271 CYS H . 19208 1 1238 . 1 1 271 271 CYS N N 15 119.165 0.05 . 1 . . . . 271 CYS N . 19208 1 1239 . 1 1 274 274 ASN C C 13 171.724 0.20 . 1 . . . . 274 ASN C . 19208 1 1240 . 1 1 275 275 LEU H H 1 5.894 0.01 . 1 . . . . 275 LEU H . 19208 1 1241 . 1 1 275 275 LEU C C 13 176.422 0.20 . 1 . . . . 275 LEU C . 19208 1 1242 . 1 1 275 275 LEU CA C 13 53.923 0.20 . 1 . . . . 275 LEU CA . 19208 1 1243 . 1 1 275 275 LEU CB C 13 45.054 0.20 . 1 . . . . 275 LEU CB . 19208 1 1244 . 1 1 275 275 LEU N N 15 113.352 0.05 . 1 . . . . 275 LEU N . 19208 1 1245 . 1 1 276 276 GLY H H 1 7.166 0.01 . 1 . . . . 276 GLY H . 19208 1 1246 . 1 1 276 276 GLY C C 13 176.121 0.20 . 1 . . . . 276 GLY C . 19208 1 1247 . 1 1 276 276 GLY CA C 13 46.418 0.20 . 1 . . . . 276 GLY CA . 19208 1 1248 . 1 1 276 276 GLY N N 15 103.537 0.05 . 1 . . . . 276 GLY N . 19208 1 1249 . 1 1 277 277 THR H H 1 8.791 0.01 . 1 . . . . 277 THR H . 19208 1 1250 . 1 1 277 277 THR C C 13 180.300 0.20 . 1 . . . . 277 THR C . 19208 1 1251 . 1 1 277 277 THR CA C 13 62.697 0.20 . 1 . . . . 277 THR CA . 19208 1 1252 . 1 1 277 277 THR CB C 13 71.420 0.20 . 1 . . . . 277 THR CB . 19208 1 1253 . 1 1 277 277 THR N N 15 116.568 0.05 . 1 . . . . 277 THR N . 19208 1 1254 . 1 1 278 278 THR H H 1 7.248 0.01 . 1 . . . . 278 THR H . 19208 1 1255 . 1 1 278 278 THR C C 13 172.081 0.20 . 1 . . . . 278 THR C . 19208 1 1256 . 1 1 278 278 THR CA C 13 63.214 0.20 . 1 . . . . 278 THR CA . 19208 1 1257 . 1 1 278 278 THR CB C 13 70.384 0.20 . 1 . . . . 278 THR CB . 19208 1 1258 . 1 1 278 278 THR N N 15 115.772 0.05 . 1 . . . . 278 THR N . 19208 1 1259 . 1 1 279 279 MET H H 1 7.906 0.01 . 1 . . . . 279 MET H . 19208 1 1260 . 1 1 279 279 MET C C 13 176.064 0.20 . 1 . . . . 279 MET C . 19208 1 1261 . 1 1 279 279 MET CA C 13 55.510 0.20 . 1 . . . . 279 MET CA . 19208 1 1262 . 1 1 279 279 MET CB C 13 33.772 0.20 . 1 . . . . 279 MET CB . 19208 1 1263 . 1 1 279 279 MET N N 15 121.517 0.05 . 1 . . . . 279 MET N . 19208 1 1264 . 1 1 280 280 ARG H H 1 8.732 0.01 . 1 . . . . 280 ARG H . 19208 1 1265 . 1 1 280 280 ARG C C 13 173.581 0.20 . 1 . . . . 280 ARG C . 19208 1 1266 . 1 1 280 280 ARG CA C 13 56.315 0.20 . 1 . . . . 280 ARG CA . 19208 1 1267 . 1 1 280 280 ARG CB C 13 33.944 0.20 . 1 . . . . 280 ARG CB . 19208 1 1268 . 1 1 280 280 ARG N N 15 129.467 0.05 . 1 . . . . 280 ARG N . 19208 1 1269 . 1 1 281 281 ALA H H 1 10.111 0.01 . 1 . . . . 281 ALA H . 19208 1 1270 . 1 1 281 281 ALA C C 13 173.710 0.20 . 1 . . . . 281 ALA C . 19208 1 1271 . 1 1 281 281 ALA CA C 13 49.938 0.20 . 1 . . . . 281 ALA CA . 19208 1 1272 . 1 1 281 281 ALA CB C 13 19.444 0.20 . 1 . . . . 281 ALA CB . 19208 1 1273 . 1 1 281 281 ALA N N 15 138.006 0.05 . 1 . . . . 281 ALA N . 19208 1 1274 . 1 1 282 282 SER H H 1 10.512 0.01 . 1 . . . . 282 SER H . 19208 1 1275 . 1 1 282 282 SER C C 13 173.077 0.20 . 1 . . . . 282 SER C . 19208 1 1276 . 1 1 282 282 SER CA C 13 54.597 0.20 . 1 . . . . 282 SER CA . 19208 1 1277 . 1 1 282 282 SER CB C 13 69.778 0.20 . 1 . . . . 282 SER CB . 19208 1 1278 . 1 1 282 282 SER N N 15 117.830 0.05 . 1 . . . . 282 SER N . 19208 1 1279 . 1 1 283 283 VAL H H 1 8.415 0.01 . 1 . . . . 283 VAL H . 19208 1 1280 . 1 1 283 283 VAL C C 13 175.236 0.20 . 1 . . . . 283 VAL C . 19208 1 1281 . 1 1 283 283 VAL CA C 13 58.002 0.20 . 1 . . . . 283 VAL CA . 19208 1 1282 . 1 1 283 283 VAL CB C 13 34.151 0.20 . 1 . . . . 283 VAL CB . 19208 1 1283 . 1 1 283 283 VAL N N 15 109.332 0.05 . 1 . . . . 283 VAL N . 19208 1 1284 . 1 1 284 284 HIS H H 1 8.258 0.01 . 1 . . . . 284 HIS H . 19208 1 1285 . 1 1 284 284 HIS C C 13 174.973 0.20 . 