data_50270 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50270 _Entry.Title ; Cre Recombinase Catalytic Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-12 _Entry.Accession_date 2020-05-12 _Entry.Last_release_date 2020-05-12 _Entry.Original_release_date 2020-05-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Aparna Unnikrishnan . . . https://orcid.org/0000-0002-6668-8659 50270 2 Mark Foster . P. . https://orcid.org/0000-0001-9645-7491 50270 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Ohio State University' . 50270 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50270 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 595 50270 '15N chemical shifts' 196 50270 '1H chemical shifts' 362 50270 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 1 . . 2021-08-11 . original BMRB . 50270 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50270 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32968014 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; DNA binding induces a cis-to- trans switch in Cre recombinase to enable intasome assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 40 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 24849 _Citation.Page_last 24858 _Citation.Year 2020 _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 Aparna Unnikrishnan A. . . . 50270 1 2 Carlos Amero C. . . . 50270 1 3 'Deepak Kumar' Yadav D. K. . . 50270 1 4 Kye Stachowski K. . . . 50270 1 5 Devante Potter D. . . . 50270 1 6 Mark Foster M. P. . . 50270 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50270 _Assembly.ID 1 _Assembly.Name 'Cre Recombinase Catalytic Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Cre Recombinase Catalytic DomainCre Recombinase Catalytic Domain' 1 $entity_1 . . yes native no no . . . 50270 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50270 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; AGERAKQALAFERTDFDQVR SLMENSDRCQDIRNLAFLGI AYNTLLRIAEIARIRVKDIS RTDGGRMLIHIGRTKTLVST AGVEKALSLGVTKLVERWIS VSGVADDPNNYLFCRVRKNG VAAPSATSQLSTRALEGIFE ATHRLIYGAKDDSGQRYLAW SGHSARVGAARDMARAGVSI PEIMQAGGWTNVNIVMNYIR NLDSETGAMVRLLEDGD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 127 A 128 G 129 E ..... 341 D 342 G 343 D ; _Entity.Polymer_author_seq_details 'Residue numbers 127 to 343 in Cre Recombinase' _Entity.Ambiguous_conformational_states yes _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Cre Recombinase Catalytic Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23814.1 _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 1 127 ALA . 50270 1 2 128 GLY . 50270 1 3 129 GLU . 50270 1 4 130 ARG . 50270 1 5 131 ALA . 50270 1 6 132 LYS . 50270 1 7 133 GLN . 50270 1 8 134 ALA . 50270 1 9 135 LEU . 50270 1 10 136 ALA . 50270 1 11 137 PHE . 50270 1 12 138 GLU . 50270 1 13 139 ARG . 50270 1 14 140 THR . 50270 1 15 141 ASP . 50270 1 16 142 PHE . 50270 1 17 143 ASP . 