data_27080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27080 _Entry.Title ; Backbone resonance assignment of the Human Uracil DNA Glycosylase-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-20 _Entry.Accession_date 2017-04-20 _Entry.Last_release_date 2017-04-20 _Entry.Original_release_date 2017-04-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR structural study of the UNG2 protein' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Hesna Kara . . . . 27080 2 Luc Ponchon . . . . 27080 3 Serge Bouaziz . . . . 27080 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universit Paris Descartes' . 27080 2 . CNRS . 27080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 692 27080 '15N chemical shifts' 231 27080 '1H chemical shifts' 231 27080 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-04-10 2017-04-20 update BMRB 'update entry citation' 27080 1 . . 2017-10-04 2017-04-20 original author 'original release' 27080 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28940147 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignment of the Human Uracil DNA Glycosylase-2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _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 37 _Citation.Page_last 42 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hesna Kara . . . . 27080 1 2 Luc Ponchon . . . . 27080 1 3 Serge Bouaziz . . . . 27080 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Base excision repair' 27080 1 HIV-1 27080 1 UNG2 27080 1 Vpr 27080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27080 _Assembly.ID 1 _Assembly.Name UNG2 _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 . _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 UNG2 1 $UNG2 A . yes native no no . . . 27080 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 2OYT . . . . . . 27080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UNG2 _Entity.Sf_category entity _Entity.Sf_framecode UNG2 _Entity.Entry_ID 27080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UNG2 _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 ; MGSSHHHHHHSSGLVPRGSH MENLYFQGFGESWKKHLSGE FGKPYFIKLMGFVAEERKHY TVYPPPHQVFTWTQMCDIKD VKVVILGQDPYHGPNQAHGL CFSVQRPVPPPPSLENIYKE LSTDIEDFVHPGHGDLSGWA KQGVLLLNAVLTVRAHQANS HKERGWEQFTDAVVSWLNQN SNGLVFLLWGSYAQKKGSAI DRKRHHVLQTAHPSPLSVYR GFFGCRHFSKTNELLQKSGK KPIDWKEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 66 MET . 27080 1 2 67 GLY . 27080 1 3 68 SER . 27080 1 4 69 SER . 27080 1 5 70 HIS . 27080 1 6 71 HIS . 27080 1 7 72 HIS . 27080 1 8 73 HIS . 27080 1 9 74 HIS . 27080 1 10 75 HIS . 27080 1 11 76 SER . 27080 1 12 77 SER . 27080 1 13 78 GLY . 27080 1 14 79 LEU . 27080 1 15 80 VAL . 27080 1 16 81 PRO . 27080 1 17 82 ARG . 27080 1 18 83 GLY . 27080 1 19 84 SER . 27080 1 20 85 HIS . 27080 1 21 86 MET . 27080 1 22 87 GLU . 27080 1 23 88 ASN . 27080 1 24 89 LEU . 27080 1 25 90 TYR . 27080 1 26 91 PHE . 27080 1 27 92 GLN . 27080 1 28 93 GLY . 27080 1 29 94 PHE . 27080 1 30 95 GLY . 27080 1 31 96 GLU . 27080 1 32 97 SER . 27080 1 33 98 TRP . 27080 1 34 99 LYS . 27080 1 35 100 LYS . 27080 1 36 101 HIS . 27080 1 37 102 LEU . 27080 1 38 103 SER . 27080 1 39 104 GLY . 27080 1 40 105 GLU . 27080 1 41 106 PHE . 27080 1 42 107 GLY . 27080 1 43 108 LYS . 27080 1 44 109 PRO . 27080 1 45 110 TYR . 27080 1 46 111 PHE . 27080 1 47 112 ILE . 27080 1 48 113 LYS . 27080 1 49 114 LEU . 27080 1 50 115 MET . 27080 1 51 116 GLY . 27080 1 52 117 PHE . 27080 1 53 118 VAL . 27080 1 54 119 ALA . 27080 1 55 120 GLU . 27080 1 56 121 GLU . 27080 1 57 122 ARG . 27080 1 58 123 LYS . 27080 1 59 124 HIS . 27080 1 60 125 TYR . 27080 1 61 126 THR . 27080 1 62 127 VAL . 27080 1 63 128 TYR . 27080 1 64 129 PRO . 27080 1 65 130 PRO . 27080 1 66 131 PRO . 27080 1 67 132 HIS . 27080 1 68 133 GLN . 27080 1 69 134 VAL . 27080 1 70 135 PHE . 27080 1 71 136 THR . 27080 1 72 137 TRP . 27080 1 73 138 THR . 27080 1 74 139 GLN . 27080 1 75 140 MET . 27080 1 76 141 CYS . 27080 1 77 142 ASP . 27080 1 78 143 ILE . 27080 1 79 144 LYS . 27080 1 80 145 ASP . 27080 1 81 146 VAL . 27080 1 82 147 LYS . 27080 1 83 148 VAL . 27080 1 84 149 VAL . 27080 1 85 150 ILE . 27080 1 86 151 LEU . 27080 1 87 152 GLY . 27080 1 88 153 GLN . 27080 1 89 154 ASP . 27080 1 90 155 PRO . 27080 1 91 156 TYR . 27080 1 92 157 HIS . 27080 1 93 158 GLY . 27080 1 94 159 PRO . 27080 1 95 160 ASN . 27080 1 96 161 GLN . 27080 1 97 162 ALA . 27080 1 98 163 HIS . 27080 1 99 164 GLY . 27080 1 100 165 LEU . 27080 1 101 166 CYS . 27080 1 102 167 PHE . 27080 1 103 168 SER . 27080 1 104 169 VAL . 27080 1 105 170 GLN . 27080 1 106 171 ARG . 27080 1 107 172 PRO . 27080 1 108 173 VAL . 27080 1 109 174 PRO . 27080 1 110 175 PRO . 27080 1 111 176 PRO . 27080 1 112 177 PRO . 27080 1 113 178 SER . 27080 1 114 179 LEU . 27080 1 115 180 GLU . 27080 1 116 181 ASN . 27080 1 117 182 ILE . 27080 1 118 183 TYR . 27080 1 119 184 LYS . 27080 1 120 185 GLU . 27080 1 121 186 LEU . 27080 1 122 187 SER . 27080 1 123 188 THR . 27080 1 124 189 ASP . 27080 1 125 190 ILE . 27080 1 126 191 GLU . 27080 1 127 192 ASP . 27080 1 128 193 PHE . 27080 1 129 194 VAL . 27080 1 130 195 HIS . 27080 1 131 196 PRO . 27080 1 132 197 GLY . 27080 1 133 198 HIS . 27080 1 134 199 GLY . 27080 1 135 200 ASP . 27080 1 136 201 LEU . 27080 1 137 202 SER . 27080 1 138 203 GLY . 27080 1 139 204 TRP . 27080 1 140 205 ALA . 27080 1 141 206 LYS . 27080 1 142 207 GLN . 27080 1 143 208 GLY . 27080 1 144 209 VAL . 27080 1 145 210 LEU . 27080 1 146 211 LEU . 27080 1 147 212 LEU . 27080 1 148 213 ASN . 27080 1 149 214 ALA . 27080 1 150 215 VAL . 27080 1 151 216 LEU . 27080 1 152 217 THR . 27080 1 153 218 VAL . 27080 1 154 219 ARG . 27080 1 155 220 ALA . 27080 1 156 221 HIS . 27080 1 157 222 GLN . 27080 1 158 223 ALA . 27080 1 159 224 ASN . 27080 1 160 225 SER . 27080 1 161 226 HIS . 27080 1 162 227 LYS . 27080 1 163 228 GLU . 27080 1 164 229 ARG . 27080 1 165 230 GLY . 27080 1 166 231 TRP . 27080 1 167 232 GLU . 27080 1 168 233 GLN . 27080 1 169 234 PHE . 27080 1 170 235 THR . 27080 1 171 236 ASP . 27080 1 172 237 ALA . 27080 1 173 238 VAL . 27080 1 174 239 VAL . 27080 1 175 240 SER . 27080 1 176 241 TRP . 27080 1 177 242 LEU . 27080 1 178 243 ASN . 27080 1 179 244 GLN . 27080 1 180 245 ASN . 27080 1 181 246 SER . 27080 1 182 247 ASN . 27080 1 183 248 GLY . 27080 1 184 249 LEU . 27080 1 185 250 VAL . 27080 1 186 251 PHE . 27080 1 187 252 LEU . 27080 1 188 253 LEU . 27080 1 189 254 TRP . 27080 1 190 255 GLY . 27080 1 191 256 SER . 27080 1 192 257 TYR . 27080 1 193 258 ALA . 27080 1 194 259 GLN . 27080 1 195 260 LYS . 27080 1 196 261 LYS . 27080 1 197 262 GLY . 27080 1 198 263 SER . 27080 1 199 264 ALA . 27080 1 200 265 ILE . 27080 1 201 266 ASP . 27080 1 202 267 ARG . 27080 1 203 268 LYS . 27080 1 204 269 ARG . 27080 1 205 270 HIS . 27080 1 206 271 HIS . 27080 1 207 272 VAL . 27080 1 208 273 LEU . 27080 1 209 274 GLN . 27080 1 210 275 THR . 27080 1 211 276 ALA . 27080 1 212 277 HIS . 27080 1 213 278 PRO . 27080 1 214 279 SER . 27080 1 215 280 PRO . 27080 1 216 281 LEU . 27080 1 217 282 SER . 27080 1 218 283 VAL . 27080 1 219 284 TYR . 27080 1 220 285 ARG . 27080 1 221 286 GLY . 27080 1 222 287 PHE . 27080 1 223 288 PHE . 27080 1 224 289 GLY . 27080 1 225 290 CYS . 27080 1 226 291 ARG . 27080 1 227 292 HIS . 27080 1 228 293 PHE . 27080 1 229 294 SER . 27080 1 230 295 LYS . 27080 1 231 296 THR . 27080 1 232 297 ASN . 27080 1 233 298 GLU . 27080 1 234 299 LEU . 27080 1 235 300 LEU . 27080 1 236 301 GLN . 27080 1 237 302 LYS . 27080 1 238 303 SER . 27080 1 239 304 GLY . 27080 1 240 305 LYS . 27080 1 241 306 LYS . 27080 1 242 307 PRO . 27080 1 243 308 ILE . 27080 1 244 309 ASP . 27080 1 245 310 TRP . 27080 1 246 311 LYS . 27080 1 247 312 GLU . 27080 1 248 313 LEU . 27080 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 27080 1 . GLY 2 2 27080 1 . SER 3 3 27080 1 . SER 4 4 27080 1 . HIS 5 5 27080 1 . HIS 6 6 27080 1 . HIS 7 7 27080 1 . HIS 8 8 27080 1 . HIS 9 9 27080 1 . HIS 10 10 27080 1 . SER 11 11 27080 1 . SER 12 12 27080 1 . GLY 13 13 27080 1 . LEU 14 14 27080 1 . VAL 15 15 27080 1 . PRO 16 16 27080 1 . ARG 17 17 27080 1 . GLY 18 18 27080 1 . SER 19 19 27080 1 . HIS 20 20 27080 1 . MET 21 21 27080 1 . GLU 22 22 27080 1 . ASN 23 23 27080 1 . LEU 24 24 27080 1 . TYR 25 25 27080 1 . PHE 26 26 27080 1 . GLN 27 27 27080 1 . GLY 28 28 27080 1 . PHE 29 29 27080 1 . GLY 30 30 27080 1 . GLU 31 31 27080 1 . SER 32 32 27080 1 . TRP 33 33 27080 1 . LYS 34 34 27080 1 . LYS 35 35 27080 1 . HIS 36 36 27080 1 . LEU 37 37 27080 1 . SER 38 38 27080 1 . GLY 39 39 27080 1 . GLU 40 40 27080 1 . PHE 41 41 27080 1 . GLY 42 42 27080 1 . LYS 43 43 27080 1 . PRO 44 44 27080 1 . TYR 45 45 27080 1 . PHE 46 46 27080 1 . ILE 47 47 27080 1 . LYS 48 48 27080 1 . LEU 49 49 27080 1 . MET 50 50 27080 1 . GLY 51 51 27080 1 . PHE 52 52 27080 1 . VAL 53 53 27080 1 . ALA 54 54 27080 1 . GLU 55 55 27080 1 . GLU 56 56 27080 1 . ARG 57 57 27080 1 . LYS 58 58 27080 1 . HIS 59 59 27080 1 . TYR 60 60 27080 1 . THR 61 61 27080 1 . VAL 62 62 27080 1 . TYR 63 63 27080 1 . PRO 64 64 27080 1 . PRO 65 65 27080 1 . PRO 66 66 27080 1 . HIS 67 67 27080 1 . GLN 68 68 27080 1 . VAL 69 69 27080 1 . PHE 70 70 27080 1 . THR 71 71 27080 1 . TRP 72 72 27080 1 . THR 73 73 27080 1 . GLN 74 74 27080 1 . MET 75 75 27080 1 . CYS 76 76 27080 1 . ASP 77 77 27080 1 . ILE 78 78 27080 1 . LYS 79 79 27080 1 . ASP 80 80 27080 1 . VAL 81 81 27080 1 . LYS 82 82 27080 1 . VAL 83 83 27080 1 . VAL 84 84 27080 1 . ILE 85 85 27080 1 . LEU 86 86 27080 1 . GLY 87 87 27080 1 . GLN 88 88 27080 1 . ASP 89 89 27080 1 . PRO 90 90 27080 1 . TYR 91 91 27080 1 . HIS 92 92 27080 1 . GLY 93 93 27080 1 . PRO 94 94 27080 1 . ASN 95 95 27080 1 . GLN 96 96 27080 1 . ALA 97 97 27080 1 . HIS 98 98 27080 1 . GLY 99 99 27080 1 . LEU 100 100 27080 1 . CYS 101 101 27080 1 . PHE 102 102 27080 1 . SER 103 103 27080 1 . VAL 104 104 27080 1 . GLN 105 105 27080 1 . ARG 106 106 27080 1 . PRO 107 107 27080 1 . VAL 108 108 27080 1 . PRO 109 109 27080 1 . PRO 110 110 27080 1 . PRO 111 111 27080 1 . PRO 112 112 27080 1 . SER 113 113 27080 1 . LEU 114 114 27080 1 . GLU 115 115 27080 1 . ASN 116 116 27080 1 . ILE 117 117 27080 1 . TYR 118 118 27080 1 . LYS 119 119 27080 1 . GLU 120 120 27080 1 . LEU 121 121 27080 1 . SER 122 122 27080 1 . THR 123 123 27080 1 . ASP 124 124 27080 1 . ILE 125 125 27080 1 . GLU 126 126 27080 1 . ASP 127 127 27080 1 . PHE 128 128 27080 1 . VAL 129 129 27080 1 . HIS 130 130 27080 1 . PRO 131 131 27080 1 . GLY 132 132 27080 1 . HIS 133 133 27080 1 . GLY 134 134 27080 1 . ASP 135 135 27080 1 . LEU 136 136 27080 1 . SER 137 137 27080 1 . GLY 138 138 27080 1 . TRP 139 139 27080 1 . ALA 140 140 27080 1 . LYS 141 141 27080 1 . GLN 142 142 27080 1 . GLY 143 143 27080 1 . VAL 144 144 27080 1 . LEU 145 145 27080 1 . LEU 146 146 27080 1 . LEU 147 147 27080 1 . ASN 148 148 27080 1 . ALA 149 149 27080 1 . VAL 150 150 27080 1 . LEU 151 151 27080 1 . THR 152 152 27080 1 . VAL 153 153 27080 1 . ARG 154 154 27080 1 . ALA 155 155 27080 1 . HIS 156 156 27080 1 . GLN 157 157 27080 1 . ALA 158 158 27080 1 . ASN 159 159 27080 1 . SER 160 160 27080 1 . HIS 161 161 27080 1 . LYS 162 162 27080 1 . GLU 163 163 27080 1 . ARG 164 164 27080 1 . GLY 165 165 27080 1 . TRP 166 166 27080 1 . GLU 167 167 27080 1 . GLN 168 168 27080 1 . PHE 169 169 27080 1 . THR 170 170 27080 1 . ASP 171 171 27080 1 . ALA 172 172 27080 1 . VAL 173 173 27080 1 . VAL 174 174 27080 1 . SER 175 175 27080 1 . TRP 176 176 27080 1 . LEU 177 177 27080 1 . ASN 178 178 27080 1 . GLN 179 179 27080 1 . ASN 180 180 27080 1 . SER 181 181 27080 1 . ASN 182 182 27080 1 . GLY 183 183 27080 1 . LEU 184 184 27080 1 . VAL 185 185 27080 1 . PHE 186 186 27080 1 . LEU 187 187 27080 1 . LEU 188 188 27080 1 . TRP 189 189 27080 1 . GLY 190 190 27080 1 . SER 191 191 27080 1 . TYR 192 192 27080 1 . ALA 193 193 27080 1 . GLN 194 194 27080 1 . LYS 195 195 27080 1 . LYS 196 196 27080 1 . GLY 197 197 27080 1 . SER 198 198 27080 1 . ALA 199 199 27080 1 . ILE 200 200 27080 1 . ASP 201 201 27080 1 . ARG 202 202 27080 1 . LYS 203 203 27080 1 . ARG 204 204 27080 1 . HIS 205 205 27080 1 . HIS 206 206 27080 1 . VAL 207 207 27080 1 . LEU 208 208 27080 1 . GLN 209 209 27080 1 . THR 210 210 27080 1 . ALA 211 211 27080 1 . HIS 212 212 27080 1 . PRO 213 213 27080 1 . SER 214 214 27080 1 . PRO 215 215 27080 1 . LEU 216 216 27080 1 . SER 217 217 27080 1 . VAL 218 218 27080 1 . TYR 219 219 27080 1 . ARG 220 220 27080 1 . GLY 221 221 27080 1 . PHE 222 222 27080 1 . PHE 223 223 27080 1 . GLY 224 224 27080 1 . CYS 225 225 27080 1 . ARG 226 226 27080 1 . HIS 227 227 27080 1 . PHE 228 228 27080 1 . SER 229 229 27080 1 . LYS 230 230 27080 1 . THR 231 231 27080 1 . ASN 232 232 27080 1 . GLU 233 233 27080 1 . LEU 234 234 27080 1 . LEU 235 235 27080 1 . GLN 236 236 27080 1 . LYS 237 237 27080 1 . SER 238 238 27080 1 . GLY 239 239 27080 1 . LYS 240 240 27080 1 . LYS 241 241 27080 1 . PRO 242 242 27080 1 . ILE 243 243 27080 1 . ASP 244 244 27080 1 . TRP 245 245 27080 1 . LYS 246 246 27080 1 . GLU 247 247 27080 1 . LEU 248 248 27080 1 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 27080 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UNG2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . 27080 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 27080 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UNG2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet28a . . . 27080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27080 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UNG2 '[U-100% 13C; U-100% 15N]' . . 1 $UNG2 . . 0.4 . . mM . . . . 27080 1 2 'potassium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 27080 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27080 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27080 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 27080 _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' 50 . mM 27080 1 pH 6.5 . pH 27080 1 pressure 1 . atm 27080 1 temperature 303 . K 27080 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27080 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 27080 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 27080 1 processing 27080 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 27080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27080 _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 27080 _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 . 600 'Equipped with cryprobe' . . 27080 1 2 spectrometer_2 Bruker Avance . 900 . . . 27080 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 27080 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27080 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27080 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27080 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27080 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27080 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 27080 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TRIS 'methyl carbon' . . . . ppm 57.5 internal direct 1 . . . . . 27080 1 H 1 water protons . . . . ppm 4.828 internal direct 1 . . . . . 27080 1 N 15 TRIS nitrogen . . . . ppm 124.4 internal direct 1 . . . . . 27080 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 27080 _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 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27080 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 178.675 0.000 . 1 . . . . . 66 MET C . 27080 1 2 . 1 1 1 1 MET CA C 13 56.686 0.000 . 1 . . . . . 66 MET CA . 27080 1 3 . 1 1 1 1 MET CB C 13 31.690 0.000 . 1 . . . . . 66 MET CB . 27080 1 4 . 1 1 2 2 GLY H H 1 8.533 0.014 . 1 . . . . . 67 GLY H . 27080 1 5 . 1 1 2 2 GLY C C 13 175.513 0.000 . 1 . . . . . 67 GLY C . 27080 1 6 . 1 1 2 2 GLY CA C 13 43.171 0.000 . 1 . . . . . 67 GLY CA . 27080 1 7 . 1 1 2 2 GLY N N 15 111.182 0.000 . 1 . . . . . 67 GLY N . 27080 1 8 . 1 1 3 3 SER H H 1 8.527 0.004 . 1 . . . . . 68 SER H . 27080 1 9 . 1 1 3 3 SER C C 13 177.238 0.000 . 1 . . . . . 68 SER C . 27080 1 10 . 1 1 3 3 SER CA C 13 57.546 0.000 . 1 . . . . . 68 SER CA . 27080 1 11 . 1 1 3 3 SER CB C 13 55.688 0.000 . 1 . . . . . 68 SER CB . 27080 1 12 . 1 1 3 3 SER N N 15 120.872 0.040 . 1 . . . . . 68 SER N . 27080 1 13 . 1 1 4 4 SER H H 1 8.343 0.001 . 1 . . . . . 69 SER H . 27080 1 14 . 1 1 4 4 SER C C 13 175.736 0.000 . 1 . . . . . 69 SER C . 27080 1 15 . 1 1 4 4 SER CA C 13 55.872 0.000 . 1 . . . . . 69 SER CA . 27080 1 16 . 1 1 4 4 SER CB C 13 74.773 0.000 . 1 . . . . . 69 SER CB . 27080 1 17 . 1 1 4 4 SER N N 15 118.701 0.000 . 1 . . . . . 69 SER N . 27080 1 18 . 1 1 5 5 HIS H H 1 7.893 0.010 . 1 . . . . . 70 HIS H . 27080 1 19 . 1 1 5 5 HIS C C 13 174.068 0.000 . 1 . . . . . 70 HIS C . 27080 1 20 . 1 1 5 5 HIS CA C 13 53.805 0.000 . 1 . . . . . 70 HIS CA . 27080 1 21 . 1 1 5 5 HIS CB C 13 28.798 0.000 . 1 . . . . . 70 HIS CB . 27080 1 22 . 1 1 5 5 HIS N N 15 126.657 0.016 . 1 . . . . . 70 HIS N . 27080 1 23 . 1 1 6 6 HIS H H 1 6.866 0.024 . 1 . . . . . 71 HIS H . 27080 1 24 . 1 1 6 6 HIS C C 13 172.809 0.000 . 1 . . . . . 71 HIS C . 27080 1 25 . 1 1 6 6 HIS CA C 13 57.787 0.000 . 1 . . . . . 71 HIS CA . 27080 1 26 . 1 1 6 6 HIS CB C 13 35.889 0.000 . 1 . . . . . 71 HIS CB . 27080 1 27 . 1 1 6 6 HIS N N 15 113.063 0.000 . 1 . . . . . 71 HIS N . 27080 1 28 . 1 1 7 7 HIS H H 1 9.087 0.002 . 1 . . . . . 72 HIS H . 27080 1 29 . 1 1 7 7 HIS C C 13 174.814 0.000 . 1 . . . . . 72 HIS C . 27080 1 30 . 1 1 7 7 HIS CA C 13 56.871 0.000 . 1 . . . . . 72 HIS CA . 27080 1 31 . 1 1 7 7 HIS CB C 13 32.423 0.000 . 1 . . . . . 72 HIS CB . 27080 1 32 . 1 1 7 7 HIS N N 15 128.276 0.000 . 1 . . . . . 72 HIS N . 27080 1 33 . 1 1 8 8 HIS H H 1 8.207 0.006 . 1 . . . . . 73 HIS H . 27080 1 34 . 1 1 8 8 HIS C C 13 174.810 0.000 . 1 . . . . . 73 HIS C . 27080 1 35 . 1 1 8 8 HIS CA C 13 51.078 0.000 . 1 . . . . . 73 HIS CA . 27080 1 36 . 1 1 8 8 HIS CB C 13 27.887 0.000 . 1 . . . . . 73 HIS CB . 27080 1 37 . 1 1 8 8 HIS N N 15 122.473 0.000 . 1 . . . . . 73 HIS N . 27080 1 38 . 1 1 9 9 HIS H H 1 8.022 0.011 . 1 . . . . . 74 HIS H . 27080 1 39 . 1 1 9 9 HIS C C 13 174.021 0.000 . 1 . . . . . 74 HIS C . 27080 1 40 . 1 1 9 9 HIS CA C 13 58.440 0.000 . 1 . . . . . 74 HIS CA . 27080 1 41 . 1 1 9 9 HIS CB C 13 31.230 0.000 . 1 . . . . . 74 HIS CB . 27080 1 42 . 1 1 9 9 HIS N N 15 127.425 0.000 . 1 . . . . . 74 HIS N . 27080 1 43 . 1 1 10 10 HIS H H 1 7.647 0.016 . 1 . . . . . 75 HIS H . 27080 1 44 . 1 1 10 10 HIS C C 13 179.004 0.000 . 1 . . . . . 75 HIS C . 27080 1 45 . 1 1 10 10 HIS CA C 13 57.630 0.000 . 1 . . . . . 75 HIS CA . 27080 1 46 . 1 1 10 10 HIS CB C 13 34.250 0.000 . 1 . . . . . 75 HIS CB . 27080 1 47 . 1 1 10 10 HIS N N 15 120.436 0.002 . 1 . . . . . 75 HIS N . 27080 1 48 . 1 1 11 11 SER H H 1 6.808 0.015 . 1 . . . . . 76 SER H . 27080 1 49 . 1 1 11 11 SER C C 13 175.908 0.000 . 1 . . . . . 76 SER C . 27080 1 50 . 1 1 11 11 SER N N 15 111.291 0.349 . 1 . . . . . 76 SER N . 27080 1 51 . 1 1 12 12 SER H H 1 9.026 0.001 . 1 . . . . . 77 SER H . 27080 1 52 . 1 1 12 12 SER C C 13 178.994 0.000 . 1 . . . . . 77 SER C . 27080 1 53 . 1 1 12 12 SER CB C 13 62.900 0.000 . 1 . . . . . 77 SER CB . 27080 1 54 . 1 1 12 12 SER N N 15 122.288 0.000 . 1 . . . . . 77 SER N . 27080 1 55 . 1 1 13 13 GLY H H 1 8.009 0.006 . 1 . . . . . 78 GLY H . 27080 1 56 . 1 1 13 13 GLY C C 13 171.182 0.000 . 1 . . . . . 78 GLY C . 27080 1 57 . 1 1 13 13 GLY CA C 13 45.123 0.027 . 1 . . . . . 78 GLY CA . 27080 1 58 . 1 1 13 13 GLY N N 15 118.723 0.051 . 1 . . . . . 78 GLY N . 27080 1 59 . 1 1 14 14 LEU H H 1 10.922 0.039 . 1 . . . . . 79 LEU H . 27080 1 60 . 1 1 14 14 LEU C C 13 178.913 0.000 . 1 . . . . . 79 LEU C . 27080 1 61 . 1 1 14 14 LEU CA C 13 52.412 0.073 . 1 . . . . . 79 LEU CA . 27080 1 62 . 1 1 14 14 LEU CB C 13 42.151 0.027 . 1 . . . . . 79 LEU CB . 27080 1 63 . 1 1 14 14 LEU N N 15 127.947 0.011 . 1 . . . . . 79 LEU N . 27080 1 64 . 1 1 15 15 VAL H H 1 7.330 0.001 . 1 . . . . . 80 VAL H . 27080 1 65 . 1 1 15 15 VAL CA C 13 63.729 0.000 . 1 . . . . . 80 VAL CA . 27080 1 66 . 1 1 15 15 VAL CB C 13 35.952 0.000 . 1 . . . . . 80 VAL CB . 27080 1 67 . 1 1 15 15 VAL N N 15 132.212 0.000 . 1 . . . . . 80 VAL N . 27080 1 68 . 1 1 16 16 PRO C C 13 174.817 0.000 . 1 . . . . . 81 PRO C . 27080 1 69 . 1 1 16 16 PRO CA C 13 66.809 0.000 . 1 . . . . . 81 PRO CA . 27080 1 70 . 1 1 16 16 PRO CB C 13 21.843 0.000 . 1 . . . . . 81 PRO CB . 27080 1 71 . 1 1 17 17 ARG H H 1 7.108 0.006 . 1 . . . . . 82 ARG H . 27080 1 72 . 1 1 17 17 ARG C C 13 174.731 0.000 . 1 . . . . . 82 ARG C . 27080 1 73 . 1 1 17 17 ARG CA C 13 53.940 0.000 . 1 . . . . . 82 ARG CA . 27080 1 74 . 1 1 17 17 ARG CB C 13 36.366 0.000 . 1 . . . . . 82 ARG CB . 27080 1 75 . 1 1 17 17 ARG N N 15 121.090 0.025 . 1 . . . . . 82 ARG N . 27080 1 76 . 1 1 18 18 GLY H H 1 7.938 0.007 . 1 . . . . . 83 GLY H . 27080 1 77 . 1 1 18 18 GLY C C 13 175.389 0.000 . 1 . . . . . 83 GLY C . 27080 1 78 . 1 1 18 18 GLY CA C 13 44.231 0.000 . 1 . . . . . 83 GLY CA . 27080 1 79 . 1 1 18 18 GLY N N 15 118.352 0.011 . 1 . . . . . 83 GLY N . 27080 1 80 . 1 1 19 19 SER H H 1 7.808 0.018 . 1 . . . . . 84 SER H . 27080 1 81 . 1 1 19 19 SER C C 13 171.444 0.000 . 1 . . . . . 84 SER C . 27080 1 82 . 1 1 19 19 SER CA C 13 60.510 0.000 . 1 . . . . . 84 SER CA . 27080 1 83 . 1 1 19 19 SER CB C 13 63.382 0.000 . 1 . . . . . 84 SER CB . 27080 1 84 . 1 1 19 19 SER N N 15 122.529 0.070 . 1 . . . . . 84 SER N . 27080 1 85 . 1 1 20 20 HIS H H 1 5.929 0.016 . 1 . . . . . 85 HIS H . 27080 1 86 . 1 1 20 20 HIS C C 13 177.716 0.000 . 1 . . . . . 85 HIS C . 27080 1 87 . 1 1 20 20 HIS CA C 13 52.019 0.000 . 1 . . . . . 85 HIS CA . 27080 1 88 . 1 1 20 20 HIS CB C 13 30.623 0.000 . 1 . . . . . 85 HIS CB . 27080 1 89 . 1 1 20 20 HIS N N 15 123.686 0.000 . 1 . . . . . 85 HIS N . 27080 1 90 . 1 1 21 21 MET H H 1 7.523 0.003 . 1 . . . . . 86 MET H . 27080 1 91 . 1 1 21 21 MET C C 13 178.312 0.000 . 1 . . . . . 86 MET C . 27080 1 92 . 1 1 21 21 MET CA C 13 54.094 0.000 . 1 . . . . . 86 MET CA . 27080 1 93 . 1 1 21 21 MET CB C 13 36.552 0.000 . 1 . . . . . 86 MET CB . 27080 1 94 . 1 1 21 21 MET N N 15 115.756 0.005 . 1 . . . . . 86 MET N . 27080 1 95 . 1 1 22 22 GLU H H 1 8.149 0.013 . 1 . . . . . 87 GLU H . 27080 1 96 . 1 1 22 22 GLU C C 13 176.252 0.000 . 1 . . . . . 87 GLU C . 27080 1 97 . 1 1 22 22 GLU CA C 13 57.872 0.099 . 1 . . . . . 87 GLU CA . 27080 1 98 . 1 1 22 22 GLU CB C 13 28.871 0.000 . 1 . . . . . 87 GLU CB . 27080 1 99 . 1 1 22 22 GLU N N 15 116.535 0.064 . 1 . . . . . 87 GLU N . 27080 1 100 . 1 1 23 23 ASN H H 1 8.244 0.006 . 1 . . . . . 88 ASN H . 27080 1 101 . 1 1 23 23 ASN C C 13 177.917 0.000 . 1 . . . . . 88 ASN C . 27080 1 102 . 1 1 23 23 ASN CA C 13 52.231 0.000 . 1 . . . . . 88 ASN CA . 27080 1 103 . 1 1 23 23 ASN CB C 13 38.745 0.000 . 1 . . . . . 88 ASN CB . 27080 1 104 . 1 1 23 23 ASN N N 15 117.453 0.000 . 1 . . . . . 88 ASN N . 27080 1 105 . 1 1 24 24 LEU H H 1 10.141 0.015 . 1 . . . . . 89 LEU H . 27080 1 106 . 1 1 24 24 LEU C C 13 176.529 0.000 . 1 . . . . . 89 LEU C . 27080 1 107 . 1 1 24 24 LEU CA C 13 60.271 0.000 . 1 . . . . . 89 LEU CA . 27080 1 108 . 1 1 24 24 LEU CB C 13 40.223 0.000 . 1 . . . . . 89 LEU CB . 27080 1 109 . 1 1 24 24 LEU N N 15 123.336 0.000 . 1 . . . . . 89 LEU N . 27080 1 110 . 1 1 25 25 TYR H H 1 7.753 0.013 . 1 . . . . . 90 TYR H . 27080 1 111 . 1 1 25 25 TYR C C 13 177.134 0.000 . 1 . . . . . 90 TYR C . 27080 1 112 . 1 1 25 25 TYR CA C 13 56.900 0.000 . 1 . . . . . 90 TYR CA . 27080 1 113 . 1 1 25 25 TYR CB C 13 35.983 0.000 . 1 . . . . . 90 TYR CB . 27080 1 114 . 1 1 25 25 TYR N N 15 119.796 0.055 . 1 . . . . . 90 TYR N . 27080 1 115 . 1 1 26 26 PHE H H 1 8.091 0.003 . 1 . . . . . 91 PHE H . 27080 1 116 . 1 1 26 26 PHE C C 13 175.699 0.000 . 1 . . . . . 91 PHE C . 27080 1 117 . 1 1 26 26 PHE CA C 13 31.862 0.000 . 1 . . . . . 91 PHE CA . 27080 1 118 . 1 1 26 26 PHE CB C 13 55.807 0.000 . 1 . . . . . 91 PHE CB . 27080 1 119 . 1 1 26 26 PHE N N 15 117.636 0.015 . 1 . . . . . 91 PHE N . 27080 1 120 . 1 1 27 27 GLN H H 1 8.089 0.010 . 1 . . . . . 92 GLN H . 27080 1 121 . 1 1 27 27 GLN C C 13 175.861 0.000 . 1 . . . . . 92 GLN C . 27080 1 122 . 1 1 27 27 GLN CA C 13 53.772 0.009 . 1 . . . . . 92 GLN CA . 27080 1 123 . 1 1 27 27 GLN CB C 13 26.590 0.008 . 1 . . . . . 92 GLN CB . 27080 1 124 . 1 1 27 27 GLN N N 15 121.909 0.003 . 1 . . . . . 92 GLN N . 27080 1 125 . 1 1 28 28 GLY H H 1 7.357 0.006 . 1 . . . . . 93 GLY H . 27080 1 126 . 1 1 28 28 GLY C C 13 175.304 0.000 . 1 . . . . . 93 GLY C . 27080 1 127 . 1 1 28 28 GLY CA C 13 44.139 0.000 . 1 . . . . . 93 GLY CA . 27080 1 128 . 1 1 28 28 GLY N N 15 107.250 0.075 . 1 . . . . . 93 GLY N . 27080 1 129 . 1 1 29 29 PHE H H 1 7.372 0.018 . 1 . . . . . 94 PHE H . 27080 1 130 . 1 1 29 29 PHE C C 13 173.681 0.000 . 1 . . . . . 94 PHE C . 27080 1 131 . 1 1 29 29 PHE CA C 13 51.121 0.000 . 1 . . . . . 94 PHE CA . 27080 1 132 . 1 1 29 29 PHE CB C 13 37.992 0.000 . 1 . . . . . 94 PHE CB . 27080 1 133 . 1 1 29 29 PHE N N 15 127.986 0.044 . 1 . . . . . 94 PHE N . 27080 1 134 . 1 1 30 30 GLY H H 1 8.565 0.001 . 1 . . . . . 95 GLY H . 27080 1 135 . 1 1 30 30 GLY C C 13 173.792 0.000 . 1 . . . . . 95 GLY C . 27080 1 136 . 1 1 30 30 GLY CA C 13 45.298 0.084 . 1 . . . . . 95 GLY CA . 27080 1 137 . 1 1 30 30 GLY N N 15 115.103 0.030 . 1 . . . . . 95 GLY N . 27080 1 138 . 1 1 31 31 GLU H H 1 6.045 0.011 . 1 . . . . . 96 GLU H . 27080 1 139 . 1 1 31 31 GLU C C 13 172.893 0.000 . 1 . . . . . 96 GLU C . 27080 1 140 . 1 1 31 31 GLU CA C 13 50.736 0.000 . 1 . . . . . 96 GLU CA . 27080 1 141 . 1 1 31 31 GLU CB C 13 26.394 0.000 . 1 . . . . . 96 GLU CB . 27080 1 142 . 1 1 31 31 GLU N N 15 116.710 0.010 . 1 . . . . . 96 GLU N . 27080 1 143 . 1 1 32 32 SER H H 1 7.829 0.010 . 1 . . . . . 97 SER H . 27080 1 144 . 