1 . . . . 284 HIS C . 19208 1 1286 . 1 1 284 284 HIS CA C 13 53.850 0.20 . 1 . . . . 284 HIS CA . 19208 1 1287 . 1 1 284 284 HIS CB C 13 31.293 0.20 . 1 . . . . 284 HIS CB . 19208 1 1288 . 1 1 284 284 HIS N N 15 121.919 0.05 . 1 . . . . 284 HIS N . 19208 1 1289 . 1 1 285 285 ILE H H 1 9.478 0.01 . 1 . . . . 285 ILE H . 19208 1 1290 . 1 1 285 285 ILE C C 13 171.164 0.20 . 1 . . . . 285 ILE C . 19208 1 1291 . 1 1 285 285 ILE CA C 13 58.031 0.20 . 1 . . . . 285 ILE CA . 19208 1 1292 . 1 1 285 285 ILE CB C 13 43.009 0.20 . 1 . . . . 285 ILE CB . 19208 1 1293 . 1 1 285 285 ILE N N 15 125.131 0.05 . 1 . . . . 285 ILE N . 19208 1 1294 . 1 1 286 286 GLN H H 1 8.559 0.01 . 1 . . . . 286 GLN H . 19208 1 1295 . 1 1 286 286 GLN C C 13 174.167 0.20 . 1 . . . . 286 GLN C . 19208 1 1296 . 1 1 286 286 GLN CA C 13 53.864 0.20 . 1 . . . . 286 GLN CA . 19208 1 1297 . 1 1 286 286 GLN CB C 13 30.722 0.20 . 1 . . . . 286 GLN CB . 19208 1 1298 . 1 1 286 286 GLN N N 15 126.392 0.05 . 1 . . . . 286 GLN N . 19208 1 1299 . 1 1 287 287 LEU H H 1 8.230 0.01 . 1 . . . . 287 LEU H . 19208 1 1300 . 1 1 287 287 LEU C C 13 171.892 0.20 . 1 . . . . 287 LEU C . 19208 1 1301 . 1 1 287 287 LEU CA C 13 50.711 0.20 . 1 . . . . 287 LEU CA . 19208 1 1302 . 1 1 287 287 LEU CB C 13 41.912 0.20 . 1 . . . . 287 LEU CB . 19208 1 1303 . 1 1 287 287 LEU N N 15 123.863 0.05 . 1 . . . . 287 LEU N . 19208 1 1304 . 1 1 288 288 PRO C C 13 179.597 0.20 . 1 . . . . 288 PRO C . 19208 1 1305 . 1 1 288 288 PRO CA C 13 65.099 0.20 . 1 . . . . 288 PRO CA . 19208 1 1306 . 1 1 288 288 PRO CB C 13 31.086 0.20 . 1 . . . . 288 PRO CB . 19208 1 1307 . 1 1 289 289 LYS H H 1 11.643 0.01 . 1 . . . . 289 LYS H . 19208 1 1308 . 1 1 289 289 LYS C C 13 180.839 0.20 . 1 . . . . 289 LYS C . 19208 1 1309 . 1 1 289 289 LYS CA C 13 58.804 0.20 . 1 . . . . 289 LYS CA . 19208 1 1310 . 1 1 289 289 LYS CB C 13 30.834 0.20 . 1 . . . . 289 LYS CB . 19208 1 1311 . 1 1 289 289 LYS N N 15 122.544 0.05 . 1 . . . . 289 LYS N . 19208 1 1312 . 1 1 290 290 LEU H H 1 10.213 0.01 . 1 . . . . 290 LEU H . 19208 1 1313 . 1 1 290 290 LEU C C 13 178.885 0.20 . 1 . . . . 290 LEU C . 19208 1 1314 . 1 1 290 290 LEU CA C 13 56.970 0.20 . 1 . . . . 290 LEU CA . 19208 1 1315 . 1 1 290 290 LEU CB C 13 41.326 0.20 . 1 . . . . 290 LEU CB . 19208 1 1316 . 1 1 290 290 LEU N N 15 123.893 0.05 . 1 . . . . 290 LEU N . 19208 1 1317 . 1 1 291 291 ALA H H 1 8.372 0.01 . 1 . . . . 291 ALA H . 19208 1 1318 . 1 1 291 291 ALA C C 13 177.006 0.20 . 1 . . . . 291 ALA C . 19208 1 1319 . 1 1 291 291 ALA CA C 13 50.793 0.20 . 1 . . . . 291 ALA CA . 19208 1 1320 . 1 1 291 291 ALA CB C 13 18.310 0.20 . 1 . . . . 291 ALA CB . 19208 1 1321 . 1 1 291 291 ALA N N 15 115.730 0.05 . 1 . . . . 291 ALA N . 19208 1 1322 . 1 1 292 292 LYS H H 1 7.085 0.01 . 1 . . . . 292 LYS H . 19208 1 1323 . 1 1 292 292 LYS C C 13 176.632 0.20 . 1 . . . . 292 LYS C . 19208 1 1324 . 1 1 292 292 LYS CA C 13 58.880 0.20 . 1 . . . . 292 LYS CA . 19208 1 1325 . 1 1 292 292 LYS CB C 13 31.533 0.20 . 1 . . . . 292 LYS CB . 19208 1 1326 . 1 1 292 292 LYS N N 15 120.448 0.05 . 1 . . . . 292 LYS N . 19208 1 1327 . 1 1 293 293 ASP H H 1 7.692 0.01 . 1 . . . . 293 ASP H . 19208 1 1328 . 1 1 293 293 ASP C C 13 175.778 0.20 . 1 . . . . 293 ASP C . 19208 1 1329 . 1 1 293 293 ASP N N 15 115.269 0.05 . 1 . . . . 293 ASP N . 19208 1 1330 . 1 1 294 294 ARG H H 1 8.658 0.01 . 1 . . . . 294 ARG H . 19208 1 1331 . 1 1 294 294 ARG C C 13 176.944 0.20 . 1 . . . . 294 ARG C . 19208 1 1332 . 1 1 294 294 ARG CA C 13 58.928 0.20 . 1 . . . . 294 ARG CA . 19208 1 1333 . 