50270 1 18 144 GLN . 50270 1 19 145 VAL . 50270 1 20 146 ARG . 50270 1 21 147 SER . 50270 1 22 148 LEU . 50270 1 23 149 MET . 50270 1 24 150 GLU . 50270 1 25 151 ASN . 50270 1 26 152 SER . 50270 1 27 153 ASP . 50270 1 28 154 ARG . 50270 1 29 155 CYS . 50270 1 30 156 GLN . 50270 1 31 157 ASP . 50270 1 32 158 ILE . 50270 1 33 159 ARG . 50270 1 34 160 ASN . 50270 1 35 161 LEU . 50270 1 36 162 ALA . 50270 1 37 163 PHE . 50270 1 38 164 LEU . 50270 1 39 165 GLY . 50270 1 40 166 ILE . 50270 1 41 167 ALA . 50270 1 42 168 TYR . 50270 1 43 169 ASN . 50270 1 44 170 THR . 50270 1 45 171 LEU . 50270 1 46 172 LEU . 50270 1 47 173 ARG . 50270 1 48 174 ILE . 50270 1 49 175 ALA . 50270 1 50 176 GLU . 50270 1 51 177 ILE . 50270 1 52 178 ALA . 50270 1 53 179 ARG . 50270 1 54 180 ILE . 50270 1 55 181 ARG . 50270 1 56 182 VAL . 50270 1 57 183 LYS . 50270 1 58 184 ASP . 50270 1 59 185 ILE . 50270 1 60 186 SER . 50270 1 61 187 ARG . 50270 1 62 188 THR . 50270 1 63 189 ASP . 50270 1 64 190 GLY . 50270 1 65 191 GLY . 50270 1 66 192 ARG . 50270 1 67 193 MET . 50270 1 68 194 LEU . 50270 1 69 195 ILE . 50270 1 70 196 HIS . 50270 1 71 197 ILE . 50270 1 72 198 GLY . 50270 1 73 199 ARG . 50270 1 74 200 THR . 50270 1 75 201 LYS . 50270 1 76 202 THR . 50270 1 77 203 LEU . 50270 1 78 204 VAL . 50270 1 79 205 SER . 50270 1 80 206 THR . 50270 1 81 207 ALA . 50270 1 82 208 GLY . 50270 1 83 209 VAL . 50270 1 84 210 GLU . 50270 1 85 211 LYS . 50270 1 86 212 ALA . 50270 1 87 213 LEU . 50270 1 88 214 SER . 50270 1 89 215 LEU . 50270 1 90 216 GLY . 50270 1 91 217 VAL . 50270 1 92 218 THR . 50270 1 93 219 LYS . 50270 1 94 220 LEU . 50270 1 95 221 VAL . 50270 1 96 222 GLU . 50270 1 97 223 ARG . 50270 1 98 224 TRP . 50270 1 99 225 ILE . 50270 1 100 226 SER . 50270 1 101 227 VAL . 50270 1 102 228 SER . 50270 1 103 229 GLY . 50270 1 104 230 VAL . 50270 1 105 231 ALA . 50270 1 106 232 ASP . 50270 1 107 233 ASP . 50270 1 108 234 PRO . 50270 1 109 235 ASN . 50270 1 110 236 ASN . 50270 1 111 237 TYR . 50270 1 112 238 LEU . 50270 1 113 239 PHE . 50270 1 114 240 CYS . 50270 1 115 241 ARG . 50270 1 116 242 VAL . 50270 1 117 243 ARG . 50270 1 118 244 LYS . 50270 1 119 245 ASN . 50270 1 120 246 GLY . 50270 1 121 247 VAL . 50270 1 122 248 ALA . 50270 1 123 249 ALA . 50270 1 124 250 PRO . 50270 1 125 251 SER . 50270 1 126 252 ALA . 50270 1 127 253 THR . 50270 1 128 254 SER . 50270 1 129 255 GLN . 50270 1 130 256 LEU . 50270 1 131 257 SER . 50270 1 132 258 THR . 50270 1 133 259 ARG . 50270 1 134 260 ALA . 50270 1 135 261 LEU . 50270 1 136 262 GLU . 50270 1 137 263 GLY . 50270 1 138 264 ILE . 50270 1 139 265 PHE . 50270 1 140 266 GLU . 50270 1 141 267 ALA . 50270 1 142 268 THR . 50270 1 143 269 HIS . 50270 1 144 270 ARG . 50270 1 145 271 LEU . 50270 1 146 272 ILE . 50270 1 147 273 TYR . 50270 1 148 274 GLY . 50270 1 149 275 ALA . 50270 1 150 276 LYS . 50270 1 151 277 ASP . 