1 1 32 32 SER C C 13 176.276 0.000 . 1 . . . . . 97 SER C . 27080 1 145 . 1 1 32 32 SER CA C 13 56.281 0.000 . 1 . . . . . 97 SER CA . 27080 1 146 . 1 1 32 32 SER CB C 13 62.428 0.000 . 1 . . . . . 97 SER CB . 27080 1 147 . 1 1 32 32 SER N N 15 113.340 0.000 . 1 . . . . . 97 SER N . 27080 1 148 . 1 1 33 33 TRP H H 1 8.301 0.005 . 1 . . . . . 98 TRP H . 27080 1 149 . 1 1 33 33 TRP C C 13 177.559 0.000 . 1 . . . . . 98 TRP C . 27080 1 150 . 1 1 33 33 TRP CA C 13 61.468 0.000 . 1 . . . . . 98 TRP CA . 27080 1 151 . 1 1 33 33 TRP CB C 13 28.619 0.000 . 1 . . . . . 98 TRP CB . 27080 1 152 . 1 1 33 33 TRP N N 15 123.136 0.000 . 1 . . . . . 98 TRP N . 27080 1 153 . 1 1 34 34 LYS H H 1 8.010 0.001 . 1 . . . . . 99 LYS H . 27080 1 154 . 1 1 34 34 LYS C C 13 179.561 0.000 . 1 . . . . . 99 LYS C . 27080 1 155 . 1 1 34 34 LYS CA C 13 54.008 0.000 . 1 . . . . . 99 LYS CA . 27080 1 156 . 1 1 34 34 LYS CB C 13 31.643 0.000 . 1 . . . . . 99 LYS CB . 27080 1 157 . 1 1 34 34 LYS N N 15 124.166 0.122 . 1 . . . . . 99 LYS N . 27080 1 158 . 1 1 35 35 LYS H H 1 7.788 0.005 . 1 . . . . . 100 LYS H . 27080 1 159 . 1 1 35 35 LYS C C 13 175.074 0.000 . 1 . . . . . 100 LYS C . 27080 1 160 . 1 1 35 35 LYS CA C 13 57.516 0.016 . 1 . . . . . 100 LYS CA . 27080 1 161 . 1 1 35 35 LYS CB C 13 30.891 0.000 . 1 . . . . . 100 LYS CB . 27080 1 162 . 1 1 35 35 LYS N N 15 123.586 0.003 . 1 . . . . . 100 LYS N . 27080 1 163 . 1 1 36 36 HIS H H 1 6.682 0.005 . 1 . . . . . 101 HIS H . 27080 1 164 . 1 1 36 36 HIS C C 13 175.734 0.000 . 1 . . . . . 101 HIS C . 27080 1 165 . 1 1 36 36 HIS CA C 13 56.677 0.011 . 1 . . . . . 101 HIS CA . 27080 1 166 . 1 1 36 36 HIS CB C 13 29.768 0.000 . 1 . . . . . 101 HIS CB . 27080 1 167 . 1 1 36 36 HIS N N 15 115.546 0.006 . 1 . . . . . 101 HIS N . 27080 1 168 . 1 1 37 37 LEU H H 1 7.672 0.004 . 1 . . . . . 102 LEU H . 27080 1 169 . 1 1 37 37 LEU C C 13 175.906 0.000 . 1 . . . . . 102 LEU C . 27080 1 170 . 1 1 37 37 LEU CA C 13 53.109 0.026 . 1 . . . . . 102 LEU CA . 27080 1 171 . 1 1 37 37 LEU CB C 13 41.193 0.022 . 1 . . . . . 102 LEU CB . 27080 1 172 . 1 1 37 37 LEU N N 15 119.367 0.011 . 1 . . . . . 102 LEU N . 27080 1 173 . 1 1 38 38 SER H H 1 7.328 0.002 . 1 . . . . . 103 SER H . 27080 1 174 . 1 1 38 38 SER C C 13 175.620 0.000 . 1 . . . . . 103 SER C . 27080 1 175 . 1 1 38 38 SER CA C 13 59.253 0.083 . 1 . . . . . 103 SER CA . 27080 1 176 . 1 1 38 38 SER CB C 13 61.430 0.060 . 1 . . . . . 103 SER CB . 27080 1 177 . 1 1 38 38 SER N N 15 115.077 0.005 . 1 . . . . . 103 SER N . 27080 1 178 . 1 1 39 39 GLY H H 1 8.562 0.015 . 1 . . . . . 104 GLY H . 27080 1 179 . 1 1 39 39 GLY C C 13 176.074 0.000 . 1 . . . . . 104 GLY C . 27080 1 180 . 1 1 39 39 GLY CA C 13 44.745 0.000 . 1 . . . . . 104 GLY CA . 27080 1 181 . 1 1 39 39 GLY N N 15 113.204 0.004 . 1 . . . . . 104 GLY N . 27080 1 182 . 1 1 40 40 GLU H H 1 7.816 0.006 . 1 . . . . . 105 GLU H . 27080 1 183 . 1 1 40 40 GLU C C 13 179.199 0.000 . 1 . . . . . 105 GLU C . 27080 1 184 . 1 1 40 40 GLU CA C 13 56.431 0.037 . 1 . . . . . 105 GLU CA . 27080 1 185 . 1 1 40 40 GLU CB C 13 28.583 0.000 . 1 . . . . . 105 GLU CB . 27080 1 186 . 1 1 40 40 GLU N N 15 118.071 0.016 . 1 . . . . . 105 GLU N . 27080 1 187 . 1 1 41 41 PHE H H 1 6.549 0.008 . 1 . . . . . 106 PHE H . 27080 1 188 . 1 1 41 41 PHE C C 13 175.673 0.000 . 1 . . . . . 106 PHE C . 27080 1 189 . 1 1 41 41 PHE CA C 13 54.978 0.016 . 1 . . . . . 106 PHE CA . 27080 1 190 . 1 1 41 41 PHE CB C 13 35.472 0.000 . 1 . . . . . 106 PHE CB . 27080 1 191 . 1 1 41 41 PHE N N 15 113.502 0.001 . 1 . . . . . 106 PHE N . 27080 1 192 . 1 1 42 42 GLY H H 1 7.251 0.002 . 1 . . . . . 107 GLY H . 27080 1 193 . 1 1 42 42 GLY C C 13 174.699 0.000 . 1 . . . . . 107 GLY C . 27080 1 194 . 1 1 42 42 GLY CA C 13 42.708 0.026 . 1 . . . . . 107 GLY CA . 27080 1 195 . 1 1 42 42 GLY N N 15 102.786 0.029 . 1 . . . . . 107 GLY N . 27080 1 196 . 1 1 43 43 LYS H H 1 7.395 0.003 . 1 . . . . . 108 LYS H . 27080 1 197 . 1 1 43 43 LYS CA C 13 53.910 0.000 . 1 . . . . . 108 LYS CA . 27080 1 198 . 1 1 43 43 LYS CB C 13 31.404 0.000 . 1 . . . . . 108 LYS CB . 27080 1 199 . 1 1 43 43 LYS N N 15 123.501 0.049 . 1 . . . . . 108 LYS N . 27080 1 200 . 1 1 44 44 PRO C C 13 174.828 0.000 . 1 . . . . . 109 PRO C . 27080 1 201 . 1 1 44 44 PRO CA C 13 63.303 0.000 . 1 . . . . . 109 PRO CA . 27080 1 202 . 1 1 44 44 PRO CB C 13 28.867 0.000 . 1 . . . . . 109 PRO CB . 27080 1 203 . 1 1 45 45 TYR H H 1 7.590 0.012 . 1 . . . . . 110 TYR H . 27080 1 204 . 1 1 45 45 TYR C C 13 172.443 0.000 . 1 . . . . . 110 TYR C . 27080 1 205 . 1 1 45 45 TYR CA C 13 59.358 0.076 . 1 . . . . . 110 TYR CA . 27080 1 206 . 1 1 45 45 TYR CB C 13 34.406 0.000 . 1 . . . . . 110 TYR CB . 27080 1 207 . 1 1 45 45 TYR N N 15 118.339 0.047 . 1 . . . . . 110 TYR N . 27080 1 208 . 1 1 46 46 PHE H H 1 6.549 0.027 . 1 . . . . . 111 PHE H . 27080 1 209 . 1 1 46 46 PHE C C 13 177.428 0.000 . 1 . . . . . 111 PHE C . 27080 1 210 . 1 1 46 46 PHE CA C 13 59.282 0.000 . 1 . . . . . 111 PHE CA . 27080 1 211 . 1 1 46 46 PHE CB C 13 39.170 0.000 . 1 . . . . . 111 PHE CB . 27080 1 212 . 1 1 46 46 PHE N N 15 130.122 0.007 . 1 . . . . . 111 PHE N . 27080 1 213 . 1 1 47 47 ILE H H 1 7.467 0.003 . 1 . . . . . 112 ILE H . 27080 1 214 . 1 1 47 47 ILE C C 13 179.505 0.000 . 1 . . . . . 112 ILE C . 27080 1 215 . 1 1 47 47 ILE CA C 13 63.463 0.008 . 1 . . . . . 112 ILE CA . 27080 1 216 . 1 1 47 47 ILE CB C 13 37.347 0.055 . 1 . . . . . 112 ILE CB . 27080 1 217 . 1 1 47 47 ILE N N 15 122.244 0.027 . 1 . . . . . 112 ILE N . 27080 1 218 . 1 1 48 48 LYS H H 1 7.858 0.010 . 1 . . . . . 113 LYS H . 27080 1 219 . 1 1 48 48 LYS C C 13 178.798 0.004 . 1 . . . . . 113 LYS C . 27080 1 220 . 1 1 48 48 LYS CA C 13 58.236 0.002 . 1 . . . . . 113 LYS CA . 27080 1 221 . 1 1 48 48 LYS CB C 13 31.174 0.004 . 1 . . . . . 113 LYS CB . 27080 1 222 . 1 1 48 48 LYS N N 15 121.622 0.000 . 1 . . . . . 113 LYS N . 27080 1 223 . 1 1 49 49 LEU H H 1 7.651 0.005 . 1 . . . . . 114 LEU H . 27080 1 224 . 1 1 49 49 LEU C C 13 177.183 0.000 . 1 . . . . . 114 LEU C . 27080 1 225 . 1 1 49 49 LEU CA C 13 57.082 0.000 . 1 . . . . . 114 LEU CA . 27080 1 226 . 1 1 49 49 LEU CB C 13 40.543 0.092 . 1 . . . . . 114 LEU CB . 27080 1 227 . 1 1 49 49 LEU N N 15 125.120 0.103 . 1 . . . . . 114 LEU N . 27080 1 228 . 1 1 50 50 MET H H 1 8.099 0.002 . 1 . . . . . 115 MET H . 27080 1 229 . 1 1 50 50 MET C C 13 179.716 0.000 . 1 . . . . . 115 MET C . 27080 1 230 . 1 1 50 50 MET CA C 13 55.831 0.000 . 1 . . . . . 115 MET CA . 27080 1 231 . 1 1 50 50 MET CB C 13 32.444 0.000 . 1 . . . . . 115 MET CB . 27080 1 232 . 1 1 50 50 MET N N 15 117.642 0.000 . 1 . . . . . 115 MET N . 27080 1 233 . 1 1 51 51 GLY H H 1 7.816 0.003 . 1 . . . . . 116 GLY H . 27080 1 234 . 1 1 51 51 GLY C C 13 175.295 0.000 . 1 . . . . . 116 GLY C . 27080 1 235 . 1 1 51 51 GLY CA C 13 45.597 0.005 . 1 . . . . . 116 GLY CA . 27080 1 236 . 1 1 51 51 GLY N N 15 108.823 0.029 . 1 . . . . . 116 GLY N . 27080 1 237 . 1 1 52 52 PHE H H 1 8.028 0.001 . 1 . . . . . 117 PHE H . 27080 1 238 . 1 1 52 52 PHE C C 13 176.112 0.013 . 1 . . . . . 117 PHE C . 27080 1 239 . 1 1 52 52 PHE CA C 13 59.898 0.000 . 1 . . . . . 117 PHE CA . 27080 1 240 . 1 1 52 52 PHE CB C 13 37.655 0.000 . 1 . . . . . 117 PHE CB . 27080 1 241 . 1 1 52 52 PHE N N 15 126.127 0.000 . 1 . . . . . 117 PHE N . 27080 1 242 . 1 1 53 53 VAL H H 1 8.531 0.014 . 1 . . . . . 118 VAL H . 27080 1 243 . 1 1 53 53 VAL C C 13 176.946 0.000 . 1 . . . . . 118 VAL C . 27080 1 244 . 1 1 53 53 VAL CA C 13 66.210 0.013 . 1 . . . . . 118 VAL CA . 27080 1 245 . 1 1 53 53 VAL CB C 13 30.756 0.024 . 1 . . . . . 118 VAL CB . 27080 1 246 . 1 1 53 53 VAL N N 15 120.912 0.056 . 1 . . . . . 118 VAL N . 27080 1 247 . 1 1 54 54 ALA H H 1 7.808 0.006 . 1 . . . . . 119 ALA H . 27080 1 248 . 1 1 54 54 ALA C C 13 180.201 0.000 . 1 . . . . . 119 ALA C . 27080 1 249 . 1 1 54 54 ALA CA C 13 54.017 0.074 . 1 . . . . . 119 ALA CA . 27080 1 250 . 1 1 54 54 ALA CB C 13 16.620 0.096 . 1 . . . . . 119 ALA CB . 27080 1 251 . 1 1 54 54 ALA N N 15 121.596 0.090 . 1 . . . . . 119 ALA N . 27080 1 252 . 1 1 55 55 GLU H H 1 7.701 0.006 . 1 . . . . . 120 GLU H . 27080 1 253 . 1 1 55 55 GLU C C 13 179.235 0.000 . 1 . . . . . 120 GLU C . 27080 1 254 . 1 1 55 55 GLU CA C 13 57.841 0.000 . 1 . . . . . 120 GLU CA . 27080 1 255 . 1 1 55 55 GLU CB C 13 28.025 0.001 . 1 . . . . . 120 GLU CB . 27080 1 256 . 1 1 55 55 GLU N N 15 121.014 0.000 . 1 . . . . . 120 GLU N . 27080 1 257 . 1 1 56 56 GLU H H 1 8.236 0.005 . 1 . . . . . 121 GLU H . 27080 1 258 . 1 1 56 56 GLU C C 13 177.988 0.000 . 1 . . . . . 121 GLU C . 27080 1 259 . 1 1 56 56 GLU CA C 13 59.060 0.000 . 1 . . . . . 121 GLU CA . 27080 1 260 . 1 1 56 56 GLU CB C 13 28.875 0.000 . 1 . . . . . 121 GLU CB . 27080 1 261 . 1 1 56 56 GLU N N 15 122.127 0.061 . 1 . . . . . 121 GLU N . 27080 1 262 . 1 1 57 57 ARG H H 1 10.173 0.001 . 1 . . . . . 122 ARG H . 27080 1 263 . 1 1 57 57 ARG C C 13 177.204 0.000 . 1 . . . . . 122 ARG C . 27080 1 264 . 1 1 57 57 ARG CA C 13 55.847 0.000 . 1 . . . . . 122 ARG CA . 27080 1 265 . 1 1 57 57 ARG CB C 13 28.477 0.000 . 1 . . . . . 122 ARG CB . 27080 1 266 . 1 1 57 57 ARG N N 15 122.732 0.000 . 1 . . . . . 122 ARG N . 27080 1 267 . 1 1 58 58 LYS H H 1 7.371 0.007 . 1 . . . . . 123 LYS H . 27080 1 268 . 1 1 58 58 LYS C C 13 177.328 0.000 . 1 . . . . . 123 LYS C . 27080 1 269 . 1 1 58 58 LYS CA C 13 56.055 0.000 . 1 . . . . . 123 LYS CA . 27080 1 270 . 1 1 58 58 LYS CB C 13 31.169 0.000 . 1 . . . . . 123 LYS CB . 27080 1 271 . 1 1 58 58 LYS N N 15 118.456 0.000 . 1 . . . . . 123 LYS N . 27080 1 272 . 1 1 59 59 HIS H H 1 7.259 0.004 . 1 . . . . . 124 HIS H . 27080 1 273 . 1 1 59 59 HIS C C 13 175.428 0.000 . 1 . . . . . 124 HIS C . 27080 1 274 . 1 1 59 59 HIS CA C 13 55.313 0.020 . 1 . . . . . 124 HIS CA . 27080 1 275 . 1 1 59 59 HIS CB C 13 31.248 0.020 . 1 . . . . . 124 HIS CB . 27080 1 276 . 1 1 59 59 HIS N N 15 116.406 0.000 . 1 . . . . . 124 HIS N . 27080 1 277 . 1 1 60 60 TYR H H 1 8.318 0.005 . 1 . . . . . 125 TYR H . 27080 1 278 . 1 1 60 60 TYR C C 13 174.479 0.000 . 1 . . . . . 125 TYR C . 27080 1 279 . 1 1 60 60 TYR CA C 13 55.650 0.000 . 1 . . . . . 125 TYR CA . 27080 1 280 . 1 1 60 60 TYR CB C 13 34.721 0.000 . 1 . . . . . 125 TYR CB . 27080 1 281 . 1 1 60 60 TYR N N 15 119.789 0.186 . 1 . . . . . 125 TYR N . 27080 1 282 . 1 1 61 61 THR H H 1 8.673 0.010 . 1 . . . . . 126 THR H . 27080 1 283 . 1 1 61 61 THR C C 13 171.961 0.000 . 1 . . . . . 126 THR C . 27080 1 284 . 1 1 61 61 THR CA C 13 62.138 0.156 . 1 . . . . . 126 THR CA . 27080 1 285 . 1 1 61 61 THR CB C 13 67.102 0.047 . 1 . . . . . 126 THR CB . 27080 1 286 . 1 1 61 61 THR N N 15 119.520 0.127 . 1 . . . . . 126 THR N . 27080 1 287 . 1 1 62 62 VAL H H 1 8.069 0.005 . 1 . . . . . 127 VAL H . 27080 1 288 . 1 1 62 62 VAL C C 13 173.297 0.014 . 1 . . . . . 127 VAL C . 27080 1 289 . 1 1 62 62 VAL CA C 13 58.809 0.004 . 1 . . . . . 127 VAL CA . 27080 1 290 . 1 1 62 62 VAL CB C 13 33.818 0.013 . 1 . . . . . 127 VAL CB . 27080 1 291 . 1 1 62 62 VAL N N 15 130.144 0.001 . 1 . . . . . 127 VAL N . 27080 1 292 . 1 1 63 63 TYR H H 1 8.982 0.028 . 1 . . . . . 128 TYR H . 27080 1 293 . 1 1 63 63 TYR CA C 13 51.477 0.044 . 1 . . . . . 128 TYR CA . 27080 1 294 . 1 1 63 63 TYR CB C 13 39.419 0.000 . 1 . . . . . 128 TYR CB . 27080 1 295 . 1 1 63 63 TYR N N 15 128.172 0.148 . 1 . . . . . 128 TYR N . 27080 1 296 . 1 1 66 66 PRO C C 13 178.562 0.000 . 1 . . . . . 131 PRO C . 27080 1 297 . 1 1 66 66 PRO CA C 13 61.198 0.000 . 1 . . . . . 131 PRO CA . 27080 1 298 . 1 1 66 66 PRO CB C 13 31.283 0.000 . 1 . . . . . 131 PRO CB . 27080 1 299 . 1 1 67 67 HIS H H 1 7.890 0.006 . 1 . . . . . 132 HIS H . 27080 1 300 . 1 1 67 67 HIS C C 13 175.892 0.000 . 1 . . . . . 132 HIS C . 27080 1 301 . 1 1 67 67 HIS CA C 13 56.048 0.040 . 1 . . . . . 132 HIS CA . 27080 1 302 . 1 1 67 67 HIS CB C 13 25.247 0.023 . 1 . . . . . 132 HIS CB . 27080 1 303 . 1 1 67 67 HIS N N 15 117.714 0.000 . 1 . . . . . 132 HIS N . 27080 1 304 . 1 1 68 68 GLN H H 1 8.742 0.005 . 1 . . . . . 133 GLN H . 27080 1 305 . 1 1 68 68 GLN C C 13 177.157 0.000 . 1 . . . . . 133 GLN C . 27080 1 306 . 1 1 68 68 GLN CA C 13 52.092 0.000 . 1 . . . . . 133 GLN CA . 27080 1 307 . 1 1 68 68 GLN CB C 13 29.894 0.000 . 1 . . . . . 133 GLN CB . 27080 1 308 . 1 1 68 68 GLN N N 15 117.323 0.003 . 1 . . . . . 133 GLN N . 27080 1 309 . 1 1 69 69 VAL H H 1 7.509 0.002 . 1 . . . . . 134 VAL H . 27080 1 310 . 1 1 69 69 VAL C C 13 175.436 0.000 . 1 . . . . . 134 VAL C . 27080 1 311 . 1 1 69 69 VAL CA C 13 65.987 0.000 . 1 . . . . . 134 VAL CA . 27080 1 312 . 1 1 69 69 VAL CB C 13 35.292 0.000 . 1 . . . . . 134 VAL CB . 27080 1 313 . 1 1 69 69 VAL N N 15 125.898 0.000 . 1 . . . . . 134 VAL N . 27080 1 314 . 1 1 70 70 PHE H H 1 8.339 0.006 . 1 . . . . . 135 PHE H . 27080 1 315 . 1 1 70 70 PHE C C 13 177.787 0.000 . 1 . . . . . 135 PHE C . 27080 1 316 . 1 1 70 70 PHE CA C 13 55.969 0.000 . 