1 1 294 294 ARG CB C 13 28.902 0.20 . 1 . . . . 294 ARG CB . 19208 1 1334 . 1 1 294 294 ARG N N 15 124.697 0.05 . 1 . . . . 294 ARG N . 19208 1 1335 . 1 1 295 295 LYS H H 1 7.987 0.01 . 1 . . . . 295 LYS H . 19208 1 1336 . 1 1 295 295 LYS C C 13 179.214 0.20 . 1 . . . . 295 LYS C . 19208 1 1337 . 1 1 295 295 LYS CA C 13 58.651 0.20 . 1 . . . . 295 LYS CA . 19208 1 1338 . 1 1 295 295 LYS CB C 13 30.651 0.20 . 1 . . . . 295 LYS CB . 19208 1 1339 . 1 1 295 295 LYS N N 15 117.739 0.05 . 1 . . . . 295 LYS N . 19208 1 1340 . 1 1 296 296 VAL H H 1 7.356 0.01 . 1 . . . . 296 VAL H . 19208 1 1341 . 1 1 296 296 VAL C C 13 178.099 0.20 . 1 . . . . 296 VAL C . 19208 1 1342 . 1 1 296 296 VAL CA C 13 65.277 0.20 . 1 . . . . 296 VAL CA . 19208 1 1343 . 1 1 296 296 VAL CB C 13 30.737 0.20 . 1 . . . . 296 VAL CB . 19208 1 1344 . 1 1 296 296 VAL N N 15 120.342 0.05 . 1 . . . . 296 VAL N . 19208 1 1345 . 1 1 297 297 LEU H H 1 7.281 0.01 . 1 . . . . 297 LEU H . 19208 1 1346 . 1 1 297 297 LEU C C 13 178.277 0.20 . 1 . . . . 297 LEU C . 19208 1 1347 . 1 1 297 297 LEU CA C 13 57.614 0.20 . 1 . . . . 297 LEU CA . 19208 1 1348 . 1 1 297 297 LEU CB C 13 40.375 0.20 . 1 . . . . 297 LEU CB . 19208 1 1349 . 1 1 297 297 LEU N N 15 119.645 0.05 . 1 . . . . 297 LEU N . 19208 1 1350 . 1 1 298 298 GLU H H 1 8.355 0.01 . 1 . . . . 298 GLU H . 19208 1 1351 . 1 1 298 298 GLU C C 13 179.456 0.20 . 1 . . . . 298 GLU C . 19208 1 1352 . 1 1 298 298 GLU CA C 13 59.285 0.20 . 1 . . . . 298 GLU CA . 19208 1 1353 . 1 1 298 298 GLU CB C 13 28.208 0.20 . 1 . . . . 298 GLU CB . 19208 1 1354 . 1 1 298 298 GLU N N 15 116.176 0.05 . 1 . . . . 298 GLU N . 19208 1 1355 . 1 1 299 299 ASP H H 1 8.078 0.01 . 1 . . . . 299 ASP H . 19208 1 1356 . 1 1 299 299 ASP C C 13 179.170 0.20 . 1 . . . . 299 ASP C . 19208 1 1357 . 1 1 299 299 ASP CA C 13 57.016 0.20 . 1 . . . . 299 ASP CA . 19208 1 1358 . 1 1 299 299 ASP CB C 13 39.870 0.20 . 1 . . . . 299 ASP CB . 19208 1 1359 . 1 1 299 299 ASP N N 15 121.777 0.05 . 1 . . . . 299 ASP N . 19208 1 1360 . 1 1 300 300 ILE H H 1 8.156 0.01 . 1 . . . . 300 ILE H . 19208 1 1361 . 1 1 300 300 ILE C C 13 177.659 0.20 . 1 . . . . 300 ILE C . 19208 1 1362 . 1 1 300 300 ILE CA C 13 64.683 0.20 . 1 . . . . 300 ILE CA . 19208 1 1363 . 1 1 300 300 ILE CB C 13 37.401 0.20 . 1 . . . . 300 ILE CB . 19208 1 1364 . 1 1 300 300 ILE N N 15 121.407 0.05 . 1 . . . . 300 ILE N . 19208 1 1365 . 1 1 301 301 ALA H H 1 8.477 0.01 . 1 . . . . 301 ALA H . 19208 1 1366 . 1 1 301 301 ALA C C 13 180.737 0.20 . 1 . . . . 301 ALA C . 19208 1 1367 . 1 1 301 301 ALA CA C 13 55.018 0.20 . 1 . . . . 301 ALA CA . 19208 1 1368 . 1 1 301 301 ALA CB C 13 16.552 0.20 . 1 . . . . 301 ALA CB . 19208 1 1369 . 1 1 301 301 ALA N N 15 119.323 0.05 . 1 . . . . 301 ALA N . 19208 1 1370 . 1 1 302 302 SER H H 1 8.256 0.01 . 1 . . . . 302 SER H . 19208 1 1371 . 1 1 302 302 SER C C 13 177.937 0.20 . 1 . . . . 302 SER C . 19208 1 1372 . 1 1 302 302 SER CA C 13 61.147 0.20 . 1 . . . . 302 SER CA . 19208 1 1373 . 1 1 302 302 SER CB C 13 62.546 0.20 . 1 . . . . 302 SER CB . 19208 1 1374 . 1 1 302 302 SER N N 15 112.874 0.05 . 1 . . . . 302 SER N . 19208 1 1375 . 1 1 303 303 LYS H H 1 7.445 0.01 . 1 . . . . 303 LYS H . 19208 1 1376 . 1 1 303 303 LYS C C 13 177.034 0.20 . 1 . . . . 303 LYS C . 19208 1 1377 . 1 1 303 303 LYS CA C 13 58.023 0.20 . 1 . . . . 303 LYS CA . 19208 1 1378 . 1 1 303 303 LYS CB C 13 30.246 0.20 . 1 . . . . 303 LYS CB . 19208 1 1379 . 1 1 303 303 LYS N N 15 123.405 0.05 . 1 . . . . 303 LYS N . 19208 1 1380 . 1 1 304 304 PHE H H 1 7.146 0.01 . 1 . . . . 