data_16059 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16059 _Entry.Title ; Paramecium bursaria Chlorella virus 1 (PBCV1) DNA ligase (holo form) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-13 _Entry.Accession_date 2008-12-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Lys 27 (..ATPKIDG...) is adenylated' _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 Andrea Piserchio . . . 16059 2 Pravin Nair . A. . 16059 3 Stewart Shuman . . . 16059 4 Ranajeet Ghose . . . 16059 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16059 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 733 16059 '15N chemical shifts' 248 16059 '1H chemical shifts' 248 16059 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-08-20 2008-12-13 update BMRB 'added PubMed ID' 16059 2 . . 2009-06-05 2008-12-13 update BMRB 'completed entry citation' 16059 1 . . 2009-01-15 2008-12-13 original author 'original release' 16059 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16059 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636951 _Citation.Full_citation . _Citation.Title 'Sequence-specific 1H N, 13C, and 15N backbone resonance assignments of the 34 kDa Paramecium bursaria Chlorella virus 1 (PBCV1) DNA ligase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 77 _Citation.Page_last 80 _Citation.Year 2009 _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 Andrea Piserchio . . . 16059 1 2 Pravin Nair . A. . 16059 1 3 Stewart Shuman . . . 16059 1 4 Ranajeet Ghose . . . 16059 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16059 _Assembly.ID 1 _Assembly.Name 'Chv DNA Ligase Monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 34.2 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Chv DNA Ligase' 1 $Chv_DNA_Ligase A . yes native no no . . . 16059 1 2 'adenosine monophosphate' 2 $AMP B . no native no no . . . 16059 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 LYS 48 48 NZ . 2 . 2 AMP 1 1 P 1 . 27 LYS NZ 2 . 1 AMP P 16059 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 1FVI . . X-ray . . . 16059 1 yes PDB 1P8L . . X-ray . . . 16059 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Chv_DNA_Ligase _Entity.Sf_category entity _Entity.Sf_framecode Chv_DNA_Ligase _Entity.Entry_ID 16059 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Chv_DNA_Ligase _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 ; MGHHHHHHHHHHSSGHIEGR HMAITKPLLAATLENIEDVQ FPCLATPKIDGIRSVKQTQM LSRTFKPIRNSVMNRLLTEL LPEGSDGEISIEGATFQDTT SAVMTGHKMYNAKFSYYWFD YVTDDPLKKYIDRVEDMKNY ITVHPHILEHAQVKIIPLIP VEINNITELLQYERDVLSKG FEGVMIRKPDGKYKFGRSTL KEGILLKMKQFKDAEATIIS MTALFKNTNTKTKDNFGYSK RSTHKSGKVEEDVMGSIEVD YDGVVFSIGTGFDADQRRDF WQNKESYIGKMVKFKYFEMG SKDCPRFPVFIGIRHEEDR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-21 are a cloning artifact. Numbering starts from position 22 (M1, A2, I3, T4 ..) ; _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 319 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1FVI . "Crystal Structure Of Chlorella Virus Dna Ligase-Adenylate" . . . . . 93.10 297 99.66 99.66 0.00e+00 . . . . 16059 1 2 no PDB 1P8L . "New Crystal Structure Of Chlorella Virus Dna Ligase-Adenylate" . . . . . 97.81 304 97.44 97.44 0.00e+00 . . . . 16059 1 3 no PDB 2Q2T . "Structure Of Chlorella Virus Dna Ligase-Adenylate Bound To A 5' Phosphorylated Nick" . . . . . 100.00 319 100.00 100.00 0.00e+00 . . . . 16059 1 4 no PDB 2Q2U . "Structure Of Chlorella Virus Dna Ligase-Product Dna Complex" . . . . . 100.00 319 100.00 100.00 0.00e+00 . . . . 16059 1 5 no GB AAC96909 . "ATP-dependent DNA ligase [Paramecium bursaria Chlorella virus 1]" . . . . . 93.42 298 100.00 100.00 0.00e+00 . . . . 16059 1 6 no GB AGE48553 . "DNA ligase [Paramecium bursaria Chlorella virus AN69C]" . . . . . 93.42 298 99.33 100.00 0.00e+00 . . . . 16059 1 7 no GB AGE51623 . "DNA ligase [Paramecium bursaria Chlorella virus CviKI]" . . . . . 93.10 298 96.97 98.99 0.00e+00 . . . . 16059 1 8 no GB AGE52640 . "DNA ligase [Paramecium bursaria Chlorella virus CvsA1]" . . . . . 93.10 298 96.97 98.99 0.00e+00 . . . . 16059 1 9 no GB AGE53996 . "DNA ligase [Paramecium bursaria Chlorella virus IL-3A]" . . . . . 93.42 298 99.33 100.00 0.00e+00 . . . . 16059 1 10 no REF NP_048900 . "ATP-dependent DNA ligase [Paramecium bursaria Chlorella virus 1]" . . . . . 93.42 298 100.00 100.00 0.00e+00 . . . . 16059 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA Ligase' 16059 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 -20 MET . 16059 1 2 -19 GLY . 16059 1 3 -18 HIS . 16059 1 4 -17 HIS . 16059 1 5 -16 HIS . 16059 1 6 -15 HIS . 16059 1 7 -14 HIS . 16059 1 8 -13 HIS . 16059 1 9 -12 HIS . 16059 1 10 -11 HIS . 16059 1 11 -10 HIS . 16059 1 12 -9 HIS . 16059 1 13 -8 SER . 16059 1 14 -7 SER . 16059 1 15 -6 GLY . 16059 1 16 -5 HIS . 16059 1 17 -4 ILE . 16059 1 18 -3 GLU . 16059 1 19 -2 GLY . 16059 1 20 -1 ARG . 16059 1 21 0 HIS . 16059 1 22 1 MET . 16059 1 23 2 ALA . 16059 1 24 3 ILE . 16059 1 25 4 THR . 16059 1 26 5 LYS . 16059 1 27 6 PRO . 16059 1 28 7 LEU . 16059 1 29 8 LEU . 16059 1 30 9 ALA . 16059 1 31 10 ALA . 16059 1 32 11 THR . 16059 1 33 12 LEU . 16059 1 34 13 GLU . 16059 1 35 14 ASN . 16059 1 36 15 ILE . 16059 1 37 16 GLU . 16059 1 38 17 ASP . 16059 1 39 18 VAL . 16059 1 40 19 GLN . 16059 1 41 20 PHE . 16059 1 42 21 PRO . 16059 1 43 22 CYS . 16059 1 44 23 LEU . 16059 1 45 24 ALA . 16059 1 46 25 THR . 16059 1 47 26 PRO . 16059 1 48 27 LYS . 16059 1 49 28 ILE . 16059 1 50 29 ASP . 16059 1 51 30 GLY . 16059 1 52 31 ILE . 16059 1 53 32 ARG . 16059 1 54 33 SER . 16059 1 55 34 VAL . 16059 1 56 35 LYS . 16059 1 57 36 GLN . 16059 1 58 37 THR . 16059 1 59 38 GLN . 16059 1 60 39 MET . 16059 1 61 40 LEU . 16059 1 62 41 SER . 16059 1 63 42 ARG . 16059 1 64 43 THR . 16059 1 65 44 PHE . 16059 1 66 45 LYS . 16059 1 67 46 PRO . 16059 1 68 47 ILE . 16059 1 69 48 ARG . 16059 1 70 49 ASN . 16059 1 71 50 SER . 16059 1 72 51 VAL . 16059 1 73 52 MET . 16059 1 74 53 ASN . 16059 1 75 54 ARG . 16059 1 76 55 LEU . 16059 1 77 56 LEU . 16059 1 78 57 THR . 16059 1 79 58 GLU . 16059 1 80 59 LEU . 16059 1 81 60 LEU . 16059 1 82 61 PRO . 16059 1 83 62 GLU . 16059 1 84 63 GLY . 16059 1 85 64 SER . 16059 1 86 65 ASP . 16059 1 87 66 GLY . 16059 1 88 67 GLU . 16059 1 89 68 ILE . 16059 1 90 69 SER . 16059 1 91 70 ILE . 16059 1 92 71 GLU . 16059 1 93 72 GLY . 16059 1 94 73 ALA . 16059 1 95 74 THR . 16059 1 96 75 PHE . 16059 1 97 76 GLN . 16059 1 98 77 ASP . 16059 1 99 78 THR . 16059 1 100 79 THR . 16059 1 101 80 SER . 16059 1 102 81 ALA . 16059 1 103 82 VAL . 16059 1 104 83 MET . 16059 1 105 84 THR . 16059 1 106 85 GLY . 16059 1 107 86 HIS . 16059 1 108 87 LYS . 16059 1 109 88 MET . 16059 1 110 89 TYR . 16059 1 111 90 ASN . 16059 1 112 91 ALA . 16059 1 113 92 LYS . 16059 1 114 93 PHE . 16059 1 115 94 SER . 16059 1 116 95 TYR . 16059 1 117 96 TYR . 16059 1 118 97 TRP . 16059 1 119 98 PHE . 16059 1 120 99 ASP . 16059 1 121 100 TYR . 16059 1 122 101 VAL . 16059 1 123 102 THR . 16059 1 124 103 ASP . 16059 1 125 104 ASP . 16059 1 126 105 PRO . 16059 1 127 106 LEU . 16059 1 128 107 LYS . 16059 1 129 108 LYS . 16059 1 130 109 TYR . 16059 1 131 110 ILE . 16059 1 132 111 ASP . 16059 1 133 112 ARG . 16059 1 134 113 VAL . 16059 1 135 114 GLU . 16059 1 136 115 ASP . 16059 1 137 116 MET . 16059 1 138 117 LYS . 16059 1 139 118 ASN . 16059 1 140 119 TYR . 16059 1 141 120 ILE . 16059 1 142 121 THR . 16059 1 143 122 VAL . 16059 1 144 123 HIS . 16059 1 145 124 PRO . 16059 1 146 125 HIS . 16059 1 147 126 ILE . 16059 1 148 127 LEU . 16059 1 149 128 GLU . 16059 1 150 129 HIS . 16059 1 151 130 ALA . 16059 1 152 131 GLN . 16059 1 153 132 VAL . 16059 1 154 133 LYS . 16059 1 155 134 ILE . 16059 1 156 135 ILE . 16059 1 157 136 PRO . 16059 1 158 137 LEU . 16059 1 159 138 ILE . 16059 1 160 139 PRO . 16059 1 161 140 VAL . 16059 1 162 141 GLU . 16059 1 163 142 ILE . 16059 1 164 143 ASN . 16059 1 165 144 ASN . 16059 1 166 145 ILE . 16059 1 167 146 THR . 16059 1 168 147 GLU . 16059 1 169 148 LEU . 16059 1 170 149 LEU . 16059 1 171 150 GLN . 16059 1 172 151 TYR . 16059 1 173 152 GLU . 16059 1 174 153 ARG . 16059 1 175 154 ASP . 16059 1 176 155 VAL . 16059 1 177 156 LEU . 16059 1 178 157 SER . 16059 1 179 158 LYS . 16059 1 180 159 GLY . 16059 1 181 160 PHE . 16059 1 182 161 GLU . 16059 1 183 162 GLY . 16059 1 184 163 VAL . 16059 1 185 164 MET . 16059 1 186 165 ILE . 16059 1 187 166 ARG . 16059 1 188 167 LYS . 16059 1 189 168 PRO . 16059 1 190 169 ASP . 16059 1 191 170 GLY . 16059 1 192 171 LYS . 16059 1 193 172 TYR . 16059 1 194 173 LYS . 16059 1 195 174 PHE . 16059 1 196 175 GLY . 16059 1 197 176 ARG . 16059 1 198 177 SER . 16059 1 199 178 THR . 16059 1 200 179 LEU . 16059 1 201 180 LYS . 16059 1 202 181 GLU . 16059 1 203 182 GLY . 16059 1 204 183 ILE . 16059 1 205 184 LEU . 16059 1 206 185 LEU . 16059 1 207 186 LYS . 16059 1 208 187 MET . 16059 1 209 188 LYS . 16059 1 210 189 GLN . 16059 1 211 190 PHE . 16059 1 212 191 LYS . 16059 1 213 192 ASP . 16059 1 214 193 ALA . 16059 1 215 194 GLU . 16059 1 216 195 ALA . 16059 1 217 196 THR . 16059 1 218 197 ILE . 16059 1 219 198 ILE . 16059 1 220 199 SER . 16059 1 221 200 MET . 16059 1 222 201 THR . 16059 1 223 202 ALA . 16059 1 224 203 LEU . 16059 1 225 204 PHE . 16059 1 226 205 LYS . 16059 1 227 206 ASN . 16059 1 228 207 THR . 16059 1 229 208 ASN . 16059 1 230 209 THR . 16059 1 231 210 LYS . 16059 1 232 211 THR . 16059 1 233 212 LYS . 16059 1 234 213 ASP . 16059 1 235 214 ASN . 16059 1 236 215 PHE . 16059 1 237 216 GLY . 16059 1 238 217 TYR . 16059 1 239 218 SER . 16059 1 240 219 LYS . 16059 1 241 220 ARG . 16059 1 242 221 SER . 16059 1 243 222 THR . 16059 1 244 223 HIS . 16059 1 245 224 LYS . 16059 1 246 225 SER . 16059 1 247 226 GLY . 16059 1 248 227 LYS . 16059 1 249 228 VAL . 16059 1 250 229 GLU . 16059 1 251 230 GLU . 16059 1 252 231 ASP . 16059 1 253 232 VAL . 16059 1 254 233 MET . 16059 1 255 234 GLY . 16059 1 256 235 SER . 16059 1 257 236 ILE . 16059 1 258 237 GLU . 16059 1 259 238 VAL . 16059 1 260 239 ASP . 16059 1 261 240 TYR . 16059 1 262 241 ASP . 16059 1 263 242 GLY . 16059 1 264 243 VAL . 16059 1 265 244 VAL . 16059 1 266 245 PHE . 16059 1 267 246 SER . 16059 1 268 247 ILE . 16059 1 269 248 GLY . 16059 1 270 249 THR . 16059 1 271 250 GLY . 16059 1 272 251 PHE . 16059 1 273 252 ASP . 16059 1 274 253 ALA . 16059 1 275 254 ASP . 16059 1 276 255 GLN . 16059 1 277 256 ARG . 16059 1 278 257 ARG . 16059 1 279 258 ASP . 16059 1 280 259 PHE . 16059 1 281 260 TRP . 16059 1 282 261 GLN . 16059 1 283 262 ASN . 16059 1 284 263 LYS . 16059 1 285 264 GLU . 16059 1 286 265 SER . 16059 1 287 266 TYR . 16059 1 288 267 ILE . 16059 1 289 268 GLY . 16059 1 290 269 LYS . 16059 1 291 270 MET . 16059 1 292 271 VAL . 16059 1 293 272 LYS . 16059 1 294 273 PHE . 16059 1 295 274 LYS . 16059 1 296 275 TYR . 16059 1 297 276 PHE . 16059 1 298 277 GLU . 16059 1 299 278 MET . 16059 1 300 279 GLY . 16059 1 301 280 SER . 16059 1 302 281 LYS . 16059 1 303 282 ASP . 16059 1 304 283 CYS . 16059 1 305 284 PRO . 16059 1 306 285 ARG . 16059 1 307 286 PHE . 16059 1 308 287 PRO . 16059 1 309 288 VAL . 16059 1 310 289 PHE . 16059 1 311 290 ILE . 16059 1 312 291 GLY . 16059 1 313 292 ILE . 16059 1 314 293 ARG . 16059 1 315 294 HIS . 16059 1 316 295 GLU . 16059 1 317 296 GLU . 16059 1 318 297 ASP . 16059 1 319 298 ARG . 16059 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 16059 1 . GLY 2 2 16059 1 . HIS 3 3 16059 1 . HIS 4 4 16059 1 . HIS 5 5 16059 1 . HIS 6 6 16059 1 . HIS 7 7 16059 1 . HIS 8 8 16059 1 . HIS 9 9 16059 1 . HIS 10 10 16059 1 . HIS 11 11 16059 1 . HIS 12 12 16059 1 . SER 13 13 16059 1 . SER 14 14 16059 1 . GLY 15 15 16059 1 . HIS 16 16 16059 1 . ILE 17 17 16059 1 . GLU 18 18 16059 1 . GLY 19 19 16059 1 . ARG 20 20 16059 1 . HIS 21 21 16059 1 . MET 22 22 16059 1 . ALA 23 23 16059 1 . ILE 24 24 16059 1 . THR 25 25 16059 1 . LYS 26 26 16059 1 . PRO 27 27 16059 1 . LEU 28 28 16059 1 . LEU 29 29 16059 1 . ALA 30 30 16059 1 . ALA 31 31 16059 1 . THR 32 32 16059 1 . LEU 33 33 16059 1 . GLU 34 34 16059 1 . ASN 35 35 16059 1 . ILE 36 36 16059 1 . GLU 37 37 16059 1 . ASP 38 38 16059 1 . VAL 39 39 16059 1 . GLN 40 40 16059 1 . PHE 41 41 16059 1 . PRO 42 42 16059 1 . CYS 43 43 16059 1 . LEU 44 44 16059 1 . ALA 45 45 16059 1 . THR 46 46 16059 1 . PRO 47 47 16059 1 . LYS 48 48 16059 1 . ILE 49 49 16059 1 . ASP 50 50 16059 1 . GLY 51 51 16059 1 . ILE 52 52 16059 1 . ARG 53 53 16059 1 . SER 54 54 16059 1 . VAL 55 55 16059 1 . LYS 56 56 16059 1 . GLN 57 57 16059 1 . THR 58 58 16059 1 . GLN 59 59 16059 1 . MET 60 60 16059 1 . LEU 61 61 16059 1 . SER 62 62 16059 1 . ARG 63 63 16059 1 . THR 64 64 16059 1 . PHE 65 65 16059 1 . LYS 66 66 16059 1 . PRO 67 67 16059 1 . ILE 68 68 16059 1 . ARG 69 69 16059 1 . ASN 70 70 16059 1 . SER 71 71 16059 1 . VAL 72 72 16059 1 . MET 73 73 16059 1 . ASN 74 74 16059 1 . ARG 75 75 16059 1 . LEU 76 76 16059 1 . LEU 77 77 16059 1 . THR 78 78 16059 1 . GLU 79 79 16059 1 . LEU 80 80 16059 1 . LEU 81 81 16059 1 . PRO 82 82 16059 1 . GLU 83 83 16059 1 . GLY 84 84 16059 1 . SER 85 85 16059 1 . ASP 86 86 16059 1 . GLY 87 87 16059 1 . GLU 88 88 16059 1 . ILE 89 89 16059 1 . SER 90 90 16059 1 . ILE 91 91 16059 1 . GLU 92 92 16059 1 . GLY 93 93 16059 1 . ALA 94 94 16059 1 . THR 95 95 16059 1 . PHE 96 96 16059 1 . GLN 97 97 16059 1 . ASP 98 98 16059 1 . THR 99 99 16059 1 . THR 100 100 16059 1 . SER 101 101 16059 1 . ALA 102 102 16059 1 . VAL 103 103 16059 1 . MET 104 104 16059 1 . THR 105 105 16059 1 . GLY 106 106 16059 1 . HIS 107 107 16059 1 . LYS 108 108 16059 1 . MET 109 109 16059 1 . TYR 110 110 16059 1 . ASN 111 111 16059 1 . ALA 112 112 16059 1 . LYS 113 113 16059 1 . PHE 114 114 16059 1 . SER 115 115 16059 1 . TYR 116 116 16059 1 . TYR 117 117 16059 1 . TRP 118 118 16059 1 . PHE 119 119 16059 1 . ASP 120 120 16059 1 . TYR 121 121 16059 1 . VAL 122 122 16059 1 . THR 123 123 16059 1 . ASP 124 124 16059 1 . ASP 125 125 16059 1 . PRO 126 126 16059 1 . LEU 127 127 16059 1 . LYS 128 128 16059 1 . LYS 129 129 16059 1 . TYR 130 130 16059 1 . ILE 131 131 16059 1 . ASP 132 132 16059 1 . ARG 133 133 16059 1 . VAL 134 134 16059 1 . GLU 135 135 16059 1 . ASP 136 136 16059 1 . MET 137 137 16059 1 . LYS 138 138 16059 1 . ASN 139 139 16059 1 . TYR 140 140 16059 1 . ILE 141 141 16059 1 . THR 142 142 16059 1 . VAL 143 