1 . . . . . 135 PHE CA . 27080 1 317 . 1 1 70 70 PHE CB C 13 35.204 0.000 . 1 . . . . . 135 PHE CB . 27080 1 318 . 1 1 70 70 PHE N N 15 119.003 0.224 . 1 . . . . . 135 PHE N . 27080 1 319 . 1 1 71 71 THR H H 1 7.311 0.001 . 1 . . . . . 136 THR H . 27080 1 320 . 1 1 71 71 THR C C 13 174.047 0.000 . 1 . . . . . 136 THR C . 27080 1 321 . 1 1 71 71 THR CA C 13 64.951 0.000 . 1 . . . . . 136 THR CA . 27080 1 322 . 1 1 71 71 THR CB C 13 68.027 0.000 . 1 . . . . . 136 THR CB . 27080 1 323 . 1 1 71 71 THR N N 15 120.416 0.004 . 1 . . . . . 136 THR N . 27080 1 324 . 1 1 72 72 TRP H H 1 6.910 0.004 . 1 . . . . . 137 TRP H . 27080 1 325 . 1 1 72 72 TRP C C 13 175.177 0.000 . 1 . . . . . 137 TRP C . 27080 1 326 . 1 1 72 72 TRP CA C 13 54.730 0.026 . 1 . . . . . 137 TRP CA . 27080 1 327 . 1 1 72 72 TRP CB C 13 25.240 0.000 . 1 . . . . . 137 TRP CB . 27080 1 328 . 1 1 72 72 TRP N N 15 116.942 0.009 . 1 . . . . . 137 TRP N . 27080 1 329 . 1 1 73 73 THR H H 1 6.785 0.000 . 1 . . . . . 138 THR H . 27080 1 330 . 1 1 73 73 THR C C 13 174.053 0.000 . 1 . . . . . 138 THR C . 27080 1 331 . 1 1 73 73 THR CA C 13 60.258 0.019 . 1 . . . . . 138 THR CA . 27080 1 332 . 1 1 73 73 THR CB C 13 68.757 0.084 . 1 . . . . . 138 THR CB . 27080 1 333 . 1 1 73 73 THR N N 15 110.979 0.049 . 1 . . . . . 138 THR N . 27080 1 334 . 1 1 74 74 GLN H H 1 7.404 0.004 . 1 . . . . . 139 GLN H . 27080 1 335 . 1 1 74 74 GLN C C 13 176.846 0.000 . 1 . . . . . 139 GLN C . 27080 1 336 . 1 1 74 74 GLN CA C 13 56.077 0.000 . 1 . . . . . 139 GLN CA . 27080 1 337 . 1 1 74 74 GLN CB C 13 28.723 0.069 . 1 . . . . . 139 GLN CB . 27080 1 338 . 1 1 74 74 GLN N N 15 119.398 0.028 . 1 . . . . . 139 GLN N . 27080 1 339 . 1 1 75 75 MET H H 1 7.101 0.004 . 1 . . . . . 140 MET H . 27080 1 340 . 1 1 75 75 MET C C 13 174.694 0.000 . 1 . . . . . 140 MET C . 27080 1 341 . 1 1 75 75 MET CA C 13 54.613 0.061 . 1 . . . . . 140 MET CA . 27080 1 342 . 1 1 75 75 MET CB C 13 32.452 0.061 . 1 . . . . . 140 MET CB . 27080 1 343 . 1 1 75 75 MET N N 15 116.309 0.002 . 1 . . . . . 140 MET N . 27080 1 344 . 1 1 76 76 CYS H H 1 7.507 0.003 . 1 . . . . . 141 CYS H . 27080 1 345 . 1 1 76 76 CYS C C 13 171.820 0.000 . 1 . . . . . 141 CYS C . 27080 1 346 . 1 1 76 76 CYS CA C 13 54.495 0.000 . 1 . . . . . 141 CYS CA . 27080 1 347 . 1 1 76 76 CYS CB C 13 28.946 0.000 . 1 . . . . . 141 CYS CB . 27080 1 348 . 1 1 76 76 CYS N N 15 112.480 0.000 . 1 . . . . . 141 CYS N . 27080 1 349 . 1 1 77 77 ASP H H 1 9.089 0.006 . 1 . . . . . 142 ASP H . 27080 1 350 . 1 1 77 77 ASP C C 13 176.088 0.000 . 1 . . . . . 142 ASP C . 27080 1 351 . 1 1 77 77 ASP CA C 13 52.975 0.019 . 1 . . . . . 142 ASP CA . 27080 1 352 . 1 1 77 77 ASP CB C 13 41.595 0.048 . 1 . . . . . 142 ASP CB . 27080 1 353 . 1 1 77 77 ASP N N 15 126.002 0.102 . 1 . . . . . 142 ASP N . 27080 1 354 . 1 1 78 78 ILE H H 1 7.321 0.001 . 1 . . . . . 143 ILE H . 27080 1 355 . 1 1 78 78 ILE C C 13 170.389 0.000 . 1 . . . . . 143 ILE C . 27080 1 356 . 1 1 78 78 ILE CA C 13 63.627 0.000 . 1 . . . . . 143 ILE CA . 27080 1 357 . 1 1 78 78 ILE CB C 13 35.903 0.000 . 1 . . . . . 143 ILE CB . 27080 1 358 . 1 1 78 78 ILE N N 15 132.235 0.004 . 1 . . . . . 143 ILE N . 27080 1 359 . 1 1 79 79 LYS H H 1 8.696 0.002 . 1 . . . . . 144 LYS H . 27080 1 360 . 1 1 79 79 LYS C C 13 175.427 0.000 . 1 . . . . . 144 LYS C . 27080 1 361 . 1 1 79 79 LYS CA C 13 56.293 0.000 . 1 . . . . . 144 LYS CA . 27080 1 362 . 1 1 79 79 LYS CB C 13 30.517 0.000 . 1 . . . . . 144 LYS CB . 27080 1 363 . 1 1 79 79 LYS N N 15 121.016 0.000 . 1 . . . . . 144 LYS N . 27080 1 364 . 1 1 80 80 ASP H H 1 7.843 0.002 . 1 . . . . . 145 ASP H . 27080 1 365 . 1 1 80 80 ASP C C 13 175.934 0.000 . 1 . . . . . 145 ASP C . 27080 1 366 . 1 1 80 80 ASP CA C 13 54.073 0.002 . 1 . . . . . 145 ASP CA . 27080 1 367 . 1 1 80 80 ASP CB C 13 41.781 0.000 . 1 . . . . . 145 ASP CB . 27080 1 368 . 1 1 80 80 ASP N N 15 122.480 0.000 . 1 . . . . . 145 ASP N . 27080 1 369 . 1 1 81 81 VAL H H 1 7.358 0.001 . 1 . . . . . 146 VAL H . 27080 1 370 . 1 1 81 81 VAL C C 13 175.709 0.000 . 1 . . . . . 146 VAL C . 27080 1 371 . 1 1 81 81 VAL CA C 13 60.201 0.000 . 1 . . . . . 146 VAL CA . 27080 1 372 . 1 1 81 81 VAL CB C 13 31.488 0.000 . 1 . . . . . 146 VAL CB . 27080 1 373 . 1 1 81 81 VAL N N 15 119.246 0.000 . 1 . . . . . 146 VAL N . 27080 1 374 . 1 1 82 82 LYS H H 1 8.075 0.001 . 1 . . . . . 147 LYS H . 27080 1 375 . 1 1 82 82 LYS C C 13 176.087 0.000 . 1 . . . . . 147 LYS C . 27080 1 376 . 1 1 82 82 LYS CA C 13 57.893 0.000 . 1 . . . . . 147 LYS CA . 27080 1 377 . 1 1 82 82 LYS CB C 13 34.028 0.000 . 1 . . . . . 147 LYS CB . 27080 1 378 . 1 1 82 82 LYS N N 15 130.255 0.000 . 1 . . . . . 147 LYS N . 27080 1 379 . 1 1 83 83 VAL H H 1 8.760 0.003 . 1 . . . . . 148 VAL H . 27080 1 380 . 1 1 83 83 VAL C C 13 179.259 0.000 . 1 . . . . . 148 VAL C . 27080 1 381 . 1 1 83 83 VAL CA C 13 60.245 0.000 . 1 . . . . . 148 VAL CA . 27080 1 382 . 1 1 83 83 VAL CB C 13 30.644 0.012 . 1 . . . . . 148 VAL CB . 27080 1 383 . 1 1 83 83 VAL N N 15 124.543 0.000 . 1 . . . . . 148 VAL N . 27080 1 384 . 1 1 84 84 VAL H H 1 8.599 0.002 . 1 . . . . . 149 VAL H . 27080 1 385 . 1 1 84 84 VAL C C 13 174.079 0.000 . 1 . . . . . 149 VAL C . 27080 1 386 . 1 1 84 84 VAL CA C 13 58.796 0.000 . 1 . . . . . 149 VAL CA . 27080 1 387 . 1 1 84 84 VAL CB C 13 34.224 0.000 . 1 . . . . . 149 VAL CB . 27080 1 388 . 1 1 84 84 VAL N N 15 115.508 0.000 . 1 . . . . . 149 VAL N . 27080 1 389 . 1 1 85 85 ILE H H 1 7.470 0.002 . 1 . . . . . 150 ILE H . 27080 1 390 . 1 1 85 85 ILE C C 13 175.614 0.000 . 1 . . . . . 150 ILE C . 27080 1 391 . 1 1 85 85 ILE CA C 13 64.024 0.027 . 1 . . . . . 150 ILE CA . 27080 1 392 . 1 1 85 85 ILE CB C 13 37.304 0.000 . 1 . . . . . 150 ILE CB . 27080 1 393 . 1 1 85 85 ILE N N 15 122.444 0.022 . 1 . . . . . 150 ILE N . 27080 1 394 . 1 1 86 86 LEU H H 1 8.985 0.001 . 1 . . . . . 151 LEU H . 27080 1 395 . 1 1 86 86 LEU C C 13 173.486 0.000 . 1 . . . . . 151 LEU C . 27080 1 396 . 1 1 86 86 LEU CA C 13 52.894 0.082 . 1 . . . . . 151 LEU CA . 27080 1 397 . 1 1 86 86 LEU CB C 13 40.249 0.000 . 1 . . . . . 151 LEU CB . 27080 1 398 . 1 1 86 86 LEU N N 15 129.871 0.008 . 1 . . . . . 151 LEU N . 27080 1 399 . 1 1 87 87 GLY H H 1 8.042 0.001 . 1 . . . . . 152 GLY H . 27080 1 400 . 1 1 87 87 GLY C C 13 174.458 0.000 . 1 . . . . . 152 GLY C . 27080 1 401 . 1 1 87 87 GLY CA C 13 45.397 0.094 . 1 . . . . . 152 GLY CA . 27080 1 402 . 1 1 87 87 GLY N N 15 114.754 0.000 . 1 . . . . . 152 GLY N . 27080 1 403 . 1 1 88 88 GLN H H 1 7.726 0.001 . 1 . . . . . 153 GLN H . 27080 1 404 . 1 1 88 88 GLN C C 13 171.305 0.000 . 1 . . . . . 153 GLN C . 27080 1 405 . 1 1 88 88 GLN CA C 13 55.997 0.105 . 1 . . . . . 153 GLN CA . 27080 1 406 . 1 1 88 88 GLN CB C 13 27.658 0.032 . 1 . . . . . 153 GLN CB . 27080 1 407 . 1 1 88 88 GLN N N 15 121.895 0.000 . 1 . . . . . 153 GLN N . 27080 1 408 . 1 1 89 89 ASP H H 1 7.541 0.001 . 1 . . . . . 154 ASP H . 27080 1 409 . 1 1 89 89 ASP CA C 13 49.963 0.000 . 1 . . . . . 154 ASP CA . 27080 1 410 . 1 1 89 89 ASP CB C 13 42.236 0.000 . 1 . . . . . 154 ASP CB . 27080 1 411 . 1 1 89 89 ASP N N 15 121.962 0.002 . 1 . . . . . 154 ASP N . 27080 1 412 . 1 1 90 90 PRO C C 13 175.013 0.000 . 1 . . . . . 155 PRO C . 27080 1 413 . 1 1 90 90 PRO CA C 13 60.015 0.000 . 1 . . . . . 155 PRO CA . 27080 1 414 . 1 1 90 90 PRO CB C 13 29.286 0.000 . 1 . . . . . 155 PRO CB . 27080 1 415 . 1 1 91 91 TYR H H 1 6.861 0.003 . 1 . . . . . 156 TYR H . 27080 1 416 . 1 1 91 91 TYR C C 13 174.485 0.000 . 1 . . . . . 156 TYR C . 27080 1 417 . 1 1 91 91 TYR CA C 13 56.974 0.000 . 1 . . . . . 156 TYR CA . 27080 1 418 . 1 1 91 91 TYR CB C 13 39.162 0.000 . 1 . . . . . 156 TYR CB . 27080 1 419 . 1 1 91 91 TYR N N 15 119.237 0.045 . 1 . . . . . 156 TYR N . 27080 1 420 . 1 1 92 92 HIS H H 1 7.859 0.011 . 1 . . . . . 157 HIS H . 27080 1 421 . 1 1 92 92 HIS C C 13 174.616 0.000 . 1 . . . . . 157 HIS C . 27080 1 422 . 1 1 92 92 HIS CA C 13 53.552 0.000 . 1 . . . . . 157 HIS CA . 27080 1 423 . 1 1 92 92 HIS CB C 13 54.006 0.000 . 1 . . . . . 157 HIS CB . 27080 1 424 . 1 1 92 92 HIS N N 15 117.168 0.074 . 1 . . . . . 157 HIS N . 27080 1 425 . 1 1 93 93 GLY H H 1 7.296 0.003 . 1 . . . . . 158 GLY H . 27080 1 426 . 1 1 93 93 GLY CA C 13 42.051 0.000 . 1 . . . . . 158 GLY CA . 27080 1 427 . 1 1 93 93 GLY N N 15 110.403 0.000 . 1 . . . . . 158 GLY N . 27080 1 428 . 1 1 94 94 PRO C C 13 176.807 0.000 . 1 . . . . . 159 PRO C . 27080 1 429 . 1 1 94 94 PRO CA C 13 64.618 0.000 . 1 . . . . . 159 PRO CA . 27080 1 430 . 1 1 94 94 PRO CB C 13 31.036 0.000 . 1 . . . . . 159 PRO CB . 27080 1 431 . 1 1 95 95 ASN H H 1 8.316 0.008 . 1 . . . . . 160 ASN H . 27080 1 432 . 1 1 95 95 ASN C C 13 172.998 0.000 . 1 . . . . . 160 ASN C . 27080 1 433 . 1 1 95 95 ASN CA C 13 53.781 0.033 . 1 . . . . . 160 ASN CA . 27080 1 434 . 1 1 95 95 ASN CB C 13 36.282 0.053 . 1 . . . . . 160 ASN CB . 27080 1 435 . 1 1 95 95 ASN N N 15 113.526 0.000 . 1 . . . . . 160 ASN N . 27080 1 436 . 1 1 96 96 GLN H H 1 6.498 0.009 . 1 . . . . . 161 GLN H . 27080 1 437 . 1 1 96 96 GLN C C 13 174.905 0.000 . 1 . . . . . 161 GLN C . 27080 1 438 . 1 1 96 96 GLN CA C 13 57.129 0.055 . 1 . . . . . 161 GLN CA . 27080 1 439 . 1 1 96 96 GLN CB C 13 28.717 0.065 . 1 . . . . . 161 GLN CB . 27080 1 440 . 1 1 96 96 GLN N N 15 116.154 0.017 . 1 . . . . . 161 GLN N . 27080 1 441 . 1 1 97 97 ALA H H 1 9.103 0.003 . 1 . . . . . 162 ALA H . 27080 1 442 . 1 1 97 97 ALA C C 13 179.254 0.000 . 1 . . . . . 162 ALA C . 27080 1 443 . 1 1 97 97 ALA CA C 13 50.874 0.085 . 1 . . . . . 162 ALA CA . 27080 1 444 . 1 1 97 97 ALA CB C 13 18.649 0.065 . 1 . . . . . 162 ALA CB . 27080 1 445 . 1 1 97 97 ALA N N 15 121.135 0.023 . 1 . . . . . 162 ALA N . 27080 1 446 . 1 1 98 98 HIS H H 1 9.124 0.002 . 1 . . . . . 163 HIS H . 27080 1 447 . 1 1 98 98 HIS C C 13 173.652 0.000 . 1 . . . . . 163 HIS C . 27080 1 448 . 1 1 98 98 HIS CA C 13 54.078 0.042 . 1 . . . . . 163 HIS CA . 27080 1 449 . 1 1 98 98 HIS CB C 13 27.519 0.145 . 1 . . . . . 163 HIS CB . 27080 1 450 . 1 1 98 98 HIS N N 15 117.961 0.064 . 1 . . . . . 163 HIS N . 27080 1 451 . 1 1 99 99 GLY H H 1 8.296 0.004 . 1 . . . . . 164 GLY H . 27080 1 452 . 1 1 99 99 GLY C C 13 175.086 0.000 . 1 . . . . . 164 GLY C . 27080 1 453 . 1 1 99 99 GLY CA C 13 45.622 0.007 . 1 . . . . . 164 GLY CA . 27080 1 454 . 1 1 99 99 GLY N N 15 110.377 0.100 . 1 . . . . . 164 GLY N . 27080 1 455 . 1 1 100 100 LEU H H 1 10.488 0.001 . 1 . . . . . 165 LEU H . 27080 1 456 . 1 1 100 100 LEU C C 13 176.970 0.000 . 1 . . . . . 165 LEU C . 27080 1 457 . 1 1 100 100 LEU CA C 13 53.895 0.000 . 1 . . . . . 165 LEU CA . 27080 1 458 . 1 1 100 100 LEU CB C 13 40.961 0.000 . 1 . . . . . 165 LEU CB . 27080 1 459 . 1 1 100 100 LEU N N 15 124.381 0.000 . 1 . . . . . 165 LEU N . 27080 1 460 . 1 1 101 101 CYS H H 1 8.078 0.004 . 1 . . . . . 166 CYS H . 27080 1 461 . 1 1 101 101 CYS C C 13 173.976 0.000 . 1 . . . . . 166 CYS C . 27080 1 462 . 1 1 101 101 CYS CA C 13 57.883 0.000 . 1 . . . . . 166 CYS CA . 27080 1 463 . 1 1 101 101 CYS CB C 13 27.506 0.000 . 1 . . . . . 166 CYS CB . 27080 1 464 . 1 1 101 101 CYS N N 15 119.692 0.000 . 1 . . . . . 166 CYS N . 27080 1 465 . 1 1 102 102 PHE H H 1 8.168 0.003 . 1 . . . . . 167 PHE H . 27080 1 466 . 1 1 102 102 PHE C C 13 176.115 0.000 . 1 . . . . . 167 PHE C . 27080 1 467 . 1 1 102 102 PHE CA C 13 52.511 0.000 . 1 . . . . . 167 PHE CA . 27080 1 468 . 1 1 102 102 PHE CB C 13 39.793 0.000 . 1 . . . . . 167 PHE CB . 27080 1 469 . 1 1 102 102 PHE N N 15 123.376 0.000 . 1 . . . . . 167 PHE N . 27080 1 470 . 1 1 103 103 SER H H 1 7.448 0.004 . 1 . . . . . 168 SER H . 27080 1 471 . 1 1 103 103 SER C C 13 174.206 0.000 . 1 . . . . . 168 SER C . 27080 1 472 . 1 1 103 103 SER CA C 13 57.267 0.000 . 1 . . . . . 168 SER CA . 27080 1 473 . 1 1 103 103 SER CB C 13 62.874 0.000 . 1 . . . . . 168 SER CB . 27080 1 474 . 1 1 103 103 SER N N 15 113.516 0.000 . 1 . . . . . 168 SER N . 27080 1 475 . 1 1 104 104 VAL H H 1 8.888 0.002 . 1 . . . . . 169 VAL H . 27080 1 476 . 1 1 104 104 VAL C C 13 175.714 0.000 . 1 . . . . . 169 VAL C . 27080 1 477 . 1 1 104 104 VAL CA C 13 56.488 0.119 . 1 . . . . . 169 VAL CA . 27080 1 478 . 1 1 104 104 VAL CB C 13 34.859 0.061 . 1 . . . . . 169 VAL CB . 27080 1 479 . 1 1 104 104 VAL N N 15 121.988 0.056 . 1 . . . . . 169 VAL N . 27080 1 480 . 1 1 105 105 GLN H H 1 8.484 0.003 . 1 . . . . . 170 GLN H . 27080 1 481 . 1 1 105 105 GLN C C 13 177.197 0.000 . 1 . . . . . 170 GLN C . 27080 1 482 . 1 1 105 105 GLN CA C 13 55.688 0.000 . 1 . . . . . 170 GLN CA . 27080 1 483 . 1 1 105 105 GLN CB C 13 28.719 0.000 . 1 . . . . . 170 GLN CB . 27080 1 484 . 1 1 105 105 GLN N N 15 127.272 0.034 . 1 . . . . . 170 GLN N . 27080 1 485 . 1 1 106 106 ARG H H 1 7.351 0.005 . 1 . . . . . 171 ARG H . 27080 1 486 . 1 1 106 106 ARG CA C 13 55.760 0.000 . 1 . . . . . 171 ARG CA . 27080 1 487 . 1 1 106 106 ARG CB C 13 31.849 0.000 . 