304 PHE H . 19208 1 1381 . 1 1 304 304 PHE C C 13 174.600 0.20 . 1 . . . . 304 PHE C . 19208 1 1382 . 1 1 304 304 PHE CA C 13 56.032 0.20 . 1 . . . . 304 PHE CA . 19208 1 1383 . 1 1 304 304 PHE CB C 13 38.780 0.20 . 1 . . . . 304 PHE CB . 19208 1 1384 . 1 1 304 304 PHE N N 15 116.061 0.05 . 1 . . . . 304 PHE N . 19208 1 1385 . 1 1 305 305 ASN H H 1 7.832 0.01 . 1 . . . . 305 ASN H . 19208 1 1386 . 1 1 305 305 ASN C C 13 174.095 0.20 . 1 . . . . 305 ASN C . 19208 1 1387 . 1 1 305 305 ASN CA C 13 54.055 0.20 . 1 . . . . 305 ASN CA . 19208 1 1388 . 1 1 305 305 ASN CB C 13 36.084 0.20 . 1 . . . . 305 ASN CB . 19208 1 1389 . 1 1 305 305 ASN N N 15 112.707 0.05 . 1 . . . . 305 ASN N . 19208 1 1390 . 1 1 306 306 LEU H H 1 8.135 0.01 . 1 . . . . 306 LEU H . 19208 1 1391 . 1 1 306 306 LEU C C 13 175.400 0.20 . 1 . . . . 306 LEU C . 19208 1 1392 . 1 1 306 306 LEU CA C 13 52.438 0.20 . 1 . . . . 306 LEU CA . 19208 1 1393 . 1 1 306 306 LEU CB C 13 41.376 0.20 . 1 . . . . 306 LEU CB . 19208 1 1394 . 1 1 306 306 LEU N N 15 116.523 0.05 . 1 . . . . 306 LEU N . 19208 1 1395 . 1 1 307 307 GLN H H 1 9.038 0.01 . 1 . . . . 307 GLN H . 19208 1 1396 . 1 1 307 307 GLN C C 13 174.569 0.20 . 1 . . . . 307 GLN C . 19208 1 1397 . 1 1 307 307 GLN CA C 13 53.195 0.20 . 1 . . . . 307 GLN CA . 19208 1 1398 . 1 1 307 307 GLN CB C 13 32.733 0.20 . 1 . . . . 307 GLN CB . 19208 1 1399 . 1 1 307 307 GLN N N 15 120.441 0.05 . 1 . . . . 307 GLN N . 19208 1 1400 . 1 1 308 308 VAL H H 1 9.329 0.01 . 1 . . . . 308 VAL H . 19208 1 1401 . 1 1 308 308 VAL C C 13 174.476 0.20 . 1 . . . . 308 VAL C . 19208 1 1402 . 1 1 308 308 VAL CA C 13 61.177 0.20 . 1 . . . . 308 VAL CA . 19208 1 1403 . 1 1 308 308 VAL CB C 13 31.795 0.20 . 1 . . . . 308 VAL CB . 19208 1 1404 . 1 1 308 308 VAL N N 15 129.930 0.05 . 1 . . . . 308 VAL N . 19208 1 1405 . 1 1 309 309 ARG H H 1 10.070 0.01 . 1 . . . . 309 ARG H . 19208 1 1406 . 1 1 309 309 ARG CA C 13 53.568 0.20 . 1 . . . . 309 ARG CA . 19208 1 1407 . 1 1 309 309 ARG CB C 13 33.096 0.20 . 1 . . . . 309 ARG CB . 19208 1 1408 . 1 1 309 309 ARG N N 15 127.167 0.05 . 1 . . . . 309 ARG N . 19208 1 1409 . 1 1 316 316 THR C C 13 174.858 0.20 . 1 . . . . 316 THR C . 19208 1 1410 . 1 1 316 316 THR CA C 13 60.524 0.20 . 1 . . . . 316 THR CA . 19208 1 1411 . 1 1 316 316 THR CB C 13 72.107 0.20 . 1 . . . . 316 THR CB . 19208 1 1412 . 1 1 317 317 GLU H H 1 8.441 0.01 . 1 . . . . 317 GLU H . 19208 1 1413 . 1 1 317 317 GLU C C 13 177.818 0.20 . 1 . . . . 317 GLU C . 19208 1 1414 . 1 1 317 317 GLU CA C 13 54.356 0.20 . 1 . . . . 317 GLU CA . 19208 1 1415 . 1 1 317 317 GLU CB C 13 30.049 0.20 . 1 . . . . 317 GLU CB . 19208 1 1416 . 1 1 317 317 GLU N N 15 118.103 0.05 . 1 . . . . 317 GLU N . 19208 1 1417 . 1 1 318 318 SER H H 1 8.677 0.01 . 1 . . . . 318 SER H . 19208 1 1418 . 1 1 318 318 SER C C 13 174.511 0.20 . 1 . . . . 318 SER C . 19208 1 1419 . 1 1 318 318 SER CA C 13 57.595 0.20 . 1 . . . . 318 SER CA . 19208 1 1420 . 1 1 318 318 SER CB C 13 62.517 0.20 . 1 . . . . 318 SER CB . 19208 1 1421 . 1 1 318 318 SER N N 15 115.475 0.05 . 1 . . . . 318 SER N . 19208 1 1422 . 1 1 319 319 GLU H H 1 8.492 0.01 . 1 . . . . 319 GLU H . 19208 1 1423 . 1 1 319 319 GLU C C 13 177.692 0.20 . 1 . . . . 319 GLU C . 19208 1 1424 . 1 1 319 319 GLU CA C 13 54.318 0.20 . 1 . . . . 319 GLU CA . 19208 1 1425 . 1 1 319 319 GLU N N 15 126.614 0.05 . 1 . . . . 319 GLU N . 19208 1 1426 . 1 1 320 320 GLY C C 13 174.755 0.20 . 1 . . . . 320 GLY C . 19208 1 1427 . 1 1 320 320 GLY CA C 13 45.959 0.20 . 1 . . . . 320 GLY CA . 19208 1 1428 . 1 1 321 321 GLY H H 1 8.050 0.01 . 