143 16059 1 . HIS 144 144 16059 1 . PRO 145 145 16059 1 . HIS 146 146 16059 1 . ILE 147 147 16059 1 . LEU 148 148 16059 1 . GLU 149 149 16059 1 . HIS 150 150 16059 1 . ALA 151 151 16059 1 . GLN 152 152 16059 1 . VAL 153 153 16059 1 . LYS 154 154 16059 1 . ILE 155 155 16059 1 . ILE 156 156 16059 1 . PRO 157 157 16059 1 . LEU 158 158 16059 1 . ILE 159 159 16059 1 . PRO 160 160 16059 1 . VAL 161 161 16059 1 . GLU 162 162 16059 1 . ILE 163 163 16059 1 . ASN 164 164 16059 1 . ASN 165 165 16059 1 . ILE 166 166 16059 1 . THR 167 167 16059 1 . GLU 168 168 16059 1 . LEU 169 169 16059 1 . LEU 170 170 16059 1 . GLN 171 171 16059 1 . TYR 172 172 16059 1 . GLU 173 173 16059 1 . ARG 174 174 16059 1 . ASP 175 175 16059 1 . VAL 176 176 16059 1 . LEU 177 177 16059 1 . SER 178 178 16059 1 . LYS 179 179 16059 1 . GLY 180 180 16059 1 . PHE 181 181 16059 1 . GLU 182 182 16059 1 . GLY 183 183 16059 1 . VAL 184 184 16059 1 . MET 185 185 16059 1 . ILE 186 186 16059 1 . ARG 187 187 16059 1 . LYS 188 188 16059 1 . PRO 189 189 16059 1 . ASP 190 190 16059 1 . GLY 191 191 16059 1 . LYS 192 192 16059 1 . TYR 193 193 16059 1 . LYS 194 194 16059 1 . PHE 195 195 16059 1 . GLY 196 196 16059 1 . ARG 197 197 16059 1 . SER 198 198 16059 1 . THR 199 199 16059 1 . LEU 200 200 16059 1 . LYS 201 201 16059 1 . GLU 202 202 16059 1 . GLY 203 203 16059 1 . ILE 204 204 16059 1 . LEU 205 205 16059 1 . LEU 206 206 16059 1 . LYS 207 207 16059 1 . MET 208 208 16059 1 . LYS 209 209 16059 1 . GLN 210 210 16059 1 . PHE 211 211 16059 1 . LYS 212 212 16059 1 . ASP 213 213 16059 1 . ALA 214 214 16059 1 . GLU 215 215 16059 1 . ALA 216 216 16059 1 . THR 217 217 16059 1 . ILE 218 218 16059 1 . ILE 219 219 16059 1 . SER 220 220 16059 1 . MET 221 221 16059 1 . THR 222 222 16059 1 . ALA 223 223 16059 1 . LEU 224 224 16059 1 . PHE 225 225 16059 1 . LYS 226 226 16059 1 . ASN 227 227 16059 1 . THR 228 228 16059 1 . ASN 229 229 16059 1 . THR 230 230 16059 1 . LYS 231 231 16059 1 . THR 232 232 16059 1 . LYS 233 233 16059 1 . ASP 234 234 16059 1 . ASN 235 235 16059 1 . PHE 236 236 16059 1 . GLY 237 237 16059 1 . TYR 238 238 16059 1 . SER 239 239 16059 1 . LYS 240 240 16059 1 . ARG 241 241 16059 1 . SER 242 242 16059 1 . THR 243 243 16059 1 . HIS 244 244 16059 1 . LYS 245 245 16059 1 . SER 246 246 16059 1 . GLY 247 247 16059 1 . LYS 248 248 16059 1 . VAL 249 249 16059 1 . GLU 250 250 16059 1 . GLU 251 251 16059 1 . ASP 252 252 16059 1 . VAL 253 253 16059 1 . MET 254 254 16059 1 . GLY 255 255 16059 1 . SER 256 256 16059 1 . ILE 257 257 16059 1 . GLU 258 258 16059 1 . VAL 259 259 16059 1 . ASP 260 260 16059 1 . TYR 261 261 16059 1 . ASP 262 262 16059 1 . GLY 263 263 16059 1 . VAL 264 264 16059 1 . VAL 265 265 16059 1 . PHE 266 266 16059 1 . SER 267 267 16059 1 . ILE 268 268 16059 1 . GLY 269 269 16059 1 . THR 270 270 16059 1 . GLY 271 271 16059 1 . PHE 272 272 16059 1 . ASP 273 273 16059 1 . ALA 274 274 16059 1 . ASP 275 275 16059 1 . GLN 276 276 16059 1 . ARG 277 277 16059 1 . ARG 278 278 16059 1 . ASP 279 279 16059 1 . PHE 280 280 16059 1 . TRP 281 281 16059 1 . GLN 282 282 16059 1 . ASN 283 283 16059 1 . LYS 284 284 16059 1 . GLU 285 285 16059 1 . SER 286 286 16059 1 . TYR 287 287 16059 1 . ILE 288 288 16059 1 . GLY 289 289 16059 1 . LYS 290 290 16059 1 . MET 291 291 16059 1 . VAL 292 292 16059 1 . LYS 293 293 16059 1 . PHE 294 294 16059 1 . LYS 295 295 16059 1 . TYR 296 296 16059 1 . PHE 297 297 16059 1 . GLU 298 298 16059 1 . MET 299 299 16059 1 . GLY 300 300 16059 1 . SER 301 301 16059 1 . LYS 302 302 16059 1 . ASP 303 303 16059 1 . CYS 304 304 16059 1 . PRO 305 305 16059 1 . ARG 306 306 16059 1 . PHE 307 307 16059 1 . PRO 308 308 16059 1 . VAL 309 309 16059 1 . PHE 310 310 16059 1 . ILE 311 311 16059 1 . GLY 312 312 16059 1 . ILE 313 313 16059 1 . ARG 314 314 16059 1 . HIS 315 315 16059 1 . GLU 316 316 16059 1 . GLU 317 317 16059 1 . ASP 318 318 16059 1 . ARG 319 319 16059 1 stop_ save_ save_AMP _Entity.Sf_category entity _Entity.Sf_framecode AMP _Entity.Entry_ID 16059 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name AMP _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID AMP _Entity.Nonpolymer_comp_label $chem_comp_AMP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . AMP . 16059 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16059 _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 $Chv_DNA_Ligase . 10507 virus . 'Paramecium bursaria Chlorella virus' 'Chlorella virus' . . Viruses . Chlorovirus 'Chlorella virus' . . . . . . . . . . . . . . . . . . . . . 16059 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 16059 _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 $Chv_DNA_Ligase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pet . . . . . . 16059 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AMP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AMP _Chem_comp.Entry_ID 16059 _Chem_comp.ID AMP _Chem_comp.Provenance . _Chem_comp.Name 'ADENOSINE MONOPHOSPHATE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code AMP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-15 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AMP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H14 N5 O7 P' _Chem_comp.Formula_weight 347.221 _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 RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:13:55 2008 ; _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)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 16059 AMP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16059 AMP InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19H,11H2 InChI InChI 1.02b 16059 AMP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 16059 AMP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 16059 AMP O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 16059 AMP UDMBCSSLTHHNCD-WLZLVAIBDR InChIKey InChI 1.02b 16059 AMP 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 dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16059 AMP '5'-adenylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 16059 AMP 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 P . P . . P . . N 0 . . . . no no . . . . 8.043 . 39.686 . 18.813 . -4.788 0.931 -0.154 1 . 16059 AMP O1P . O1P . . O . . N 0 . . . . no no . . . . 7.774 . 40.637 . 19.995 . -5.661 -0.201 0.231 2 . 16059 AMP O2P . O2P . . O . . N 0 . . . . no no . . . . 6.883 . 38.784 . 18.643 . -4.479 1.835 1.141 3 . 16059 AMP O3P . O3P . . O . . N 0 . . . . no no . . . . 9.316 . 38.856 . 19.092 . -5.530 1.826 -1.268 4 . 16059 AMP O5' . O5' . . O . . N 0 . . . . no no . . . . 8.290 . 40.534 . 17.463 . -3.407 0.363 -0.755 5 . 16059 AMP C5' . C5' . . C . . N 0 . . . . no no . . . . 9.275 . 41.545 . 17.412 . -2.857 -0.513 0.231 6 . 16059 AMP C4' . C4' . . C . . R 0 . . . . no no . . . . 9.922 . 41.617 . 16.032 . -1.535 -1.090 -0.279 7 . 16059 AMP O4' . O4' . . O . . N 0 . . . . no no . . . . 10.626 . 40.417 . 15.752 . -0.544 -0.046 -0.401 8 . 16059 AMP C3' . C3' . . C . . S 0 . . . . no no . . . . 8.899 . 41.815 . 14.923 . -0.943 -2.078 0.750 9 . 16059 AMP O3' . O3' . . O . . N 0 . . . . no no . . . . 9.238 . 42.933 . 14.133 . -1.257 -3.425 0.389 10 . 16059 AMP C2' . C2' . . C . . R 0 . . . . no no . . . . 8.933 . 40.529 . 14.114 . 0.582 -1.836 0.670 11 . 16059 AMP O2' . O2' . . O . . N 0 . . . . no no . . . . 8.932 . 40.781 . 12.726 . 1.257 -3.027 0.260 12 . 16059 AMP C1' . C1' . . C . . R 0 . . . . no no . . . . 10.220 . 39.828 . 14.530 . 0.729 -0.728 -0.396 13 . 16059 AMP N9 . N9 . . N . . N 0 . . . . yes no . . . . 10.093 . 38.369 . 14.756 . 1.802 0.198 -0.025 14 . 16059 AMP C8 . C8 . . C . . N 0 . . . . yes no . . . . 9.377 . 37.767 . 15.753 . 1.658 1.363 0.669 15 . 16059 AMP N7 . N7 . . N . . N 0 . . . . yes no . . . . 9.495 . 36.418 . 15.645 . 2.817 1.935 0.823 16 . 16059 AMP C5 . C5 . . C . . N 0 . . . . yes no . . . . 10.287 . 36.160 . 14.586 . 3.776 1.173 0.244 17 . 16059 AMP C6 . C6 . . C . . N 0 . . . . yes no . . . . 10.707 . 34.951 . 14.063 . 5.168 1.286 0.090 18 . 16059 AMP N6 . N6 . . N . . N 0 . . . . no no . . . . 10.337 . 33.806 . 14.627 . 5.853 2.370 0.611 19 . 16059 AMP N1 . N1 . . N . . N 0 . . . . yes no . . . . 11.551 . 34.995 . 12.959 . 5.813 0.324 -0.563 20 . 16059 AMP C2 . C2 . . C . . N 0 . . . . yes no . . . . 11.915 . 36.195 . 12.375 . 5.168 -0.714 -1.063 21 . 16059 AMP N3 . N3 . . N . . N 0 . . . . yes no . . . . 11.488 . 37.403 . 12.902 . 3.864 -0.858 -0.948 22 . 16059 AMP C4 . C4 . . C . . N 0 . . . . yes no . . . . 10.672 . 37.369 . 14.001 . 3.135 0.053 -0.312 23 . 16059 AMP HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 6.504 . 38.591 . 19.493 . -3.909 2.559 0.848 24 . 16059 AMP HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 9.769 . 38.686 . 18.275 . -6.351 2.146 -0.869 25 . 16059 AMP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 8.803 . 42.513 . 17.635 . -3.557 -1.325 0.426 26 . 16059 AMP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 10.055 . 41.310 . 18.151 . -2.679 0.043 1.152 27 . 16059 AMP H4' . H4' . . H . . N 0 . . . . no no . . . . 10.602 . 42.481 . 16.057 . -1.684 -1.585 -1.239 28 . 16059 AMP H3' . H3' . . H . . N 0 . . . . no no . . . . 7.891 . 42.013 . 15.315 . -1.315 -1.855 1.750 29 . 16059 AMP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 9.314 . 43.701 . 14.687 . -0.864 -3.994 1.065 30 . 16059 AMP H2' . H2' . . H . . N 0 . . . . no no . . . . 8.041 . 39.916 . 14.308 . 0.965 -1.492 1.631 31 . 16059 AMP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 8.932 . 41.719 . 12.574 . 1.078 -3.696 0.935 32 . 16059 AMP H1' . H1' . . H . . N 0 . . . . no no . . . . 10.936 . 39.949 . 13.704 . 0.928 -1.166 -1.374 33 . 16059 AMP H8 . H8 . . H . . N 0 . . . . no no . . . . 8.806 . 38.284 . 16.510 . 0.720 1.754 1.036 34 . 16059 AMP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 10.727 . 33.035 . 14.125 . 6.814 2.434 0.501 35 . 16059 AMP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 9.754 . 33.727 . 15.435 . 5.370 3.067 1.082 36 . 16059 AMP H2 . H2 . . H . . N 0 . . . . no no . . . . 12.541 . 36.190 . 11.495 . 5.731 -1.472 -1.587 37 . 16059 AMP 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 P O1P no N 1 . 16059 AMP 2 . SING P O2P no N 2 . 16059 AMP 3 . SING P O3P no N 3 . 16059 AMP 4 . SING P O5' no N 4 . 16059 AMP 5 . SING O2P HOP2 no N 5 . 16059 AMP 6 . SING O3P HOP3 no N 6 . 16059 AMP 7 . SING O5' C5' no N 7 . 16059 AMP 8 . SING C5' C4' no N 8 . 16059 AMP 9 . SING C5' H5'1 no N 9 . 16059 AMP 10 . SING C5' H5'2 no N 10 . 16059 AMP 11 . SING C4' O4' no N 11 . 16059 AMP 12 . SING C4' C3' no N 12 . 16059 AMP 13 . SING C4' H4' no N 13 . 16059 AMP 14 . SING O4' C1' no N 14 . 16059 AMP 15 . SING C3' O3' no N 15 . 16059 AMP 16 . SING C3' C2' no N 16 . 16059 AMP 17 . SING C3' H3' no N 17 . 16059 AMP 18 . SING O3' HO3' no N 18 . 16059 AMP 19 . SING C2' O2' no N 19 . 16059 AMP 20 . SING C2' C1' no N 20 . 16059 AMP 21 . SING C2' H2' no N 21 . 16059 AMP 22 . SING O2' HO2' no N 22 . 16059 AMP 23 . SING C1' N9 no N 23 . 16059 AMP 24 . SING C1' H1' no N 24 . 16059 AMP 25 . SING N9 C8 yes N 25 . 16059 AMP 26 . SING N9 C4 yes N 26 . 16059 AMP 27 . DOUB C8 N7 yes N 27 . 16059 AMP 28 . SING C8 H8 no N 28 . 16059 AMP 29 . SING N7 C5 yes N 29 . 16059 AMP 30 . SING C5 C6 yes N 30 . 16059 AMP 31 . DOUB C5 C4 yes N 31 . 16059 AMP 32 . SING C6 N6 no N 32 . 16059 AMP 33 . DOUB C6 N1 yes N 33 . 16059 AMP 34 . SING N6 HN61 no N 34 . 16059 AMP 35 . SING N6 HN62 no N 35 . 16059 AMP 36 . SING N1 C2 yes N 36 . 16059 AMP 37 . DOUB C2 N3 yes N 37 . 16059 AMP 38 . SING C2 H2 no N 38 . 16059 AMP 39 . SING N3 C4 yes N 39 . 16059 AMP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16059 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 'Chv DNA Ligase' '[U-13C; U-15N; U-2H]' . . 1 $Chv_DNA_Ligase . . 0.3 . . mM . . . . 16059 1 2 'adenosine monophosphate' 'natural abundance' . . 2 $AMP . . 0.3 . . mM . . . . 16059 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16059 1 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 16059 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16059 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16059 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 16059 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.302 . M 16059 1 pH 6.5 . pH 16059 1 pressure 1 . atm 16059 1 temperature 298.15 . K 16059 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16059 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16059 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16059 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16059 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16059 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16059 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16059 1 2 spectrometer_2 Bruker Avance . 900 . . . 16059 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 16059 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16059 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16059 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16059 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16059 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16059 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16059 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16059 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 16059 _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 internal indirect 0.25144952 . . . . . . . . . 16059 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16059 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . . . . . . . 16059 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 16059 _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 ; Please note that the chemical shifts 1H and 15N resonances have been extracted from TROSY-based experiments (no TROSY correction has been performed. ; _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 7 '3D 1H-15N NOESY' . . . 16059 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 22 22 MET C C 13 174.8 0.1 . 1 . . . . 1 M CO . 16059 1 2 . 1 1 22 22 MET CA C 13 54.67 0.3 . 1 . . . . 1 M CA . 16059 1 3 . 1 1 22 22 MET CB C 13 32.27 0.3 . 1 . . . . 1 M CB . 16059 1 4 . 1 1 23 23 ALA H H 1 8.096 0.006 . 1 . . . . 2 A HN . 16059 1 5 . 