1 . . . . . 171 ARG CB . 27080 1 488 . 1 1 106 106 ARG N N 15 118.284 0.045 . 1 . . . . . 171 ARG N . 27080 1 489 . 1 1 107 107 PRO C C 13 174.767 0.000 . 1 . . . . . 172 PRO C . 27080 1 490 . 1 1 107 107 PRO CA C 13 62.380 0.000 . 1 . . . . . 172 PRO CA . 27080 1 491 . 1 1 107 107 PRO CB C 13 30.862 0.000 . 1 . . . . . 172 PRO CB . 27080 1 492 . 1 1 108 108 VAL H H 1 8.790 0.016 . 1 . . . . . 173 VAL H . 27080 1 493 . 1 1 108 108 VAL CA C 13 60.822 0.000 . 1 . . . . . 173 VAL CA . 27080 1 494 . 1 1 108 108 VAL CB C 13 30.527 0.000 . 1 . . . . . 173 VAL CB . 27080 1 495 . 1 1 108 108 VAL N N 15 131.371 0.001 . 1 . . . . . 173 VAL N . 27080 1 496 . 1 1 112 112 PRO C C 13 175.223 0.000 . 1 . . . . . 177 PRO C . 27080 1 497 . 1 1 112 112 PRO CA C 13 66.101 0.000 . 1 . . . . . 177 PRO CA . 27080 1 498 . 1 1 112 112 PRO CB C 13 30.505 0.000 . 1 . . . . . 177 PRO CB . 27080 1 499 . 1 1 113 113 SER H H 1 7.856 0.001 . 1 . . . . . 178 SER H . 27080 1 500 . 1 1 113 113 SER C C 13 174.996 0.000 . 1 . . . . . 178 SER C . 27080 1 501 . 1 1 113 113 SER CA C 13 66.952 0.000 . 1 . . . . . 178 SER CA . 27080 1 502 . 1 1 113 113 SER CB C 13 68.147 0.000 . 1 . . . . . 178 SER CB . 27080 1 503 . 1 1 113 113 SER N N 15 120.351 0.000 . 1 . . . . . 178 SER N . 27080 1 504 . 1 1 114 114 LEU H H 1 7.396 0.002 . 1 . . . . . 179 LEU H . 27080 1 505 . 1 1 114 114 LEU C C 13 175.756 0.000 . 1 . . . . . 179 LEU C . 27080 1 506 . 1 1 114 114 LEU CA C 13 56.763 0.000 . 1 . . . . . 179 LEU CA . 27080 1 507 . 1 1 114 114 LEU CB C 13 46.556 0.000 . 1 . . . . . 179 LEU CB . 27080 1 508 . 1 1 114 114 LEU N N 15 112.791 0.022 . 1 . . . . . 179 LEU N . 27080 1 509 . 1 1 115 115 GLU H H 1 7.663 0.002 . 1 . . . . . 180 GLU H . 27080 1 510 . 1 1 115 115 GLU C C 13 179.831 0.000 . 1 . . . . . 180 GLU C . 27080 1 511 . 1 1 115 115 GLU CA C 13 56.551 0.000 . 1 . . . . . 180 GLU CA . 27080 1 512 . 1 1 115 115 GLU CB C 13 24.613 0.000 . 1 . . . . . 180 GLU CB . 27080 1 513 . 1 1 115 115 GLU N N 15 125.183 0.000 . 1 . . . . . 180 GLU N . 27080 1 514 . 1 1 116 116 ASN H H 1 7.643 0.001 . 1 . . . . . 181 ASN H . 27080 1 515 . 1 1 116 116 ASN C C 13 177.664 0.000 . 1 . . . . . 181 ASN C . 27080 1 516 . 1 1 116 116 ASN CA C 13 53.686 0.054 . 1 . . . . . 181 ASN CA . 27080 1 517 . 1 1 116 116 ASN CB C 13 35.849 0.000 . 1 . . . . . 181 ASN CB . 27080 1 518 . 1 1 116 116 ASN N N 15 119.710 0.017 . 1 . . . . . 181 ASN N . 27080 1 519 . 1 1 117 117 ILE H H 1 7.370 0.001 . 1 . . . . . 182 ILE H . 27080 1 520 . 1 1 117 117 ILE C C 13 172.920 0.000 . 1 . . . . . 182 ILE C . 27080 1 521 . 1 1 117 117 ILE CA C 13 66.954 0.000 . 1 . . . . . 182 ILE CA . 27080 1 522 . 1 1 117 117 ILE CB C 13 30.401 0.000 . 1 . . . . . 182 ILE CB . 27080 1 523 . 1 1 117 117 ILE N N 15 114.449 0.000 . 1 . . . . . 182 ILE N . 27080 1 524 . 1 1 118 118 TYR H H 1 9.009 0.006 . 1 . . . . . 183 TYR H . 27080 1 525 . 1 1 118 118 TYR C C 13 173.274 0.000 . 1 . . . . . 183 TYR C . 27080 1 526 . 1 1 118 118 TYR CA C 13 57.688 0.000 . 1 . . . . . 183 TYR CA . 27080 1 527 . 1 1 118 118 TYR CB C 13 38.103 0.000 . 1 . . . . . 183 TYR CB . 27080 1 528 . 1 1 118 118 TYR N N 15 128.736 0.040 . 1 . . . . . 183 TYR N . 27080 1 529 . 1 1 119 119 LYS H H 1 8.480 0.002 . 1 . . . . . 184 LYS H . 27080 1 530 . 1 1 119 119 LYS C C 13 179.036 0.000 . 1 . . . . . 184 LYS C . 27080 1 531 . 1 1 119 119 LYS CA C 13 58.440 0.022 . 1 . . . . . 184 LYS CA . 27080 1 532 . 1 1 119 119 LYS CB C 13 31.113 0.068 . 1 . . . . . 184 LYS CB . 27080 1 533 . 1 1 119 119 LYS N N 15 124.441 0.042 . 1 . . . . . 184 LYS N . 27080 1 534 . 1 1 120 120 GLU H H 1 8.210 0.003 . 1 . . . . . 185 GLU H . 27080 1 535 . 1 1 120 120 GLU C C 13 178.498 0.000 . 1 . . . . . 185 GLU C . 27080 1 536 . 1 1 120 120 GLU CA C 13 57.426 0.000 . 1 . . . . . 185 GLU CA . 27080 1 537 . 1 1 120 120 GLU CB C 13 28.768 0.000 . 1 . . . . . 185 GLU CB . 27080 1 538 . 1 1 120 120 GLU N N 15 124.559 0.045 . 1 . . . . . 185 GLU N . 27080 1 539 . 1 1 121 121 LEU H H 1 8.166 0.003 . 1 . . . . . 186 LEU H . 27080 1 540 . 1 1 121 121 LEU C C 13 177.550 0.000 . 1 . . . . . 186 LEU C . 27080 1 541 . 1 1 121 121 LEU CA C 13 58.190 0.040 . 1 . . . . . 186 LEU CA . 27080 1 542 . 1 1 121 121 LEU CB C 13 39.919 0.039 . 1 . . . . . 186 LEU CB . 27080 1 543 . 1 1 121 121 LEU N N 15 122.920 0.107 . 1 . . . . . 186 LEU N . 27080 1 544 . 1 1 122 122 SER H H 1 7.788 0.004 . 1 . . . . . 187 SER H . 27080 1 545 . 1 1 122 122 SER C C 13 175.488 0.000 . 1 . . . . . 187 SER C . 27080 1 546 . 1 1 122 122 SER CA C 13 60.179 0.000 . 1 . . . . . 187 SER CA . 27080 1 547 . 1 1 122 122 SER CB C 13 62.102 0.015 . 1 . . . . . 187 SER CB . 27080 1 548 . 1 1 122 122 SER N N 15 112.132 0.000 . 1 . . . . . 187 SER N . 27080 1 549 . 1 1 123 123 THR H H 1 7.398 0.002 . 1 . . . . . 188 THR H . 27080 1 550 . 1 1 123 123 THR C C 13 174.462 0.000 . 1 . . . . . 188 THR C . 27080 1 551 . 1 1 123 123 THR CA C 13 60.607 0.000 . 1 . . . . . 188 THR CA . 27080 1 552 . 1 1 123 123 THR CB C 13 68.104 0.000 . 1 . . . . . 188 THR CB . 27080 1 553 . 1 1 123 123 THR N N 15 112.773 0.021 . 1 . . . . . 188 THR N . 27080 1 554 . 1 1 124 124 ASP H H 1 8.244 0.001 . 1 . . . . . 189 ASP H . 27080 1 555 . 1 1 124 124 ASP C C 13 174.757 0.000 . 1 . . . . . 189 ASP C . 27080 1 556 . 1 1 124 124 ASP CA C 13 55.221 0.000 . 1 . . . . . 189 ASP CA . 27080 1 557 . 1 1 124 124 ASP CB C 13 44.412 0.000 . 1 . . . . . 189 ASP CB . 27080 1 558 . 1 1 124 124 ASP N N 15 125.273 0.000 . 1 . . . . . 189 ASP N . 27080 1 559 . 1 1 125 125 ILE H H 1 9.013 0.002 . 1 . . . . . 190 ILE H . 27080 1 560 . 1 1 125 125 ILE C C 13 175.443 0.000 . 1 . . . . . 190 ILE C . 27080 1 561 . 1 1 125 125 ILE CA C 13 65.810 0.000 . 1 . . . . . 190 ILE CA . 27080 1 562 . 1 1 125 125 ILE CB C 13 38.734 0.000 . 1 . . . . . 190 ILE CB . 27080 1 563 . 1 1 125 125 ILE N N 15 127.066 0.000 . 1 . . . . . 190 ILE N . 27080 1 564 . 1 1 126 126 GLU H H 1 7.049 0.002 . 1 . . . . . 191 GLU H . 27080 1 565 . 1 1 126 126 GLU C C 13 177.324 0.000 . 1 . . . . . 191 GLU C . 27080 1 566 . 1 1 126 126 GLU CA C 13 58.501 0.000 . 1 . . . . . 191 GLU CA . 27080 1 567 . 1 1 126 126 GLU CB C 13 27.446 0.000 . 1 . . . . . 191 GLU CB . 27080 1 568 . 1 1 126 126 GLU N N 15 123.692 0.000 . 1 . . . . . 191 GLU N . 27080 1 569 . 1 1 127 127 ASP H H 1 7.667 0.008 . 1 . . . . . 192 ASP H . 27080 1 570 . 1 1 127 127 ASP C C 13 174.624 0.000 . 1 . . . . . 192 ASP C . 27080 1 571 . 1 1 127 127 ASP CA C 13 52.704 0.000 . 1 . . . . . 192 ASP CA . 27080 1 572 . 1 1 127 127 ASP CB C 13 40.947 0.000 . 1 . . . . . 192 ASP CB . 27080 1 573 . 1 1 127 127 ASP N N 15 119.146 0.012 . 1 . . . . . 192 ASP N . 27080 1 574 . 1 1 128 128 PHE H H 1 7.845 0.003 . 1 . . . . . 193 PHE H . 27080 1 575 . 1 1 128 128 PHE C C 13 170.877 0.000 . 1 . . . . . 193 PHE C . 27080 1 576 . 1 1 128 128 PHE CA C 13 59.827 0.000 . 1 . . . . . 193 PHE CA . 27080 1 577 . 1 1 128 128 PHE CB C 13 38.758 0.031 . 1 . . . . . 193 PHE CB . 27080 1 578 . 1 1 128 128 PHE N N 15 121.327 0.014 . 1 . . . . . 193 PHE N . 27080 1 579 . 1 1 129 129 VAL H H 1 6.158 0.002 . 1 . . . . . 194 VAL H . 27080 1 580 . 1 1 129 129 VAL C C 13 172.736 0.000 . 1 . . . . . 194 VAL C . 27080 1 581 . 1 1 129 129 VAL CA C 13 58.669 0.027 . 1 . . . . . 194 VAL CA . 27080 1 582 . 1 1 129 129 VAL CB C 13 33.539 0.031 . 1 . . . . . 194 VAL CB . 27080 1 583 . 1 1 129 129 VAL N N 15 127.990 0.000 . 1 . . . . . 194 VAL N . 27080 1 584 . 1 1 130 130 HIS H H 1 8.262 0.001 . 1 . . . . . 195 HIS H . 27080 1 585 . 1 1 130 130 HIS CA C 13 52.990 0.000 . 1 . . . . . 195 HIS CA . 27080 1 586 . 1 1 130 130 HIS CB C 13 29.690 0.000 . 1 . . . . . 195 HIS CB . 27080 1 587 . 1 1 130 130 HIS N N 15 128.982 0.000 . 1 . . . . . 195 HIS N . 27080 1 588 . 1 1 131 131 PRO C C 13 177.715 0.000 . 1 . . . . . 196 PRO C . 27080 1 589 . 1 1 131 131 PRO CA C 13 62.337 0.000 . 1 . . . . . 196 PRO CA . 27080 1 590 . 1 1 131 131 PRO CB C 13 30.254 0.000 . 1 . . . . . 196 PRO CB . 27080 1 591 . 1 1 132 132 GLY H H 1 10.956 0.020 . 1 . . . . . 197 GLY H . 27080 1 592 . 1 1 132 132 GLY C C 13 172.512 0.000 . 1 . . . . . 197 GLY C . 27080 1 593 . 1 1 132 132 GLY CA C 13 43.611 0.000 . 1 . . . . . 197 GLY CA . 27080 1 594 . 1 1 132 132 GLY N N 15 115.466 0.033 . 1 . . . . . 197 GLY N . 27080 1 595 . 1 1 133 133 HIS H H 1 7.125 0.003 . 1 . . . . . 198 HIS H . 27080 1 596 . 1 1 133 133 HIS C C 13 172.897 0.000 . 1 . . . . . 198 HIS C . 27080 1 597 . 1 1 133 133 HIS CA C 13 53.450 0.045 . 1 . . . . . 198 HIS CA . 27080 1 598 . 1 1 133 133 HIS CB C 13 31.284 0.023 . 1 . . . . . 198 HIS CB . 27080 1 599 . 1 1 133 133 HIS N N 15 115.693 0.028 . 1 . . . . . 198 HIS N . 27080 1 600 . 1 1 134 134 GLY H H 1 10.003 0.001 . 1 . . . . . 199 GLY H . 27080 1 601 . 1 1 134 134 GLY C C 13 178.669 0.000 . 1 . . . . . 199 GLY C . 27080 1 602 . 1 1 134 134 GLY CA C 13 44.455 0.026 . 1 . . . . . 199 GLY CA . 27080 1 603 . 1 1 134 134 GLY N N 15 113.137 0.000 . 1 . . . . . 199 GLY N . 27080 1 604 . 1 1 135 135 ASP H H 1 7.949 0.002 . 1 . . . . . 200 ASP H . 27080 1 605 . 1 1 135 135 ASP C C 13 173.675 0.000 . 1 . . . . . 200 ASP C . 27080 1 606 . 1 1 135 135 ASP CA C 13 53.037 0.022 . 1 . . . . . 200 ASP CA . 27080 1 607 . 1 1 135 135 ASP CB C 13 41.475 0.000 . 1 . . . . . 200 ASP CB . 27080 1 608 . 1 1 135 135 ASP N N 15 121.491 0.004 . 1 . . . . . 200 ASP N . 27080 1 609 . 1 1 136 136 LEU H H 1 8.689 0.001 . 1 . . . . . 201 LEU H . 27080 1 610 . 1 1 136 136 LEU C C 13 178.810 0.000 . 1 . . . . . 201 LEU C . 27080 1 611 . 1 1 136 136 LEU CA C 13 52.858 0.061 . 1 . . . . . 201 LEU CA . 27080 1 612 . 1 1 136 136 LEU CB C 13 40.481 0.000 . 1 . . . . . 201 LEU CB . 27080 1 613 . 1 1 136 136 LEU N N 15 134.664 0.000 . 1 . . . . . 201 LEU N . 27080 1 614 . 1 1 137 137 SER H H 1 9.212 0.002 . 1 . . . . . 202 SER H . 27080 1 615 . 1 1 137 137 SER C C 13 175.472 0.045 . 1 . . . . . 202 SER C . 27080 1 616 . 1 1 137 137 SER CA C 13 63.346 0.088 . 1 . . . . . 202 SER CA . 27080 1 617 . 1 1 137 137 SER CB C 13 61.126 0.014 . 1 . . . . . 202 SER CB . 27080 1 618 . 1 1 137 137 SER N N 15 122.085 0.000 . 1 . . . . . 202 SER N . 27080 1 619 . 1 1 138 138 GLY H H 1 9.633 0.004 . 1 . . . . . 203 GLY H . 27080 1 620 . 1 1 138 138 GLY C C 13 177.754 0.000 . 1 . . . . . 203 GLY C . 27080 1 621 . 1 1 138 138 GLY CA C 13 45.650 0.071 . 1 . . . . . 203 GLY CA . 27080 1 622 . 1 1 138 138 GLY N N 15 108.547 0.009 . 1 . . . . . 203 GLY N . 27080 1 623 . 1 1 139 139 TRP H H 1 7.727 0.002 . 1 . . . . . 204 TRP H . 27080 1 624 . 1 1 139 139 TRP C C 13 178.541 0.000 . 1 . . . . . 204 TRP C . 27080 1 625 . 1 1 139 139 TRP CA C 13 56.106 0.084 . 1 . . . . . 204 TRP CA . 27080 1 626 . 1 1 139 139 TRP CB C 13 27.620 0.000 . 1 . . . . . 204 TRP CB . 27080 1 627 . 1 1 139 139 TRP N N 15 121.954 0.123 . 1 . . . . . 204 TRP N . 27080 1 628 . 1 1 140 140 ALA H H 1 7.777 0.002 . 1 . . . . . 205 ALA H . 27080 1 629 . 1 1 140 140 ALA C C 13 181.059 0.000 . 1 . . . . . 205 ALA C . 27080 1 630 . 1 1 140 140 ALA CA C 13 53.496 0.024 . 1 . . . . . 205 ALA CA . 27080 1 631 . 1 1 140 140 ALA CB C 13 18.292 0.051 . 1 . . . . . 205 ALA CB . 27080 1 632 . 1 1 140 140 ALA N N 15 127.464 0.004 . 1 . . . . . 205 ALA N . 27080 1 633 . 1 1 141 141 LYS H H 1 8.469 0.005 . 1 . . . . . 206 LYS H . 27080 1 634 . 1 1 141 141 LYS C C 13 177.367 0.000 . 1 . . . . . 206 LYS C . 27080 1 635 . 1 1 141 141 LYS CA C 13 57.198 0.077 . 1 . . . . . 206 LYS CA . 27080 1 636 . 1 1 141 141 LYS CB C 13 32.178 0.085 . 1 . . . . . 206 LYS CB . 27080 1 637 . 1 1 141 141 LYS N N 15 117.238 0.050 . 1 . . . . . 206 LYS N . 27080 1 638 . 1 1 142 142 GLN H H 1 8.164 0.000 . 1 . . . . . 207 GLN H . 27080 1 639 . 1 1 142 142 GLN C C 13 174.681 0.000 . 1 . . . . . 207 GLN C . 27080 1 640 . 1 1 142 142 GLN CA C 13 55.511 0.000 . 1 . . . . . 207 GLN CA . 27080 1 641 . 1 1 142 142 GLN CB C 13 30.954 0.008 . 1 . . . . . 207 GLN CB . 27080 1 642 . 1 1 142 142 GLN N N 15 113.611 0.000 . 1 . . . . . 207 GLN N . 27080 1 643 . 1 1 143 143 GLY H H 1 7.722 0.004 . 1 . . . . . 208 GLY H . 27080 1 644 . 1 1 143 143 GLY C C 13 174.165 0.000 . 1 . . . . . 208 GLY C . 27080 1 645 . 1 1 143 143 GLY CA C 13 44.394 0.017 . 1 . . . . . 208 GLY CA . 27080 1 646 . 1 1 143 143 GLY N N 15 104.416 0.000 . 1 . . . . . 208 GLY N . 27080 1 647 . 1 1 144 144 VAL H H 1 7.467 0.001 . 1 . . . . . 209 VAL H . 27080 1 648 . 1 1 144 144 VAL C C 13 174.095 0.000 . 1 . . . . . 209 VAL C . 27080 1 649 . 1 1 144 144 VAL CA C 13 60.183 0.000 . 1 . . . . . 209 VAL CA . 27080 1 650 . 1 1 144 144 VAL CB C 13 29.543 0.000 . 1 . . . . . 209 VAL CB . 27080 1 651 . 1 1 144 144 VAL N N 15 122.964 0.000 . 1 . . . . . 209 VAL N . 27080 1 652 . 1 1 145 145 LEU H H 1 9.642 0.004 . 1 . . . . . 210 LEU H . 27080 1 653 . 1 1 145 145 LEU C C 13 174.777 0.000 . 1 . . . . . 210 LEU C . 27080 1 654 . 1 1 145 145 LEU CA C 13 52.623 0.000 . 1 . . . . . 210 LEU CA . 