1 . . . . 321 GLY H . 19208 1 1429 . 1 1 321 321 GLY C C 13 172.976 0.20 . 1 . . . . 321 GLY C . 19208 1 1430 . 1 1 321 321 GLY CA C 13 44.769 0.20 . 1 . . . . 321 GLY CA . 19208 1 1431 . 1 1 321 321 GLY N N 15 105.258 0.05 . 1 . . . . 321 GLY N . 19208 1 1432 . 1 1 322 322 VAL H H 1 6.710 0.01 . 1 . . . . 322 VAL H . 19208 1 1433 . 1 1 322 322 VAL C C 13 175.670 0.20 . 1 . . . . 322 VAL C . 19208 1 1434 . 1 1 322 322 VAL CA C 13 61.875 0.20 . 1 . . . . 322 VAL CA . 19208 1 1435 . 1 1 322 322 VAL CB C 13 30.341 0.20 . 1 . . . . 322 VAL CB . 19208 1 1436 . 1 1 322 322 VAL N N 15 118.010 0.05 . 1 . . . . 322 VAL N . 19208 1 1437 . 1 1 323 323 TYR H H 1 8.613 0.01 . 1 . . . . 323 TYR H . 19208 1 1438 . 1 1 323 323 TYR C C 13 172.942 0.20 . 1 . . . . 323 TYR C . 19208 1 1439 . 1 1 323 323 TYR CA C 13 57.480 0.20 . 1 . . . . 323 TYR CA . 19208 1 1440 . 1 1 323 323 TYR CB C 13 40.981 0.20 . 1 . . . . 323 TYR CB . 19208 1 1441 . 1 1 323 323 TYR N N 15 127.554 0.05 . 1 . . . . 323 TYR N . 19208 1 1442 . 1 1 324 324 ASP H H 1 7.769 0.01 . 1 . . . . 324 ASP H . 19208 1 1443 . 1 1 324 324 ASP C C 13 175.649 0.20 . 1 . . . . 324 ASP C . 19208 1 1444 . 1 1 324 324 ASP CA C 13 50.786 0.20 . 1 . . . . 324 ASP CA . 19208 1 1445 . 1 1 324 324 ASP CB C 13 41.175 0.20 . 1 . . . . 324 ASP CB . 19208 1 1446 . 1 1 324 324 ASP N N 15 121.090 0.05 . 1 . . . . 324 ASP N . 19208 1 1447 . 1 1 325 325 ILE H H 1 8.569 0.01 . 1 . . . . 325 ILE H . 19208 1 1448 . 1 1 325 325 ILE C C 13 174.666 0.20 . 1 . . . . 325 ILE C . 19208 1 1449 . 1 1 325 325 ILE CA C 13 59.880 0.20 . 1 . . . . 325 ILE CA . 19208 1 1450 . 1 1 325 325 ILE CB C 13 38.242 0.20 . 1 . . . . 325 ILE CB . 19208 1 1451 . 1 1 325 325 ILE N N 15 124.981 0.05 . 1 . . . . 325 ILE N . 19208 1 1452 . 1 1 326 326 SER H H 1 8.273 0.01 . 1 . . . . 326 SER H . 19208 1 1453 . 1 1 326 326 SER C C 13 173.997 0.20 . 1 . . . . 326 SER C . 19208 1 1454 . 1 1 326 326 SER CA C 13 55.787 0.20 . 1 . . . . 326 SER CA . 19208 1 1455 . 1 1 326 326 SER CB C 13 68.282 0.20 . 1 . . . . 326 SER CB . 19208 1 1456 . 1 1 326 326 SER N N 15 117.272 0.05 . 1 . . . . 326 SER N . 19208 1 1457 . 1 1 327 327 ASN H H 1 8.818 0.01 . 1 . . . . 327 ASN H . 19208 1 1458 . 1 1 327 327 ASN C C 13 173.497 0.20 . 1 . . . . 327 ASN C . 19208 1 1459 . 1 1 327 327 ASN CA C 13 55.353 0.20 . 1 . . . . 327 ASN CA . 19208 1 1460 . 1 1 327 327 ASN CB C 13 36.013 0.20 . 1 . . . . 327 ASN CB . 19208 1 1461 . 1 1 327 327 ASN N N 15 114.563 0.05 . 1 . . . . 327 ASN N . 19208 1 1462 . 1 1 328 328 LYS H H 1 8.057 0.01 . 1 . . . . 328 LYS H . 19208 1 1463 . 1 1 328 328 LYS C C 13 176.802 0.20 . 1 . . . . 328 LYS C . 19208 1 1464 . 1 1 328 328 LYS CA C 13 57.445 0.20 . 1 . . . . 328 LYS CA . 19208 1 1465 . 1 1 328 328 LYS CB C 13 34.540 0.20 . 1 . . . . 328 LYS CB . 19208 1 1466 . 1 1 328 328 LYS N N 15 123.711 0.05 . 1 . . . . 328 LYS N . 19208 1 1467 . 1 1 329 329 ARG H H 1 8.787 0.01 . 1 . . . . 329 ARG H . 19208 1 1468 . 1 1 329 329 ARG C C 13 176.517 0.20 . 1 . . . . 329 ARG C . 19208 1 1469 . 1 1 329 329 ARG CA C 13 57.015 0.20 . 1 . . . . 329 ARG CA . 19208 1 1470 . 1 1 329 329 ARG CB C 13 30.964 0.20 . 1 . . . . 329 ARG CB . 19208 1 1471 . 1 1 329 329 ARG N N 15 115.454 0.05 . 1 . . . . 329 ARG N . 19208 1 1472 . 1 1 330 330 ARG H H 1 9.201 0.01 . 1 . . . . 330 ARG H . 19208 1 1473 . 1 1 330 330 ARG N N 15 114.383 0.05 . 1 . . . . 330 ARG N . 19208 1 1474 . 1 1 331 331 LEU C C 13 174.874 0.20 . 1 . . . . 331 LEU C . 19208 1 1475 . 1 1 331 331 LEU CA C 13 53.131 0.20 . 1 . . . . 331 LEU CA . 19208 1 1476 . 