1 1 23 23 ALA C C 13 177.5 0.1 . 1 . . . . 2 A CO . 16059 1 6 . 1 1 23 23 ALA CA C 13 52.8 0.3 . 1 . . . . 2 A CA . 16059 1 7 . 1 1 23 23 ALA CB C 13 18.86 0.3 . 1 . . . . 2 A CB . 16059 1 8 . 1 1 23 23 ALA N N 15 125.7 0.05 . 1 . . . . 2 A N . 16059 1 9 . 1 1 24 24 ILE H H 1 7.816 0.006 . 1 . . . . 3 I HN . 16059 1 10 . 1 1 24 24 ILE CA C 13 60.44 0.3 . 1 . . . . 3 I CA . 16059 1 11 . 1 1 24 24 ILE CB C 13 38.34 0.3 . 1 . . . . 3 I CB . 16059 1 12 . 1 1 24 24 ILE N N 15 117.4 0.05 . 1 . . . . 3 I N . 16059 1 13 . 1 1 25 25 THR H H 1 5.326 0.006 . 1 . . . . 4 T HN . 16059 1 14 . 1 1 25 25 THR C C 13 174.2 0.1 . 1 . . . . 4 T CO . 16059 1 15 . 1 1 25 25 THR CA C 13 63.65 0.3 . 1 . . . . 4 T CA . 16059 1 16 . 1 1 25 25 THR CB C 13 67.97 0.3 . 1 . . . . 4 T CB . 16059 1 17 . 1 1 25 25 THR N N 15 118 0.05 . 1 . . . . 4 T N . 16059 1 18 . 1 1 26 26 LYS H H 1 6.658 0.006 . 1 . . . . 5 K HN . 16059 1 19 . 1 1 26 26 LYS CA C 13 53.87 0.3 . 1 . . . . 5 K CA . 16059 1 20 . 1 1 26 26 LYS CB C 13 34.61 0.3 . 1 . . . . 5 K CB . 16059 1 21 . 1 1 26 26 LYS N N 15 117.8 0.05 . 1 . . . . 5 K N . 16059 1 22 . 1 1 27 27 PRO C C 13 175.5 0.1 . 1 . . . . 6 P CO . 16059 1 23 . 1 1 27 27 PRO CA C 13 62.42 0.3 . 1 . . . . 6 P CA . 16059 1 24 . 1 1 27 27 PRO CB C 13 30.69 0.3 . 1 . . . . 6 P CB . 16059 1 25 . 1 1 28 28 LEU H H 1 7.186 0.006 . 1 . . . . 7 L HN . 16059 1 26 . 1 1 28 28 LEU C C 13 176.8 0.1 . 1 . . . . 7 L CO . 16059 1 27 . 1 1 28 28 LEU CA C 13 55.27 0.3 . 1 . . . . 7 L CA . 16059 1 28 . 1 1 28 28 LEU CB C 13 40.62 0.3 . 1 . . . . 7 L CB . 16059 1 29 . 1 1 28 28 LEU N N 15 122.5 0.05 . 1 . . . . 7 L N . 16059 1 30 . 1 1 29 29 LEU H H 1 7.697 0.006 . 1 . . . . 8 L HN . 16059 1 31 . 1 1 29 29 LEU C C 13 176.2 0.1 . 1 . . . . 8 L CO . 16059 1 32 . 1 1 29 29 LEU CA C 13 52.48 0.3 . 1 . . . . 8 L CA . 16059 1 33 . 1 1 29 29 LEU CB C 13 44.14 0.3 . 1 . . . . 8 L CB . 16059 1 34 . 1 1 29 29 LEU N N 15 125.7 0.05 . 1 . . . . 8 L N . 16059 1 35 . 1 1 30 30 ALA H H 1 8.245 0.006 . 1 . . . . 9 A HN . 16059 1 36 . 1 1 30 30 ALA C C 13 178.1 0.1 . 1 . . . . 9 A CO . 16059 1 37 . 1 1 30 30 ALA CA C 13 51.19 0.3 . 1 . . . . 9 A CA . 16059 1 38 . 1 1 30 30 ALA CB C 13 21.46 0.3 . 1 . . . . 9 A CB . 16059 1 39 . 1 1 30 30 ALA N N 15 123.1 0.05 . 1 . . . . 9 A N . 16059 1 40 . 1 1 31 31 ALA H H 1 8.155 0.006 . 1 . . . . 10 A HN . 16059 1 41 . 1 1 31 31 ALA C C 13 177.2 0.1 . 1 . . . . 10 A CO . 16059 1 42 . 1 1 31 31 ALA CA C 13 50.13 0.3 . 1 . . . . 10 A CA . 16059 1 43 . 1 1 31 31 ALA CB C 13 18.43 0.3 . 1 . . . . 10 A CB . 16059 1 44 . 1 1 31 31 ALA N N 15 124.5 0.05 . 1 . . . . 10 A N . 16059 1 45 . 1 1 32 32 THR H H 1 8.684 0.006 . 1 . . . . 11 T HN . 16059 1 46 . 1 1 32 32 THR C C 13 173 0.1 . 1 . . . . 11 T CO . 16059 1 47 . 1 1 32 32 THR CA C 13 63.44 0.3 . 1 . . . . 11 T CA . 16059 1 48 . 1 1 32 32 THR CB C 13 68.87 0.3 . 1 . . . . 11 T CB . 16059 1 49 . 1 1 32 32 THR N N 15 119.5 0.05 . 1 . . . . 11 T N . 16059 1 50 . 1 1 33 33 LEU H H 1 8.266 0.006 . 1 . . . . 12 L HN . 16059 1 51 . 1 1 33 33 LEU CA C 13 54.57 0.3 . 1 . . . . 12 L CA . 16059 1 52 . 1 1 33 33 LEU CB C 13 42.88 0.3 . 1 . . . . 12 L CB . 16059 1 53 . 1 1 33 33 LEU N N 15 129.2 0.05 . 1 . . . . 12 L N . 16059 1 54 . 1 1 35 35 ASN C C 13 176.1 0.1 . 1 . . . . 14 N CO . 16059 1 55 . 1 1 35 35 ASN CA C 13 51.14 0.3 . 1 . . . . 14 N CA . 16059 1 56 . 1 1 36 36 ILE H H 1 8.881 0.006 . 1 . . . . 15 I HN . 16059 1 57 . 1 1 36 36 ILE CA C 13 63.52 0.3 . 1 . . . . 15 I CA . 16059 1 58 . 1 1 36 36 ILE CB C 13 37.31 0.3 . 1 . . . . 15 I CB . 16059 1 59 . 1 1 36 36 ILE N N 15 125.1 0.05 . 1 . . . . 15 I N . 16059 1 60 . 1 1 37 37 GLU C C 13 176.7 0.1 . 1 . . . . 16 E CO . 16059 1 61 . 1 1 37 37 GLU CA C 13 58.06 0.3 . 1 . . . . 16 E CA . 16059 1 62 . 1 1 37 37 GLU CB C 13 28.19 0.3 . 1 . . . . 16 E CB . 16059 1 63 . 1 1 38 38 ASP H H 1 7.761 0.006 . 1 . . . . 17 D HN . 16059 1 64 . 1 1 38 38 ASP C C 13 176.6 0.1 . 1 . . . . 17 D CO . 16059 1 65 . 1 1 38 38 ASP CA C 13 55.16 0.3 . 1 . . . . 17 D CA . 16059 1 66 . 1 1 38 38 ASP CB C 13 40.72 0.3 . 1 . . . . 17 D CB . 16059 1 67 . 1 1 38 38 ASP N N 15 117 0.05 . 1 . . . . 17 D N . 16059 1 68 . 1 1 39 39 VAL H H 1 7.043 0.006 . 1 . . . . 18 V HN . 16059 1 69 . 1 1 39 39 VAL C C 13 174.5 0.1 . 1 . . . . 18 V CO . 16059 1 70 . 1 1 39 39 VAL CA C 13 63.23 0.3 . 1 . . . . 18 V CA . 16059 1 71 . 1 1 39 39 VAL CB C 13 30.85 0.3 . 1 . . . . 18 V CB . 16059 1 72 . 1 1 39 39 VAL N N 15 121.5 0.05 . 1 . . . . 18 V N . 16059 1 73 . 1 1 40 40 GLN H H 1 8.369 0.006 . 1 . . . . 19 Q HN . 16059 1 74 . 1 1 40 40 GLN C C 13 173.9 0.1 . 1 . . . . 19 Q CO . 16059 1 75 . 1 1 40 40 GLN CA C 13 53.79 0.3 . 1 . . . . 19 Q CA . 16059 1 76 . 1 1 40 40 GLN CB C 13 28.98 0.3 . 1 . . . . 19 Q CB . 16059 1 77 . 1 1 40 40 GLN N N 15 126.9 0.05 . 1 . . . . 19 Q N . 16059 1 78 . 1 1 41 41 PHE H H 1 8.259 0.006 . 1 . . . . 20 F HN . 16059 1 79 . 1 1 41 41 PHE CA C 13 55.78 0.3 . 1 . . . . 20 F CA . 16059 1 80 . 1 1 41 41 PHE CB C 13 40.02 0.3 . 1 . . . . 20 F CB . 16059 1 81 . 1 1 41 41 PHE N N 15 120.1 0.05 . 1 . . . . 20 F N . 16059 1 82 . 1 1 42 42 PRO C C 13 175.6 0.1 . 1 . . . . 21 P CO . 16059 1 83 . 1 1 42 42 PRO CA C 13 62.34 0.3 . 1 . . . . 21 P CA . 16059 1 84 . 1 1 43 43 CYS H H 1 9.101 0.006 . 1 . . . . 22 C HN . 16059 1 85 . 1 1 43 43 CYS C C 13 171.8 0.1 . 1 . . . . 22 C CO . 16059 1 86 . 1 1 43 43 CYS CA C 13 54.95 0.3 . 1 . . . . 22 C CA . 16059 1 87 . 1 1 43 43 CYS CB C 13 30.83 0.3 . 1 . . . . 22 C CB . 16059 1 88 . 1 1 43 43 CYS N N 15 115.6 0.05 . 1 . . . . 22 C N . 16059 1 89 . 1 1 44 44 LEU H H 1 8.508 0.006 . 1 . . . . 23 L HN . 16059 1 90 . 1 1 44 44 LEU C C 13 176.1 0.1 . 1 . . . . 23 L CO . 16059 1 91 . 1 1 44 44 LEU CA C 13 52.95 0.3 . 1 . . . . 23 L CA . 16059 1 92 . 1 1 44 44 LEU CB C 13 43.72 0.3 . 1 . . . . 23 L CB . 16059 1 93 . 1 1 44 44 LEU N N 15 120.4 0.05 . 1 . . . . 23 L N . 16059 1 94 . 1 1 45 45 ALA H H 1 9.122 0.006 . 1 . . . . 24 A HN . 16059 1 95 . 1 1 45 45 ALA C C 13 175.9 0.1 . 1 . . . . 24 A CO . 16059 1 96 . 1 1 45 45 ALA CA C 13 50.57 0.3 . 1 . . . . 24 A CA . 16059 1 97 . 1 1 45 45 ALA CB C 13 22.66 0.3 . 1 . . . . 24 A CB . 16059 1 98 . 1 1 45 45 ALA N N 15 129.6 0.05 . 1 . . . . 24 A N . 16059 1 99 . 1 1 46 46 THR H H 1 8.593 0.006 . 1 . . . . 25 T HN . 16059 1 100 . 1 1 46 46 THR CA C 13 58.44 0.3 . 1 . . . . 25 T CA . 16059 1 101 . 1 1 46 46 THR CB C 13 70.7 0.3 . 1 . . . . 25 T CB . 16059 1 102 . 1 1 46 46 THR N N 15 109.1 0.05 . 1 . . . . 25 T N . 16059 1 103 . 1 1 47 47 PRO C C 13 175.2 0.1 . 1 . . . . 26 P CO . 16059 1 104 . 1 1 47 47 PRO CA C 13 61.76 0.3 . 1 . . . . 26 P CA . 16059 1 105 . 1 1 47 47 PRO CB C 13 30.84 0.3 . 1 . . . . 26 P CB . 16059 1 106 . 1 1 48 48 LYS H H 1 7.635 0.006 . 1 . . . . 27 K HN . 16059 1 107 . 1 1 48 48 LYS C C 13 174.8 0.1 . 1 . . . . 27 K CO . 16059 1 108 . 1 1 48 48 LYS CA C 13 56.54 0.3 . 1 . . . . 27 K CA . 16059 1 109 . 1 1 48 48 LYS CB C 13 32.95 0.3 . 1 . . . . 27 K CB . 16059 1 110 . 1 1 48 48 LYS N N 15 121.4 0.05 . 1 . . . . 27 K N . 16059 1 111 . 1 1 49 49 ILE H H 1 9.4 0.006 . 1 . . . . 28 I HN . 16059 1 112 . 1 1 49 49 ILE C C 13 175.7 0.1 . 1 . . . . 28 I CO . 16059 1 113 . 1 1 49 49 ILE CA C 13 58 0.3 . 1 . . . . 28 I CA . 16059 1 114 . 1 1 49 49 ILE CB C 13 36.4 0.3 . 1 . . . . 28 I CB . 16059 1 115 . 1 1 49 49 ILE N N 15 129.8 0.05 . 1 . . . . 28 I N . 16059 1 116 . 1 1 50 50 ASP H H 1 8.7 0.006 . 1 . . . . 29 D HN . 16059 1 117 . 1 1 50 50 ASP C C 13 175.1 0.1 . 1 . . . . 29 D CO . 16059 1 118 . 1 1 50 50 ASP CA C 13 52.42 0.3 . 1 . . . . 29 D CA . 16059 1 119 . 1 1 50 50 ASP CB C 13 40.96 0.3 . 1 . . . . 29 D CB . 16059 1 120 . 1 1 50 50 ASP N N 15 128.6 0.05 . 1 . . . . 29 D N . 16059 1 121 . 1 1 51 51 GLY H H 1 7.735 0.006 . 1 . . . . 30 G HN . 16059 1 122 . 1 1 51 51 GLY C C 13 172.1 0.1 . 1 . . . . 30 G CO . 16059 1 123 . 1 1 51 51 GLY CA C 13 45.04 0.3 . 1 . . . . 30 G CA . 16059 1 124 . 1 1 51 51 GLY N N 15 112.1 0.05 . 1 . . . . 30 G N . 16059 1 125 . 1 1 52 52 ILE H H 1 9.036 0.006 . 1 . . . . 31 I HN . 16059 1 126 . 1 1 52 52 ILE C C 13 175.9 0.1 . 1 . . . . 31 I CO . 16059 1 127 . 1 1 52 52 ILE CA C 13 57.64 0.3 . 1 . . . . 31 I CA . 16059 1 128 . 1 1 52 52 ILE CB C 13 37.56 0.3 . 1 . . . . 31 I CB . 16059 1 129 . 1 1 52 52 ILE N N 15 121.2 0.05 . 1 . . . . 31 I N . 16059 1 130 . 1 1 53 53 ARG H H 1 8.508 0.006 . 1 . . . . 32 R HN . 16059 1 131 . 1 1 53 53 ARG C C 13 175.7 0.1 . 1 . . . . 32 R CO . 16059 1 132 . 1 1 53 53 ARG CA C 13 55.57 0.3 . 1 . . . . 32 R CA . 16059 1 133 . 1 1 53 53 ARG CB C 13 30.49 0.3 . 1 . . . . 32 R CB . 16059 1 134 . 1 1 53 53 ARG N N 15 131.6 0.05 . 1 . . . . 32 R N . 16059 1 135 . 1 1 54 54 SER H H 1 8.756 0.006 . 1 . . . . 33 S HN . 16059 1 136 . 1 1 54 54 SER C C 13 173.4 0.1 . 1 . . . . 33 S CO . 16059 1 137 . 1 1 54 54 SER CA C 13 57.22 0.3 . 1 . . . . 33 S CA . 16059 1 138 . 1 1 54 54 SER CB C 13 65.03 0.3 . 1 . . . . 33 S CB . 16059 1 139 . 1 1 54 54 SER N N 15 120 0.05 . 1 . . . . 33 S N . 16059 1 140 . 1 1 55 55 VAL H H 1 8.19 0.006 . 1 . . . . 34 V HN . 16059 1 141 . 1 1 55 55 VAL C C 13 175 0.1 . 1 . . . . 34 V CO . 16059 1 142 . 1 1 55 55 VAL CA C 13 57.8 0.3 . 1 . . . . 34 V CA . 16059 1 143 . 1 1 55 55 VAL CB C 13 34.17 0.3 . 1 . . . . 34 V CB . 16059 1 144 . 1 1 55 55 VAL N N 15 125.8 0.05 . 1 . . . . 34 V N . 16059 1 145 . 1 1 56 56 LYS H H 1 8.61 0.006 . 1 . . . . 35 K HN . 16059 1 146 . 1 1 56 56 LYS C C 13 177.1 0.1 . 1 . . . . 35 K CO . 16059 1 147 . 1 1 56 56 LYS CA C 13 55.37 0.3 . 1 . . . . 35 K CA . 16059 1 148 . 1 1 56 56 LYS CB C 13 32.55 0.3 . 1 . . . . 35 K CB . 16059 1 149 . 1 1 56 56 LYS N N 15 124.4 0.05 . 1 . . . . 35 K N . 16059 1 150 . 1 1 57 57 GLN H H 1 8.306 0.006 . 1 . . . . 36 Q HN . 16059 1 151 . 1 1 57 57 GLN CA C 13 55.46 0.3 . 1 . . . . 36 Q CA . 16059 1 152 . 1 1 57 57 GLN CB C 13 28.99 0.3 . 1 . . . . 36 Q CB . 16059 1 153 . 1 1 57 57 GLN N N 15 133 0.05 . 1 . . . . 36 Q N . 16059 1 154 . 1 1 59 59 GLN CA C 13 52.95 0.3 . 1 . . . . 38 Q CA . 16059 1 155 . 1 1 59 59 GLN CB C 13 30.26 0.3 . 1 . . . . 38 Q CB . 16059 1 156 . 1 1 60 60 MET H H 1 8.094 0.006 . 1 . . . . 39 M HN . 16059 1 157 . 1 1 60 60 MET C C 13 176.1 0.1 . 1 . . . . 39 M CO . 16059 1 158 . 1 1 60 60 MET CA C 13 53.42 0.3 . 1 . . . . 39 M CA . 16059 1 159 . 1 1 60 60 MET CB C 13 26.82 0.3 . 1 . . . . 39 M CB . 16059 1 160 . 1 1 60 60 MET N N 15 115.9 0.05 . 1 . . . . 39 M N . 16059 1 161 . 1 1 61 61 LEU H H 1 8.986 0.006 . 1 . . . . 40 L HN . 16059 1 162 . 1 1 61 61 LEU C C 13 178.1 0.1 . 1 . . . . 40 L CO . 16059 1 163 . 1 1 61 61 LEU CA C 13 52.02 0.3 . 1 . . . . 40 L CA . 16059 1 164 . 1 1 61 61 LEU CB C 13 44.67 0.3 . 1 . . . . 40 L CB . 16059 1 165 . 1 1 61 61 LEU N N 15 123.2 0.05 . 1 . . . . 40 L N . 16059 1 166 . 1 1 62 62 SER H H 1 9.182 0.006 . 1 . . . . 41 S HN . 16059 1 167 . 1 1 62 62 SER C C 13 175.8 0.1 . 1 . . . . 41 S CO . 16059 1 168 . 1 1 62 62 SER CA C 13 56.78 0.3 . 1 . . . . 41 S CA . 16059 1 169 . 1 1 62 62 SER CB C 13 65.17 0.3 . 1 . . . . 41 S CB . 16059 1 170 . 1 1 62 62 SER N N 15 117.9 0.05 . 1 . . . . 41 S N . 16059 1 171 . 1 1 63 63 ARG H H 1 9.276 0.006 . 1 . . . . 42 R HN . 16059 1 172 . 1 1 63 63 ARG C C 13 176.1 0.1 . 1 . . . . 42 R CO . 16059 1 173 . 1 1 63 63 ARG CA C 13 58.43 0.3 . 1 . . . . 42 R CA . 16059 1 174 . 1 1 63 63 ARG CB C 13 28.91 0.3 . 1 . . . . 42 R CB . 16059 1 175 . 1 1 63 63 ARG N N 15 118 0.05 . 1 . . . . 42 R N . 16059 1 176 . 1 1 64 64 THR H H 1 7.567 0.006 . 1 . . . . 43 T HN . 16059 1 177 . 1 1 64 64 THR C C 13 177.1 0.1 . 1 . . . . 43 T CO . 16059 1 178 . 1 1 64 64 THR CA C 13 60.94 0.3 . 1 . . . . 43 T CA . 16059 1 179 . 1 1 64 64 THR CB C 13 67.95 0.3 . 1 . . . . 43 T CB . 16059 1 180 . 1 1 64 64 THR N N 15 107.7 0.05 . 1 . . . . 43 T N . 16059 1 181 . 1 1 65 65 PHE H H 1 8.444 0.006 . 1 . . . . 44 F HN . 16059 1 182 . 1 1 65 65 PHE C C 13 174.1 0.1 . 1 . . . . 44 F CO . 16059 1 183 . 1 1 65 65 PHE CA C 13 58.59 0.3 . 1 . . . . 44 F CA . 16059 1 184 . 1 1 65 65 PHE CB C 13 33.31 0.3 . 1 . . . . 44 F CB . 16059 1 185 . 1 1 65 65 PHE N N 15 118.4 0.05 . 1 . . . . 44 F N . 16059 1 186 . 1 1 66 66 LYS H H 1 7.164 0.006 . 1 . . . . 45 K HN . 16059 1 187 . 1 1 66 66 LYS CA C 13 52.6 0.3 . 1 . . . . 45 K CA . 16059 1 188 . 1 1 66 66 LYS CB C 13 31.25 0.3 . 1 . . . . 45 K CB . 16059 1 189 . 1 1 66 66 LYS N N 15 117.2 0.05 . 1 . . . . 45 K N . 16059 1 190 . 1 1 67 67 PRO C C 13 177.7 0.1 . 1 . . . . 46 P CO . 16059 1 191 . 1 1 67 67 PRO CA C 13 62.93 0.3 . 1 . . . . 46 P CA . 16059 1 192 . 1 1 67 67 PRO CB C 13 31.04 0.3 . 1 . . . . 46 P CB . 16059 1 193 . 1 1 68 68 ILE H H 1 7.823 0.006 . 1 . . . . 47 I HN . 16059 1 194 . 1 1 68 68 ILE CA C 13 60.24 0.3 . 1 . . . . 47 I CA . 16059 1 195 . 1 1 68 68 ILE CB C 13 35.63 0.3 . 1 . . . . 47 I CB . 16059 1 196 . 1 1 68 68 ILE N N 15 121.7 0.05 . 1 . . . . 47 I N . 16059 1 197 . 1 1 69 69 ARG H H 1 7.561 0.006 . 1 . . . . 48 R HN . 16059 1 198 . 1 1 69 69 ARG C C 13 176.3 0.1 . 1 . . . . 48 R CO . 16059 1 199 . 1 1 69 69 ARG CA C 13 57.76 0.3 . 1 . . . . 48 R CA . 16059 1 200 . 1 1 69 69 ARG CB C 13 29.35 0.3 . 1 . . . . 48 R CB . 16059 1 201 . 1 1 69 69 ARG N N 15 125.5 0.05 . 1 . . . . 48 R N . 16059 1 202 . 1 1 70 70 ASN H H 1 7.224 0.006 . 1 . . . . 49 N HN . 16059 1 203 . 1 1 70 70 ASN C C 13 175.6 0.1 . 1 . . . . 49 N CO . 16059 1 204 . 1 1 70 70 ASN CA C 13 53.65 0.3 . 1 . . . . 49 N CA . 16059 1 205 . 1 1 70 70 ASN CB C 13 36.26 0.3 . 1 . . . . 49 N CB . 16059 1 206 . 1 1 70 70 ASN N N 15 116.9 0.05 . 1 . . . . 49 N N . 16059 1 207 . 1 1 71 71 SER H H 1 8.294 0.006 . 1 . . . . 50 S HN . 16059 1 208 . 1 1 71 71 SER C C 13 176.3 0.1 . 1 . . . . 50 S CO . 16059 1 209 . 1 1 71 71 SER CA C 13 61.1 0.3 . 1 . . . . 50 S CA . 16059 1 210 . 1 1 71 71 SER CB C 13 62.43 0.3 . 1 . . . . 50 S CB . 16059 1 211 . 1 1 71 71 SER N N 15 125.6 0.05 . 1 . . . . 50 S N . 16059 1 212 . 1 1 72 72 VAL H H 1 7.605 0.006 . 1 . . . . 51 V HN . 16059 1 213 . 1 1 72 72 VAL C C 13 177.9 0.1 . 1 . . . . 51 V CO . 16059 1 214 . 1 1 72 72 VAL CA C 13 65.88 0.3 . 1 . . . . 51 V CA . 16059 1 215 . 1 1 72 72 VAL CB C 13 31.09 0.3 . 1 . . . . 51 V CB . 16059 1 216 . 1 1 72 72 VAL N N 15 124.3 0.05 . 1 . . . . 51 V N . 16059 1 217 . 1 1 73 73 MET H H 1 7.126 0.006 . 1 . . . . 52 M HN . 