27080 1 655 . 1 1 145 145 LEU CB C 13 41.664 0.000 . 1 . . . . . 210 LEU CB . 27080 1 656 . 1 1 145 145 LEU N N 15 131.917 0.002 . 1 . . . . . 210 LEU N . 27080 1 657 . 1 1 146 146 LEU H H 1 7.158 0.023 . 1 . . . . . 211 LEU H . 27080 1 658 . 1 1 146 146 LEU C C 13 174.153 0.000 . 1 . . . . . 211 LEU C . 27080 1 659 . 1 1 146 146 LEU CA C 13 55.276 0.000 . 1 . . . . . 211 LEU CA . 27080 1 660 . 1 1 146 146 LEU CB C 13 38.538 0.000 . 1 . . . . . 211 LEU CB . 27080 1 661 . 1 1 146 146 LEU N N 15 112.493 0.017 . 1 . . . . . 211 LEU N . 27080 1 662 . 1 1 147 147 LEU H H 1 9.909 0.010 . 1 . . . . . 212 LEU H . 27080 1 663 . 1 1 147 147 LEU C C 13 172.999 0.000 . 1 . . . . . 212 LEU C . 27080 1 664 . 1 1 147 147 LEU CA C 13 55.497 0.000 . 1 . . . . . 212 LEU CA . 27080 1 665 . 1 1 147 147 LEU CB C 13 34.166 0.000 . 1 . . . . . 212 LEU CB . 27080 1 666 . 1 1 147 147 LEU N N 15 131.399 0.000 . 1 . . . . . 212 LEU N . 27080 1 667 . 1 1 148 148 ASN H H 1 8.544 0.002 . 1 . . . . . 213 ASN H . 27080 1 668 . 1 1 148 148 ASN C C 13 178.214 0.000 . 1 . . . . . 213 ASN C . 27080 1 669 . 1 1 148 148 ASN CA C 13 54.332 0.000 . 1 . . . . . 213 ASN CA . 27080 1 670 . 1 1 148 148 ASN CB C 13 40.802 0.000 . 1 . . . . . 213 ASN CB . 27080 1 671 . 1 1 148 148 ASN N N 15 119.832 0.000 . 1 . . . . . 213 ASN N . 27080 1 672 . 1 1 149 149 ALA H H 1 7.691 0.003 . 1 . . . . . 214 ALA H . 27080 1 673 . 1 1 149 149 ALA C C 13 174.288 0.000 . 1 . . . . . 214 ALA C . 27080 1 674 . 1 1 149 149 ALA CA C 13 54.148 0.083 . 1 . . . . . 214 ALA CA . 27080 1 675 . 1 1 149 149 ALA CB C 13 15.315 0.049 . 1 . . . . . 214 ALA CB . 27080 1 676 . 1 1 149 149 ALA N N 15 126.575 0.007 . 1 . . . . . 214 ALA N . 27080 1 677 . 1 1 150 150 VAL H H 1 7.576 0.005 . 1 . . . . . 215 VAL H . 27080 1 678 . 1 1 150 150 VAL C C 13 174.542 0.000 . 1 . . . . . 215 VAL C . 27080 1 679 . 1 1 150 150 VAL CA C 13 65.797 0.000 . 1 . . . . . 215 VAL CA . 27080 1 680 . 1 1 150 150 VAL CB C 13 31.165 0.081 . 1 . . . . . 215 VAL CB . 27080 1 681 . 1 1 150 150 VAL N N 15 121.465 0.101 . 1 . . . . . 215 VAL N . 27080 1 682 . 1 1 151 151 LEU H H 1 9.298 0.004 . 1 . . . . . 216 LEU H . 27080 1 683 . 1 1 151 151 LEU C C 13 174.847 0.000 . 1 . . . . . 216 LEU C . 27080 1 684 . 1 1 151 151 LEU CA C 13 54.844 0.000 . 1 . . . . . 216 LEU CA . 27080 1 685 . 1 1 151 151 LEU CB C 13 40.048 0.000 . 1 . . . . . 216 LEU CB . 27080 1 686 . 1 1 151 151 LEU N N 15 127.433 0.012 . 1 . . . . . 216 LEU N . 27080 1 687 . 1 1 152 152 THR H H 1 6.622 0.007 . 1 . . . . . 217 THR H . 27080 1 688 . 1 1 152 152 THR C C 13 172.403 0.000 . 1 . . . . . 217 THR C . 27080 1 689 . 1 1 152 152 THR CA C 13 58.512 0.023 . 1 . . . . . 217 THR CA . 27080 1 690 . 1 1 152 152 THR CB C 13 71.356 0.024 . 1 . . . . . 217 THR CB . 27080 1 691 . 1 1 152 152 THR N N 15 107.228 0.018 . 1 . . . . . 217 THR N . 27080 1 692 . 1 1 153 153 VAL H H 1 8.619 0.013 . 1 . . . . . 218 VAL H . 27080 1 693 . 1 1 153 153 VAL C C 13 171.388 0.000 . 1 . . . . . 218 VAL C . 27080 1 694 . 1 1 153 153 VAL CA C 13 59.292 0.041 . 1 . . . . . 218 VAL CA . 27080 1 695 . 1 1 153 153 VAL CB C 13 34.288 0.039 . 1 . . . . . 218 VAL CB . 27080 1 696 . 1 1 153 153 VAL N N 15 119.685 0.009 . 1 . . . . . 218 VAL N . 27080 1 697 . 1 1 154 154 ARG H H 1 7.210 0.002 . 1 . . . . . 219 ARG H . 27080 1 698 . 1 1 154 154 ARG C C 13 175.284 0.000 . 1 . . . . . 219 ARG C . 27080 1 699 . 1 1 154 154 ARG CA C 13 55.441 0.084 . 1 . . . . . 219 ARG CA . 27080 1 700 . 1 1 154 154 ARG CB C 13 30.438 0.038 . 1 . . . . . 219 ARG CB . 27080 1 701 . 1 1 154 154 ARG N N 15 126.221 0.042 . 1 . . . . . 219 ARG N . 27080 1 702 . 1 1 155 155 ALA H H 1 8.122 0.007 . 1 . . . . . 220 ALA H . 27080 1 703 . 1 1 155 155 ALA C C 13 177.522 0.000 . 1 . . . . . 220 ALA C . 27080 1 704 . 1 1 155 155 ALA CA C 13 51.723 0.053 . 1 . . . . . 220 ALA CA . 27080 1 705 . 1 1 155 155 ALA CB C 13 18.138 0.007 . 1 . . . . . 220 ALA CB . 27080 1 706 . 1 1 155 155 ALA N N 15 126.249 0.023 . 1 . . . . . 220 ALA N . 27080 1 707 . 1 1 156 156 HIS H H 1 8.891 0.005 . 1 . . . . . 221 HIS H . 27080 1 708 . 1 1 156 156 HIS C C 13 173.924 0.000 . 1 . . . . . 221 HIS C . 27080 1 709 . 1 1 156 156 HIS CA C 13 56.819 0.001 . 1 . . . . . 221 HIS CA . 27080 1 710 . 1 1 156 156 HIS CB C 13 28.017 0.019 . 1 . . . . . 221 HIS CB . 27080 1 711 . 1 1 156 156 HIS N N 15 113.024 0.051 . 1 . . . . . 221 HIS N . 27080 1 712 . 1 1 157 157 GLN H H 1 7.829 0.006 . 1 . . . . . 222 GLN H . 27080 1 713 . 1 1 157 157 GLN C C 13 173.160 0.000 . 1 . . . . . 222 GLN C . 27080 1 714 . 1 1 157 157 GLN CA C 13 52.374 0.000 . 1 . . . . . 222 GLN CA . 27080 1 715 . 1 1 157 157 GLN CB C 13 28.760 0.000 . 1 . . . . . 222 GLN CB . 27080 1 716 . 1 1 157 157 GLN N N 15 121.062 0.001 . 1 . . . . . 222 GLN N . 27080 1 717 . 1 1 158 158 ALA H H 1 8.298 0.006 . 1 . . . . . 223 ALA H . 27080 1 718 . 1 1 158 158 ALA C C 13 177.943 0.000 . 1 . . . . . 223 ALA C . 27080 1 719 . 1 1 158 158 ALA CA C 13 52.558 0.090 . 1 . . . . . 223 ALA CA . 27080 1 720 . 1 1 158 158 ALA CB C 13 17.321 0.095 . 1 . . . . . 223 ALA CB . 27080 1 721 . 1 1 158 158 ALA N N 15 129.890 0.022 . 1 . . . . . 223 ALA N . 27080 1 722 . 1 1 159 159 ASN H H 1 10.041 0.008 . 1 . . . . . 224 ASN H . 27080 1 723 . 1 1 159 159 ASN C C 13 176.083 0.000 . 1 . . . . . 224 ASN C . 27080 1 724 . 1 1 159 159 ASN CA C 13 52.932 0.011 . 1 . . . . . 224 ASN CA . 27080 1 725 . 1 1 159 159 ASN CB C 13 37.069 0.000 . 1 . . . . . 224 ASN CB . 27080 1 726 . 1 1 159 159 ASN N N 15 118.772 0.000 . 1 . . . . . 224 ASN N . 27080 1 727 . 1 1 160 160 SER H H 1 7.735 0.005 . 1 . . . . . 225 SER H . 27080 1 728 . 1 1 160 160 SER C C 13 176.915 0.000 . 1 . . . . . 225 SER C . 27080 1 729 . 1 1 160 160 SER CA C 13 58.990 0.026 . 1 . . . . . 225 SER CA . 27080 1 730 . 1 1 160 160 SER CB C 13 61.250 0.011 . 1 . . . . . 225 SER CB . 27080 1 731 . 1 1 160 160 SER N N 15 113.322 0.004 . 1 . . . . . 225 SER N . 27080 1 732 . 1 1 161 161 HIS H H 1 9.684 0.004 . 1 . . . . . 226 HIS H . 27080 1 733 . 1 1 161 161 HIS C C 13 177.171 0.000 . 1 . . . . . 226 HIS C . 27080 1 734 . 1 1 161 161 HIS CA C 13 52.626 0.011 . 1 . . . . . 226 HIS CA . 27080 1 735 . 1 1 161 161 HIS CB C 13 29.586 0.002 . 1 . . . . . 226 HIS CB . 27080 1 736 . 1 1 161 161 HIS N N 15 123.402 0.008 . 1 . . . . . 226 HIS N . 27080 1 737 . 1 1 162 162 LYS H H 1 7.167 0.004 . 1 . . . . . 227 LYS H . 27080 1 738 . 1 1 162 162 LYS C C 13 175.918 0.000 . 1 . . . . . 227 LYS C . 27080 1 739 . 1 1 162 162 LYS CA C 13 55.646 0.043 . 1 . . . . . 227 LYS CA . 27080 1 740 . 1 1 162 162 LYS CB C 13 31.062 0.062 . 1 . . . . . 227 LYS CB . 27080 1 741 . 1 1 162 162 LYS N N 15 119.285 0.045 . 1 . . . . . 227 LYS N . 27080 1 742 . 1 1 163 163 GLU H H 1 7.435 0.003 . 1 . . . . . 228 GLU H . 27080 1 743 . 1 1 163 163 GLU C C 13 175.722 0.000 . 1 . . . . . 228 GLU C . 27080 1 744 . 1 1 163 163 GLU CA C 13 55.007 0.000 . 1 . . . . . 228 GLU CA . 27080 1 745 . 1 1 163 163 GLU CB C 13 26.881 0.000 . 1 . . . . . 228 GLU CB . 27080 1 746 . 1 1 163 163 GLU N N 15 125.804 0.018 . 1 . . . . . 228 GLU N . 27080 1 747 . 1 1 164 164 ARG H H 1 8.040 0.006 . 1 . . . . . 229 ARG H . 27080 1 748 . 1 1 164 164 ARG C C 13 173.787 0.000 . 1 . . . . . 229 ARG C . 27080 1 749 . 1 1 164 164 ARG CA C 13 54.662 0.000 . 1 . . . . . 229 ARG CA . 27080 1 750 . 1 1 164 164 ARG CB C 13 30.538 0.093 . 1 . . . . . 229 ARG CB . 27080 1 751 . 1 1 164 164 ARG N N 15 122.183 0.047 . 1 . . . . . 229 ARG N . 27080 1 752 . 1 1 165 165 GLY H H 1 7.843 0.004 . 1 . . . . . 230 GLY H . 27080 1 753 . 1 1 165 165 GLY C C 13 174.539 0.000 . 1 . . . . . 230 GLY C . 27080 1 754 . 1 1 165 165 GLY CA C 13 44.851 0.000 . 1 . . . . . 230 GLY CA . 27080 1 755 . 1 1 165 165 GLY N N 15 110.169 0.014 . 1 . . . . . 230 GLY N . 27080 1 756 . 1 1 166 166 TRP H H 1 8.816 0.020 . 1 . . . . . 231 TRP H . 27080 1 757 . 1 1 166 166 TRP C C 13 174.095 0.000 . 1 . . . . . 231 TRP C . 27080 1 758 . 1 1 166 166 TRP CA C 13 59.211 0.000 . 1 . . . . . 231 TRP CA . 27080 1 759 . 1 1 166 166 TRP CB C 13 30.056 0.039 . 1 . . . . . 231 TRP CB . 27080 1 760 . 1 1 166 166 TRP N N 15 123.027 0.057 . 1 . . . . . 231 TRP N . 27080 1 761 . 1 1 167 167 GLU H H 1 10.984 0.014 . 1 . . . . . 232 GLU H . 27080 1 762 . 1 1 167 167 GLU C C 13 177.987 0.000 . 1 . . . . . 232 GLU C . 27080 1 763 . 1 1 167 167 GLU CA C 13 60.296 0.056 . 1 . . . . . 232 GLU CA . 27080 1 764 . 1 1 167 167 GLU CB C 13 26.549 0.002 . 1 . . . . . 232 GLU CB . 27080 1 765 . 1 1 167 167 GLU N N 15 120.219 0.000 . 1 . . . . . 232 GLU N . 27080 1 766 . 1 1 168 168 GLN H H 1 7.499 0.003 . 1 . . . . . 233 GLN H . 27080 1 767 . 1 1 168 168 GLN C C 13 177.606 0.007 . 1 . . . . . 233 GLN C . 27080 1 768 . 1 1 168 168 GLN CA C 13 58.198 0.029 . 1 . . . . . 233 GLN CA . 27080 1 769 . 1 1 168 168 GLN CB C 13 26.428 0.044 . 1 . . . . . 233 GLN CB . 27080 1 770 . 1 1 168 168 GLN N N 15 119.277 0.004 . 1 . . . . . 233 GLN N . 27080 1 771 . 1 1 169 169 PHE H H 1 8.083 0.002 . 1 . . . . . 234 PHE H . 27080 1 772 . 1 1 169 169 PHE C C 13 177.454 0.000 . 1 . . . . . 234 PHE C . 27080 1 773 . 1 1 169 169 PHE CA C 13 60.832 0.014 . 1 . . . . . 234 PHE CA . 27080 1 774 . 1 1 169 169 PHE CB C 13 38.104 0.037 . 1 . . . . . 234 PHE CB . 27080 1 775 . 1 1 169 169 PHE N N 15 124.270 0.071 . 1 . . . . . 234 PHE N . 27080 1 776 . 1 1 170 170 THR H H 1 10.069 0.007 . 1 . . . . . 235 THR H . 27080 1 777 . 1 1 170 170 THR C C 13 172.905 0.000 . 1 . . . . . 235 THR C . 27080 1 778 . 1 1 170 170 THR CA C 13 66.062 0.000 . 1 . . . . . 235 THR CA . 27080 1 779 . 1 1 170 170 THR CB C 13 68.671 0.000 . 1 . . . . . 235 THR CB . 27080 1 780 . 1 1 170 170 THR N N 15 112.487 0.004 . 1 . . . . . 235 THR N . 27080 1 781 . 1 1 171 171 ASP H H 1 8.672 0.006 . 1 . . . . . 236 ASP H . 27080 1 782 . 1 1 171 171 ASP C C 13 177.795 0.000 . 1 . . . . . 236 ASP C . 27080 1 783 . 1 1 171 171 ASP CA C 13 56.483 0.000 . 1 . . . . . 236 ASP CA . 27080 1 784 . 1 1 171 171 ASP CB C 13 37.949 0.085 . 1 . . . . . 236 ASP CB . 27080 1 785 . 1 1 171 171 ASP N N 15 125.142 0.003 . 1 . . . . . 236 ASP N . 27080 1 786 . 1 1 172 172 ALA H H 1 7.692 0.002 . 1 . . . . . 237 ALA H . 27080 1 787 . 1 1 172 172 ALA C C 13 176.459 0.000 . 1 . . . . . 237 ALA C . 27080 1 788 . 1 1 172 172 ALA CA C 13 51.562 0.000 . 1 . . . . . 237 ALA CA . 27080 1 789 . 1 1 172 172 ALA CB C 13 20.156 0.014 . 1 . . . . . 237 ALA CB . 27080 1 790 . 1 1 172 172 ALA N N 15 121.571 0.000 . 1 . . . . . 237 ALA N . 27080 1 791 . 1 1 173 173 VAL H H 1 7.634 0.003 . 1 . . . . . 238 VAL H . 27080 1 792 . 1 1 173 173 VAL C C 13 177.863 0.000 . 1 . . . . . 238 VAL C . 27080 1 793 . 1 1 173 173 VAL CA C 13 60.087 0.000 . 1 . . . . . 238 VAL CA . 27080 1 794 . 1 1 173 173 VAL CB C 13 33.187 0.000 . 1 . . . . . 238 VAL CB . 27080 1 795 . 1 1 173 173 VAL N N 15 117.885 0.011 . 1 . . . . . 238 VAL N . 27080 1 796 . 1 1 174 174 VAL H H 1 7.662 0.002 . 1 . . . . . 239 VAL H . 27080 1 797 . 1 1 174 174 VAL C C 13 177.010 0.000 . 1 . . . . . 239 VAL C . 27080 1 798 . 1 1 174 174 VAL CA C 13 50.240 0.000 . 1 . . . . . 239 VAL CA . 27080 1 799 . 1 1 174 174 VAL CB C 13 51.724 0.000 . 1 . . . . . 239 VAL CB . 27080 1 800 . 1 1 174 174 VAL N N 15 121.909 0.000 . 1 . . . . . 239 VAL N . 27080 1 801 . 1 1 175 175 SER H H 1 8.747 0.005 . 1 . . . . . 240 SER H . 27080 1 802 . 1 1 175 175 SER C C 13 176.196 0.000 . 1 . . . . . 240 SER C . 27080 1 803 . 1 1 175 175 SER CA C 13 59.600 0.042 . 1 . . . . . 240 SER CA . 27080 1 804 . 1 1 175 175 SER CB C 13 62.122 0.138 . 1 . . . . . 240 SER CB . 27080 1 805 . 1 1 175 175 SER N N 15 115.353 0.000 . 1 . . . . . 240 SER N . 27080 1 806 . 1 1 176 176 TRP H H 1 8.241 0.002 . 1 . . . . . 241 TRP H . 27080 1 807 . 1 1 176 176 TRP C C 13 179.768 0.000 . 1 . . . . . 241 TRP C . 27080 1 808 . 1 1 176 176 TRP CA C 13 62.199 0.005 . 1 . . . . . 241 TRP CA . 27080 1 809 . 1 1 176 176 TRP CB C 13 27.597 0.008 . 1 . . . . . 241 TRP CB . 27080 1 810 . 1 1 176 176 TRP N N 15 123.494 0.024 . 1 . . . . . 241 TRP N . 27080 1 811 . 1 1 177 177 LEU H H 1 8.165 0.002 . 1 . . . . . 242 LEU H . 27080 1 812 . 1 1 177 177 LEU C C 13 177.711 0.000 . 1 . . . . . 242 LEU C . 27080 1 813 . 1 1 177 177 LEU CA C 13 56.700 0.002 . 1 . . . . . 242 LEU CA . 27080 1 814 . 1 1 177 177 LEU CB C 13 40.360 0.056 . 1 . . . . . 242 LEU CB . 27080 1 815 . 1 1 177 177 LEU N N 15 121.497 0.044 . 1 . . . . . 242 LEU N . 27080 1 816 . 1 1 178 178 ASN H H 1 8.688 0.008 . 1 . . . . . 243 ASN H . 27080 1 817 . 1 1 178 178 ASN C C 13 176.580 0.000 . 1 . . . . . 243 ASN C . 27080 1 818 . 1 1 178 178 ASN CA C 13 54.658 0.014 . 1 . . . . . 243 ASN CA . 27080 1 819 . 1 1 178 178 ASN CB C 13 38.855 0.010 . 1 . . . . . 243 ASN CB . 27080 1 820 . 1 1 178 178 ASN N N 15 116.284 0.011 . 1 . . . . . 243 ASN N . 27080 1 821 . 1 1 179 179 GLN H H 1 7.814 0.011 . 1 . . . . . 244 GLN H . 27080 1 822 . 