50270 1 152 278 ASP . 50270 1 153 279 SER . 50270 1 154 280 GLY . 50270 1 155 281 GLN . 50270 1 156 282 ARG . 50270 1 157 283 TYR . 50270 1 158 284 LEU . 50270 1 159 285 ALA . 50270 1 160 286 TRP . 50270 1 161 287 SER . 50270 1 162 288 GLY . 50270 1 163 289 HIS . 50270 1 164 290 SER . 50270 1 165 291 ALA . 50270 1 166 292 ARG . 50270 1 167 293 VAL . 50270 1 168 294 GLY . 50270 1 169 295 ALA . 50270 1 170 296 ALA . 50270 1 171 297 ARG . 50270 1 172 298 ASP . 50270 1 173 299 MET . 50270 1 174 300 ALA . 50270 1 175 301 ARG . 50270 1 176 302 ALA . 50270 1 177 303 GLY . 50270 1 178 304 VAL . 50270 1 179 305 SER . 50270 1 180 306 ILE . 50270 1 181 307 PRO . 50270 1 182 308 GLU . 50270 1 183 309 ILE . 50270 1 184 310 MET . 50270 1 185 311 GLN . 50270 1 186 312 ALA . 50270 1 187 313 GLY . 50270 1 188 314 GLY . 50270 1 189 315 TRP . 50270 1 190 316 THR . 50270 1 191 317 ASN . 50270 1 192 318 VAL . 50270 1 193 319 ASN . 50270 1 194 320 ILE . 50270 1 195 321 VAL . 50270 1 196 322 MET . 50270 1 197 323 ASN . 50270 1 198 324 TYR . 50270 1 199 325 ILE . 50270 1 200 326 ARG . 50270 1 201 327 ASN . 50270 1 202 328 LEU . 50270 1 203 329 ASP . 50270 1 204 330 SER . 50270 1 205 331 GLU . 50270 1 206 332 THR . 50270 1 207 333 GLY . 50270 1 208 334 ALA . 50270 1 209 335 MET . 50270 1 210 336 VAL . 50270 1 211 337 ARG . 50270 1 212 338 LEU . 50270 1 213 339 LEU . 50270 1 214 340 GLU . 50270 1 215 341 ASP . 50270 1 216 342 GLY . 50270 1 217 343 ASP . 50270 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 . ALA 1 1 50270 1 . GLY 2 2 50270 1 . GLU 3 3 50270 1 . ARG 4 4 50270 1 . ALA 5 5 50270 1 . LYS 6 6 50270 1 . GLN 7 7 50270 1 . ALA 8 8 50270 1 . LEU 9 9 50270 1 . ALA 10 10 50270 1 . PHE 11 11 50270 1 . GLU 12 12 50270 1 . ARG 13 13 50270 1 . THR 14 14 50270 1 . ASP 15 15 50270 1 . PHE 16 16 50270 1 . ASP 17 17 50270 1 . GLN 18 18 50270 1 . VAL 19 19 50270 1 . ARG 20 20 50270 1 . SER 21 21 50270 1 . LEU 22 22 50270 1 . MET 23 23 50270 1 . GLU 24 24 50270 1 . ASN 25 25 50270 1 . SER 26 26 50270 1 . ASP 27 27 50270 1 . ARG 28 28 50270 1 . CYS 29 29 50270 1 . GLN 30 30 50270 1 . ASP 31 31 50270 1 . ILE 32 32 50270 1 . ARG 33 33 50270 1 . ASN 34 34 50270 1 . LEU 35 35 50270 1 . ALA 36 36 50270 1 . PHE 37 37 50270 1 . LEU 38 38 50270 1 . GLY 39 39 50270 1 . ILE 40 40 50270 1 . ALA 41 41 50270 1 . TYR 42 42 50270 1 . ASN 43 43 50270 1 . THR 44 44 50270 1 . LEU 45 45 50270 1 . LEU 46 46 50270 1 . ARG 47 47 50270 1 . ILE 48 48 50270 1 . ALA 49 49 50270 1 . GLU 50 50 50270 1 . ILE 51 51 50270 1 . ALA 52 52 50270 1 . ARG 53 53 50270 1 . ILE 54 54 50270 1 . ARG 55 55 50270 1 . VAL 56 56 50270 1 . LYS 57 57 50270 1 . ASP 58 58 50270 1 . ILE 59 59 50270 1 . SER 60 60 50270 1 . ARG 61 61 50270 1 . THR 62 62 50270 1 . ASP 63 63 50270 1 . GLY 64 64 50270 1 . GLY 65 65 50270 1 . ARG 66 66 50270 1 . MET 67 67 50270 1 . LEU 68 68 50270 1 . ILE 69 69 50270 1 . HIS 70 70 50270 1 . ILE 71 71 50270 1 . GLY 72 72 50270 1 . ARG 73 73 50270 1 . THR 74 74 50270 1 . LYS 75 75 50270 1 . THR 76 76 50270 1 . LEU 77 77 50270 1 . VAL 78 78 50270 1 . SER 79 79 50270 1 . THR 80 80 50270 1 . ALA 81 81 50270 1 . GLY 82 82 50270 1 . VAL 83 83 50270 1 . GLU 84 84 50270 1 . LYS 85 85 50270 1 . ALA 86 86 50270 1 . LEU 87 87 50270 1 . SER 88 88 50270 1 . LEU 89 89 50270 1 . GLY 90 90 50270 1 . VAL 91 91 50270 1 . THR 92 92 50270 1 . LYS 93 93 50270 1 . LEU 94 94 50270 1 . VAL 95 95 50270 1 . GLU 96 96 50270 1 . ARG 97 97 50270 1 . TRP 98 98 50270 1 . ILE 99 99 50270 1 . SER 100 100 50270 1 . VAL 101 101 50270 1 . SER 102 102 50270 1 . GLY 103 103 50270 1 . VAL 104 104 50270 1 . ALA 105 105 50270 1 . ASP 106 106 50270 1 . ASP 107 107 50270 1 . PRO 108 108 50270 1 . ASN 109 109 50270 1 . ASN 110 110 50270 1 . TYR 111 111 50270 1 . LEU 112 112 50270 1 . PHE 113 113 50270 1 . CYS 114 114 50270 1 . ARG 115 115 50270 1 . VAL 116 116 50270 1 . ARG 117 117 50270 1 . LYS 118 118 50270 1 . ASN 119 119 50270 1 . GLY 120 120 50270 1 . VAL 121 121 50270 1 . ALA 122 122 50270 1 . ALA 123 123 50270 1 . PRO 124 124 50270 1 . SER 125 125 50270 1 . ALA 126 126 50270 1 . THR 127 127 50270 1 . SER 128 128 50270 1 . GLN 129 129 50270 1 . LEU 130 130 50270 1 . SER 131 131 50270 1 . THR 132 132 50270 1 . ARG 133 133 50270 1 . ALA 134 134 50270 1 . LEU 135 135 50270 1 . GLU 136 136 50270 1 . GLY 137 137 50270 1 . ILE 138 138 50270 1 . PHE 139 139 50270 1 . GLU 140 140 50270 1 . ALA 141 141 50270 1 . THR 142 142 50270 1 . HIS 143 143 50270 1 . ARG 144 144 50270 1 . LEU 145 145 50270 1 . ILE 146 146 50270 1 . TYR 147 147 50270 1 . GLY 148 148 50270 1 . ALA 149 149 50270 1 . LYS 150 150 50270 1 . ASP 151 151 50270 1 . ASP 152 152 50270 1 . SER 153 153 50270 1 . GLY 154 154 50270 1 . GLN 155 155 50270 1 . ARG 156 156 50270 1 . TYR 157 157 50270 1 . LEU 158 158 50270 1 . ALA 159 159 50270 1 . TRP 160 160 50270 1 . SER 161 161 50270 1 . GLY 162 162 50270 1 . HIS 163 163 50270 1 . SER 164 164 50270 1 . ALA 165 165 50270 1 . ARG 166 166 50270 1 . VAL 167 167 50270 1 . GLY 168 168 50270 1 . ALA 169 169 50270 1 . ALA 170 170 50270 1 . ARG 171 171 50270 1 . ASP 172 172 50270 1 . MET 173 173 50270 1 . ALA 174 174 50270 1 . ARG 175 175 50270 1 . ALA 176 176 50270 1 . GLY 177 177 50270 1 . VAL 178 178 50270 1 . SER 179 179 50270 1 . ILE 180 180 50270 1 . PRO 181 181 50270 1 . GLU 182 182 50270 1 . ILE 183 183 50270 1 . MET 184 184 50270 1 . GLN 185 185 50270 1 . ALA 186 186 50270 1 . GLY 187 187 50270 1 . GLY 188 188 50270 1 . TRP 189 189 50270 1 . THR 190 190 50270 1 . ASN 191 191 50270 1 . VAL 192 192 50270 1 . ASN 193 193 50270 1 . ILE 194 194 50270 1 . VAL 195 195 50270 1 . MET 196 196 50270 1 . ASN 197 197 50270 1 . TYR 198 198 50270 1 . ILE 199 199 50270 1 . ARG 200 200 50270 1 . ASN 201 201 50270 1 . LEU 202 202 50270 1 . ASP 203 203 50270 1 . SER 204 204 50270 1 . GLU 205 205 50270 1 . THR 206 206 50270 1 . GLY 207 207 50270 1 . ALA 208 208 50270 1 . MET 209 209 50270 1 . VAL 210 210 50270 1 . ARG 211 211 50270 1 . LEU 212 212 50270 1 . LEU 213 213 50270 1 . GLU 214 214 50270 1 . ASP 215 215 50270 1 . GLY 216 216 50270 1 . ASP 217 217 50270 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50270 _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 $entity_1 . 