16059 1 218 . 1 1 73 73 MET C C 13 177.6 0.1 . 1 . . . . 52 M CO . 16059 1 219 . 1 1 73 73 MET CA C 13 59.09 0.3 . 1 . . . . 52 M CA . 16059 1 220 . 1 1 73 73 MET CB C 13 32.25 0.3 . 1 . . . . 52 M CB . 16059 1 221 . 1 1 73 73 MET N N 15 117.2 0.05 . 1 . . . . 52 M N . 16059 1 222 . 1 1 74 74 ASN H H 1 8.1 0.006 . 1 . . . . 53 N HN . 16059 1 223 . 1 1 74 74 ASN C C 13 177.8 0.1 . 1 . . . . 53 N CO . 16059 1 224 . 1 1 74 74 ASN CA C 13 55.79 0.3 . 1 . . . . 53 N CA . 16059 1 225 . 1 1 74 74 ASN CB C 13 38.55 0.3 . 1 . . . . 53 N CB . 16059 1 226 . 1 1 74 74 ASN N N 15 114.3 0.05 . 1 . . . . 53 N N . 16059 1 227 . 1 1 75 75 ARG H H 1 8.332 0.006 . 1 . . . . 54 R HN . 16059 1 228 . 1 1 75 75 ARG C C 13 178.8 0.1 . 1 . . . . 54 R CO . 16059 1 229 . 1 1 75 75 ARG CA C 13 60.05 0.3 . 1 . . . . 54 R CA . 16059 1 230 . 1 1 75 75 ARG CB C 13 29.12 0.3 . 1 . . . . 54 R CB . 16059 1 231 . 1 1 75 75 ARG N N 15 121.4 0.05 . 1 . . . . 54 R N . 16059 1 232 . 1 1 76 76 LEU H H 1 8.126 0.006 . 1 . . . . 55 L HN . 16059 1 233 . 1 1 76 76 LEU C C 13 179.1 0.1 . 1 . . . . 55 L CO . 16059 1 234 . 1 1 76 76 LEU CA C 13 57.62 0.3 . 1 . . . . 55 L CA . 16059 1 235 . 1 1 76 76 LEU CB C 13 42.18 0.3 . 1 . . . . 55 L CB . 16059 1 236 . 1 1 76 76 LEU N N 15 118.1 0.05 . 1 . . . . 55 L N . 16059 1 237 . 1 1 77 77 LEU H H 1 7.682 0.006 . 1 . . . . 56 L HN . 16059 1 238 . 1 1 77 77 LEU C C 13 178.1 0.1 . 1 . . . . 56 L CO . 16059 1 239 . 1 1 77 77 LEU CA C 13 57.35 0.3 . 1 . . . . 56 L CA . 16059 1 240 . 1 1 77 77 LEU CB C 13 39 0.3 . 1 . . . . 56 L CB . 16059 1 241 . 1 1 77 77 LEU N N 15 116.2 0.05 . 1 . . . . 56 L N . 16059 1 242 . 1 1 78 78 THR H H 1 8.292 0.006 . 1 . . . . 57 T HN . 16059 1 243 . 1 1 78 78 THR C C 13 176.3 0.1 . 1 . . . . 57 T CO . 16059 1 244 . 1 1 78 78 THR CA C 13 67.68 0.3 . 1 . . . . 57 T CA . 16059 1 245 . 1 1 78 78 THR N N 15 115.1 0.05 . 1 . . . . 57 T N . 16059 1 246 . 1 1 79 79 GLU H H 1 7.495 0.006 . 1 . . . . 58 E HN . 16059 1 247 . 1 1 79 79 GLU C C 13 178.2 0.1 . 1 . . . . 58 E CO . 16059 1 248 . 1 1 79 79 GLU CA C 13 58.25 0.3 . 1 . . . . 58 E CA . 16059 1 249 . 1 1 79 79 GLU CB C 13 29.06 0.3 . 1 . . . . 58 E CB . 16059 1 250 . 1 1 79 79 GLU N N 15 119.2 0.05 . 1 . . . . 58 E N . 16059 1 251 . 1 1 80 80 LEU H H 1 7.2 0.006 . 1 . . . . 59 L HN . 16059 1 252 . 1 1 80 80 LEU C C 13 177 0.1 . 1 . . . . 59 L CO . 16059 1 253 . 1 1 80 80 LEU CA C 13 56.63 0.3 . 1 . . . . 59 L CA . 16059 1 254 . 1 1 80 80 LEU CB C 13 44.24 0.3 . 1 . . . . 59 L CB . 16059 1 255 . 1 1 80 80 LEU N N 15 118.3 0.05 . 1 . . . . 59 L N . 16059 1 256 . 1 1 81 81 LEU H H 1 7.589 0.006 . 1 . . . . 60 L HN . 16059 1 257 . 1 1 81 81 LEU CA C 13 51.2 0.3 . 1 . . . . 60 L CA . 16059 1 258 . 1 1 81 81 LEU CB C 13 40.49 0.3 . 1 . . . . 60 L CB . 16059 1 259 . 1 1 81 81 LEU N N 15 117.3 0.05 . 1 . . . . 60 L N . 16059 1 260 . 1 1 82 82 PRO C C 13 178.4 0.1 . 1 . . . . 61 P CO . 16059 1 261 . 1 1 82 82 PRO CA C 13 60.88 0.3 . 1 . . . . 61 P CA . 16059 1 262 . 1 1 82 82 PRO CB C 13 30.95 0.3 . 1 . . . . 61 P CB . 16059 1 263 . 1 1 83 83 GLU H H 1 8.406 0.006 . 1 . . . . 62 E HN . 16059 1 264 . 1 1 83 83 GLU C C 13 176.4 0.1 . 1 . . . . 62 E CO . 16059 1 265 . 1 1 83 83 GLU CA C 13 57.08 0.3 . 1 . . . . 62 E CA . 16059 1 266 . 1 1 83 83 GLU CB C 13 29.24 0.3 . 1 . . . . 62 E CB . 16059 1 267 . 1 1 83 83 GLU N N 15 123.2 0.05 . 1 . . . . 62 E N . 16059 1 268 . 1 1 84 84 GLY H H 1 8.29 0.006 . 1 . . . . 63 G HN . 16059 1 269 . 1 1 84 84 GLY C C 13 175.4 0.1 . 1 . . . . 63 G CO . 16059 1 270 . 1 1 84 84 GLY CA C 13 44.82 0.3 . 1 . . . . 63 G CA . 16059 1 271 . 1 1 84 84 GLY N N 15 112.1 0.05 . 1 . . . . 63 G N . 16059 1 272 . 1 1 85 85 SER H H 1 7.162 0.006 . 1 . . . . 64 S HN . 16059 1 273 . 1 1 85 85 SER C C 13 175.9 0.1 . 1 . . . . 64 S CO . 16059 1 274 . 1 1 85 85 SER CA C 13 61.8 0.3 . 1 . . . . 64 S CA . 16059 1 275 . 1 1 85 85 SER CB C 13 63.74 0.3 . 1 . . . . 64 S CB . 16059 1 276 . 1 1 85 85 SER N N 15 116.7 0.05 . 1 . . . . 64 S N . 16059 1 277 . 1 1 86 86 ASP H H 1 8.264 0.006 . 1 . . . . 65 D HN . 16059 1 278 . 1 1 86 86 ASP C C 13 174.5 0.1 . 1 . . . . 65 D CO . 16059 1 279 . 1 1 86 86 ASP CA C 13 52.17 0.3 . 1 . . . . 65 D CA . 16059 1 280 . 1 1 86 86 ASP CB C 13 44.42 0.3 . 1 . . . . 65 D CB . 16059 1 281 . 1 1 86 86 ASP N N 15 121.8 0.05 . 1 . . . . 65 D N . 16059 1 282 . 1 1 87 87 GLY H H 1 7.512 0.006 . 1 . . . . 66 G HN . 16059 1 283 . 1 1 87 87 GLY C C 13 171.9 0.1 . 1 . . . . 66 G CO . 16059 1 284 . 1 1 87 87 GLY CA C 13 45.7 0.3 . 1 . . . . 66 G CA . 16059 1 285 . 1 1 87 87 GLY N N 15 117.9 0.05 . 1 . . . . 66 G N . 16059 1 286 . 1 1 88 88 GLU H H 1 7.656 0.006 . 1 . . . . 67 E HN . 16059 1 287 . 1 1 88 88 GLU C C 13 174.5 0.1 . 1 . . . . 67 E CO . 16059 1 288 . 1 1 88 88 GLU CA C 13 53.3 0.3 . 1 . . . . 67 E CA . 16059 1 289 . 1 1 88 88 GLU CB C 13 33.2 0.3 . 1 . . . . 67 E CB . 16059 1 290 . 1 1 88 88 GLU N N 15 116.8 0.05 . 1 . . . . 67 E N . 16059 1 291 . 1 1 89 89 ILE H H 1 9.124 0.006 . 1 . . . . 68 I HN . 16059 1 292 . 1 1 89 89 ILE C C 13 175.4 0.1 . 1 . . . . 68 I CO . 16059 1 293 . 1 1 89 89 ILE CA C 13 61.11 0.3 . 1 . . . . 68 I CA . 16059 1 294 . 1 1 89 89 ILE CB C 13 39.47 0.3 . 1 . . . . 68 I CB . 16059 1 295 . 1 1 89 89 ILE N N 15 124.3 0.05 . 1 . . . . 68 I N . 16059 1 296 . 1 1 90 90 SER H H 1 8.884 0.006 . 1 . . . . 69 S HN . 16059 1 297 . 1 1 90 90 SER C C 13 172.7 0.1 . 1 . . . . 69 S CO . 16059 1 298 . 1 1 90 90 SER CA C 13 56.96 0.3 . 1 . . . . 69 S CA . 16059 1 299 . 1 1 90 90 SER CB C 13 65.42 0.3 . 1 . . . . 69 S CB . 16059 1 300 . 1 1 90 90 SER N N 15 121.2 0.05 . 1 . . . . 69 S N . 16059 1 301 . 1 1 91 91 ILE H H 1 8.162 0.006 . 1 . . . . 70 I HN . 16059 1 302 . 1 1 91 91 ILE C C 13 176.4 0.1 . 1 . . . . 70 I CO . 16059 1 303 . 1 1 91 91 ILE CA C 13 60.36 0.3 . 1 . . . . 70 I CA . 16059 1 304 . 1 1 91 91 ILE CB C 13 38.31 0.3 . 1 . . . . 70 I CB . 16059 1 305 . 1 1 91 91 ILE N N 15 126 0.05 . 1 . . . . 70 I N . 16059 1 306 . 1 1 92 92 GLU H H 1 8.927 0.006 . 1 . . . . 71 E HN . 16059 1 307 . 1 1 92 92 GLU C C 13 178.3 0.1 . 1 . . . . 71 E CO . 16059 1 308 . 1 1 92 92 GLU CA C 13 57.95 0.3 . 1 . . . . 71 E CA . 16059 1 309 . 1 1 92 92 GLU CB C 13 28.42 0.3 . 1 . . . . 71 E CB . 16059 1 310 . 1 1 92 92 GLU N N 15 129.7 0.05 . 1 . . . . 71 E N . 16059 1 311 . 1 1 93 93 GLY H H 1 8.907 0.006 . 1 . . . . 72 G HN . 16059 1 312 . 1 1 93 93 GLY C C 13 173.5 0.1 . 1 . . . . 72 G CO . 16059 1 313 . 1 1 93 93 GLY CA C 13 45.4 0.3 . 1 . . . . 72 G CA . 16059 1 314 . 1 1 93 93 GLY N N 15 114.2 0.05 . 1 . . . . 72 G N . 16059 1 315 . 1 1 94 94 ALA H H 1 7.546 0.006 . 1 . . . . 73 A HN . 16059 1 316 . 1 1 94 94 ALA C C 13 178.8 0.1 . 1 . . . . 73 A CO . 16059 1 317 . 1 1 94 94 ALA CA C 13 50.63 0.3 . 1 . . . . 73 A CA . 16059 1 318 . 1 1 94 94 ALA CB C 13 20.34 0.3 . 1 . . . . 73 A CB . 16059 1 319 . 1 1 94 94 ALA N N 15 123.3 0.05 . 1 . . . . 73 A N . 16059 1 320 . 1 1 95 95 THR H H 1 8.627 0.006 . 1 . . . . 74 T HN . 16059 1 321 . 1 1 95 95 THR CA C 13 60.81 0.3 . 1 . . . . 74 T CA . 16059 1 322 . 1 1 95 95 THR CB C 13 71.11 0.3 . 1 . . . . 74 T CB . 16059 1 323 . 1 1 95 95 THR N N 15 112 0.05 . 1 . . . . 74 T N . 16059 1 324 . 1 1 96 96 PHE H H 1 9.292 0.006 . 1 . . . . 75 F HN . 16059 1 325 . 1 1 96 96 PHE C C 13 178.9 0.1 . 1 . . . . 75 F CO . 16059 1 326 . 1 1 96 96 PHE CA C 13 61.53 0.3 . 1 . . . . 75 F CA . 16059 1 327 . 1 1 96 96 PHE CB C 13 38.38 0.3 . 1 . . . . 75 F CB . 16059 1 328 . 1 1 96 96 PHE N N 15 125.3 0.05 . 1 . . . . 75 F N . 16059 1 329 . 1 1 97 97 GLN H H 1 8.742 0.006 . 1 . . . . 76 Q HN . 16059 1 330 . 1 1 97 97 GLN C C 13 178.4 0.1 . 1 . . . . 76 Q CO . 16059 1 331 . 1 1 97 97 GLN CA C 13 58.87 0.3 . 1 . . . . 76 Q CA . 16059 1 332 . 1 1 97 97 GLN CB C 13 27.28 0.3 . 1 . . . . 76 Q CB . 16059 1 333 . 1 1 97 97 GLN N N 15 121 0.05 . 1 . . . . 76 Q N . 16059 1 334 . 1 1 98 98 ASP H H 1 7.808 0.006 . 1 . . . . 77 D HN . 16059 1 335 . 1 1 98 98 ASP C C 13 179.4 0.1 . 1 . . . . 77 D CO . 16059 1 336 . 1 1 98 98 ASP CA C 13 56.88 0.3 . 1 . . . . 77 D CA . 16059 1 337 . 1 1 98 98 ASP CB C 13 39.46 0.3 . 1 . . . . 77 D CB . 16059 1 338 . 1 1 98 98 ASP N N 15 121.5 0.05 . 1 . . . . 77 D N . 16059 1 339 . 1 1 99 99 THR H H 1 8.428 0.006 . 1 . . . . 78 T HN . 16059 1 340 . 1 1 99 99 THR C C 13 175.7 0.1 . 1 . . . . 78 T CO . 16059 1 341 . 1 1 99 99 THR CA C 13 66.66 0.3 . 1 . . . . 78 T CA . 16059 1 342 . 1 1 99 99 THR N N 15 121 0.05 . 1 . . . . 78 T N . 16059 1 343 . 1 1 100 100 THR H H 1 8.181 0.006 . 1 . . . . 79 T HN . 16059 1 344 . 1 1 100 100 THR C C 13 176 0.1 . 1 . . . . 79 T CO . 16059 1 345 . 1 1 100 100 THR CA C 13 67.27 0.3 . 1 . . . . 79 T CA . 16059 1 346 . 1 1 100 100 THR N N 15 118.2 0.05 . 1 . . . . 79 T N . 16059 1 347 . 1 1 101 101 SER H H 1 7.843 0.006 . 1 . . . . 80 S HN . 16059 1 348 . 1 1 101 101 SER C C 13 176.5 0.1 . 1 . . . . 80 S CO . 16059 1 349 . 1 1 101 101 SER CA C 13 61.03 0.3 . 1 . . . . 80 S CA . 16059 1 350 . 1 1 101 101 SER CB C 13 62.13 0.3 . 1 . . . . 80 S CB . 16059 1 351 . 1 1 101 101 SER N N 15 115.5 0.05 . 1 . . . . 80 S N . 16059 1 352 . 1 1 102 102 ALA H H 1 7.672 0.006 . 1 . . . . 81 A HN . 16059 1 353 . 1 1 102 102 ALA C C 13 178.3 0.1 . 1 . . . . 81 A CO . 16059 1 354 . 1 1 102 102 ALA CA C 13 55.08 0.3 . 1 . . . . 81 A CA . 16059 1 355 . 1 1 102 102 ALA CB C 13 18.29 0.3 . 1 . . . . 81 A CB . 16059 1 356 . 1 1 102 102 ALA N N 15 123.3 0.05 . 1 . . . . 81 A N . 16059 1 357 . 1 1 103 103 VAL H H 1 7.67 0.006 . 1 . . . . 82 V HN . 16059 1 358 . 1 1 103 103 VAL C C 13 176.3 0.1 . 1 . . . . 82 V CO . 16059 1 359 . 1 1 103 103 VAL CA C 13 64.31 0.3 . 1 . . . . 82 V CA . 16059 1 360 . 1 1 103 103 VAL CB C 13 32.55 0.3 . 1 . . . . 82 V CB . 16059 1 361 . 1 1 103 103 VAL N N 15 115.5 0.05 . 1 . . . . 82 V N . 16059 1 362 . 1 1 104 104 MET H H 1 8.039 0.006 . 1 . . . . 83 M HN . 16059 1 363 . 1 1 104 104 MET C C 13 176 0.1 . 1 . . . . 83 M CO . 16059 1 364 . 1 1 104 104 MET CA C 13 53.66 0.3 . 1 . . . . 83 M CA . 16059 1 365 . 1 1 104 104 MET N N 15 112.5 0.05 . 1 . . . . 83 M N . 16059 1 366 . 1 1 105 105 THR H H 1 7.001 0.006 . 1 . . . . 84 T HN . 16059 1 367 . 1 1 105 105 THR C C 13 174.2 0.1 . 1 . . . . 84 T CO . 16059 1 368 . 1 1 105 105 THR CA C 13 61.33 0.3 . 1 . . . . 84 T CA . 16059 1 369 . 1 1 105 105 THR CB C 13 69.94 0.3 . 1 . . . . 84 T CB . 16059 1 370 . 1 1 105 105 THR N N 15 114.2 0.05 . 1 . . . . 84 T N . 16059 1 371 . 1 1 106 106 GLY H H 1 8.544 0.006 . 1 . . . . 85 G HN . 16059 1 372 . 1 1 106 106 GLY CA C 13 46.09 0.3 . 1 . . . . 85 G CA . 16059 1 373 . 1 1 106 106 GLY N N 15 113 0.05 . 1 . . . . 85 G N . 16059 1 374 . 1 1 111 111 ASN C C 13 174.5 0.1 . 1 . . . . 90 N CO . 16059 1 375 . 1 1 112 112 ALA H H 1 5.753 0.006 . 1 . . . . 91 A HN . 16059 1 376 . 1 1 112 112 ALA C C 13 176.4 0.1 . 1 . . . . 91 A CO . 16059 1 377 . 1 1 112 112 ALA CA C 13 51.6 0.3 . 1 . . . . 91 A CA . 16059 1 378 . 1 1 112 112 ALA CB C 13 18.3 0.3 . 1 . . . . 91 A CB . 16059 1 379 . 1 1 112 112 ALA N N 15 123.1 0.05 . 1 . . . . 91 A N . 16059 1 380 . 1 1 113 113 LYS H H 1 8.018 0.006 . 1 . . . . 92 K HN . 16059 1 381 . 1 1 113 113 LYS C C 13 177.4 0.1 . 1 . . . . 92 K CO . 16059 1 382 . 1 1 113 113 LYS CA C 13 56.26 0.3 . 1 . . . . 92 K CA . 16059 1 383 . 1 1 113 113 LYS CB C 13 32.15 0.3 . 1 . . . . 92 K CB . 16059 1 384 . 1 1 113 113 LYS N N 15 119.7 0.05 . 1 . . . . 92 K N . 16059 1 385 . 1 1 114 114 PHE H H 1 7.992 0.006 . 1 . . . . 93 F HN . 16059 1 386 . 1 1 114 114 PHE C C 13 172.5 0.1 . 1 . . . . 93 F CO . 16059 1 387 . 1 1 114 114 PHE CA C 13 55.76 0.3 . 1 . . . . 93 F CA . 16059 1 388 . 1 1 114 114 PHE CB C 13 40.13 0.3 . 1 . . . . 93 F CB . 16059 1 389 . 1 1 114 114 PHE N N 15 116.5 0.05 . 1 . . . . 93 F N . 16059 1 390 . 1 1 115 115 SER H H 1 9.044 0.006 . 1 . . . . 94 S HN . 16059 1 391 . 1 1 115 115 SER C C 13 172.7 0.1 . 1 . . . . 94 S CO . 16059 1 392 . 1 1 115 115 SER CA C 13 56.39 0.3 . 1 . . . . 94 S CA . 16059 1 393 . 1 1 115 115 SER CB C 13 65.62 0.3 . 1 . . . . 94 S CB . 16059 1 394 . 1 1 115 115 SER N N 15 115.1 0.05 . 1 . . . . 94 S N . 16059 1 395 . 1 1 116 116 TYR H H 1 8.669 0.006 . 1 . . . . 95 Y HN . 16059 1 396 . 1 1 116 116 TYR C C 13 174.3 0.1 . 1 . . . . 95 Y CO . 16059 1 397 . 1 1 116 116 TYR CA C 13 56.52 0.3 . 1 . . . . 95 Y CA . 16059 1 398 . 1 1 116 116 TYR CB C 13 41.35 0.3 . 1 . . . . 95 Y CB . 16059 1 399 . 1 1 116 116 TYR N N 15 122.9 0.05 . 1 . . . . 95 Y N . 16059 1 400 . 1 1 117 117 TYR H H 1 8.845 0.006 . 1 . . . . 96 Y HN . 16059 1 401 . 1 1 117 117 TYR C C 13 173.2 0.1 . 1 . . . . 96 Y CO . 16059 1 402 . 1 1 117 117 TYR CA C 13 56.85 0.3 . 1 . . . . 96 Y CA . 16059 1 403 . 1 1 117 117 TYR CB C 13 38.65 0.3 . 1 . . . . 96 Y CB . 16059 1 404 . 1 1 117 117 TYR N N 15 128.4 0.05 . 1 . . . . 96 Y N . 16059 1 405 . 1 1 118 118 TRP H H 1 8.483 0.006 . 1 . . . . 97 W HN . 16059 1 406 . 1 1 118 118 TRP C C 13 174.2 0.1 . 1 . . . . 97 W CO . 16059 1 407 . 1 1 118 118 TRP CA C 13 53.73 0.3 . 1 . . . . 97 W CA . 16059 1 408 . 1 1 118 118 TRP CB C 13 30.51 0.3 . 1 . . . . 97 W CB . 16059 1 409 . 1 1 118 118 TRP N N 15 127.5 0.05 . 1 . . . . 97 W N . 16059 1 410 . 1 1 119 119 PHE H H 1 8.456 0.006 . 1 . . . . 98 F HN . 16059 1 411 . 1 1 119 119 PHE C C 13 175.7 0.1 . 1 . . . . 98 F CO . 16059 1 412 . 1 1 119 119 PHE CA C 13 53.91 0.3 . 1 . . . . 98 F CA . 16059 1 413 . 1 1 119 119 PHE CB C 13 40.4 0.3 . 1 . . . . 98 F CB . 16059 1 414 . 1 1 119 119 PHE N N 15 120.3 0.05 . 1 . . . . 98 F N . 16059 1 415 . 1 1 120 120 ASP H H 1 8.784 0.006 . 1 . . . . 99 D HN . 16059 1 416 . 1 1 120 120 ASP C C 13 174.6 0.1 . 1 . . . . 99 D CO . 16059 1 417 . 1 1 120 120 ASP CA C 13 53.43 0.3 . 1 . . . . 99 D CA . 16059 1 418 . 1 1 120 120 ASP CB C 13 44.53 0.3 . 1 . . . . 99 D CB . 16059 1 419 . 1 1 120 120 ASP N N 15 122.7 0.05 . 1 . . . . 99 D N . 16059 1 420 . 1 1 121 121 TYR H H 1 10.26 0.006 . 1 . . . . 100 Y HN . 16059 1 421 . 1 1 121 121 TYR C C 13 173.2 0.1 . 1 . . . . 100 Y CO . 16059 1 422 . 1 1 121 121 TYR CA C 13 54.02 0.3 . 1 . . . . 100 Y CA . 16059 1 423 . 1 1 121 121 TYR CB C 13 40.08 0.3 . 1 . . . . 100 Y CB . 16059 1 424 . 1 1 121 121 TYR N N 15 125.1 0.05 . 1 . . . . 100 Y N . 16059 1 425 . 1 1 122 122 VAL H H 1 8.758 0.006 . 1 . . . . 101 V HN . 16059 1 426 . 