1 1 179 179 GLN C C 13 177.633 0.000 . 1 . . . . . 244 GLN C . 27080 1 823 . 1 1 179 179 GLN CA C 13 56.362 0.034 . 1 . . . . . 244 GLN CA . 27080 1 824 . 1 1 179 179 GLN CB C 13 28.879 0.037 . 1 . . . . . 244 GLN CB . 27080 1 825 . 1 1 179 179 GLN N N 15 114.857 0.047 . 1 . . . . . 244 GLN N . 27080 1 826 . 1 1 180 180 ASN H H 1 7.838 0.006 . 1 . . . . . 245 ASN H . 27080 1 827 . 1 1 180 180 ASN C C 13 173.784 0.000 . 1 . . . . . 245 ASN C . 27080 1 828 . 1 1 180 180 ASN CA C 13 52.802 0.167 . 1 . . . . . 245 ASN CA . 27080 1 829 . 1 1 180 180 ASN CB C 13 38.312 0.233 . 1 . . . . . 245 ASN CB . 27080 1 830 . 1 1 180 180 ASN N N 15 114.900 0.061 . 1 . . . . . 245 ASN N . 27080 1 831 . 1 1 181 181 SER H H 1 7.515 0.001 . 1 . . . . . 246 SER H . 27080 1 832 . 1 1 181 181 SER C C 13 171.511 0.000 . 1 . . . . . 246 SER C . 27080 1 833 . 1 1 181 181 SER CA C 13 56.228 0.000 . 1 . . . . . 246 SER CA . 27080 1 834 . 1 1 181 181 SER CB C 13 62.968 0.001 . 1 . . . . . 246 SER CB . 27080 1 835 . 1 1 181 181 SER N N 15 117.307 0.015 . 1 . . . . . 246 SER N . 27080 1 836 . 1 1 182 182 ASN H H 1 8.554 0.003 . 1 . . . . . 247 ASN H . 27080 1 837 . 1 1 182 182 ASN C C 13 176.545 0.000 . 1 . . . . . 247 ASN C . 27080 1 838 . 1 1 182 182 ASN CA C 13 52.088 0.078 . 1 . . . . . 247 ASN CA . 27080 1 839 . 1 1 182 182 ASN CB C 13 41.527 0.072 . 1 . . . . . 247 ASN CB . 27080 1 840 . 1 1 182 182 ASN N N 15 118.693 0.045 . 1 . . . . . 247 ASN N . 27080 1 841 . 1 1 183 183 GLY H H 1 8.486 0.003 . 1 . . . . . 248 GLY H . 27080 1 842 . 1 1 183 183 GLY C C 13 171.855 0.000 . 1 . . . . . 248 GLY C . 27080 1 843 . 1 1 183 183 GLY CA C 13 43.607 0.036 . 1 . . . . . 248 GLY CA . 27080 1 844 . 1 1 183 183 GLY N N 15 112.213 0.009 . 1 . . . . . 248 GLY N . 27080 1 845 . 1 1 184 184 LEU H H 1 7.945 0.005 . 1 . . . . . 249 LEU H . 27080 1 846 . 1 1 184 184 LEU C C 13 175.469 0.000 . 1 . . . . . 249 LEU C . 27080 1 847 . 1 1 184 184 LEU CA C 13 54.069 0.000 . 1 . . . . . 249 LEU CA . 27080 1 848 . 1 1 184 184 LEU CB C 13 41.728 0.000 . 1 . . . . . 249 LEU CB . 27080 1 849 . 1 1 184 184 LEU N N 15 123.371 0.009 . 1 . . . . . 249 LEU N . 27080 1 850 . 1 1 185 185 VAL H H 1 6.729 0.010 . 1 . . . . . 250 VAL H . 27080 1 851 . 1 1 185 185 VAL C C 13 175.353 0.000 . 1 . . . . . 250 VAL C . 27080 1 852 . 1 1 185 185 VAL CA C 13 63.371 0.087 . 1 . . . . . 250 VAL CA . 27080 1 853 . 1 1 185 185 VAL CB C 13 30.538 0.005 . 1 . . . . . 250 VAL CB . 27080 1 854 . 1 1 185 185 VAL N N 15 120.969 0.016 . 1 . . . . . 250 VAL N . 27080 1 855 . 1 1 186 186 PHE H H 1 9.548 0.007 . 1 . . . . . 251 PHE H . 27080 1 856 . 1 1 186 186 PHE C C 13 175.376 0.000 . 1 . . . . . 251 PHE C . 27080 1 857 . 1 1 186 186 PHE CA C 13 55.904 0.000 . 1 . . . . . 251 PHE CA . 27080 1 858 . 1 1 186 186 PHE CB C 13 36.226 0.000 . 1 . . . . . 251 PHE CB . 27080 1 859 . 1 1 186 186 PHE N N 15 127.037 0.010 . 1 . . . . . 251 PHE N . 27080 1 860 . 1 1 187 187 LEU H H 1 7.854 0.005 . 1 . . . . . 252 LEU H . 27080 1 861 . 1 1 187 187 LEU C C 13 175.089 0.000 . 1 . . . . . 252 LEU C . 27080 1 862 . 1 1 187 187 LEU CA C 13 54.435 0.000 . 1 . . . . . 252 LEU CA . 27080 1 863 . 1 1 187 187 LEU CB C 13 41.198 0.000 . 1 . . . . . 252 LEU CB . 27080 1 864 . 1 1 187 187 LEU N N 15 122.568 0.000 . 1 . . . . . 252 LEU N . 27080 1 865 . 1 1 188 188 LEU H H 1 8.631 0.005 . 1 . . . . . 253 LEU H . 27080 1 866 . 1 1 188 188 LEU C C 13 173.904 0.000 . 1 . . . . . 253 LEU C . 27080 1 867 . 1 1 188 188 LEU CA C 13 56.955 0.000 . 1 . . . . . 253 LEU CA . 27080 1 868 . 1 1 188 188 LEU CB C 13 39.806 0.000 . 1 . . . . . 253 LEU CB . 27080 1 869 . 1 1 188 188 LEU N N 15 121.863 0.000 . 1 . . . . . 253 LEU N . 27080 1 870 . 1 1 189 189 TRP H H 1 9.640 0.005 . 1 . . . . . 254 TRP H . 27080 1 871 . 1 1 189 189 TRP C C 13 176.691 0.000 . 1 . . . . . 254 TRP C . 27080 1 872 . 1 1 189 189 TRP CA C 13 126.320 0.000 . 1 . . . . . 254 TRP CA . 27080 1 873 . 1 1 189 189 TRP CB C 13 27.982 0.000 . 1 . . . . . 254 TRP CB . 27080 1 874 . 1 1 189 189 TRP N N 15 130.771 0.009 . 1 . . . . . 254 TRP N . 27080 1 875 . 1 1 190 190 GLY H H 1 9.154 0.001 . 1 . . . . . 255 GLY H . 27080 1 876 . 1 1 190 190 GLY C C 13 174.112 0.000 . 1 . . . . . 255 GLY C . 27080 1 877 . 1 1 190 190 GLY CA C 13 43.214 0.043 . 1 . . . . . 255 GLY CA . 27080 1 878 . 1 1 190 190 GLY N N 15 114.122 0.000 . 1 . . . . . 255 GLY N . 27080 1 879 . 1 1 191 191 SER H H 1 7.341 0.001 . 1 . . . . . 256 SER H . 27080 1 880 . 1 1 191 191 SER C C 13 175.400 0.000 . 1 . . . . . 256 SER C . 27080 1 881 . 1 1 191 191 SER CA C 13 59.341 0.000 . 1 . . . . . 256 SER CA . 27080 1 882 . 1 1 191 191 SER CB C 13 62.012 0.072 . 1 . . . . . 256 SER CB . 27080 1 883 . 1 1 191 191 SER N N 15 118.149 0.000 . 1 . . . . . 256 SER N . 27080 1 884 . 1 1 192 192 TYR H H 1 6.922 0.002 . 1 . . . . . 257 TYR H . 27080 1 885 . 1 1 192 192 TYR C C 13 178.444 0.000 . 1 . . . . . 257 TYR C . 27080 1 886 . 1 1 192 192 TYR CA C 13 54.929 0.000 . 1 . . . . . 257 TYR CA . 27080 1 887 . 1 1 192 192 TYR CB C 13 40.319 0.000 . 1 . . . . . 257 TYR CB . 27080 1 888 . 1 1 192 192 TYR N N 15 123.376 0.000 . 1 . . . . . 257 TYR N . 27080 1 889 . 1 1 193 193 ALA H H 1 9.108 0.001 . 1 . . . . . 258 ALA H . 27080 1 890 . 1 1 193 193 ALA C C 13 178.948 0.000 . 1 . . . . . 258 ALA C . 27080 1 891 . 1 1 193 193 ALA CA C 13 53.621 0.086 . 1 . . . . . 258 ALA CA . 27080 1 892 . 1 1 193 193 ALA CB C 13 17.915 0.000 . 1 . . . . . 258 ALA CB . 27080 1 893 . 1 1 193 193 ALA N N 15 125.156 0.017 . 1 . . . . . 258 ALA N . 27080 1 894 . 1 1 194 194 GLN H H 1 7.809 0.001 . 1 . . . . . 259 GLN H . 27080 1 895 . 1 1 194 194 GLN C C 13 176.066 0.000 . 1 . . . . . 259 GLN C . 27080 1 896 . 1 1 194 194 GLN CA C 13 57.828 0.000 . 1 . . . . . 259 GLN CA . 27080 1 897 . 1 1 194 194 GLN CB C 13 25.967 0.000 . 1 . . . . . 259 GLN CB . 27080 1 898 . 1 1 194 194 GLN N N 15 116.379 0.007 . 1 . . . . . 259 GLN N . 27080 1 899 . 1 1 195 195 LYS H H 1 7.044 0.002 . 1 . . . . . 260 LYS H . 27080 1 900 . 1 1 195 195 LYS C C 13 177.119 0.000 . 1 . . . . . 260 LYS C . 27080 1 901 . 1 1 195 195 LYS CA C 13 58.414 0.000 . 1 . . . . . 260 LYS CA . 27080 1 902 . 1 1 195 195 LYS CB C 13 30.575 0.000 . 1 . . . . . 260 LYS CB . 27080 1 903 . 1 1 195 195 LYS N N 15 113.717 0.000 . 1 . . . . . 260 LYS N . 27080 1 904 . 1 1 196 196 LYS H H 1 7.709 0.002 . 1 . . . . . 261 LYS H . 27080 1 905 . 1 1 196 196 LYS C C 13 178.278 0.000 . 1 . . . . . 261 LYS C . 27080 1 906 . 1 1 196 196 LYS CA C 13 57.326 0.000 . 1 . . . . . 261 LYS CA . 27080 1 907 . 1 1 196 196 LYS CB C 13 31.360 0.000 . 1 . . . . . 261 LYS CB . 27080 1 908 . 1 1 196 196 LYS N N 15 116.987 0.000 . 1 . . . . . 261 LYS N . 27080 1 909 . 1 1 197 197 GLY H H 1 7.829 0.003 . 1 . . . . . 262 GLY H . 27080 1 910 . 1 1 197 197 GLY C C 13 177.237 0.000 . 1 . . . . . 262 GLY C . 27080 1 911 . 1 1 197 197 GLY CA C 13 42.953 0.052 . 1 . . . . . 262 GLY CA . 27080 1 912 . 1 1 197 197 GLY N N 15 105.392 0.001 . 1 . . . . . 262 GLY N . 27080 1 913 . 1 1 198 198 SER H H 1 7.329 0.012 . 1 . . . . . 263 SER H . 27080 1 914 . 1 1 198 198 SER C C 13 179.049 0.000 . 1 . . . . . 263 SER C . 27080 1 915 . 1 1 198 198 SER CA C 13 59.626 0.000 . 1 . . . . . 263 SER CA . 27080 1 916 . 1 1 198 198 SER CB C 13 62.318 0.000 . 1 . . . . . 263 SER CB . 27080 1 917 . 1 1 198 198 SER N N 15 118.152 0.004 . 1 . . . . . 263 SER N . 27080 1 918 . 1 1 199 199 ALA H H 1 8.191 0.002 . 1 . . . . . 264 ALA H . 27080 1 919 . 1 1 199 199 ALA C C 13 176.608 0.000 . 1 . . . . . 264 ALA C . 27080 1 920 . 1 1 199 199 ALA CA C 13 49.921 0.034 . 1 . . . . . 264 ALA CA . 27080 1 921 . 1 1 199 199 ALA CB C 13 17.568 0.015 . 1 . . . . . 264 ALA CB . 27080 1 922 . 1 1 199 199 ALA N N 15 124.155 0.017 . 1 . . . . . 264 ALA N . 27080 1 923 . 1 1 200 200 ILE H H 1 6.694 0.003 . 1 . . . . . 265 ILE H . 27080 1 924 . 1 1 200 200 ILE C C 13 176.571 0.000 . 1 . . . . . 265 ILE C . 27080 1 925 . 1 1 200 200 ILE CA C 13 59.893 0.047 . 1 . . . . . 265 ILE CA . 27080 1 926 . 1 1 200 200 ILE CB C 13 36.989 0.022 . 1 . . . . . 265 ILE CB . 27080 1 927 . 1 1 200 200 ILE N N 15 121.312 0.000 . 1 . . . . . 265 ILE N . 27080 1 928 . 1 1 201 201 ASP H H 1 8.962 0.006 . 1 . . . . . 266 ASP H . 27080 1 929 . 1 1 201 201 ASP C C 13 175.950 0.000 . 1 . . . . . 266 ASP C . 27080 1 930 . 1 1 201 201 ASP CA C 13 53.227 0.025 . 1 . . . . . 266 ASP CA . 27080 1 931 . 1 1 201 201 ASP CB C 13 40.135 0.022 . 1 . . . . . 266 ASP CB . 27080 1 932 . 1 1 201 201 ASP N N 15 129.863 0.035 . 1 . . . . . 266 ASP N . 27080 1 933 . 1 1 202 202 ARG H H 1 8.476 0.005 . 1 . . . . . 267 ARG H . 27080 1 934 . 1 1 202 202 ARG C C 13 178.732 0.000 . 1 . . . . . 267 ARG C . 27080 1 935 . 1 1 202 202 ARG CA C 13 56.718 0.000 . 1 . . . . . 267 ARG CA . 27080 1 936 . 1 1 202 202 ARG CB C 13 28.391 0.067 . 1 . . . . . 267 ARG CB . 27080 1 937 . 1 1 202 202 ARG N N 15 128.888 0.005 . 1 . . . . . 267 ARG N . 27080 1 938 . 1 1 203 203 LYS H H 1 7.927 0.002 . 1 . . . . . 268 LYS H . 27080 1 939 . 1 1 203 203 LYS C C 13 176.818 0.000 . 1 . . . . . 268 LYS C . 27080 1 940 . 1 1 203 203 LYS CA C 13 56.519 0.000 . 1 . . . . . 268 LYS CA . 27080 1 941 . 1 1 203 203 LYS CB C 13 39.798 0.000 . 1 . . . . . 268 LYS CB . 27080 1 942 . 1 1 203 203 LYS N N 15 121.712 0.000 . 1 . . . . . 268 LYS N . 27080 1 943 . 1 1 204 204 ARG H H 1 7.776 0.005 . 1 . . . . . 269 ARG H . 27080 1 944 . 1 1 204 204 ARG C C 13 175.932 0.000 . 1 . . . . . 269 ARG C . 27080 1 945 . 1 1 204 204 ARG CA C 13 52.731 0.000 . 1 . . . . . 269 ARG CA . 27080 1 946 . 1 1 204 204 ARG CB C 13 18.131 0.000 . 1 . . . . . 269 ARG CB . 27080 1 947 . 1 1 204 204 ARG N N 15 127.390 0.039 . 1 . . . . . 269 ARG N . 27080 1 948 . 1 1 205 205 HIS H H 1 7.884 0.005 . 1 . . . . . 270 HIS H . 27080 1 949 . 1 1 205 205 HIS C C 13 176.623 0.000 . 1 . . . . . 270 HIS C . 27080 1 950 . 1 1 205 205 HIS CA C 13 57.291 0.000 . 1 . . . . . 270 HIS CA . 27080 1 951 . 1 1 205 205 HIS CB C 13 30.661 0.000 . 1 . . . . . 270 HIS CB . 27080 1 952 . 1 1 205 205 HIS N N 15 117.998 0.000 . 1 . . . . . 270 HIS N . 27080 1 953 . 1 1 206 206 HIS H H 1 7.794 0.003 . 1 . . . . . 271 HIS H . 27080 1 954 . 1 1 206 206 HIS C C 13 174.708 0.000 . 1 . . . . . 271 HIS C . 27080 1 955 . 1 1 206 206 HIS CA C 13 55.033 0.000 . 1 . . . . . 271 HIS CA . 27080 1 956 . 1 1 206 206 HIS CB C 13 31.015 0.048 . 1 . . . . . 271 HIS CB . 27080 1 957 . 1 1 206 206 HIS N N 15 119.927 0.000 . 1 . . . . . 271 HIS N . 27080 1 958 . 1 1 207 207 VAL H H 1 7.357 0.010 . 1 . . . . . 272 VAL H . 27080 1 959 . 1 1 207 207 VAL C C 13 174.337 0.000 . 1 . . . . . 272 VAL C . 27080 1 960 . 1 1 207 207 VAL CA C 13 60.516 0.026 . 1 . . . . . 272 VAL CA . 27080 1 961 . 1 1 207 207 VAL CB C 13 35.016 0.000 . 1 . . . . . 272 VAL CB . 27080 1 962 . 1 1 207 207 VAL N N 15 124.544 0.134 . 1 . . . . . 272 VAL N . 27080 1 963 . 1 1 208 208 LEU H H 1 8.979 0.001 . 1 . . . . . 273 LEU H . 27080 1 964 . 1 1 208 208 LEU C C 13 174.535 0.000 . 1 . . . . . 273 LEU C . 27080 1 965 . 1 1 208 208 LEU CA C 13 52.430 0.059 . 1 . . . . . 273 LEU CA . 27080 1 966 . 1 1 208 208 LEU CB C 13 41.050 0.000 . 1 . . . . . 273 LEU CB . 27080 1 967 . 1 1 208 208 LEU N N 15 131.977 0.008 . 1 . . . . . 273 LEU N . 27080 1 968 . 1 1 209 209 GLN H H 1 8.622 0.003 . 1 . . . . . 274 GLN H . 27080 1 969 . 1 1 209 209 GLN C C 13 175.126 0.000 . 1 . . . . . 274 GLN C . 27080 1 970 . 1 1 209 209 GLN CA C 13 56.915 0.000 . 1 . . . . . 274 GLN CA . 27080 1 971 . 1 1 209 209 GLN CB C 13 31.546 0.013 . 1 . . . . . 274 GLN CB . 27080 1 972 . 1 1 209 209 GLN N N 15 120.013 0.009 . 1 . . . . . 274 GLN N . 27080 1 973 . 1 1 210 210 THR H H 1 8.378 0.002 . 1 . . . . . 275 THR H . 27080 1 974 . 1 1 210 210 THR C C 13 171.990 0.000 . 1 . . . . . 275 THR C . 27080 1 975 . 1 1 210 210 THR CA C 13 59.277 0.083 . 1 . . . . . 275 THR CA . 27080 1 976 . 1 1 210 210 THR CB C 13 66.714 0.044 . 1 . . . . . 275 THR CB . 27080 1 977 . 1 1 210 210 THR N N 15 116.828 0.018 . 1 . . . . . 275 THR N . 27080 1 978 . 1 1 211 211 ALA H H 1 7.751 0.005 . 1 . . . . . 276 ALA H . 27080 1 979 . 1 1 211 211 ALA C C 13 176.217 0.000 . 1 . . . . . 276 ALA C . 27080 1 980 . 1 1 211 211 ALA CA C 13 49.966 0.012 . 1 . . . . . 276 ALA CA . 27080 1 981 . 1 1 211 211 ALA CB C 13 19.116 0.013 . 1 . . . . . 276 ALA CB . 27080 1 982 . 1 1 211 211 ALA N N 15 125.777 0.018 . 1 . . . . . 276 ALA N . 27080 1 983 . 1 1 212 212 HIS H H 1 8.153 0.002 . 1 . . . . . 277 HIS H . 27080 1 984 . 1 1 212 212 HIS CA C 13 55.000 0.000 . 1 . . . . . 277 HIS CA . 27080 1 985 . 1 1 212 212 HIS CB C 13 30.745 0.000 . 1 . . . . . 277 HIS CB . 27080 1 986 . 1 1 212 212 HIS N N 15 118.968 0.025 . 1 . . . . . 277 HIS N . 27080 1 987 . 1 1 213 213 PRO C C 13 175.236 0.000 . 1 . . . . . 278 PRO C . 27080 1 988 . 1 1 213 213 PRO CA C 13 63.907 0.000 . 1 . . . . . 278 PRO CA . 27080 1 989 . 1 1 213 213 PRO CB C 13 32.280 0.000 . 1 . . . . . 