1 1 331 331 LEU CB C 13 41.919 0.20 . 1 . . . . 331 LEU CB . 19208 1 1477 . 1 1 332 332 GLY H H 1 11.601 0.01 . 1 . . . . 332 GLY H . 19208 1 1478 . 1 1 332 332 GLY C C 13 171.057 0.20 . 1 . . . . 332 GLY C . 19208 1 1479 . 1 1 332 332 GLY CA C 13 44.236 0.20 . 1 . . . . 332 GLY CA . 19208 1 1480 . 1 1 332 332 GLY N N 15 115.741 0.05 . 1 . . . . 332 GLY N . 19208 1 1481 . 1 1 333 333 LEU H H 1 7.528 0.01 . 1 . . . . 333 LEU H . 19208 1 1482 . 1 1 333 333 LEU C C 13 171.957 0.20 . 1 . . . . 333 LEU C . 19208 1 1483 . 1 1 333 333 LEU CA C 13 53.318 0.20 . 1 . . . . 333 LEU CA . 19208 1 1484 . 1 1 333 333 LEU CB C 13 41.223 0.20 . 1 . . . . 333 LEU CB . 19208 1 1485 . 1 1 333 333 LEU N N 15 122.491 0.05 . 1 . . . . 333 LEU N . 19208 1 1486 . 1 1 334 334 THR H H 1 8.388 0.01 . 1 . . . . 334 THR H . 19208 1 1487 . 1 1 334 334 THR C C 13 175.133 0.20 . 1 . . . . 334 THR C . 19208 1 1488 . 1 1 334 334 THR CA C 13 60.258 0.20 . 1 . . . . 334 THR CA . 19208 1 1489 . 1 1 334 334 THR CB C 13 71.934 0.20 . 1 . . . . 334 THR CB . 19208 1 1490 . 1 1 334 334 THR N N 15 107.867 0.05 . 1 . . . . 334 THR N . 19208 1 1491 . 1 1 335 335 GLU H H 1 10.001 0.01 . 1 . . . . 335 GLU H . 19208 1 1492 . 1 1 335 335 GLU C C 13 177.501 0.20 . 1 . . . . 335 GLU C . 19208 1 1493 . 1 1 335 335 GLU CA C 13 62.706 0.20 . 1 . . . . 335 GLU CA . 19208 1 1494 . 1 1 335 335 GLU CB C 13 27.096 0.20 . 1 . . . . 335 GLU CB . 19208 1 1495 . 1 1 335 335 GLU N N 15 123.530 0.05 . 1 . . . . 335 GLU N . 19208 1 1496 . 1 1 336 336 TYR H H 1 7.747 0.01 . 1 . . . . 336 TYR H . 19208 1 1497 . 1 1 336 336 TYR C C 13 176.737 0.20 . 1 . . . . 336 TYR C . 19208 1 1498 . 1 1 336 336 TYR CA C 13 60.785 0.20 . 1 . . . . 336 TYR CA . 19208 1 1499 . 1 1 336 336 TYR CB C 13 37.282 0.20 . 1 . . . . 336 TYR CB . 19208 1 1500 . 1 1 336 336 TYR N N 15 115.013 0.05 . 1 . . . . 336 TYR N . 19208 1 1501 . 1 1 337 337 GLN H H 1 7.849 0.01 . 1 . . . . 337 GLN H . 19208 1 1502 . 1 1 337 337 GLN C C 13 178.988 0.20 . 1 . . . . 337 GLN C . 19208 1 1503 . 1 1 337 337 GLN CA C 13 58.470 0.20 . 1 . . . . 337 GLN CA . 19208 1 1504 . 1 1 337 337 GLN CB C 13 27.861 0.20 . 1 . . . . 337 GLN CB . 19208 1 1505 . 1 1 337 337 GLN N N 15 116.030 0.05 . 1 . . . . 337 GLN N . 19208 1 1506 . 1 1 338 338 ALA H H 1 8.774 0.01 . 1 . . . . 338 ALA H . 19208 1 1507 . 1 1 338 338 ALA C C 13 178.545 0.20 . 1 . . . . 338 ALA C . 19208 1 1508 . 1 1 338 338 ALA CA C 13 55.375 0.20 . 1 . . . . 338 ALA CA . 19208 1 1509 . 1 1 338 338 ALA CB C 13 16.504 0.20 . 1 . . . . 338 ALA CB . 19208 1 1510 . 1 1 338 338 ALA N N 15 123.468 0.05 . 1 . . . . 338 ALA N . 19208 1 1511 . 1 1 339 339 VAL H H 1 8.103 0.01 . 1 . . . . 339 VAL H . 19208 1 1512 . 1 1 339 339 VAL C C 13 177.769 0.20 . 1 . . . . 339 VAL C . 19208 1 1513 . 1 1 339 339 VAL CA C 13 64.735 0.20 . 1 . . . . 339 VAL CA . 19208 1 1514 . 1 1 339 339 VAL CB C 13 30.022 0.20 . 1 . . . . 339 VAL CB . 19208 1 1515 . 1 1 339 339 VAL N N 15 116.937 0.05 . 1 . . . . 339 VAL N . 19208 1 1516 . 1 1 340 340 ARG H H 1 8.144 0.01 . 1 . . . . 340 ARG H . 19208 1 1517 . 1 1 340 340 ARG C C 13 177.660 0.20 . 1 . . . . 340 ARG C . 19208 1 1518 . 1 1 340 340 ARG CA C 13 55.825 0.20 . 1 . . . . 340 ARG CA . 19208 1 1519 . 1 1 340 340 ARG CB C 13 26.875 0.20 . 1 . . . . 340 ARG CB . 19208 1 1520 . 1 1 340 340 ARG N N 15 121.376 0.05 . 1 . . . . 340 ARG N . 19208 1 1521 . 1 1 341 341 GLU H H 1 7.979 0.01 . 1 . . . . 341 GLU H . 19208 1 1522 . 1 1 341 341 GLU C C 13 180.382 0.20 . 1 . . . . 341 GLU C . 19208 1 1523 . 1 1 341 341 GLU CA C 13 60.305 0.20 . 1 . . . . 