1 1 122 122 VAL C C 13 174.4 0.1 . 1 . . . . 101 V CO . 16059 1 427 . 1 1 122 122 VAL CA C 13 61.15 0.3 . 1 . . . . 101 V CA . 16059 1 428 . 1 1 122 122 VAL CB C 13 31.52 0.3 . 1 . . . . 101 V CB . 16059 1 429 . 1 1 122 122 VAL N N 15 131.5 0.05 . 1 . . . . 101 V N . 16059 1 430 . 1 1 123 123 THR H H 1 8.046 0.006 . 1 . . . . 102 T HN . 16059 1 431 . 1 1 123 123 THR C C 13 175 0.1 . 1 . . . . 102 T CO . 16059 1 432 . 1 1 123 123 THR CA C 13 60.17 0.3 . 1 . . . . 102 T CA . 16059 1 433 . 1 1 123 123 THR CB C 13 68.51 0.3 . 1 . . . . 102 T CB . 16059 1 434 . 1 1 123 123 THR N N 15 117.4 0.05 . 1 . . . . 102 T N . 16059 1 435 . 1 1 124 124 ASP H H 1 8.571 0.006 . 1 . . . . 103 D HN . 16059 1 436 . 1 1 124 124 ASP C C 13 175.7 0.1 . 1 . . . . 103 D CO . 16059 1 437 . 1 1 124 124 ASP CA C 13 54.63 0.3 . 1 . . . . 103 D CA . 16059 1 438 . 1 1 124 124 ASP CB C 13 40.68 0.3 . 1 . . . . 103 D CB . 16059 1 439 . 1 1 124 124 ASP N N 15 118.5 0.05 . 1 . . . . 103 D N . 16059 1 440 . 1 1 125 125 ASP H H 1 7.749 0.006 . 1 . . . . 104 D HN . 16059 1 441 . 1 1 125 125 ASP CA C 13 51.14 0.3 . 1 . . . . 104 D CA . 16059 1 442 . 1 1 125 125 ASP CB C 13 42.08 0.3 . 1 . . . . 104 D CB . 16059 1 443 . 1 1 125 125 ASP N N 15 118.1 0.05 . 1 . . . . 104 D N . 16059 1 444 . 1 1 126 126 PRO C C 13 174.8 0.1 . 1 . . . . 105 P CO . 16059 1 445 . 1 1 126 126 PRO CA C 13 64.16 0.3 . 1 . . . . 105 P CA . 16059 1 446 . 1 1 126 126 PRO CB C 13 31.58 0.3 . 1 . . . . 105 P CB . 16059 1 447 . 1 1 127 127 LEU H H 1 8.187 0.006 . 1 . . . . 106 L HN . 16059 1 448 . 1 1 127 127 LEU C C 13 177.9 0.1 . 1 . . . . 106 L CO . 16059 1 449 . 1 1 127 127 LEU CA C 13 54.41 0.3 . 1 . . . . 106 L CA . 16059 1 450 . 1 1 127 127 LEU CB C 13 39.35 0.3 . 1 . . . . 106 L CB . 16059 1 451 . 1 1 127 127 LEU N N 15 116.6 0.05 . 1 . . . . 106 L N . 16059 1 452 . 1 1 128 128 LYS H H 1 7.115 0.006 . 1 . . . . 107 K HN . 16059 1 453 . 1 1 128 128 LYS C C 13 175.6 0.1 . 1 . . . . 107 K CO . 16059 1 454 . 1 1 128 128 LYS CA C 13 57.09 0.3 . 1 . . . . 107 K CA . 16059 1 455 . 1 1 128 128 LYS CB C 13 32.4 0.3 . 1 . . . . 107 K CB . 16059 1 456 . 1 1 128 128 LYS N N 15 123.1 0.05 . 1 . . . . 107 K N . 16059 1 457 . 1 1 129 129 LYS H H 1 8.745 0.006 . 1 . . . . 108 K HN . 16059 1 458 . 1 1 129 129 LYS C C 13 179.2 0.1 . 1 . . . . 108 K CO . 16059 1 459 . 1 1 129 129 LYS CA C 13 57.19 0.3 . 1 . . . . 108 K CA . 16059 1 460 . 1 1 129 129 LYS CB C 13 33.54 0.3 . 1 . . . . 108 K CB . 16059 1 461 . 1 1 129 129 LYS N N 15 125.9 0.05 . 1 . . . . 108 K N . 16059 1 462 . 1 1 130 130 TYR H H 1 8.255 0.006 . 1 . . . . 109 Y HN . 16059 1 463 . 1 1 130 130 TYR C C 13 176.4 0.1 . 1 . . . . 109 Y CO . 16059 1 464 . 1 1 130 130 TYR CA C 13 61.63 0.3 . 1 . . . . 109 Y CA . 16059 1 465 . 1 1 130 130 TYR CB C 13 37.15 0.3 . 1 . . . . 109 Y CB . 16059 1 466 . 1 1 130 130 TYR N N 15 125.7 0.05 . 1 . . . . 109 Y N . 16059 1 467 . 1 1 131 131 ILE H H 1 8.318 0.006 . 1 . . . . 110 I HN . 16059 1 468 . 1 1 131 131 ILE C C 13 176.5 0.1 . 1 . . . . 110 I CO . 16059 1 469 . 1 1 131 131 ILE CA C 13 63.71 0.3 . 1 . . . . 110 I CA . 16059 1 470 . 1 1 131 131 ILE CB C 13 37.52 0.3 . 1 . . . . 110 I CB . 16059 1 471 . 1 1 131 131 ILE N N 15 113.8 0.05 . 1 . . . . 110 I N . 16059 1 472 . 1 1 132 132 ASP H H 1 6.994 0.006 . 1 . . . . 111 D HN . 16059 1 473 . 1 1 132 132 ASP C C 13 178.7 0.1 . 1 . . . . 111 D CO . 16059 1 474 . 1 1 132 132 ASP CA C 13 56.75 0.3 . 1 . . . . 111 D CA . 16059 1 475 . 1 1 132 132 ASP CB C 13 40.22 0.3 . 1 . . . . 111 D CB . 16059 1 476 . 1 1 132 132 ASP N N 15 122.5 0.05 . 1 . . . . 111 D N . 16059 1 477 . 1 1 133 133 ARG H H 1 8.266 0.006 . 1 . . . . 112 R HN . 16059 1 478 . 1 1 133 133 ARG C C 13 179.7 0.1 . 1 . . . . 112 R CO . 16059 1 479 . 1 1 133 133 ARG CA C 13 60.56 0.3 . 1 . . . . 112 R CA . 16059 1 480 . 1 1 133 133 ARG CB C 13 26.8 0.3 . 1 . . . . 112 R CB . 16059 1 481 . 1 1 133 133 ARG N N 15 124.8 0.05 . 1 . . . . 112 R N . 16059 1 482 . 1 1 134 134 VAL H H 1 8.178 0.006 . 1 . . . . 113 V HN . 16059 1 483 . 1 1 134 134 VAL C C 13 178.9 0.1 . 1 . . . . 113 V CO . 16059 1 484 . 1 1 134 134 VAL CA C 13 65.61 0.3 . 1 . . . . 113 V CA . 16059 1 485 . 1 1 134 134 VAL CB C 13 30.2 0.3 . 1 . . . . 113 V CB . 16059 1 486 . 1 1 134 134 VAL N N 15 118.8 0.05 . 1 . . . . 113 V N . 16059 1 487 . 1 1 135 135 GLU H H 1 7.251 0.006 . 1 . . . . 114 E HN . 16059 1 488 . 1 1 135 135 GLU C C 13 178.9 0.1 . 1 . . . . 114 E CO . 16059 1 489 . 1 1 135 135 GLU CA C 13 59.16 0.3 . 1 . . . . 114 E CA . 16059 1 490 . 1 1 135 135 GLU CB C 13 27.77 0.3 . 1 . . . . 114 E CB . 16059 1 491 . 1 1 135 135 GLU N N 15 121 0.05 . 1 . . . . 114 E N . 16059 1 492 . 1 1 136 136 ASP H H 1 7.911 0.006 . 1 . . . . 115 D HN . 16059 1 493 . 1 1 136 136 ASP C C 13 180.2 0.1 . 1 . . . . 115 D CO . 16059 1 494 . 1 1 136 136 ASP CA C 13 57.69 0.3 . 1 . . . . 115 D CA . 16059 1 495 . 1 1 136 136 ASP CB C 13 39.31 0.3 . 1 . . . . 115 D CB . 16059 1 496 . 1 1 136 136 ASP N N 15 119.9 0.05 . 1 . . . . 115 D N . 16059 1 497 . 1 1 137 137 MET H H 1 7.863 0.006 . 1 . . . . 116 M HN . 16059 1 498 . 1 1 137 137 MET C C 13 177.2 0.1 . 1 . . . . 116 M CO . 16059 1 499 . 1 1 137 137 MET CA C 13 59.59 0.3 . 1 . . . . 116 M CA . 16059 1 500 . 1 1 137 137 MET CB C 13 32.5 0.3 . 1 . . . . 116 M CB . 16059 1 501 . 1 1 137 137 MET N N 15 123.6 0.05 . 1 . . . . 116 M N . 16059 1 502 . 1 1 138 138 LYS H H 1 8.371 0.006 . 1 . . . . 117 K HN . 16059 1 503 . 1 1 138 138 LYS C C 13 180.2 0.1 . 1 . . . . 117 K CO . 16059 1 504 . 1 1 138 138 LYS CA C 13 59.97 0.3 . 1 . . . . 117 K CA . 16059 1 505 . 1 1 138 138 LYS CB C 13 31.41 0.3 . 1 . . . . 117 K CB . 16059 1 506 . 1 1 138 138 LYS N N 15 119 0.05 . 1 . . . . 117 K N . 16059 1 507 . 1 1 139 139 ASN H H 1 8.886 0.006 . 1 . . . . 118 N HN . 16059 1 508 . 1 1 139 139 ASN CA C 13 55.68 0.3 . 1 . . . . 118 N CA . 16059 1 509 . 1 1 139 139 ASN CB C 13 37.5 0.3 . 1 . . . . 118 N CB . 16059 1 510 . 1 1 139 139 ASN N N 15 118.4 0.05 . 1 . . . . 118 N N . 16059 1 511 . 1 1 140 140 TYR H H 1 8.186 0.006 . 1 . . . . 119 Y HN . 16059 1 512 . 1 1 140 140 TYR C C 13 179.5 0.1 . 1 . . . . 119 Y CO . 16059 1 513 . 1 1 140 140 TYR CA C 13 63.03 0.3 . 1 . . . . 119 Y CA . 16059 1 514 . 1 1 140 140 TYR CB C 13 38.2 0.3 . 1 . . . . 119 Y CB . 16059 1 515 . 1 1 140 140 TYR N N 15 122.5 0.05 . 1 . . . . 119 Y N . 16059 1 516 . 1 1 141 141 ILE H H 1 8.24 0.006 . 1 . . . . 120 I HN . 16059 1 517 . 1 1 141 141 ILE C C 13 177.4 0.1 . 1 . . . . 120 I CO . 16059 1 518 . 1 1 141 141 ILE CA C 13 65.08 0.3 . 1 . . . . 120 I CA . 16059 1 519 . 1 1 141 141 ILE CB C 13 37.28 0.3 . 1 . . . . 120 I CB . 16059 1 520 . 1 1 141 141 ILE N N 15 119.5 0.05 . 1 . . . . 120 I N . 16059 1 521 . 1 1 142 142 THR H H 1 7.905 0.006 . 1 . . . . 121 T HN . 16059 1 522 . 1 1 142 142 THR C C 13 176.2 0.1 . 1 . . . . 121 T CO . 16059 1 523 . 1 1 142 142 THR CA C 13 66.05 0.3 . 1 . . . . 121 T CA . 16059 1 524 . 1 1 142 142 THR CB C 13 68.34 0.3 . 1 . . . . 121 T CB . 16059 1 525 . 1 1 142 142 THR N N 15 115.8 0.05 . 1 . . . . 121 T N . 16059 1 526 . 1 1 143 143 VAL H H 1 7.169 0.006 . 1 . . . . 122 V HN . 16059 1 527 . 1 1 143 143 VAL C C 13 175.2 0.1 . 1 . . . . 122 V CO . 16059 1 528 . 1 1 143 143 VAL CA C 13 62.81 0.3 . 1 . . . . 122 V CA . 16059 1 529 . 1 1 143 143 VAL CB C 13 31.45 0.3 . 1 . . . . 122 V CB . 16059 1 530 . 1 1 143 143 VAL N N 15 116.3 0.05 . 1 . . . . 122 V N . 16059 1 531 . 1 1 144 144 HIS H H 1 7.578 0.006 . 1 . . . . 123 H HN . 16059 1 532 . 1 1 144 144 HIS CA C 13 52.94 0.3 . 1 . . . . 123 H CA . 16059 1 533 . 1 1 144 144 HIS CB C 13 27.59 0.3 . 1 . . . . 123 H CB . 16059 1 534 . 1 1 144 144 HIS N N 15 118.2 0.05 . 1 . . . . 123 H N . 16059 1 535 . 1 1 145 145 PRO C C 13 179.4 0.1 . 1 . . . . 124 P CO . 16059 1 536 . 1 1 145 145 PRO CA C 13 65.23 0.3 . 1 . . . . 124 P CA . 16059 1 537 . 1 1 145 145 PRO CB C 13 30.72 0.3 . 1 . . . . 124 P CB . 16059 1 538 . 1 1 146 146 HIS H H 1 8.1 0.006 . 1 . . . . 125 H HN . 16059 1 539 . 1 1 146 146 HIS C C 13 178.7 0.1 . 1 . . . . 125 H CO . 16059 1 540 . 1 1 146 146 HIS CA C 13 57.76 0.3 . 1 . . . . 125 H CA . 16059 1 541 . 1 1 146 146 HIS CB C 13 28.37 0.3 . 1 . . . . 125 H CB . 16059 1 542 . 1 1 146 146 HIS N N 15 116.3 0.05 . 1 . . . . 125 H N . 16059 1 543 . 1 1 147 147 ILE H H 1 7.436 0.006 . 1 . . . . 126 I HN . 16059 1 544 . 1 1 147 147 ILE C C 13 176 0.1 . 1 . . . . 126 I CO . 16059 1 545 . 1 1 147 147 ILE CA C 13 64.02 0.3 . 1 . . . . 126 I CA . 16059 1 546 . 1 1 147 147 ILE CB C 13 36.4 0.3 . 1 . . . . 126 I CB . 16059 1 547 . 1 1 147 147 ILE N N 15 118 0.05 . 1 . . . . 126 I N . 16059 1 548 . 1 1 148 148 LEU H H 1 7.077 0.006 . 1 . . . . 127 L HN . 16059 1 549 . 1 1 148 148 LEU C C 13 178.1 0.1 . 1 . . . . 127 L CO . 16059 1 550 . 1 1 148 148 LEU CA C 13 54.52 0.3 . 1 . . . . 127 L CA . 16059 1 551 . 1 1 148 148 LEU CB C 13 40.68 0.3 . 1 . . . . 127 L CB . 16059 1 552 . 1 1 148 148 LEU N N 15 116.3 0.05 . 1 . . . . 127 L N . 16059 1 553 . 1 1 149 149 GLU H H 1 7.432 0.006 . 1 . . . . 128 E HN . 16059 1 554 . 1 1 149 149 GLU C C 13 175.8 0.1 . 1 . . . . 128 E CO . 16059 1 555 . 1 1 149 149 GLU CA C 13 54.5 0.3 . 1 . . . . 128 E CA . 16059 1 556 . 1 1 149 149 GLU CB C 13 29.9 0.3 . 1 . . . . 128 E CB . 16059 1 557 . 1 1 149 149 GLU N N 15 118.2 0.05 . 1 . . . . 128 E N . 16059 1 558 . 1 1 150 150 HIS H H 1 7.946 0.006 . 1 . . . . 129 H HN . 16059 1 559 . 1 1 150 150 HIS C C 13 176.2 0.1 . 1 . . . . 129 H CO . 16059 1 560 . 1 1 150 150 HIS CA C 13 59.75 0.3 . 1 . . . . 129 H CA . 16059 1 561 . 1 1 150 150 HIS CB C 13 30.68 0.3 . 1 . . . . 129 H CB . 16059 1 562 . 1 1 150 150 HIS N N 15 125.1 0.05 . 1 . . . . 129 H N . 16059 1 563 . 1 1 151 151 ALA H H 1 7.967 0.006 . 1 . . . . 130 A HN . 16059 1 564 . 1 1 151 151 ALA C C 13 178.3 0.1 . 1 . . . . 130 A CO . 16059 1 565 . 1 1 151 151 ALA CA C 13 53.97 0.3 . 1 . . . . 130 A CA . 16059 1 566 . 1 1 151 151 ALA CB C 13 18.53 0.3 . 1 . . . . 130 A CB . 16059 1 567 . 1 1 151 151 ALA N N 15 126.6 0.05 . 1 . . . . 130 A N . 16059 1 568 . 1 1 152 152 GLN H H 1 10.05 0.006 . 1 . . . . 131 Q HN . 16059 1 569 . 1 1 152 152 GLN C C 13 174.5 0.1 . 1 . . . . 131 Q CO . 16059 1 570 . 1 1 152 152 GLN CA C 13 56.88 0.3 . 1 . . . . 131 Q CA . 16059 1 571 . 1 1 152 152 GLN CB C 13 30.25 0.3 . 1 . . . . 131 Q CB . 16059 1 572 . 1 1 152 152 GLN N N 15 122.2 0.05 . 1 . . . . 131 Q N . 16059 1 573 . 1 1 153 153 VAL H H 1 8.088 0.006 . 1 . . . . 132 V HN . 16059 1 574 . 1 1 153 153 VAL C C 13 173.4 0.1 . 1 . . . . 132 V CO . 16059 1 575 . 1 1 153 153 VAL CA C 13 57.65 0.3 . 1 . . . . 132 V CA . 16059 1 576 . 1 1 153 153 VAL CB C 13 31.78 0.3 . 1 . . . . 132 V CB . 16059 1 577 . 1 1 153 153 VAL N N 15 119.5 0.05 . 1 . . . . 132 V N . 16059 1 578 . 1 1 154 154 LYS H H 1 8.273 0.006 . 1 . . . . 133 K HN . 16059 1 579 . 1 1 154 154 LYS C C 13 175 0.1 . 1 . . . . 133 K CO . 16059 1 580 . 1 1 154 154 LYS CA C 13 54.45 0.3 . 1 . . . . 133 K CA . 16059 1 581 . 1 1 154 154 LYS CB C 13 31.66 0.3 . 1 . . . . 133 K CB . 16059 1 582 . 1 1 154 154 LYS N N 15 129.7 0.05 . 1 . . . . 133 K N . 16059 1 583 . 1 1 155 155 ILE H H 1 7.987 0.006 . 1 . . . . 134 I HN . 16059 1 584 . 1 1 155 155 ILE C C 13 175.2 0.1 . 1 . . . . 134 I CO . 16059 1 585 . 1 1 155 155 ILE CA C 13 59.63 0.3 . 1 . . . . 134 I CA . 16059 1 586 . 1 1 155 155 ILE CB C 13 36.07 0.3 . 1 . . . . 134 I CB . 16059 1 587 . 1 1 155 155 ILE N N 15 128.4 0.05 . 1 . . . . 134 I N . 16059 1 588 . 1 1 156 156 ILE H H 1 8.93 0.006 . 1 . . . . 135 I HN . 16059 1 589 . 1 1 156 156 ILE CA C 13 58.13 0.3 . 1 . . . . 135 I CA . 16059 1 590 . 1 1 156 156 ILE CB C 13 38.91 0.3 . 1 . . . . 135 I CB . 16059 1 591 . 1 1 156 156 ILE N N 15 129.2 0.05 . 1 . . . . 135 I N . 16059 1 592 . 1 1 157 157 PRO C C 13 176.6 0.1 . 1 . . . . 136 P CO . 16059 1 593 . 1 1 157 157 PRO CA C 13 61.64 0.3 . 1 . . . . 136 P CA . 16059 1 594 . 1 1 157 157 PRO CB C 13 30.43 0.3 . 1 . . . . 136 P CB . 16059 1 595 . 1 1 158 158 LEU H H 1 8.851 0.006 . 1 . . . . 137 L HN . 16059 1 596 . 1 1 158 158 LEU C C 13 173.6 0.1 . 1 . . . . 137 L CO . 16059 1 597 . 1 1 158 158 LEU CA C 13 52.85 0.3 . 1 . . . . 137 L CA . 16059 1 598 . 1 1 158 158 LEU CB C 13 40.55 0.3 . 1 . . . . 137 L CB . 16059 1 599 . 1 1 158 158 LEU N N 15 129.3 0.05 . 1 . . . . 137 L N . 16059 1 600 . 1 1 159 159 ILE H H 1 7.74 0.006 . 1 . . . . 138 I HN . 16059 1 601 . 1 1 159 159 ILE CA C 13 55.79 0.3 . 1 . . . . 138 I CA . 16059 1 602 . 1 1 159 159 ILE CB C 13 36.05 0.3 . 1 . . . . 138 I CB . 16059 1 603 . 1 1 159 159 ILE N N 15 127.3 0.05 . 1 . . . . 138 I N . 16059 1 604 . 1 1 160 160 PRO C C 13 176 0.1 . 1 . . . . 139 P CO . 16059 1 605 . 1 1 160 160 PRO CA C 13 62.12 0.3 . 1 . . . . 139 P CA . 16059 1 606 . 1 1 161 161 VAL H H 1 8.657 0.006 . 1 . . . . 140 V HN . 16059 1 607 . 1 1 161 161 VAL C C 13 175.5 0.1 . 1 . . . . 140 V CO . 16059 1 608 . 1 1 161 161 VAL CA C 13 59.88 0.3 . 1 . . . . 140 V CA . 16059 1 609 . 1 1 161 161 VAL CB C 13 33.24 0.3 . 1 . . . . 140 V CB . 16059 1 610 . 1 1 161 161 VAL N N 15 117.6 0.05 . 1 . . . . 140 V N . 16059 1 611 . 1 1 162 162 GLU H H 1 8.531 0.006 . 1 . . . . 141 E HN . 16059 1 612 . 1 1 162 162 GLU C C 13 174.9 0.1 . 1 . . . . 141 E CO . 16059 1 613 . 1 1 162 162 GLU CA C 13 56.7 0.3 . 1 . . . . 141 E CA . 16059 1 614 . 1 1 162 162 GLU CB C 13 29.75 0.3 . 1 . . . . 141 E CB . 16059 1 615 . 1 1 162 162 GLU N N 15 126.1 0.05 . 1 . . . . 141 E N . 16059 1 616 . 1 1 163 163 ILE H H 1 8.737 0.006 . 1 . . . . 142 I HN . 16059 1 617 . 1 1 163 163 ILE C C 13 176.5 0.1 . 1 . . . . 142 I CO . 16059 1 618 . 1 1 163 163 ILE CA C 13 58.18 0.3 . 1 . . . . 142 I CA . 16059 1 619 . 1 1 163 163 ILE CB C 13 36.52 0.3 . 1 . . . . 142 I CB . 16059 1 620 . 1 1 163 163 ILE N N 15 127.9 0.05 . 1 . . . . 142 I N . 16059 1 621 . 1 1 164 164 ASN H H 1 9.109 0.006 . 1 . . . . 143 N HN . 16059 1 622 . 1 1 164 164 ASN C C 13 174.3 0.1 . 1 . . . . 143 N CO . 16059 1 623 . 1 1 164 164 ASN CA C 13 54.81 0.3 . 1 . . . . 143 N CA . 16059 1 624 . 1 1 164 164 ASN CB C 13 41.14 0.3 . 1 . . . . 143 N CB . 16059 1 625 . 1 1 164 164 ASN N N 15 122.7 0.05 . 1 . . . . 143 N N . 16059 1 626 . 1 1 165 165 ASN H H 1 6.895 0.006 . 1 . . . . 144 N HN . 16059 1 627 . 1 1 165 165 ASN C C 13 174.4 0.1 . 1 . . . . 144 N CO . 16059 1 628 . 