278 PRO CB . 27080 1 990 . 1 1 214 214 SER H H 1 7.847 0.001 . 1 . . . . . 279 SER H . 27080 1 991 . 1 1 214 214 SER CA C 13 62.578 0.000 . 1 . . . . . 279 SER CA . 27080 1 992 . 1 1 214 214 SER CB C 13 64.342 0.000 . 1 . . . . . 279 SER CB . 27080 1 993 . 1 1 214 214 SER N N 15 120.701 0.027 . 1 . . . . . 279 SER N . 27080 1 994 . 1 1 215 215 PRO C C 13 176.799 0.000 . 1 . . . . . 280 PRO C . 27080 1 995 . 1 1 215 215 PRO CA C 13 64.386 0.000 . 1 . . . . . 280 PRO CA . 27080 1 996 . 1 1 215 215 PRO CB C 13 31.232 0.000 . 1 . . . . . 280 PRO CB . 27080 1 997 . 1 1 216 216 LEU H H 1 7.747 0.006 . 1 . . . . . 281 LEU H . 27080 1 998 . 1 1 216 216 LEU C C 13 177.280 0.000 . 1 . . . . . 281 LEU C . 27080 1 999 . 1 1 216 216 LEU CA C 13 55.732 0.033 . 1 . . . . . 281 LEU CA . 27080 1 1000 . 1 1 216 216 LEU CB C 13 40.609 0.038 . 1 . . . . . 281 LEU CB . 27080 1 1001 . 1 1 216 216 LEU N N 15 115.564 0.000 . 1 . . . . . 281 LEU N . 27080 1 1002 . 1 1 217 217 SER H H 1 7.922 0.002 . 1 . . . . . 282 SER H . 27080 1 1003 . 1 1 217 217 SER C C 13 176.594 0.000 . 1 . . . . . 282 SER C . 27080 1 1004 . 1 1 217 217 SER CA C 13 57.095 0.044 . 1 . . . . . 282 SER CA . 27080 1 1005 . 1 1 217 217 SER CB C 13 64.579 0.000 . 1 . . . . . 282 SER CB . 27080 1 1006 . 1 1 217 217 SER N N 15 111.570 0.010 . 1 . . . . . 282 SER N . 27080 1 1007 . 1 1 218 218 VAL H H 1 7.958 0.008 . 1 . . . . . 283 VAL H . 27080 1 1008 . 1 1 218 218 VAL C C 13 175.841 0.000 . 1 . . . . . 283 VAL C . 27080 1 1009 . 1 1 218 218 VAL CA C 13 50.774 0.000 . 1 . . . . . 283 VAL CA . 27080 1 1010 . 1 1 218 218 VAL CB C 13 31.241 0.004 . 1 . . . . . 283 VAL CB . 27080 1 1011 . 1 1 218 218 VAL N N 15 124.097 0.071 . 1 . . . . . 283 VAL N . 27080 1 1012 . 1 1 219 219 TYR H H 1 8.539 0.001 . 1 . . . . . 284 TYR H . 27080 1 1013 . 1 1 219 219 TYR C C 13 174.415 0.000 . 1 . . . . . 284 TYR C . 27080 1 1014 . 1 1 219 219 TYR CA C 13 54.658 0.000 . 1 . . . . . 284 TYR CA . 27080 1 1015 . 1 1 219 219 TYR CB C 13 40.284 0.000 . 1 . . . . . 284 TYR CB . 27080 1 1016 . 1 1 219 219 TYR N N 15 120.343 0.000 . 1 . . . . . 284 TYR N . 27080 1 1017 . 1 1 220 220 ARG H H 1 7.801 0.004 . 1 . . . . . 285 ARG H . 27080 1 1018 . 1 1 220 220 ARG C C 13 175.766 0.000 . 1 . . . . . 285 ARG C . 27080 1 1019 . 1 1 220 220 ARG CA C 13 53.161 0.000 . 1 . . . . . 285 ARG CA . 27080 1 1020 . 1 1 220 220 ARG CB C 13 29.263 0.000 . 1 . . . . . 285 ARG CB . 27080 1 1021 . 1 1 220 220 ARG N N 15 121.929 0.033 . 1 . . . . . 285 ARG N . 27080 1 1022 . 1 1 221 221 GLY H H 1 7.863 0.003 . 1 . . . . . 286 GLY H . 27080 1 1023 . 1 1 221 221 GLY C C 13 173.208 0.000 . 1 . . . . . 286 GLY C . 27080 1 1024 . 1 1 221 221 GLY CA C 13 44.527 0.092 . 1 . . . . . 286 GLY CA . 27080 1 1025 . 1 1 221 221 GLY N N 15 109.781 0.078 . 1 . . . . . 286 GLY N . 27080 1 1026 . 1 1 222 222 PHE H H 1 6.944 0.007 . 1 . . . . . 287 PHE H . 27080 1 1027 . 1 1 222 222 PHE C C 13 174.045 0.000 . 1 . . . . . 287 PHE C . 27080 1 1028 . 1 1 222 222 PHE CA C 13 60.543 0.054 . 1 . . . . . 287 PHE CA . 27080 1 1029 . 1 1 222 222 PHE CB C 13 35.927 0.067 . 1 . . . . . 287 PHE CB . 27080 1 1030 . 1 1 222 222 PHE N N 15 122.872 0.041 . 1 . . . . . 287 PHE N . 27080 1 1031 . 1 1 223 223 PHE H H 1 7.110 0.001 . 1 . . . . . 288 PHE H . 27080 1 1032 . 1 1 223 223 PHE C C 13 177.777 0.000 . 1 . . . . . 288 PHE C . 27080 1 1033 . 1 1 223 223 PHE CA C 13 53.927 0.000 . 1 . . . . . 288 PHE CA . 27080 1 1034 . 1 1 223 223 PHE CB C 13 35.215 0.004 . 1 . . . . . 288 PHE CB . 27080 1 1035 . 1 1 223 223 PHE N N 15 118.107 0.000 . 1 . . . . . 288 PHE N . 27080 1 1036 . 1 1 224 224 GLY H H 1 11.028 0.008 . 1 . . . . . 289 GLY H . 27080 1 1037 . 1 1 224 224 GLY C C 13 174.949 0.000 . 1 . . . . . 289 GLY C . 27080 1 1038 . 1 1 224 224 GLY CA C 13 43.288 0.053 . 1 . . . . . 289 GLY CA . 27080 1 1039 . 1 1 224 224 GLY N N 15 118.771 0.000 . 1 . . . . . 289 GLY N . 27080 1 1040 . 1 1 225 225 CYS H H 1 7.762 0.002 . 1 . . . . . 290 CYS H . 27080 1 1041 . 1 1 225 225 CYS C C 13 174.642 0.002 . 1 . . . . . 290 CYS C . 27080 1 1042 . 1 1 225 225 CYS CA C 13 58.347 0.090 . 1 . . . . . 290 CYS CA . 27080 1 1043 . 1 1 225 225 CYS CB C 13 25.940 0.047 . 1 . . . . . 290 CYS CB . 27080 1 1044 . 1 1 225 225 CYS N N 15 120.968 0.003 . 1 . . . . . 290 CYS N . 27080 1 1045 . 1 1 226 226 ARG H H 1 9.015 0.003 . 1 . . . . . 291 ARG H . 27080 1 1046 . 1 1 226 226 ARG C C 13 175.724 0.000 . 1 . . . . . 291 ARG C . 27080 1 1047 . 1 1 226 226 ARG CA C 13 56.153 0.000 . 1 . . . . . 291 ARG CA . 27080 1 1048 . 1 1 226 226 ARG CB C 13 32.314 0.000 . 1 . . . . . 291 ARG CB . 27080 1 1049 . 1 1 226 226 ARG N N 15 120.077 0.095 . 1 . . . . . 291 ARG N . 27080 1 1050 . 1 1 227 227 HIS H H 1 8.057 0.002 . 1 . . . . . 292 HIS H . 27080 1 1051 . 1 1 227 227 HIS C C 13 176.048 0.000 . 1 . . . . . 292 HIS C . 27080 1 1052 . 1 1 227 227 HIS CA C 13 53.755 0.000 . 1 . . . . . 292 HIS CA . 27080 1 1053 . 1 1 227 227 HIS CB C 13 26.601 0.000 . 1 . . . . . 292 HIS CB . 27080 1 1054 . 1 1 227 227 HIS N N 15 121.918 0.000 . 1 . . . . . 292 HIS N . 27080 1 1055 . 1 1 228 228 PHE H H 1 8.934 0.001 . 1 . . . . . 293 PHE H . 27080 1 1056 . 1 1 228 228 PHE C C 13 177.818 0.000 . 1 . . . . . 293 PHE C . 27080 1 1057 . 1 1 228 228 PHE CA C 13 55.830 0.000 . 1 . . . . . 293 PHE CA . 27080 1 1058 . 1 1 228 228 PHE CB C 13 39.802 0.000 . 1 . . . . . 293 PHE CB . 27080 1 1059 . 1 1 228 228 PHE N N 15 124.607 0.000 . 1 . . . . . 293 PHE N . 27080 1 1060 . 1 1 229 229 SER H H 1 9.597 0.006 . 1 . . . . . 294 SER H . 27080 1 1061 . 1 1 229 229 SER C C 13 180.055 0.000 . 1 . . . . . 294 SER C . 27080 1 1062 . 1 1 229 229 SER CA C 13 58.216 0.000 . 1 . . . . . 294 SER CA . 27080 1 1063 . 1 1 229 229 SER CB C 13 59.684 0.000 . 1 . . . . . 294 SER CB . 27080 1 1064 . 1 1 229 229 SER N N 15 127.846 0.043 . 1 . . . . . 294 SER N . 27080 1 1065 . 1 1 230 230 LYS H H 1 8.026 0.003 . 1 . . . . . 295 LYS H . 27080 1 1066 . 1 1 230 230 LYS C C 13 178.667 0.000 . 1 . . . . . 295 LYS C . 27080 1 1067 . 1 1 230 230 LYS CA C 13 55.833 0.000 . 1 . . . . . 295 LYS CA . 27080 1 1068 . 1 1 230 230 LYS CB C 13 31.303 0.017 . 1 . . . . . 295 LYS CB . 27080 1 1069 . 1 1 230 230 LYS N N 15 122.321 0.000 . 1 . . . . . 295 LYS N . 27080 1 1070 . 1 1 231 231 THR H H 1 7.950 0.002 . 1 . . . . . 296 THR H . 27080 1 1071 . 1 1 231 231 THR C C 13 175.108 0.000 . 1 . . . . . 296 THR C . 27080 1 1072 . 1 1 231 231 THR CA C 13 63.447 0.000 . 1 . . . . . 296 THR CA . 27080 1 1073 . 1 1 231 231 THR CB C 13 68.093 0.000 . 1 . . . . . 296 THR CB . 27080 1 1074 . 1 1 231 231 THR N N 15 118.153 0.000 . 1 . . . . . 296 THR N . 27080 1 1075 . 1 1 232 232 ASN H H 1 8.522 0.001 . 1 . . . . . 297 ASN H . 27080 1 1076 . 1 1 232 232 ASN C C 13 177.579 0.000 . 1 . . . . . 297 ASN C . 27080 1 1077 . 1 1 232 232 ASN CA C 13 54.809 0.000 . 1 . . . . . 297 ASN CA . 27080 1 1078 . 1 1 232 232 ASN CB C 13 40.775 0.000 . 1 . . . . . 297 ASN CB . 27080 1 1079 . 1 1 232 232 ASN N N 15 119.664 0.000 . 1 . . . . . 297 ASN N . 27080 1 1080 . 1 1 233 233 GLU H H 1 8.081 0.000 . 1 . . . . . 298 GLU H . 27080 1 1081 . 1 1 233 233 GLU C C 13 174.824 0.000 . 1 . . . . . 298 GLU C . 27080 1 1082 . 1 1 233 233 GLU CA C 13 52.896 0.000 . 1 . . . . . 298 GLU CA . 27080 1 1083 . 1 1 233 233 GLU CB C 13 28.407 0.000 . 1 . . . . . 298 GLU CB . 27080 1 1084 . 1 1 233 233 GLU N N 15 124.583 0.000 . 1 . . . . . 298 GLU N . 27080 1 1085 . 1 1 234 234 LEU H H 1 8.646 0.001 . 1 . . . . . 299 LEU H . 27080 1 1086 . 1 1 234 234 LEU C C 13 177.407 0.000 . 1 . . . . . 299 LEU C . 27080 1 1087 . 1 1 234 234 LEU CA C 13 53.758 0.000 . 1 . . . . . 299 LEU CA . 27080 1 1088 . 1 1 234 234 LEU CB C 13 42.211 0.000 . 1 . . . . . 299 LEU CB . 27080 1 1089 . 1 1 234 234 LEU N N 15 123.440 0.000 . 1 . . . . . 299 LEU N . 27080 1 1090 . 1 1 235 235 LEU H H 1 7.616 0.001 . 1 . . . . . 300 LEU H . 27080 1 1091 . 1 1 235 235 LEU C C 13 176.568 0.000 . 1 . . . . . 300 LEU C . 27080 1 1092 . 1 1 235 235 LEU CA C 13 51.802 0.000 . 1 . . . . . 300 LEU CA . 27080 1 1093 . 1 1 235 235 LEU CB C 13 41.804 0.000 . 1 . . . . . 300 LEU CB . 27080 1 1094 . 1 1 235 235 LEU N N 15 128.413 0.000 . 1 . . . . . 300 LEU N . 27080 1 1095 . 1 1 236 236 GLN H H 1 6.737 0.004 . 1 . . . . . 301 GLN H . 27080 1 1096 . 1 1 236 236 GLN C C 13 180.081 0.000 . 1 . . . . . 301 GLN C . 27080 1 1097 . 1 1 236 236 GLN CA C 13 57.690 0.000 . 1 . . . . . 301 GLN CA . 27080 1 1098 . 1 1 236 236 GLN CB C 13 25.667 0.000 . 1 . . . . . 301 GLN CB . 27080 1 1099 . 1 1 236 236 GLN N N 15 114.719 0.000 . 1 . . . . . 301 GLN N . 27080 1 1100 . 1 1 237 237 LYS H H 1 7.925 0.002 . 1 . . . . . 302 LYS H . 27080 1 1101 . 1 1 237 237 LYS C C 13 177.528 0.000 . 1 . . . . . 302 LYS C . 27080 1 1102 . 1 1 237 237 LYS CA C 13 58.018 0.010 . 1 . . . . . 302 LYS CA . 27080 1 1103 . 1 1 237 237 LYS CB C 13 30.951 0.085 . 1 . . . . . 302 LYS CB . 27080 1 1104 . 1 1 237 237 LYS N N 15 122.286 0.002 . 1 . . . . . 302 LYS N . 27080 1 1105 . 1 1 238 238 SER H H 1 7.502 0.001 . 1 . . . . . 303 SER H . 27080 1 1106 . 1 1 238 238 SER C C 13 173.801 0.000 . 1 . . . . . 303 SER C . 27080 1 1107 . 1 1 238 238 SER CA C 13 57.025 0.012 . 1 . . . . . 303 SER CA . 27080 1 1108 . 1 1 238 238 SER CB C 13 62.633 0.074 . 1 . . . . . 303 SER CB . 27080 1 1109 . 1 1 238 238 SER N N 15 114.084 0.038 . 1 . . . . . 303 SER N . 27080 1 1110 . 1 1 239 239 GLY H H 1 7.850 0.002 . 1 . . . . . 304 GLY H . 27080 1 1111 . 1 1 239 239 GLY C C 13 173.897 0.000 . 1 . . . . . 304 GLY C . 27080 1 1112 . 1 1 239 239 GLY CA C 13 44.541 0.061 . 1 . . . . . 304 GLY CA . 27080 1 1113 . 1 1 239 239 GLY N N 15 110.830 0.000 . 1 . . . . . 304 GLY N . 27080 1 1114 . 1 1 240 240 LYS H H 1 7.944 0.002 . 1 . . . . . 305 LYS H . 27080 1 1115 . 1 1 240 240 LYS C C 13 174.011 0.000 . 1 . . . . . 305 LYS C . 27080 1 1116 . 1 1 240 240 LYS CA C 13 53.141 0.004 . 1 . . . . . 305 LYS CA . 27080 1 1117 . 1 1 240 240 LYS CB C 13 34.417 0.083 . 1 . . . . . 305 LYS CB . 27080 1 1118 . 1 1 240 240 LYS N N 15 121.181 0.003 . 1 . . . . . 305 LYS N . 27080 1 1119 . 1 1 241 241 LYS H H 1 8.158 0.005 . 1 . . . . . 306 LYS H . 27080 1 1120 . 1 1 241 241 LYS CA C 13 51.669 0.000 . 1 . . . . . 306 LYS CA . 27080 1 1121 . 1 1 241 241 LYS CB C 13 32.040 0.000 . 1 . . . . . 306 LYS CB . 27080 1 1122 . 1 1 241 241 LYS N N 15 124.072 0.001 . 1 . . . . . 306 LYS N . 27080 1 1123 . 1 1 242 242 PRO C C 13 176.057 0.000 . 1 . . . . . 307 PRO C . 27080 1 1124 . 1 1 242 242 PRO CA C 13 60.886 0.000 . 1 . . . . . 307 PRO CA . 27080 1 1125 . 1 1 242 242 PRO CB C 13 30.865 0.000 . 1 . . . . . 307 PRO CB . 27080 1 1126 . 1 1 243 243 ILE H H 1 8.272 0.008 . 1 . . . . . 308 ILE H . 27080 1 1127 . 1 1 243 243 ILE C C 13 175.760 0.000 . 1 . . . . . 308 ILE C . 27080 1 1128 . 1 1 243 243 ILE CA C 13 56.761 0.000 . 1 . . . . . 308 ILE CA . 27080 1 1129 . 1 1 243 243 ILE CB C 13 34.143 0.019 . 1 . . . . . 308 ILE CB . 27080 1 1130 . 1 1 243 243 ILE N N 15 122.166 0.048 . 1 . . . . . 308 ILE N . 27080 1 1131 . 1 1 244 244 ASP H H 1 9.198 0.003 . 1 . . . . . 309 ASP H . 27080 1 1132 . 1 1 244 244 ASP C C 13 178.505 0.000 . 1 . . . . . 309 ASP C . 27080 1 1133 . 1 1 244 244 ASP CA C 13 51.194 0.035 . 1 . . . . . 309 ASP CA . 27080 1 1134 . 1 1 244 244 ASP CB C 13 38.121 0.075 . 1 . . . . . 309 ASP CB . 27080 1 1135 . 1 1 244 244 ASP N N 15 128.144 0.031 . 1 . . . . . 309 ASP N . 27080 1 1136 . 1 1 245 245 TRP H H 1 7.749 0.004 . 1 . . . . . 310 TRP H . 27080 1 1137 . 1 1 245 245 TRP C C 13 176.941 0.000 . 1 . . . . . 310 TRP C . 27080 1 1138 . 1 1 245 245 TRP CA C 13 56.739 0.000 . 1 . . . . . 310 TRP CA . 27080 1 1139 . 1 1 245 245 TRP CB C 13 28.791 0.000 . 1 . . . . . 310 TRP CB . 27080 1 1140 . 1 1 245 245 TRP N N 15 127.783 0.000 . 1 . . . . . 310 TRP N . 27080 1 1141 . 1 1 246 246 LYS H H 1 7.011 0.014 . 1 . . . . . 311 LYS H . 27080 1 1142 . 1 1 246 246 LYS C C 13 174.402 0.000 . 1 . . . . . 311 LYS C . 27080 1 1143 . 1 1 246 246 LYS CA C 13 55.638 0.000 . 1 . . . . . 311 LYS CA . 27080 1 1144 . 1 1 246 246 LYS CB C 13 33.026 0.000 . 1 . . . . . 311 LYS CB . 27080 1 1145 . 1 1 246 246 LYS N N 15 115.611 0.030 . 1 . . . . . 311 LYS N . 27080 1 1146 . 1 1 247 247 GLU H H 1 11.154 0.025 . 1 . . . . . 312 GLU H . 27080 1 1147 . 1 1 247 247 GLU C C 13 171.530 0.000 . 1 . . . . . 312 GLU C . 27080 1 1148 . 1 1 247 247 GLU CA C 13 56.923 0.000 . 1 . . . . . 312 GLU CA . 27080 1 1149 . 1 1 247 247 GLU CB C 13 24.677 0.000 . 1 . . . . . 312 GLU CB . 27080 1 1150 . 1 1 247 247 GLU N N 15 121.621 0.000 . 1 . . . . . 312 GLU N . 27080 1 1151 . 1 1 248 248 LEU H H 1 7.158 0.002 . 1 . . . . . 313 LEU H . 27080 1 1152 . 1 1 248 248 LEU CA C 13 54.049 0.000 . 1 . . . . . 313 LEU CA . 27080 1 1153 . 1 1 248 248 LEU CB C 13 46.864 0.000 . 1 . . . . . 313 LEU CB . 27080 1 1154 . 1 1 248 248 LEU N N 15 131.851 0.000 . 1 . . . . . 313 LEU N . 27080 1 stop_ save_