341 GLU CA . 19208 1 1524 . 1 1 341 341 GLU CB C 13 28.212 0.20 . 1 . . . . 341 GLU CB . 19208 1 1525 . 1 1 341 341 GLU N N 15 120.063 0.05 . 1 . . . . 341 GLU N . 19208 1 1526 . 1 1 342 342 MET H H 1 7.192 0.01 . 1 . . . . 342 MET H . 19208 1 1527 . 1 1 342 342 MET C C 13 175.767 0.20 . 1 . . . . 342 MET C . 19208 1 1528 . 1 1 342 342 MET CA C 13 59.960 0.20 . 1 . . . . 342 MET CA . 19208 1 1529 . 1 1 342 342 MET CB C 13 31.035 0.20 . 1 . . . . 342 MET CB . 19208 1 1530 . 1 1 342 342 MET N N 15 118.170 0.05 . 1 . . . . 342 MET N . 19208 1 1531 . 1 1 343 343 GLN H H 1 8.596 0.01 . 1 . . . . 343 GLN H . 19208 1 1532 . 1 1 343 343 GLN C C 13 176.788 0.20 . 1 . . . . 343 GLN C . 19208 1 1533 . 1 1 343 343 GLN CA C 13 58.865 0.20 . 1 . . . . 343 GLN CA . 19208 1 1534 . 1 1 343 343 GLN CB C 13 29.322 0.20 . 1 . . . . 343 GLN CB . 19208 1 1535 . 1 1 343 343 GLN N N 15 120.119 0.05 . 1 . . . . 343 GLN N . 19208 1 1536 . 1 1 344 344 ASP H H 1 9.131 0.01 . 1 . . . . 344 ASP H . 19208 1 1537 . 1 1 344 344 ASP C C 13 179.759 0.20 . 1 . . . . 344 ASP C . 19208 1 1538 . 1 1 344 344 ASP CA C 13 56.586 0.20 . 1 . . . . 344 ASP CA . 19208 1 1539 . 1 1 344 344 ASP CB C 13 38.757 0.20 . 1 . . . . 344 ASP CB . 19208 1 1540 . 1 1 344 344 ASP N N 15 117.128 0.05 . 1 . . . . 344 ASP N . 19208 1 1541 . 1 1 345 345 GLY H H 1 7.599 0.01 . 1 . . . . 345 GLY H . 19208 1 1542 . 1 1 345 345 GLY C C 13 174.417 0.20 . 1 . . . . 345 GLY C . 19208 1 1543 . 1 1 345 345 GLY CA C 13 46.694 0.20 . 1 . . . . 345 GLY CA . 19208 1 1544 . 1 1 345 345 GLY N N 15 106.551 0.05 . 1 . . . . 345 GLY N . 19208 1 1545 . 1 1 346 346 ILE H H 1 8.559 0.01 . 1 . . . . 346 ILE H . 19208 1 1546 . 1 1 346 346 ILE C C 13 178.345 0.20 . 1 . . . . 346 ILE C . 19208 1 1547 . 1 1 346 346 ILE CA C 13 61.255 0.20 . 1 . . . . 346 ILE CA . 19208 1 1548 . 1 1 346 346 ILE CB C 13 33.534 0.20 . 1 . . . . 346 ILE CB . 19208 1 1549 . 1 1 346 346 ILE N N 15 122.172 0.05 . 1 . . . . 346 ILE N . 19208 1 1550 . 1 1 347 347 LEU H H 1 8.362 0.01 . 1 . . . . 347 LEU H . 19208 1 1551 . 1 1 347 347 LEU C C 13 181.008 0.20 . 1 . . . . 347 LEU C . 19208 1 1552 . 1 1 347 347 LEU CA C 13 57.943 0.20 . 1 . . . . 347 LEU CA . 19208 1 1553 . 1 1 347 347 LEU CB C 13 40.282 0.20 . 1 . . . . 347 LEU CB . 19208 1 1554 . 1 1 347 347 LEU N N 15 118.290 0.05 . 1 . . . . 347 LEU N . 19208 1 1555 . 1 1 348 348 GLU H H 1 7.204 0.01 . 1 . . . . 348 GLU H . 19208 1 1556 . 1 1 348 348 GLU C C 13 178.850 0.20 . 1 . . . . 348 GLU C . 19208 1 1557 . 1 1 348 348 GLU CA C 13 58.093 0.20 . 1 . . . . 348 GLU CA . 19208 1 1558 . 1 1 348 348 GLU CB C 13 28.005 0.20 . 1 . . . . 348 GLU CB . 19208 1 1559 . 1 1 348 348 GLU N N 15 118.112 0.05 . 1 . . . . 348 GLU N . 19208 1 1560 . 1 1 349 349 MET H H 1 8.079 0.01 . 1 . . . . 349 MET H . 19208 1 1561 . 1 1 349 349 MET C C 13 177.812 0.20 . 1 . . . . 349 MET C . 19208 1 1562 . 1 1 349 349 MET CA C 13 59.965 0.20 . 1 . . . . 349 MET CA . 19208 1 1563 . 1 1 349 349 MET CB C 13 31.812 0.20 . 1 . . . . 349 MET CB . 19208 1 1564 . 1 1 349 349 MET N N 15 119.952 0.05 . 1 . . . . 349 MET N . 19208 1 1565 . 1 1 350 350 ILE H H 1 8.187 0.01 . 1 . . . . 350 ILE H . 19208 1 1566 . 1 1 350 350 ILE C C 13 177.342 0.20 . 1 . . . . 350 ILE C . 19208 1 1567 . 1 1 350 350 ILE CA C 13 65.667 0.20 . 1 . . . . 350 ILE CA . 19208 1 1568 . 1 1 350 350 ILE CB C 13 36.937 0.20 . 1 . . . . 350 ILE CB . 19208 1 1569 . 1 1 350 350 ILE N N 15 118.770 0.05 . 1 . . . . 350 ILE N . 19208 1 1570 . 1 1 351 351 LYS H H 1 7.325 0.01 . 1 . . . . 351 LYS H . 19208 1 1571 . 1 1 351 351 LYS C C 13 180.079 0.20 . 