10678 organism . 'Bacteriophage P1' 'Escherichia virus P1' . . Viruses . Punavirus 'Bacteriophage P1' . . . . . . . . . . . . . 50270 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50270 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-21a . . . 50270 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50270 _Sample.ID 1 _Sample.Name 'Cre Recombinase Catalytic Domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cre Recombinase Catalytic Domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 750 500 1000 uM . . . . 50270 1 2 TRIS '[U-100% 2H]' . . . . . . 10 . . mM . . . . 50270 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50270 1 4 DSS 'natural abundance' . . . . . . 0.66 . . mM . . . . 50270 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50270 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 50270 1 7 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 50270 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 50270 _Sample_condition_list.ID 1 _Sample_condition_list.Name Uniform _Sample_condition_list.Details 'All experimental data was collected at the same temperature and pH conditions.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 50270 1 temperature 298 . K 50270 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50270 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50270 1 'data analysis' . 50270 1 processing . 50270 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50270 _Software.ID 2 _Software.Type . _Software.Name 'NMRFx Processor' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50270 2 'data analysis' . 50270 2 processing . 50270 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50270 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50270 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50270 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50270 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50270 _Experiment_list.ID 1 _Experiment_list.Details 'Backbone chemical shift assignments were obtained using TROSY and conventional versions of solution NMR experiments.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D Tr HNCO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50270 1 2 '3D Tr HN(CO)CA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50270 1 3 '3D Tr HN(CA)CO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50270 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50270 1 5 '3D HNCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50270 1 6 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50270 1 7 '3D HA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50270 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50270 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 DSS 'methyl protons' . . . . na 0 internal indirect 0.251449530 . . . . . 