1 1 165 165 ASN CA C 13 51.5 0.3 . 1 . . . . 144 N CA . 16059 1 629 . 1 1 165 165 ASN CB C 13 38.98 0.3 . 1 . . . . 144 N CB . 16059 1 630 . 1 1 165 165 ASN N N 15 112.7 0.05 . 1 . . . . 144 N N . 16059 1 631 . 1 1 166 166 ILE H H 1 8.012 0.006 . 1 . . . . 145 I HN . 16059 1 632 . 1 1 166 166 ILE C C 13 176 0.1 . 1 . . . . 145 I CO . 16059 1 633 . 1 1 166 166 ILE CA C 13 64.06 0.3 . 1 . . . . 145 I CA . 16059 1 634 . 1 1 166 166 ILE CB C 13 37.43 0.3 . 1 . . . . 145 I CB . 16059 1 635 . 1 1 166 166 ILE N N 15 118.4 0.05 . 1 . . . . 145 I N . 16059 1 636 . 1 1 167 167 THR H H 1 7.668 0.006 . 1 . . . . 146 T HN . 16059 1 637 . 1 1 167 167 THR C C 13 175.2 0.1 . 1 . . . . 146 T CO . 16059 1 638 . 1 1 167 167 THR CA C 13 66.93 0.3 . 1 . . . . 146 T CA . 16059 1 639 . 1 1 167 167 THR CB C 13 67.68 0.3 . 1 . . . . 146 T CB . 16059 1 640 . 1 1 167 167 THR N N 15 119.3 0.05 . 1 . . . . 146 T N . 16059 1 641 . 1 1 168 168 GLU H H 1 8.191 0.006 . 1 . . . . 147 E HN . 16059 1 642 . 1 1 168 168 GLU CA C 13 58.55 0.3 . 1 . . . . 147 E CA . 16059 1 643 . 1 1 168 168 GLU CB C 13 29.73 0.3 . 1 . . . . 147 E CB . 16059 1 644 . 1 1 168 168 GLU N N 15 120.8 0.05 . 1 . . . . 147 E N . 16059 1 645 . 1 1 175 175 ASP H H 1 8.31 0.006 . 1 . . . . 154 D HN . 16059 1 646 . 1 1 175 175 ASP C C 13 180.1 0.1 . 1 . . . . 154 D CO . 16059 1 647 . 1 1 175 175 ASP CA C 13 57.14 0.3 . 1 . . . . 154 D CA . 16059 1 648 . 1 1 175 175 ASP CB C 13 40.23 0.3 . 1 . . . . 154 D CB . 16059 1 649 . 1 1 175 175 ASP N N 15 118.9 0.05 . 1 . . . . 154 D N . 16059 1 650 . 1 1 176 176 VAL H H 1 8.414 0.006 . 1 . . . . 155 V HN . 16059 1 651 . 1 1 176 176 VAL CA C 13 65.7 0.3 . 1 . . . . 155 V CA . 16059 1 652 . 1 1 176 176 VAL CB C 13 30.32 0.3 . 1 . . . . 155 V CB . 16059 1 653 . 1 1 176 176 VAL N N 15 118 0.05 . 1 . . . . 155 V N . 16059 1 654 . 1 1 177 177 LEU H H 1 8.023 0.006 . 1 . . . . 156 L HN . 16059 1 655 . 1 1 177 177 LEU C C 13 182.55 0.1 . 1 . . . . 156 L CO . 16059 1 656 . 1 1 177 177 LEU CA C 13 56.91 0.3 . 1 . . . . 156 L CA . 16059 1 657 . 1 1 177 177 LEU N N 15 121.9 0.05 . 1 . . . . 156 L N . 16059 1 658 . 1 1 178 178 SER H H 1 7.88 0.006 . 1 . . . . 157 S HN . 16059 1 659 . 1 1 178 178 SER C C 13 175.1 0.1 . 1 . . . . 157 S CO . 16059 1 660 . 1 1 178 178 SER CA C 13 60.88 0.3 . 1 . . . . 157 S CA . 16059 1 661 . 1 1 178 178 SER CB C 13 62.58 0.3 . 1 . . . . 157 S CB . 16059 1 662 . 1 1 178 178 SER N N 15 116.3 0.05 . 1 . . . . 157 S N . 16059 1 663 . 1 1 179 179 LYS H H 1 7.264 0.006 . 1 . . . . 158 K HN . 16059 1 664 . 1 1 179 179 LYS C C 13 176.4 0.1 . 1 . . . . 158 K CO . 16059 1 665 . 1 1 179 179 LYS CA C 13 55.64 0.3 . 1 . . . . 158 K CA . 16059 1 666 . 1 1 179 179 LYS CB C 13 32.6 0.3 . 1 . . . . 158 K CB . 16059 1 667 . 1 1 179 179 LYS N N 15 120.5 0.05 . 1 . . . . 158 K N . 16059 1 668 . 1 1 180 180 GLY H H 1 7.58 0.006 . 1 . . . . 159 G HN . 16059 1 669 . 1 1 180 180 GLY C C 13 174.5 0.1 . 1 . . . . 159 G CO . 16059 1 670 . 1 1 180 180 GLY CA C 13 44.97 0.3 . 1 . . . . 159 G CA . 16059 1 671 . 1 1 180 180 GLY N N 15 106.1 0.05 . 1 . . . . 159 G N . 16059 1 672 . 1 1 181 181 PHE H H 1 7.455 0.006 . 1 . . . . 160 F HN . 16059 1 673 . 1 1 181 181 PHE C C 13 176 0.1 . 1 . . . . 160 F CO . 16059 1 674 . 1 1 181 181 PHE CA C 13 57.36 0.3 . 1 . . . . 160 F CA . 16059 1 675 . 1 1 181 181 PHE CB C 13 38.52 0.3 . 1 . . . . 160 F CB . 16059 1 676 . 1 1 181 181 PHE N N 15 119.6 0.05 . 1 . . . . 160 F N . 16059 1 677 . 1 1 182 182 GLU H H 1 9.019 0.006 . 1 . . . . 161 E HN . 16059 1 678 . 1 1 182 182 GLU C C 13 176.2 0.1 . 1 . . . . 161 E CO . 16059 1 679 . 1 1 182 182 GLU CA C 13 56.37 0.3 . 1 . . . . 161 E CA . 16059 1 680 . 1 1 182 182 GLU CB C 13 29.96 0.3 . 1 . . . . 161 E CB . 16059 1 681 . 1 1 182 182 GLU N N 15 117.1 0.05 . 1 . . . . 161 E N . 16059 1 682 . 1 1 183 183 GLY H H 1 7.116 0.006 . 1 . . . . 162 G HN . 16059 1 683 . 1 1 183 183 GLY C C 13 175 0.1 . 1 . . . . 162 G CO . 16059 1 684 . 1 1 183 183 GLY CA C 13 44.64 0.3 . 1 . . . . 162 G CA . 16059 1 685 . 1 1 183 183 GLY N N 15 103.8 0.05 . 1 . . . . 162 G N . 16059 1 686 . 1 1 184 184 VAL H H 1 8.408 0.006 . 1 . . . . 163 V HN . 16059 1 687 . 1 1 184 184 VAL C C 13 173.2 0.1 . 1 . . . . 163 V CO . 16059 1 688 . 1 1 184 184 VAL CA C 13 60.69 0.3 . 1 . . . . 163 V CA . 16059 1 689 . 1 1 184 184 VAL CB C 13 35.86 0.3 . 1 . . . . 163 V CB . 16059 1 690 . 1 1 184 184 VAL N N 15 120.2 0.05 . 1 . . . . 163 V N . 16059 1 691 . 1 1 185 185 MET H H 1 8.964 0.006 . 1 . . . . 164 M HN . 16059 1 692 . 1 1 185 185 MET C C 13 175.2 0.1 . 1 . . . . 164 M CO . 16059 1 693 . 1 1 185 185 MET CA C 13 51.56 0.3 . 1 . . . . 164 M CA . 16059 1 694 . 1 1 185 185 MET CB C 13 29.41 0.3 . 1 . . . . 164 M CB . 16059 1 695 . 1 1 185 185 MET N N 15 123.3 0.05 . 1 . . . . 164 M N . 16059 1 696 . 1 1 186 186 ILE H H 1 8.917 0.006 . 1 . . . . 165 I HN . 16059 1 697 . 1 1 186 186 ILE C C 13 175.4 0.1 . 1 . . . . 165 I CO . 16059 1 698 . 1 1 186 186 ILE CA C 13 60.23 0.3 . 1 . . . . 165 I CA . 16059 1 699 . 1 1 186 186 ILE CB C 13 40.99 0.3 . 1 . . . . 165 I CB . 16059 1 700 . 1 1 186 186 ILE N N 15 120.9 0.05 . 1 . . . . 165 I N . 16059 1 701 . 1 1 187 187 ARG H H 1 8.651 0.006 . 1 . . . . 166 R HN . 16059 1 702 . 1 1 187 187 ARG C C 13 176.5 0.1 . 1 . . . . 166 R CO . 16059 1 703 . 1 1 187 187 ARG CA C 13 54.15 0.3 . 1 . . . . 166 R CA . 16059 1 704 . 1 1 187 187 ARG CB C 13 33.9 0.3 . 1 . . . . 166 R CB . 16059 1 705 . 1 1 187 187 ARG N N 15 122.4 0.05 . 1 . . . . 166 R N . 16059 1 706 . 1 1 188 188 LYS H H 1 6.917 0.006 . 1 . . . . 167 K HN . 16059 1 707 . 1 1 188 188 LYS CA C 13 53.96 0.3 . 1 . . . . 167 K CA . 16059 1 708 . 1 1 188 188 LYS CB C 13 32.36 0.3 . 1 . . . . 167 K CB . 16059 1 709 . 1 1 188 188 LYS N N 15 121.6 0.05 . 1 . . . . 167 K N . 16059 1 710 . 1 1 189 189 PRO C C 13 175.4 0.1 . 1 . . . . 168 P CO . 16059 1 711 . 1 1 189 189 PRO CA C 13 66.38 0.3 . 1 . . . . 168 P CA . 16059 1 712 . 1 1 189 189 PRO CB C 13 31.47 0.3 . 1 . . . . 168 P CB . 16059 1 713 . 1 1 190 190 ASP H H 1 8.338 0.006 . 1 . . . . 169 D HN . 16059 1 714 . 1 1 190 190 ASP C C 13 176.8 0.1 . 1 . . . . 169 D CO . 16059 1 715 . 1 1 190 190 ASP CA C 13 51.9 0.3 . 1 . . . . 169 D CA . 16059 1 716 . 1 1 190 190 ASP CB C 13 38.58 0.3 . 1 . . . . 169 D CB . 16059 1 717 . 1 1 190 190 ASP N N 15 109.9 0.05 . 1 . . . . 169 D N . 16059 1 718 . 1 1 191 191 GLY H H 1 7.45 0.006 . 1 . . . . 170 G HN . 16059 1 719 . 1 1 191 191 GLY CA C 13 45.48 0.3 . 1 . . . . 170 G CA . 16059 1 720 . 1 1 191 191 GLY N N 15 105.7 0.05 . 1 . . . . 170 G N . 16059 1 721 . 1 1 192 192 LYS H H 1 8.15 0.006 . 1 . . . . 171 K HN . 16059 1 722 . 1 1 192 192 LYS C C 13 174.9 0.1 . 1 . . . . 171 K CO . 16059 1 723 . 1 1 192 192 LYS CA C 13 55.19 0.3 . 1 . . . . 171 K CA . 16059 1 724 . 1 1 192 192 LYS CB C 13 32.72 0.3 . 1 . . . . 171 K CB . 16059 1 725 . 1 1 192 192 LYS N N 15 122.7 0.05 . 1 . . . . 171 K N . 16059 1 726 . 1 1 193 193 TYR H H 1 9.068 0.006 . 1 . . . . 172 Y HN . 16059 1 727 . 1 1 193 193 TYR C C 13 173.6 0.1 . 1 . . . . 172 Y CO . 16059 1 728 . 1 1 193 193 TYR CA C 13 58.78 0.3 . 1 . . . . 172 Y CA . 16059 1 729 . 1 1 193 193 TYR CB C 13 36.44 0.3 . 1 . . . . 172 Y CB . 16059 1 730 . 1 1 193 193 TYR N N 15 125 0.05 . 1 . . . . 172 Y N . 16059 1 731 . 1 1 194 194 LYS H H 1 5.564 0.006 . 1 . . . . 173 K HN . 16059 1 732 . 1 1 194 194 LYS C C 13 173.4 0.1 . 1 . . . . 173 K CO . 16059 1 733 . 1 1 194 194 LYS CA C 13 54.96 0.3 . 1 . . . . 173 K CA . 16059 1 734 . 1 1 194 194 LYS CB C 13 34.57 0.3 . 1 . . . . 173 K CB . 16059 1 735 . 1 1 194 194 LYS N N 15 128.3 0.05 . 1 . . . . 173 K N . 16059 1 736 . 1 1 195 195 PHE H H 1 7.982 0.006 . 1 . . . . 174 F HN . 16059 1 737 . 1 1 195 195 PHE C C 13 175.7 0.1 . 1 . . . . 174 F CO . 16059 1 738 . 1 1 195 195 PHE CA C 13 52.43 0.3 . 1 . . . . 174 F CA . 16059 1 739 . 1 1 195 195 PHE CB C 13 34.97 0.3 . 1 . . . . 174 F CB . 16059 1 740 . 1 1 195 195 PHE N N 15 126 0.05 . 1 . . . . 174 F N . 16059 1 741 . 1 1 196 196 GLY H H 1 7.576 0.006 . 1 . . . . 175 G HN . 16059 1 742 . 1 1 196 196 GLY C C 13 173.8 0.1 . 1 . . . . 175 G CO . 16059 1 743 . 1 1 196 196 GLY CA C 13 43.51 0.3 . 1 . . . . 175 G CA . 16059 1 744 . 1 1 196 196 GLY N N 15 111.4 0.05 . 1 . . . . 175 G N . 16059 1 745 . 1 1 197 197 ARG H H 1 8.418 0.006 . 1 . . . . 176 R HN . 16059 1 746 . 1 1 197 197 ARG CA C 13 55.23 0.3 . 1 . . . . 176 R CA . 16059 1 747 . 1 1 197 197 ARG CB C 13 30.02 0.3 . 1 . . . . 176 R CB . 16059 1 748 . 1 1 197 197 ARG N N 15 120.4 0.05 . 1 . . . . 176 R N . 16059 1 749 . 1 1 198 198 SER H H 1 8.268 0.006 . 1 . . . . 177 S HN . 16059 1 750 . 1 1 198 198 SER C C 13 174.5 0.1 . 1 . . . . 177 S CO . 16059 1 751 . 1 1 198 198 SER CA C 13 58.31 0.3 . 1 . . . . 177 S CA . 16059 1 752 . 1 1 198 198 SER CB C 13 64.2 0.3 . 1 . . . . 177 S CB . 16059 1 753 . 1 1 198 198 SER N N 15 122.1 0.05 . 1 . . . . 177 S N . 16059 1 754 . 1 1 199 199 THR H H 1 9.342 0.006 . 1 . . . . 178 T HN . 16059 1 755 . 1 1 199 199 THR C C 13 177.3 0.1 . 1 . . . . 178 T CO . 16059 1 756 . 1 1 199 199 THR CA C 13 60.39 0.3 . 1 . . . . 178 T CA . 16059 1 757 . 1 1 199 199 THR CB C 13 70.17 0.3 . 1 . . . . 178 T CB . 16059 1 758 . 1 1 199 199 THR N N 15 117.9 0.05 . 1 . . . . 178 T N . 16059 1 759 . 1 1 200 200 LEU H H 1 8.745 0.006 . 1 . . . . 179 L HN . 16059 1 760 . 1 1 200 200 LEU C C 13 176 0.1 . 1 . . . . 179 L CO . 16059 1 761 . 1 1 200 200 LEU CA C 13 57.7 0.3 . 1 . . . . 179 L CA . 16059 1 762 . 1 1 200 200 LEU CB C 13 41.01 0.3 . 1 . . . . 179 L CB . 16059 1 763 . 1 1 200 200 LEU N N 15 124.4 0.05 . 1 . . . . 179 L N . 16059 1 764 . 1 1 201 201 LYS H H 1 8.131 0.006 . 1 . . . . 180 K HN . 16059 1 765 . 1 1 201 201 LYS C C 13 179.5 0.1 . 1 . . . . 180 K CO . 16059 1 766 . 1 1 201 201 LYS CA C 13 58.02 0.3 . 1 . . . . 180 K CA . 16059 1 767 . 1 1 201 201 LYS CB C 13 31.21 0.3 . 1 . . . . 180 K CB . 16059 1 768 . 1 1 201 201 LYS N N 15 118.7 0.05 . 1 . . . . 180 K N . 16059 1 769 . 1 1 202 202 GLU H H 1 7.667 0.006 . 1 . . . . 181 E HN . 16059 1 770 . 1 1 202 202 GLU C C 13 179.5 0.1 . 1 . . . . 181 E CO . 16059 1 771 . 1 1 202 202 GLU CA C 13 57.86 0.3 . 1 . . . . 181 E CA . 16059 1 772 . 1 1 202 202 GLU CB C 13 29.56 0.3 . 1 . . . . 181 E CB . 16059 1 773 . 1 1 202 202 GLU N N 15 116.8 0.05 . 1 . . . . 181 E N . 16059 1 774 . 1 1 203 203 GLY H H 1 7.147 0.006 . 1 . . . . 182 G HN . 16059 1 775 . 1 1 203 203 GLY C C 13 173.6 0.1 . 1 . . . . 182 G CO . 16059 1 776 . 1 1 203 203 GLY CA C 13 45.66 0.3 . 1 . . . . 182 G CA . 16059 1 777 . 1 1 203 203 GLY N N 15 101.4 0.05 . 1 . . . . 182 G N . 16059 1 778 . 1 1 204 204 ILE H H 1 6.667 0.006 . 1 . . . . 183 I HN . 16059 1 779 . 1 1 204 204 ILE C C 13 176.5 0.1 . 1 . . . . 183 I CO . 16059 1 780 . 1 1 204 204 ILE CA C 13 64.78 0.3 . 1 . . . . 183 I CA . 16059 1 781 . 1 1 204 204 ILE CB C 13 38.12 0.3 . 1 . . . . 183 I CB . 16059 1 782 . 1 1 204 204 ILE N N 15 119.3 0.05 . 1 . . . . 183 I N . 16059 1 783 . 1 1 205 205 LEU H H 1 6.93 0.006 . 1 . . . . 184 L HN . 16059 1 784 . 1 1 205 205 LEU C C 13 172.9 0.1 . 1 . . . . 184 L CO . 16059 1 785 . 1 1 205 205 LEU CA C 13 54.66 0.3 . 1 . . . . 184 L CA . 16059 1 786 . 1 1 205 205 LEU CB C 13 42.97 0.3 . 1 . . . . 184 L CB . 16059 1 787 . 1 1 205 205 LEU N N 15 116.2 0.05 . 1 . . . . 184 L N . 16059 1 788 . 1 1 206 206 LEU H H 1 9.25 0.006 . 1 . . . . 185 L HN . 16059 1 789 . 1 1 206 206 LEU C C 13 174.8 0.1 . 1 . . . . 185 L CO . 16059 1 790 . 1 1 206 206 LEU CA C 13 52.11 0.3 . 1 . . . . 185 L CA . 16059 1 791 . 1 1 206 206 LEU CB C 13 44.36 0.3 . 1 . . . . 185 L CB . 16059 1 792 . 1 1 206 206 LEU N N 15 127.8 0.05 . 1 . . . . 185 L N . 16059 1 793 . 1 1 207 207 LYS H H 1 8.71 0.006 . 1 . . . . 186 K HN . 16059 1 794 . 1 1 207 207 LYS CA C 13 54.24 0.3 . 1 . . . . 186 K CA . 16059 1 795 . 1 1 207 207 LYS CB C 13 33.92 0.3 . 1 . . . . 186 K CB . 16059 1 796 . 1 1 207 207 LYS N N 15 122 0.05 . 1 . . . . 186 K N . 16059 1 797 . 1 1 211 211 PHE C C 13 176.2 0.1 . 1 . . . . 190 F CO . 16059 1 798 . 1 1 212 212 LYS H H 1 7.855 0.006 . 1 . . . . 191 K HN . 16059 1 799 . 1 1 212 212 LYS C C 13 174.6 0.1 . 1 . . . . 191 K CO . 16059 1 800 . 1 1 212 212 LYS CA C 13 54.46 0.3 . 1 . . . . 191 K CA . 16059 1 801 . 1 1 212 212 LYS N N 15 118.1 0.05 . 1 . . . . 191 K N . 16059 1 802 . 1 1 213 213 ASP H H 1 7.906 0.006 . 1 . . . . 192 D HN . 16059 1 803 . 1 1 213 213 ASP C C 13 175.5 0.1 . 1 . . . . 192 D CO . 16059 1 804 . 1 1 213 213 ASP CA C 13 53.63 0.3 . 1 . . . . 192 D CA . 16059 1 805 . 1 1 213 213 ASP CB C 13 42.94 0.3 . 1 . . . . 192 D CB . 16059 1 806 . 1 1 213 213 ASP N N 15 119.2 0.05 . 1 . . . . 192 D N . 16059 1 807 . 1 1 214 214 ALA H H 1 8.336 0.006 . 1 . . . . 193 A HN . 16059 1 808 . 1 1 214 214 ALA C C 13 174.4 0.1 . 1 . . . . 193 A CO . 16059 1 809 . 1 1 214 214 ALA CA C 13 51.11 0.3 . 1 . . . . 193 A CA . 16059 1 810 . 1 1 214 214 ALA CB C 13 22.44 0.3 . 1 . . . . 193 A CB . 16059 1 811 . 1 1 214 214 ALA N N 15 123.6 0.05 . 1 . . . . 193 A N . 16059 1 812 . 1 1 215 215 GLU H H 1 7.805 0.006 . 1 . . . . 194 E HN . 16059 1 813 . 1 1 215 215 GLU C C 13 175.8 0.1 . 1 . . . . 194 E CO . 16059 1 814 . 1 1 215 215 GLU CA C 13 54.23 0.3 . 1 . . . . 194 E CA . 16059 1 815 . 1 1 215 215 GLU CB C 13 32.84 0.3 . 1 . . . . 194 E CB . 16059 1 816 . 1 1 215 215 GLU N N 15 117.3 0.05 . 1 . . . . 194 E N . 16059 1 817 . 1 1 216 216 ALA H H 1 8.893 0.006 . 1 . . . . 195 A HN . 16059 1 818 . 1 1 216 216 ALA C C 13 175.4 0.1 . 1 . . . . 195 A CO . 16059 1 819 . 1 1 216 216 ALA CA C 13 51.11 0.3 . 1 . . . . 195 A CA . 16059 1 820 . 1 1 216 216 ALA CB C 13 23.84 0.3 . 1 . . . . 195 A CB . 16059 1 821 . 1 1 216 216 ALA N N 15 121.9 0.05 . 1 . . . . 195 A N . 16059 1 822 . 1 1 217 217 THR H H 1 8.1 0.006 . 1 . . . . 196 T HN . 16059 1 823 . 1 1 217 217 THR C C 13 175.1 0.1 . 1 . . . . 196 T CO . 16059 1 824 . 1 1 217 217 THR CA C 13 62.51 0.3 . 1 . . . . 196 T CA . 16059 1 825 . 1 1 217 217 THR CB C 13 70.39 0.3 . 1 . . . . 196 T CB . 16059 1 826 . 1 1 217 217 THR N N 15 116.9 0.05 . 1 . . . . 196 T N . 16059 1 827 . 1 1 218 218 ILE H H 1 9.032 0.006 . 1 . . . . 197 I HN . 16059 1 828 . 1 1 218 218 ILE C C 13 176.8 0.1 . 1 . . . . 197 I CO . 16059 1 829 . 1 1 218 218 ILE CA C 13 64.01 0.3 . 1 . . . . 197 I CA . 