1 . . . . 351 LYS C . 19208 1 1572 . 1 1 351 351 LYS CA C 13 59.868 0.20 . 1 . . . . 351 LYS CA . 19208 1 1573 . 1 1 351 351 LYS CB C 13 31.151 0.20 . 1 . . . . 351 LYS CB . 19208 1 1574 . 1 1 351 351 LYS N N 15 119.300 0.05 . 1 . . . . 351 LYS N . 19208 1 1575 . 1 1 352 352 MET H H 1 8.048 0.01 . 1 . . . . 352 MET H . 19208 1 1576 . 1 1 352 352 MET C C 13 178.465 0.20 . 1 . . . . 352 MET C . 19208 1 1577 . 1 1 352 352 MET CA C 13 58.662 0.20 . 1 . . . . 352 MET CA . 19208 1 1578 . 1 1 352 352 MET CB C 13 32.881 0.20 . 1 . . . . 352 MET CB . 19208 1 1579 . 1 1 352 352 MET N N 15 118.651 0.05 . 1 . . . . 352 MET N . 19208 1 1580 . 1 1 353 353 GLU H H 1 8.254 0.01 . 1 . . . . 353 GLU H . 19208 1 1581 . 1 1 353 353 GLU C C 13 178.971 0.20 . 1 . . . . 353 GLU C . 19208 1 1582 . 1 1 353 353 GLU CA C 13 58.345 0.20 . 1 . . . . 353 GLU CA . 19208 1 1583 . 1 1 353 353 GLU CB C 13 28.267 0.20 . 1 . . . . 353 GLU CB . 19208 1 1584 . 1 1 353 353 GLU N N 15 123.868 0.05 . 1 . . . . 353 GLU N . 19208 1 1585 . 1 1 354 354 LYS H H 1 8.012 0.01 . 1 . . . . 354 LYS H . 19208 1 1586 . 1 1 354 354 LYS C C 13 178.148 0.20 . 1 . . . . 354 LYS C . 19208 1 1587 . 1 1 354 354 LYS CA C 13 58.850 0.20 . 1 . . . . 354 LYS CA . 19208 1 1588 . 1 1 354 354 LYS CB C 13 31.789 0.20 . 1 . . . . 354 LYS CB . 19208 1 1589 . 1 1 354 354 LYS N N 15 116.616 0.05 . 1 . . . . 354 LYS N . 19208 1 1590 . 1 1 355 355 ALA H H 1 7.323 0.01 . 1 . . . . 355 ALA H . 19208 1 1591 . 1 1 355 355 ALA C C 13 177.242 0.20 . 1 . . . . 355 ALA C . 19208 1 1592 . 1 1 355 355 ALA CA C 13 51.863 0.20 . 1 . . . . 355 ALA CA . 19208 1 1593 . 1 1 355 355 ALA CB C 13 18.444 0.20 . 1 . . . . 355 ALA CB . 19208 1 1594 . 1 1 355 355 ALA N N 15 118.806 0.05 . 1 . . . . 355 ALA N . 19208 1 1595 . 1 1 356 356 ALA H H 1 7.236 0.01 . 1 . . . . 356 ALA H . 19208 1 1596 . 1 1 356 356 ALA C C 13 176.404 0.20 . 1 . . . . 356 ALA C . 19208 1 1597 . 1 1 356 356 ALA CA C 13 52.048 0.20 . 1 . . . . 356 ALA CA . 19208 1 1598 . 1 1 356 356 ALA CB C 13 17.956 0.20 . 1 . . . . 356 ALA CB . 19208 1 1599 . 1 1 356 356 ALA N N 15 122.750 0.05 . 1 . . . . 356 ALA N . 19208 1 1600 . 1 1 357 357 ALA H H 1 7.810 0.01 . 1 . . . . 357 ALA H . 19208 1 1601 . 1 1 357 357 ALA C C 13 182.829 0.20 . 1 . . . . 357 ALA C . 19208 1 1602 . 1 1 357 357 ALA CA C 13 53.619 0.20 . 1 . . . . 357 ALA CA . 19208 1 1603 . 1 1 357 357 ALA CB C 13 18.811 0.20 . 1 . . . . 357 ALA CB . 19208 1 1604 . 1 1 357 357 ALA N N 15 128.759 0.05 . 1 . . . . 357 ALA N . 19208 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19208 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'The residues in this chemical shift are in resonance with the corresponding atoms in "save assigned chem shiftlist 1"' _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' . . . 19208 2 2 '3D HNCACB' . . . 19208 2 3 '3D HN(CO)CACB' . . . 19208 2 4 '3D HN(CO)CA' . . . 19208 2 5 '3D HN(CA)CO' . . . 19208 2 6 '3D HNCO' . . . 19208 2 7 '3D 1H-15N NOESY' . . . 19208 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 41 41 ASN H H 1 7.994 . . 1 . . . . 41 ASN H . 19208 2 2 . 1 1 41 41 ASN N N 15 114.462 . . 1 . . . . 41 ASN N . 19208 2 3 . 1 1 42 42 LYS H H 1 7.493 . . 1 . . . . 42 LYS H . 19208 2 4 . 1 1 42 42 LYS N N 15 119.127 . . 1 . . . . 42 LYS N . 19208 2 5 . 1 1 43 43 LYS H H 1 7.734 . . 1 . . . . 43 LYS H . 19208 2 6 . 1 1 43 43 LYS N N 15 116.511 . . 1 . . . . 43 LYS N . 19208 2 7 . 1 1 44 44 THR H H 1 8.924 . . 1 . . . . 44 THR H . 19208 2 8 . 1 1 44 44 THR N N 15 114.397 . . 1 . . . . 44 THR N . 19208 2 stop_ save_