50270 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50270 1 N 15 DSS 'methyl protons' . . . . na 0 internal indirect 0.101329118 . . . . . 50270 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50270 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CreCat _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D Tr HNCO' . . . 50270 1 2 '3D Tr HN(CO)CA' . . . 50270 1 3 '3D Tr HN(CA)CO' . . . 50270 1 4 '3D CBCA(CO)NH' . . . 50270 1 5 '3D HNCA' . . . 50270 1 6 '2D 1H-15N HSQC' . . . 50270 1 7 '3D HA(CO)NH' . . . 50270 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50270 1 2 $software_2 . . 50270 1 3 $software_3 . . 50270 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 GLY C C 13 174.224 0 . 1 . . . . . 128 GLY C . 50270 1 2 . 1 . 1 2 2 GLY CA C 13 45.253 0 . 1 . . . . . 128 GLY CA . 50270 1 3 . 1 . 1 3 3 GLU H H 1 8.641 0 . 1 . . . . . 129 GLU H . 50270 1 4 . 1 . 1 3 3 GLU CA C 13 57.179 0 . 1 . . . . . 129 GLU CA . 50270 1 5 . 1 . 1 3 3 GLU CB C 13 29.973 0 . 1 . . . . . 129 GLU CB . 50270 1 6 . 1 . 1 3 3 GLU N N 15 121.098 0 . 1 . . . . . 129 GLU N . 50270 1 7 . 1 . 1 4 4 ARG HA H 1 4.288 0 . 1 . . . . . 130 ARG HA . 50270 1 8 . 1 . 1 4 4 ARG C C 13 176.055 0 . 1 . . . . . 130 ARG C . 50270 1 9 . 1 . 1 4 4 ARG CA C 13 55.997 0 . 1 . . . . . 130 ARG CA . 50270 1 10 . 1 . 1 4 4 ARG CB C 13 30.738 0 . 1 . . . . . 130 ARG CB . 50270 1 11 . 1 . 1 5 5 ALA H H 1 8.335 0 . 1 . . . . . 131 ALA H . 50270 1 12 . 1 . 1 5 5 ALA HA H 1 4.329 0 . 1 . . . . . 131 ALA HA . 50270 1 13 . 1 . 1 5 5 ALA C C 13 174.157 0 . 1 . . . . . 131 ALA C . 50270 1 14 . 1 . 1 5 5 ALA CA C 13 52.457 0 . 1 . . . . . 131 ALA CA . 50270 1 15 . 1 . 1 5 5 ALA CB C 13 19.322 0 . 1 . . . . . 131 ALA CB . 50270 1 16 . 1 . 1 5 5 ALA N N 15 125.545 0 . 1 . . . . . 131 ALA N . 50270 1 17 . 1 . 1 6 6 LYS H H 1 8.498 0 . 1 . . . . . 132 LYS H . 50270 1 18 . 1 . 1 6 6 LYS HA H 1 4.405 0 . 1 . . . . . 132 LYS HA . 50270 1 19 . 1 . 1 6 6 LYS C C 13 176.779 0 . 1 . . . . . 132 LYS C . 50270 1 20 . 1 . 1 6 6 LYS CA C 13 56.23 0 . 1 . . . . . 132 LYS CA . 50270 1 21 . 1 . 1 6 6 LYS CB C 13 33.065 0 . 1 . . . . . 132 LYS CB . 50270 1 22 . 1 . 1 6 6 LYS N N 15 120.818 0 . 1 . . . . . 132 LYS N . 50270 1 23 . 1 . 1 7 7 GLN H H 1 8.082 0 . 1 . . . . . 133 GLN H . 50270 1 24 . 1 . 1 7 7 GLN HA H 1 5.237 0 . 1 . . . . . 133 GLN HA . 50270 1 25 . 1 . 1 7 7 GLN C C 13 174.503 0 . 1 . . . . . 133 GLN C . 50270 1 26 . 1 . 1 7 7 GLN CA C 13 54.289 0 . 1 . . . . . 133 GLN CA . 50270 1 27 . 1 . 1 7 7 GLN CB C 13 33.001 0 . 1 . . . . . 