16059 1 830 . 1 1 218 218 ILE CB C 13 37.09 0.3 . 1 . . . . 197 I CB . 16059 1 831 . 1 1 218 218 ILE N N 15 125.2 0.05 . 1 . . . . 197 I N . 16059 1 832 . 1 1 219 219 ILE H H 1 9.412 0.006 . 1 . . . . 198 I HN . 16059 1 833 . 1 1 219 219 ILE C C 13 175.9 0.1 . 1 . . . . 198 I CO . 16059 1 834 . 1 1 219 219 ILE CA C 13 61.09 0.3 . 1 . . . . 198 I CA . 16059 1 835 . 1 1 219 219 ILE CB C 13 38.71 0.3 . 1 . . . . 198 I CB . 16059 1 836 . 1 1 219 219 ILE N N 15 126.2 0.05 . 1 . . . . 198 I N . 16059 1 837 . 1 1 220 220 SER H H 1 7.938 0.006 . 1 . . . . 199 S HN . 16059 1 838 . 1 1 220 220 SER C C 13 172.2 0.1 . 1 . . . . 199 S CO . 16059 1 839 . 1 1 220 220 SER CA C 13 57.47 0.3 . 1 . . . . 199 S CA . 16059 1 840 . 1 1 220 220 SER CB C 13 62.9 0.3 . 1 . . . . 199 S CB . 16059 1 841 . 1 1 220 220 SER N N 15 113.8 0.05 . 1 . . . . 199 S N . 16059 1 842 . 1 1 221 221 MET H H 1 8.349 0.006 . 1 . . . . 200 M HN . 16059 1 843 . 1 1 221 221 MET C C 13 174.5 0.1 . 1 . . . . 200 M CO . 16059 1 844 . 1 1 221 221 MET CA C 13 55.55 0.3 . 1 . . . . 200 M CA . 16059 1 845 . 1 1 221 221 MET CB C 13 36.67 0.3 . 1 . . . . 200 M CB . 16059 1 846 . 1 1 221 221 MET N N 15 116.5 0.05 . 1 . . . . 200 M N . 16059 1 847 . 1 1 222 222 THR H H 1 8.829 0.006 . 1 . . . . 201 T HN . 16059 1 848 . 1 1 222 222 THR C C 13 174.3 0.1 . 1 . . . . 201 T CO . 16059 1 849 . 1 1 222 222 THR CA C 13 61.54 0.3 . 1 . . . . 201 T CA . 16059 1 850 . 1 1 222 222 THR CB C 13 67.15 0.3 . 1 . . . . 201 T CB . 16059 1 851 . 1 1 222 222 THR N N 15 118.7 0.05 . 1 . . . . 201 T N . 16059 1 852 . 1 1 223 223 ALA H H 1 8.887 0.006 . 1 . . . . 202 A HN . 16059 1 853 . 1 1 223 223 ALA C C 13 176.7 0.1 . 1 . . . . 202 A CO . 16059 1 854 . 1 1 223 223 ALA CA C 13 51.94 0.3 . 1 . . . . 202 A CA . 16059 1 855 . 1 1 223 223 ALA CB C 13 17.4 0.3 . 1 . . . . 202 A CB . 16059 1 856 . 1 1 223 223 ALA N N 15 132.1 0.05 . 1 . . . . 202 A N . 16059 1 857 . 1 1 224 224 LEU H H 1 7.745 0.006 . 1 . . . . 203 L HN . 16059 1 858 . 1 1 224 224 LEU C C 13 176.5 0.1 . 1 . . . . 203 L CO . 16059 1 859 . 1 1 224 224 LEU CA C 13 55.64 0.3 . 1 . . . . 203 L CA . 16059 1 860 . 1 1 224 224 LEU CB C 13 41.75 0.3 . 1 . . . . 203 L CB . 16059 1 861 . 1 1 224 224 LEU N N 15 123.2 0.05 . 1 . . . . 203 L N . 16059 1 862 . 1 1 225 225 PHE H H 1 8.361 0.006 . 1 . . . . 204 F HN . 16059 1 863 . 1 1 225 225 PHE CA C 13 57.35 0.3 . 1 . . . . 204 F CA . 16059 1 864 . 1 1 225 225 PHE CB C 13 38.39 0.3 . 1 . . . . 204 F CB . 16059 1 865 . 1 1 225 225 PHE N N 15 124.6 0.05 . 1 . . . . 204 F N . 16059 1 866 . 1 1 226 226 LYS H H 1 8.032 0.006 . 1 . . . . 205 K HN . 16059 1 867 . 1 1 226 226 LYS C C 13 175.7 0.1 . 1 . . . . 205 K CO . 16059 1 868 . 1 1 226 226 LYS CA C 13 55.81 0.3 . 1 . . . . 205 K CA . 16059 1 869 . 1 1 226 226 LYS CB C 13 32.28 0.3 . 1 . . . . 205 K CB . 16059 1 870 . 1 1 226 226 LYS N N 15 123.9 0.05 . 1 . . . . 205 K N . 16059 1 871 . 1 1 227 227 ASN H H 1 8.218 0.006 . 1 . . . . 206 N HN . 16059 1 872 . 1 1 227 227 ASN C C 13 175.6 0.1 . 1 . . . . 206 N CO . 16059 1 873 . 1 1 227 227 ASN CA C 13 53.08 0.3 . 1 . . . . 206 N CA . 16059 1 874 . 1 1 227 227 ASN CB C 13 38.39 0.3 . 1 . . . . 206 N CB . 16059 1 875 . 1 1 227 227 ASN N N 15 120.2 0.05 . 1 . . . . 206 N N . 16059 1 876 . 1 1 228 228 THR H H 1 8.007 0.006 . 1 . . . . 207 T HN . 16059 1 877 . 1 1 228 228 THR CA C 13 61.8 0.3 . 1 . . . . 207 T CA . 16059 1 878 . 1 1 228 228 THR CB C 13 69.28 0.3 . 1 . . . . 207 T CB . 16059 1 879 . 1 1 228 228 THR N N 15 114.6 0.05 . 1 . . . . 207 T N . 16059 1 880 . 1 1 229 229 ASN H H 1 8.367 0.006 . 1 . . . . 208 N HN . 16059 1 881 . 1 1 229 229 ASN C C 13 175.5 0.1 . 1 . . . . 208 N CO . 16059 1 882 . 1 1 229 229 ASN CA C 13 53.12 0.3 . 1 . . . . 208 N CA . 16059 1 883 . 1 1 229 229 ASN CB C 13 38.38 0.3 . 1 . . . . 208 N CB . 16059 1 884 . 1 1 229 229 ASN N N 15 121.4 0.05 . 1 . . . . 208 N N . 16059 1 885 . 1 1 230 230 THR H H 1 7.98 0.006 . 1 . . . . 209 T HN . 16059 1 886 . 1 1 230 230 THR C C 13 174.7 0.1 . 1 . . . . 209 T CO . 16059 1 887 . 1 1 230 230 THR CA C 13 61.93 0.3 . 1 . . . . 209 T CA . 16059 1 888 . 1 1 230 230 THR CB C 13 69.32 0.3 . 1 . . . . 209 T CB . 16059 1 889 . 1 1 230 230 THR N N 15 114.8 0.05 . 1 . . . . 209 T N . 16059 1 890 . 1 1 231 231 LYS H H 1 8.237 0.006 . 1 . . . . 210 K HN . 16059 1 891 . 1 1 231 231 LYS C C 13 176.9 0.1 . 1 . . . . 210 K CO . 16059 1 892 . 1 1 231 231 LYS CA C 13 56.25 0.3 . 1 . . . . 210 K CA . 16059 1 893 . 1 1 231 231 LYS CB C 13 31.99 0.3 . 1 . . . . 210 K CB . 16059 1 894 . 1 1 231 231 LYS N N 15 123.7 0.05 . 1 . . . . 210 K N . 16059 1 895 . 1 1 232 232 THR H H 1 7.966 0.006 . 1 . . . . 211 T HN . 16059 1 896 . 1 1 232 232 THR C C 13 174.6 0.1 . 1 . . . . 211 T CO . 16059 1 897 . 1 1 232 232 THR CA C 13 61.57 0.3 . 1 . . . . 211 T CA . 16059 1 898 . 1 1 232 232 THR CB C 13 69.52 0.3 . 1 . . . . 211 T CB . 16059 1 899 . 1 1 232 232 THR N N 15 115.3 0.05 . 1 . . . . 211 T N . 16059 1 900 . 1 1 233 233 LYS H H 1 8.192 0.006 . 1 . . . . 212 K HN . 16059 1 901 . 1 1 233 233 LYS C C 13 176.3 0.1 . 1 . . . . 212 K CO . 16059 1 902 . 1 1 233 233 LYS CA C 13 56.27 0.3 . 1 . . . . 212 K CA . 16059 1 903 . 1 1 233 233 LYS CB C 13 32.14 0.3 . 1 . . . . 212 K CB . 16059 1 904 . 1 1 233 233 LYS N N 15 123.3 0.05 . 1 . . . . 212 K N . 16059 1 905 . 1 1 234 234 ASP H H 1 8.119 0.006 . 1 . . . . 213 D HN . 16059 1 906 . 1 1 234 234 ASP C C 13 179.2 0.1 . 1 . . . . 213 D CO . 16059 1 907 . 1 1 234 234 ASP CA C 13 54.15 0.3 . 1 . . . . 213 D CA . 16059 1 908 . 1 1 234 234 ASP CB C 13 40.8 0.3 . 1 . . . . 213 D CB . 16059 1 909 . 1 1 234 234 ASP N N 15 121 0.05 . 1 . . . . 213 D N . 16059 1 910 . 1 1 235 235 ASN H H 1 8.131 0.006 . 1 . . . . 214 N HN . 16059 1 911 . 1 1 235 235 ASN C C 13 175.2 0.1 . 1 . . . . 214 N CO . 16059 1 912 . 1 1 235 235 ASN CA C 13 53.14 0.3 . 1 . . . . 214 N CA . 16059 1 913 . 1 1 235 235 ASN CB C 13 38.35 0.3 . 1 . . . . 214 N CB . 16059 1 914 . 1 1 235 235 ASN N N 15 118.8 0.05 . 1 . . . . 214 N N . 16059 1 915 . 1 1 236 236 PHE H H 1 8.131 0.006 . 1 . . . . 215 F HN . 16059 1 916 . 1 1 236 236 PHE C C 13 176.4 0.1 . 1 . . . . 215 F CO . 16059 1 917 . 1 1 236 236 PHE CA C 13 58 0.3 . 1 . . . . 215 F CA . 16059 1 918 . 1 1 236 236 PHE CB C 13 46.35 0.3 . 1 . . . . 215 F CB . 16059 1 919 . 1 1 236 236 PHE N N 15 120.4 0.05 . 1 . . . . 215 F N . 16059 1 920 . 1 1 237 237 GLY H H 1 8.139 0.006 . 1 . . . . 216 G HN . 16059 1 921 . 1 1 237 237 GLY C C 13 174.2 0.1 . 1 . . . . 216 G CO . 16059 1 922 . 1 1 237 237 GLY CA C 13 45.15 0.3 . 1 . . . . 216 G CA . 16059 1 923 . 1 1 237 237 GLY N N 15 110 0.05 . 1 . . . . 216 G N . 16059 1 924 . 1 1 238 238 TYR H H 1 7.903 0.006 . 1 . . . . 217 Y HN . 16059 1 925 . 1 1 238 238 TYR C C 13 176.2 0.1 . 1 . . . . 217 Y CO . 16059 1 926 . 1 1 238 238 TYR CA C 13 58.01 0.3 . 1 . . . . 217 Y CA . 16059 1 927 . 1 1 238 238 TYR CB C 13 38.05 0.3 . 1 . . . . 217 Y CB . 16059 1 928 . 1 1 238 238 TYR N N 15 120.6 0.05 . 1 . . . . 217 Y N . 16059 1 929 . 1 1 239 239 SER H H 1 8.122 0.006 . 1 . . . . 218 S HN . 16059 1 930 . 1 1 239 239 SER C C 13 174.5 0.1 . 1 . . . . 218 S CO . 16059 1 931 . 1 1 239 239 SER CA C 13 58.24 0.3 . 1 . . . . 218 S CA . 16059 1 932 . 1 1 239 239 SER CB C 13 63.37 0.3 . 1 . . . . 218 S CB . 16059 1 933 . 1 1 239 239 SER N N 15 117.5 0.05 . 1 . . . . 218 S N . 16059 1 934 . 1 1 240 240 LYS H H 1 8.117 0.006 . 1 . . . . 219 K HN . 16059 1 935 . 1 1 240 240 LYS C C 13 176.7 0.1 . 1 . . . . 219 K CO . 16059 1 936 . 1 1 240 240 LYS CA C 13 56.26 0.3 . 1 . . . . 219 K CA . 16059 1 937 . 1 1 240 240 LYS CB C 13 31.91 0.3 . 1 . . . . 219 K CB . 16059 1 938 . 1 1 240 240 LYS N N 15 123.4 0.05 . 1 . . . . 219 K N . 16059 1 939 . 1 1 241 241 ARG H H 1 8.128 0.006 . 1 . . . . 220 R HN . 16059 1 940 . 1 1 241 241 ARG C C 13 176.5 0.1 . 1 . . . . 220 R CO . 16059 1 941 . 1 1 241 241 ARG CA C 13 56.08 0.3 . 1 . . . . 220 R CA . 16059 1 942 . 1 1 241 241 ARG CB C 13 29.91 0.3 . 1 . . . . 220 R CB . 16059 1 943 . 1 1 241 241 ARG N N 15 121.7 0.05 . 1 . . . . 220 R N . 16059 1 944 . 1 1 242 242 SER H H 1 8.222 0.006 . 1 . . . . 221 S HN . 16059 1 945 . 1 1 242 242 SER C C 13 174.9 0.1 . 1 . . . . 221 S CO . 16059 1 946 . 1 1 242 242 SER CA C 13 58.18 0.3 . 1 . . . . 221 S CA . 16059 1 947 . 1 1 242 242 SER CB C 13 63.38 0.3 . 1 . . . . 221 S CB . 16059 1 948 . 1 1 242 242 SER N N 15 118.8 0.05 . 1 . . . . 221 S N . 16059 1 949 . 1 1 243 243 THR H H 1 8.032 0.006 . 1 . . . . 222 T HN . 16059 1 950 . 1 1 243 243 THR CA C 13 61.52 0.3 . 1 . . . . 222 T CA . 16059 1 951 . 1 1 243 243 THR CB C 13 69.23 0.3 . 1 . . . . 222 T CB . 16059 1 952 . 1 1 243 243 THR N N 15 115.7 0.05 . 1 . . . . 222 T N . 16059 1 953 . 1 1 245 245 LYS C C 13 176.6 0.1 . 1 . . . . 224 K CO . 16059 1 954 . 1 1 245 245 LYS CA C 13 56.15 0.3 . 1 . . . . 224 K CA . 16059 1 955 . 1 1 245 245 LYS CB C 13 32.13 0.3 . 1 . . . . 224 K CB . 16059 1 956 . 1 1 246 246 SER H H 1 8.294 0.006 . 1 . . . . 225 S HN . 16059 1 957 . 1 1 246 246 SER C C 13 175.1 0.1 . 1 . . . . 225 S CO . 16059 1 958 . 1 1 246 246 SER CA C 13 58.37 0.3 . 1 . . . . 225 S CA . 16059 1 959 . 1 1 246 246 SER CB C 13 63.39 0.3 . 1 . . . . 225 S CB . 16059 1 960 . 1 1 246 246 SER N N 15 117.3 0.05 . 1 . . . . 225 S N . 16059 1 961 . 1 1 247 247 GLY H H 1 8.286 0.006 . 1 . . . . 226 G HN . 16059 1 962 . 1 1 247 247 GLY C C 13 173.8 0.1 . 1 . . . . 226 G CO . 16059 1 963 . 1 1 247 247 GLY CA C 13 44.91 0.3 . 1 . . . . 226 G CA . 16059 1 964 . 1 1 247 247 GLY N N 15 111.1 0.05 . 1 . . . . 226 G N . 16059 1 965 . 1 1 248 248 LYS H H 1 7.999 0.006 . 1 . . . . 227 K HN . 16059 1 966 . 1 1 248 248 LYS C C 13 176.6 0.1 . 1 . . . . 227 K CO . 16059 1 967 . 1 1 248 248 LYS CA C 13 55.72 0.3 . 1 . . . . 227 K CA . 16059 1 968 . 1 1 248 248 LYS CB C 13 32.27 0.3 . 1 . . . . 227 K CB . 16059 1 969 . 1 1 248 248 LYS N N 15 121.6 0.05 . 1 . . . . 227 K N . 16059 1 970 . 1 1 249 249 VAL H H 1 8.143 0.006 . 1 . . . . 228 V HN . 16059 1 971 . 1 1 249 249 VAL C C 13 176.1 0.1 . 1 . . . . 228 V CO . 16059 1 972 . 1 1 249 249 VAL CA C 13 62.12 0.3 . 1 . . . . 228 V CA . 16059 1 973 . 1 1 249 249 VAL CB C 13 31.96 0.3 . 1 . . . . 228 V CB . 16059 1 974 . 1 1 249 249 VAL N N 15 122.7 0.05 . 1 . . . . 228 V N . 16059 1 975 . 1 1 250 250 GLU H H 1 8.398 0.006 . 1 . . . . 229 E HN . 16059 1 976 . 1 1 250 250 GLU CA C 13 56.98 0.3 . 1 . . . . 229 E CA . 16059 1 977 . 1 1 250 250 GLU CB C 13 30.42 0.3 . 1 . . . . 229 E CB . 16059 1 978 . 1 1 250 250 GLU N N 15 125.2 0.05 . 1 . . . . 229 E N . 16059 1 979 . 1 1 251 251 GLU H H 1 8.249 0.006 . 1 . . . . 230 E HN . 16059 1 980 . 1 1 251 251 GLU C C 13 176 0.1 . 1 . . . . 230 E CO . 16059 1 981 . 1 1 251 251 GLU CA C 13 55.82 0.3 . 1 . . . . 230 E CA . 16059 1 982 . 1 1 251 251 GLU CB C 13 29.81 0.3 . 1 . . . . 230 E CB . 16059 1 983 . 1 1 251 251 GLU N N 15 123.8 0.05 . 1 . . . . 230 E N . 16059 1 984 . 1 1 252 252 ASP H H 1 8.196 0.006 . 1 . . . . 231 D HN . 16059 1 985 . 1 1 252 252 ASP CA C 13 54.16 0.3 . 1 . . . . 231 D CA . 16059 1 986 . 1 1 252 252 ASP CB C 13 41.41 0.3 . 1 . . . . 231 D CB . 16059 1 987 . 1 1 252 252 ASP N N 15 122.5 0.05 . 1 . . . . 231 D N . 16059 1 988 . 1 1 253 253 VAL H H 1 7.495 0.006 . 1 . . . . 232 V HN . 16059 1 989 . 1 1 253 253 VAL C C 13 173.6 0.1 . 1 . . . . 232 V CO . 16059 1 990 . 1 1 253 253 VAL CA C 13 58.11 0.3 . 1 . . . . 232 V CA . 16059 1 991 . 1 1 253 253 VAL CB C 13 34.66 0.3 . 1 . . . . 232 V CB . 16059 1 992 . 1 1 253 253 VAL N N 15 109.5 0.05 . 1 . . . . 232 V N . 16059 1 993 . 1 1 254 254 MET H H 1 7.876 0.006 . 1 . . . . 233 M HN . 16059 1 994 . 1 1 254 254 MET C C 13 174.1 0.1 . 1 . . . . 233 M CO . 16059 1 995 . 1 1 254 254 MET CA C 13 57.36 0.3 . 1 . . . . 233 M CA . 16059 1 996 . 1 1 254 254 MET CB C 13 30.32 0.3 . 1 . . . . 233 M CB . 16059 1 997 . 1 1 254 254 MET N N 15 121.4 0.05 . 1 . . . . 233 M N . 16059 1 998 . 1 1 255 255 GLY H H 1 9.511 0.006 . 1 . . . . 234 G HN . 16059 1 999 . 1 1 255 255 GLY C C 13 173.6 0.1 . 1 . . . . 234 G CO . 16059 1 1000 . 1 1 255 255 GLY CA C 13 45.3 0.3 . 1 . . . . 234 G CA . 16059 1 1001 . 1 1 255 255 GLY N N 15 116.9 0.05 . 1 . . . . 234 G N . 16059 1 1002 . 1 1 256 256 SER H H 1 7.843 0.006 . 1 . . . . 235 S HN . 16059 1 1003 . 1 1 256 256 SER C C 13 173 0.1 . 1 . . . . 235 S CO . 16059 1 1004 . 1 1 256 256 SER CA C 13 57.93 0.3 . 1 . . . . 235 S CA . 16059 1 1005 . 1 1 256 256 SER CB C 13 65.26 0.3 . 1 . . . . 235 S CB . 16059 1 1006 . 1 1 256 256 SER N N 15 114.6 0.05 . 1 . . . . 235 S N . 16059 1 1007 . 1 1 257 257 ILE H H 1 8.089 0.006 . 1 . . . . 236 I HN . 16059 1 1008 . 1 1 257 257 ILE C C 13 173.5 0.1 . 1 . . . . 236 I CO . 16059 1 1009 . 1 1 257 257 ILE CA C 13 58.92 0.3 . 1 . . . . 236 I CA . 16059 1 1010 . 1 1 257 257 ILE CB C 13 39.48 0.3 . 1 . . . . 236 I CB . 16059 1 1011 . 1 1 257 257 ILE N N 15 112.1 0.05 . 1 . . . . 236 I N . 16059 1 1012 . 1 1 258 258 GLU H H 1 8.357 0.006 . 1 . . . . 237 E HN . 16059 1 1013 . 1 1 258 258 GLU C C 13 176 0.1 . 1 . . . . 237 E CO . 16059 1 1014 . 1 1 258 258 GLU CA C 13 55.42 0.3 . 1 . . . . 237 E CA . 16059 1 1015 . 1 1 258 258 GLU CB C 13 29.92 0.3 . 1 . . . . 237 E CB . 16059 1 1016 . 1 1 258 258 GLU N N 15 125.9 0.05 . 1 . . . . 237 E N . 16059 1 1017 . 1 1 259 259 VAL H H 1 8.615 0.006 . 1 . . . . 238 V HN . 16059 1 1018 . 1 1 259 259 VAL C C 13 172.2 0.1 . 1 . . . . 238 V CO . 16059 1 1019 . 1 1 259 259 VAL CA C 13 56.94 0.3 . 1 . . . . 238 V CA . 16059 1 1020 . 1 1 259 259 VAL CB C 13 33.52 0.3 . 1 . . . . 238 V CB . 16059 1 1021 . 1 1 259 259 VAL N N 15 117.3 0.05 . 1 . . . . 238 V N . 16059 1 1022 . 1 1 260 260 ASP H H 1 8.502 0.006 . 1 . . . . 239 D HN . 16059 1 1023 . 1 1 260 260 ASP C C 13 176 0.1 . 1 . . . . 239 D CO . 16059 1 1024 . 1 1 260 260 ASP CA C 13 52.4 0.3 . 1 . . . . 239 D CA . 16059 1 1025 . 1 1 260 260 ASP CB C 13 42.83 0.3 . 1 . . . . 239 D CB . 16059 1 1026 . 1 1 260 260 ASP N N 15 118.5 0.05 . 1 . . . . 239 D N . 16059 1 1027 . 1 1 261 261 TYR H H 1 9.293 0.006 . 1 . . . . 240 Y HN . 16059 1 1028 . 1 1 261 261 TYR C C 13 174.2 0.1 . 1 . . . . 240 Y CO . 16059 1 1029 . 1 1 261 261 TYR CA C 13 53.9 0.3 . 1 . . . . 240 Y CA . 16059 1 1030 . 1 1 261 261 TYR CB C 13 39.29 0.3 . 1 . . . . 240 Y CB . 16059 1 1031 . 1 1 261 261 TYR N N 15 128.9 0.05 . 1 . . . . 240 Y N . 16059 1 1032 . 1 1 262 262 ASP H H 1 8.65 0.006 . 1 . . . . 241 D HN . 16059 1 1033 . 1 1 262 262 ASP C C 13 175.2 0.1 . 1 . . . . 241 D CO . 16059 1 1034 . 1 1 262 262 ASP CA C 13 54.75 0.3 . 1 . . . . 241 D CA . 16059 1 1035 . 1 1 262 262 ASP CB C 13 39.35 0.3 . 1 . . . . 241 D CB . 16059 1 1036 . 1 1 262 262 ASP N N 15 127.1 0.05 . 1 . . . . 241 D N . 16059 1 1037 . 1 1 263 263 GLY H H 1 8.784 0.006 . 1 . . . . 242 G HN . 16059 1 1038 . 1 1 263 263 GLY C C 13 174.6 0.1 . 1 . . . . 242 G CO . 16059 1 1039 . 1 1 263 263 GLY CA C 13 44.89 0.3 . 1 . . . . 242 G CA . 16059 1 1040 . 1 1 263 263 GLY N N 15 106.2 0.05 . 1 . . . . 242 G N . 16059 1 1041 . 1 1 264 264 VAL H H 1 7.636 0.006 . 1 . . . . 243 V HN . 16059 1 1042 . 1 1 264 264 VAL C C 13 174.5 0.1 . 1 . . . . 243 V CO . 16059 1 1043 . 1 1 264 264 VAL CA C 13 61.59 0.3 . 1 . . . . 243 V CA . 16059 1 1044 . 1 1 264 264 VAL CB C 13 32.25 0.3 . 1 . . . . 243 V CB . 16059 1 1045 . 1 1 264 264 VAL N N 15 123.7 0.05 . 1 . . . . 243 V N . 16059 1 1046 . 1 1 265 265 VAL H H 1 8.124 0.006 . 1 . . . . 244 V HN . 16059 1 1047 . 1 1 265 265 VAL CA C 13 60.3 0.3 . 1 . . . . 244 V CA . 16059 1 1048 . 1 1 265 265 VAL CB C 13 32.09 0.3 . 1 . . . . 244 V CB . 16059 1 1049 . 1 1 265 265 VAL N N 15 127.2 0.05 . 1 . . . . 244 V N . 16059 1 1050 . 1 1 266 266 PHE C C 13 172.9 0.1 . 1 . . . . 245 F CO . 16059 1 1051 . 1 1 266 266 PHE CA C 13 55.81 0.3 . 1 . . . . 245 F CA . 16059 1 1052 . 1 1 266 266 PHE CB C 13 39.67 0.3 . 1 . . . . 245 F CB . 16059 1 1053 . 1 1 267 267 SER H H 1 8.38 0.006 . 1 . . . . 246 S HN . 16059 1 1054 . 1 1 267 267 SER C C 13 174.3 0.1 . 1 . . . . 246 S CO . 16059 1 1055 . 1 1 267 267 SER CA C 13 57.65 0.3 . 1 . . . . 246 S CA . 16059 1 1056 . 1 1 267 267 SER CB C 13 64.53 0.3 . 1 . . . . 246 S CB . 16059 1 1057 . 1 1 267 267 SER N N 15 114.8 0.05 . 1 . . . . 246 S N . 16059 1 1058 . 1 1 268 268 ILE H H 1 9.295 0.006 . 1 . . . . 247 I HN . 16059 1 1059 . 1 1 268 268 ILE C C 13 175.6 0.1 . 1 . . . . 247 I CO . 16059 1 1060 . 1 1 268 268 ILE CA C 13 61.34 0.3 . 1 . . . . 247 I CA . 16059 1 1061 . 1 1 268 268 ILE CB C 13 38.96 0.3 . 1 . . . . 247 I CB . 16059 1 1062 . 1 1 268 268 ILE N N 15 122.5 0.05 . 1 . . . . 247 I N . 16059 1 1063 . 1 1 269 269 GLY H H 1 8.93 0.006 . 1 . . . . 248 G HN . 16059 1 1064 . 1 1 269 269 GLY C C 13 173.4 0.1 . 1 . . . . 248 G CO . 16059 1 1065 . 1 1 269 269 GLY CA C 13 44.54 0.3 . 1 . . . . 248 G CA . 16059 1 1066 . 1 1 269 269 GLY N N 15 113.9 0.05 . 1 . . . . 248 G N . 16059 1 1067 . 1 1 270 270 THR H H 1 7.367 0.006 . 1 . . . . 249 T HN . 16059 1 1068 . 1 1 270 270 THR C C 13 172.5 0.1 . 1 . . . . 249 T CO . 16059 1 1069 . 1 1 270 270 THR CA C 13 61.08 0.3 . 1 . . . . 249 T CA . 16059 1 1070 . 1 1 270 270 THR CB C 13 70.38 0.3 . 1 . . . . 249 T CB . 16059 1 1071 . 1 1 270 270 THR N N 15 116 0.05 . 1 . . . . 249 T N . 16059 1 1072 . 1 1 271 271 GLY H H 1 8.686 0.006 . 1 . . . . 250 G HN . 16059 1 1073 . 1 1 271 271 GLY C C 13 172.2 0.1 . 1 . . . . 250 G CO . 16059 1 1074 . 1 1 271 271 GLY CA C 13 44.42 0.3 . 1 . . . . 250 G CA . 16059 1 1075 . 1 1 271 271 GLY N N 15 112.2 0.05 . 1 . . . . 250 G N . 16059 1 1076 . 1 1 272 272 PHE H H 1 6.543 0.006 . 1 . . . . 251 F HN . 16059 1 1077 . 1 1 272 272 PHE C C 13 176.4 0.1 . 1 . . . . 251 F CO . 16059 1 1078 . 1 1 272 272 PHE CA C 13 54.88 0.3 . 1 . . . . 251 F CA . 16059 1 1079 . 1 1 272 272 PHE CB C 13 41.53 0.3 . 1 . . . . 251 F CB . 16059 1 1080 . 1 1 272 272 PHE N N 15 116.8 0.05 . 1 . . . . 251 F N . 16059 1 1081 . 1 1 273 273 ASP H H 1 9.078 0.006 . 1 . . . . 252 D HN . 16059 1 1082 . 1 1 273 273 ASP C C 13 176.4 0.1 . 1 . . . . 252 D CO . 16059 1 1083 . 1 1 273 273 ASP CA C 13 51.92 0.3 . 1 . . . . 252 D CA . 16059 1 1084 . 1 1 273 273 ASP CB C 13 41.27 0.3 . 1 . . . . 252 D CB . 16059 1 1085 . 1 1 273 273 ASP N N 15 124.1 0.05 . 1 . . . . 252 D N . 16059 1 1086 . 1 1 274 274 ALA H H 1 8.383 0.006 . 1 . . . . 253 A HN . 16059 1 1087 . 1 1 274 274 ALA C C 13 180.9 0.1 . 1 . . . . 253 A CO . 16059 1 1088 . 1 1 274 274 ALA CA C 13 55.68 0.3 . 1 . . . . 253 A CA . 16059 1 1089 . 1 1 274 274 ALA CB C 13 17.95 0.3 . 1 . . . . 253 A CB . 16059 1 1090 . 1 1 274 274 ALA N N 15 120.8 0.05 . 1 . . . . 253 A N . 16059 1 1091 . 1 1 275 275 ASP H H 1 8.059 0.006 . 1 . . . . 254 D HN . 16059 1 1092 . 1 1 275 275 ASP C C 13 179.3 0.1 . 1 . . . . 254 D CO . 16059 1 1093 . 1 1 275 275 ASP CA C 13 57.21 0.3 . 1 . . . . 254 D CA . 16059 1 1094 . 1 1 275 275 ASP CB C 13 39.76 0.3 . 1 . . . . 254 D CB . 16059 1 1095 . 1 1 275 275 ASP N N 15 119.1 0.05 . 1 . . . . 254 D N . 16059 1 1096 . 1 1 276 276 GLN H H 1 8.749 0.006 . 1 . . . . 255 Q HN . 16059 1 1097 . 1 1 276 276 GLN C C 13 178.9 0.1 . 1 . . . . 255 Q CO . 16059 1 1098 . 1 1 276 276 GLN CA C 13 58.39 0.3 . 1 . . . . 255 Q CA . 16059 1 1099 . 1 1 276 276 GLN CB C 13 28.22 0.3 . 1 . . . . 255 Q CB . 16059 1 1100 . 1 1 276 276 GLN N N 15 121.7 0.05 . 1 . . . . 255 Q N . 16059 1 1101 . 1 1 277 277 ARG H H 1 8.246 0.006 . 1 . . . . 256 R HN . 16059 1 1102 . 1 1 277 277 ARG C C 13 180 0.1 . 1 . . . . 256 R CO . 16059 1 1103 . 1 1 277 277 ARG CA C 13 61.21 0.3 . 1 . . . . 256 R CA . 16059 1 1104 . 1 1 277 277 ARG CB C 13 27.65 0.3 . 1 . . . . 256 R CB . 16059 1 1105 . 1 1 277 277 ARG N N 15 116.9 0.05 . 1 . . . . 256 R N . 16059 1 1106 . 1 1 278 278 ARG H H 1 7.485 0.006 . 1 . . . . 257 R HN . 16059 1 1107 . 1 1 278 278 ARG C C 13 177.4 0.1 . 1 . . . . 257 R CO . 16059 1 1108 . 1 1 278 278 ARG CA C 13 59.62 0.3 . 1 . . . . 257 R CA . 16059 1 1109 . 1 1 278 278 ARG CB C 13 29.38 0.3 . 1 . . . . 257 R CB . 16059 1 1110 . 1 1 278 278 ARG N N 15 120.4 0.05 . 1 . . . . 257 R N . 16059 1 1111 . 1 1 279 279 ASP H H 1 8.515 0.006 . 1 . . . . 258 D HN . 16059 1 1112 . 1 1 279 279 ASP C C 13 178.8 0.1 . 1 . . . . 258 D CO . 16059 1 1113 . 1 1 279 279 ASP CA C 13 58.06 0.3 . 1 . . . . 258 D CA . 16059 1 1114 . 1 1 279 279 ASP CB C 13 41.81 0.3 . 1 . . . . 258 D CB . 16059 1 1115 . 1 1 279 279 ASP N N 15 121.1 0.05 . 1 . . . . 258 D N . 16059 1 1116 . 1 1 280 280 PHE H H 1 9.114 0.006 . 1 . . . . 259 F HN . 16059 1 1117 . 1 1 280 280 PHE C C 13 176.1 0.1 . 1 . . . . 259 F CO . 16059 1 1118 . 1 1 280 280 PHE CA C 13 59.82 0.3 . 1 . . . . 259 F CA . 16059 1 1119 . 1 1 280 280 PHE CB C 13 37.46 0.3 . 1 . . . . 259 F CB . 16059 1 1120 . 1 1 280 280 PHE N N 15 117.6 0.05 . 1 . . . . 259 F N . 16059 1 1121 . 1 1 281 281 TRP H H 1 6.723 0.006 . 1 . . . . 260 W HN . 16059 1 1122 . 1 1 281 281 TRP C C 13 179.3 0.1 . 1 . . . . 260 W CO . 16059 1 1123 . 1 1 281 281 TRP CA C 13 59.37 0.3 . 1 . . . . 260 W CA . 16059 1 1124 . 1 1 281 281 TRP CB C 13 29.94 0.3 . 1 . . . . 260 W CB . 16059 1 1125 . 1 1 281 281 TRP N N 15 113.4 0.05 . 1 . . . . 260 W N . 16059 1 1126 . 1 1 282 282 GLN H H 1 8.594 0.006 . 1 . . . . 261 Q HN . 16059 1 1127 . 1 1 282 282 GLN C C 13 177.4 0.1 . 1 . . . . 261 Q CO . 16059 1 1128 . 1 1 282 282 GLN CA C 13 58.13 0.3 . 1 . . . . 261 Q CA . 16059 1 1129 . 1 1 282 282 GLN CB C 13 28 0.3 . 1 . . . . 261 Q CB . 16059 1 1130 . 1 1 282 282 GLN N N 15 117.3 0.05 . 1 . . . . 261 Q N . 16059 1 1131 . 1 1 283 283 ASN H H 1 7.656 0.006 . 1 . . . . 262 N HN . 16059 1 1132 . 1 1 283 283 ASN C C 13 175.7 0.1 . 1 . . . . 262 N CO . 16059 1 1133 . 1 1 283 283 ASN CA C 13 51.93 0.3 . 1 . . . . 262 N CA . 16059 1 1134 . 1 1 283 283 ASN CB C 13 38.37 0.3 . 1 . . . . 262 N CB . 16059 1 1135 . 1 1 283 283 ASN N N 15 115.6 0.05 . 1 . . . . 262 N N . 16059 1 1136 . 1 1 284 284 LYS H H 1 6.724 0.006 . 1 . . . . 263 K HN . 16059 1 1137 . 1 1 284 284 LYS C C 13 178 0.1 . 1 . . . . 263 K CO . 16059 1 1138 . 1 1 284 284 LYS CA C 13 60.71 0.3 . 1 . . . . 263 K CA . 16059 1 1139 . 1 1 284 284 LYS CB C 13 31.96 0.3 . 1 . . . . 263 K CB . 16059 1 1140 . 1 1 284 284 LYS N N 15 121.7 0.05 . 1 . . . . 263 K N . 16059 1 1141 . 1 1 285 285 GLU H H 1 8.452 0.006 . 1 . . . . 264 E HN . 16059 1 1142 . 1 1 285 285 GLU C C 13 178.7 0.1 . 1 . . . . 264 E CO . 16059 1 1143 . 1 1 285 285 GLU CA C 13 59.1 0.3 . 1 . . . . 264 E CA . 16059 1 1144 . 1 1 285 285 GLU CB C 13 27.94 0.3 . 1 . . . . 264 E CB . 16059 1 1145 . 1 1 285 285 GLU N N 15 116.4 0.05 . 1 . . . . 264 E N . 16059 1 1146 . 1 1 286 286 SER H H 1 7.752 0.006 . 1 . . . . 265 S HN . 16059 1 1147 . 1 1 286 286 SER C C 13 174.5 0.1 . 1 . . . . 265 S CO . 16059 1 1148 . 1 1 286 286 SER CA C 13 59.51 0.3 . 1 . . . . 265 S CA . 16059 1 1149 . 1 1 286 286 SER CB C 13 62.63 0.3 . 1 . . . . 265 S CB . 16059 1 1150 . 1 1 286 286 SER N N 15 113.5 0.05 . 1 . . . . 265 S N . 16059 1 1151 . 1 1 287 287 TYR H H 1 7.552 0.006 . 1 . . . . 266 Y HN . 16059 1 1152 . 1 1 287 287 TYR C C 13 176.3 0.1 . 1 . . . . 266 Y CO . 16059 1 1153 . 1 1 287 287 TYR CA C 13 59.49 0.3 . 1 . . . . 266 Y CA . 16059 1 1154 . 1 1 287 287 TYR CB C 13 39.01 0.3 . 1 . . . . 266 Y CB . 16059 1 1155 . 1 1 287 287 TYR N N 15 118.8 0.05 . 1 . . . . 266 Y N . 16059 1 1156 . 1 1 288 288 ILE H H 1 7.244 0.006 . 1 . . . . 267 I HN . 16059 1 1157 . 1 1 288 288 ILE C C 13 177.4 0.1 . 1 . . . . 267 I CO . 16059 1 1158 . 1 1 288 288 ILE CA C 13 62.84 0.3 . 1 . . . . 267 I CA . 16059 1 1159 . 1 1 288 288 ILE CB C 13 34.98 0.3 . 1 . . . . 267 I CB . 16059 1 1160 . 1 1 288 288 ILE N N 15 119.6 0.05 . 1 . . . . 267 I N . 16059 1 1161 . 1 1 289 289 GLY H H 1 8.868 0.006 . 1 . . . . 268 G HN . 16059 1 1162 . 1 1 289 289 GLY C C 13 177.5 0.1 . 1 . . . . 268 G CO . 16059 1 1163 . 1 1 289 289 GLY CA C 13 44.75 0.3 . 1 . . . . 268 G CA . 16059 1 1164 . 1 1 289 289 GLY N N 15 116.8 0.05 . 1 . . . . 268 G N . 16059 1 1165 . 1 1 290 290 LYS H H 1 7.986 0.006 . 1 . . . . 269 K HN . 16059 1 1166 . 1 1 290 290 LYS C C 13 175.4 0.1 . 1 . . . . 269 K CO . 16059 1 1167 . 1 1 290 290 LYS CA C 13 55.41 0.3 . 1 . . . . 269 K CA . 16059 1 1168 . 1 1 290 290 LYS CB C 13 32.13 0.3 . 1 . . . . 269 K CB . 16059 1 1169 . 1 1 290 290 LYS N N 15 120.3 0.05 . 1 . . . . 269 K N . 16059 1 1170 . 1 1 291 291 MET H H 1 8.71 0.006 . 1 . . . . 270 M HN . 16059 1 1171 . 1 1 291 291 MET C C 13 176.2 0.1 . 1 . . . . 270 M CO . 16059 1 1172 . 1 1 291 291 MET CA C 13 54.22 0.3 . 1 . . . . 270 M CA . 16059 1 1173 . 1 1 291 291 MET CB C 13 33.1 0.3 . 1 . . . . 270 M CB . 16059 1 1174 . 1 1 291 291 MET N N 15 118.9 0.05 . 1 . . . . 270 M N . 16059 1 1175 . 1 1 292 292 VAL H H 1 9.364 0.006 . 1 . . . . 271 V HN . 16059 1 1176 . 1 1 292 292 VAL C C 13 174.4 0.1 . 1 . . . . 271 V CO . 16059 1 1177 . 1 1 292 292 VAL CA C 13 58.35 0.3 . 1 . . . . 271 V CA . 16059 1 1178 . 1 1 292 292 VAL CB C 13 33.59 0.3 . 1 . . . . 271 V CB . 16059 1 1179 . 1 1 292 292 VAL N N 15 117 0.05 . 1 . . . . 271 V N . 16059 1 1180 . 1 1 293 293 LYS H H 1 8.984 0.006 . 1 . . . . 272 K HN . 16059 1 1181 . 1 1 293 293 LYS C C 13 175.4 0.1 . 1 . . . . 272 K CO . 16059 1 1182 . 1 1 293 293 LYS CA C 13 54.53 0.3 . 1 . . . . 272 K CA . 16059 1 1183 . 1 1 293 293 LYS CB C 13 32.8 0.3 . 1 . . . . 272 K CB . 16059 1 1184 . 1 1 293 293 LYS N N 15 122.7 0.05 . 1 . . . . 272 K N . 16059 1 1185 . 1 1 294 294 PHE H H 1 8.883 0.006 . 1 . . . . 273 F HN . 16059 1 1186 . 1 1 294 294 PHE C C 13 171.7 0.1 . 1 . . . . 273 F CO . 16059 1 1187 . 1 1 294 294 PHE CA C 13 55.27 0.3 . 1 . . . . 273 F CA . 16059 1 1188 . 1 1 294 294 PHE CB C 13 41.77 0.3 . 1 . . . . 273 F CB . 16059 1 1189 . 1 1 294 294 PHE N N 15 121.8 0.05 . 1 . . . . 273 F N . 16059 1 1190 . 1 1 295 295 LYS H H 1 8.828 0.006 . 1 . . . . 274 K HN . 16059 1 1191 . 1 1 295 295 LYS CA C 13 53.45 0.3 . 1 . . . . 274 K CA . 16059 1 1192 . 1 1 295 295 LYS CB C 13 36.59 0.3 . 1 . . . . 274 K CB . 16059 1 1193 . 1 1 295 295 LYS N N 15 119.4 0.05 . 1 . . . . 274 K N . 16059 1 1194 . 1 1 308 308 PRO C C 13 177.5 0.1 . 1 . . . . 287 P CO . 16059 1 1195 . 1 1 309 309 VAL H H 1 9.265 0.006 . 1 . . . . 288 V HN . 16059 1 1196 . 1 1 309 309 VAL C C 13 175.1 0.1 . 1 . . . . 288 V CO . 16059 1 1197 . 1 1 309 309 VAL CA C 13 60.14 0.3 . 1 . . . . 288 V CA . 16059 1 1198 . 1 1 309 309 VAL CB C 13 34.72 0.3 . 1 . . . . 288 V CB . 16059 1 1199 . 1 1 309 309 VAL N N 15 119.7 0.05 . 1 . . . . 288 V N . 16059 1 1200 . 1 1 310 310 PHE H H 1 8.217 0.006 . 1 . . . . 289 F HN . 16059 1 1201 . 1 1 310 310 PHE C C 13 173.2 0.1 . 1 . . . . 289 F CO . 16059 1 1202 . 1 1 310 310 PHE CA C 13 59.28 0.3 . 1 . . . . 289 F CA . 16059 1 1203 . 1 1 310 310 PHE N N 15 127.5 0.05 . 1 . . . . 289 F N . 16059 1 1204 . 1 1 311 311 ILE H H 1 7.804 0.006 . 1 . . . . 290 I HN . 16059 1 1205 . 1 1 311 311 ILE CA C 13 59.33 0.3 . 1 . . . . 290 I CA . 16059 1 1206 . 1 1 311 311 ILE N N 15 123.2 0.05 . 1 . . . . 290 I N . 16059 1 1207 . 1 1 312 312 GLY H H 1 6.374 0.006 . 1 . . . . 291 G HN . 16059 1 1208 . 1 1 312 312 GLY C C 13 171.2 0.1 . 1 . . . . 291 G CO . 16059 1 1209 . 1 1 312 312 GLY CA C 13 45.89 0.3 . 1 . . . . 291 G CA . 16059 1 1210 . 1 1 312 312 GLY N N 15 104.7 0.05 . 1 . . . . 291 G N . 16059 1 1211 . 1 1 313 313 ILE H H 1 8.679 0.006 . 1 . . . . 292 I HN . 16059 1 1212 . 1 1 313 313 ILE C C 13 175.9 0.1 . 1 . . . . 292 I CO . 16059 1 1213 . 1 1 313 313 ILE CA C 13 59.32 0.3 . 1 . . . . 292 I CA . 16059 1 1214 . 1 1 313 313 ILE CB C 13 38.31 0.3 . 1 . . . . 292 I CB . 16059 1 1215 . 1 1 313 313 ILE N N 15 121.2 0.05 . 1 . . . . 292 I N . 16059 1 1216 . 1 1 314 314 ARG H H 1 8.534 0.006 . 1 . . . . 293 R HN . 16059 1 1217 . 1 1 314 314 ARG C C 13 175.9 0.1 . 1 . . . . 293 R CO . 16059 1 1218 . 1 1 314 314 ARG CA C 13 55.91 0.3 . 1 . . . . 293 R CA . 16059 1 1219 . 1 1 314 314 ARG CB C 13 29.83 0.3 . 1 . . . . 293 R CB . 16059 1 1220 . 1 1 314 314 ARG N N 15 128.2 0.05 . 1 . . . . 293 R N . 16059 1 1221 . 1 1 315 315 HIS H H 1 8.54 0.006 . 1 . . . . 294 H HN . 16059 1 1222 . 1 1 315 315 HIS C C 13 176.4 0.1 . 1 . . . . 294 H CO . 16059 1 1223 . 1 1 315 315 HIS CA C 13 56.68 0.3 . 1 . . . . 294 H CA . 16059 1 1224 . 1 1 315 315 HIS CB C 13 29.77 0.3 . 1 . . . . 294 H CB . 16059 1 1225 . 1 1 315 315 HIS N N 15 123.6 0.05 . 1 . . . . 294 H N . 16059 1 1226 . 1 1 316 316 GLU H H 1 8.6 0.006 . 1 . . . . 295 E HN . 16059 1 1227 . 1 1 316 316 GLU CA C 13 56.28 0.3 . 1 . . . . 295 E CA . 16059 1 1228 . 1 1 316 316 GLU CB C 13 29.48 0.3 . 1 . . . . 295 E CB . 16059 1 1229 . 1 1 316 316 GLU N N 15 121.4 0.05 . 1 . . . . 295 E N . 16059 1 stop_ save_