133 GLN CB . 50270 1 28 . 1 . 1 7 7 GLN N N 15 119.811 0 . 1 . . . . . 133 GLN N . 50270 1 29 . 1 . 1 8 8 ALA H H 1 8.937 0 . 1 . . . . . 134 ALA H . 50270 1 30 . 1 . 1 8 8 ALA HA H 1 4.668 0 . 1 . . . . . 134 ALA HA . 50270 1 31 . 1 . 1 8 8 ALA C C 13 173.962 0 . 1 . . . . . 134 ALA C . 50270 1 32 . 1 . 1 8 8 ALA CA C 13 50.323 0 . 1 . . . . . 134 ALA CA . 50270 1 33 . 1 . 1 8 8 ALA CB C 13 22.466 0 . 1 . . . . . 134 ALA CB . 50270 1 34 . 1 . 1 8 8 ALA N N 15 120.705 0 . 1 . . . . . 134 ALA N . 50270 1 35 . 1 . 1 9 9 LEU H H 1 8.978 0 . 1 . . . . . 135 LEU H . 50270 1 36 . 1 . 1 9 9 LEU HA H 1 4.86 0 . 1 . . . . . 135 LEU HA . 50270 1 37 . 1 . 1 9 9 LEU C C 13 177.183 0 . 1 . . . . . 135 LEU C . 50270 1 38 . 1 . 1 9 9 LEU CA C 13 52.605 0 . 1 . . . . . 135 LEU CA . 50270 1 39 . 1 . 1 9 9 LEU CB C 13 43.847 0 . 1 . . . . . 135 LEU CB . 50270 1 40 . 1 . 1 9 9 LEU N N 15 122.418 0 . 1 . . . . . 135 LEU N . 50270 1 41 . 1 . 1 10 10 ALA H H 1 9.438 0 . 1 . . . . . 136 ALA H . 50270 1 42 . 1 . 1 10 10 ALA HA H 1 4.125 0 . 1 . . . . . 136 ALA HA . 50270 1 43 . 1 . 1 10 10 ALA C C 13 174.661 0 . 1 . . . . . 136 ALA C . 50270 1 44 . 1 . 1 10 10 ALA CA C 13 53.88 0 . 1 . . . . . 136 ALA CA . 50270 1 45 . 1 . 1 10 10 ALA CB C 13 19.812 0 . 1 . . . . . 136 ALA CB . 50270 1 46 . 1 . 1 10 10 ALA N N 15 130.946 0 . 1 . . . . . 136 ALA N . 50270 1 47 . 1 . 1 11 11 PHE H H 1 7.688 0 . 1 . . . . . 137 PHE H . 50270 1 48 . 1 . 1 11 11 PHE HA H 1 4.505 0 . 1 . . . . . 137 PHE HA . 50270 1 49 . 1 . 1 11 11 PHE C C 13 172.475 0 . 1 . . . . . 137 PHE C . 50270 1 50 . 1 . 1 11 11 PHE CA C 13 57.205 0 . 1 . . . . . 137 PHE CA . 50270 1 51 . 1 . 1 11 11 PHE CB C 13 40.147 0 . 1 . . . . . 137 PHE CB . 50270 1 52 . 1 . 1 11 11 PHE N N 15 125.237 0 . 1 . . . . . 137 PHE N . 50270 1 53 . 1 . 1 12 12 GLU H H 1 9.566 0 . 1 . . . . . 138 GLU H . 50270 1 54 . 1 . 1 12 12 GLU HA H 1 4.467 0 . 1 . . . . . 138 GLU HA . 50270 1 55 . 1 . 1 12 12 GLU C C 13 176.679 0 . 1 . . . . . 138 GLU C . 50270 1 56 . 1 . 1 12 12 GLU CA C 13 54.589 0 . 1 . . . . . 138 GLU CA . 50270 1 57 . 1 . 1 12 12 GLU CB C 13 32.57 0 . 1 . . . . . 138 GLU CB . 50270 1 58 . 1 . 1 12 12 GLU N N 15 124.148 0 . 1 . . . . . 138 GLU N . 50270 1 59 . 1 . 1 13 13 ARG H H 1 10.571 0 . 1 . . . . . 139 ARG H . 50270 1 60 . 1 . 1 13 13 ARG HA H 1 3.212 0 . 1 . . . . . 139 ARG HA . 50270 1 61 . 1 . 1 13 13 ARG C C 13 177.99 0 . 1 . . . . . 139 ARG C . 50270 1 62 . 1 . 1 13 13 ARG CA C 13 59.633 0 . 1 . . . . . 139 ARG CA . 50270 1 63 . 1 . 1 13 13 ARG CB C 13 27.59 0 . 1 . . . . . 139 ARG CB . 50270 1 64 . 1 . 1 13 13 ARG N N 15 125.353 0 . 1 . . . . . 139 ARG N . 50270 1 65 . 1 . 1 14 14 THR H H 1 7.601 0 . 1 . . . . . 140 THR H . 50270 1 66 . 1 . 1 14 14 THR HA H 1 4.01 0 . 1 . . . . . 140 THR HA . 50270 1 67 . 1 . 1 14 14 THR C C 13 177.688 0 . 1 . . . . . 140 THR C . 50270 1 68 . 1 . 1 14 14 THR CA C 13 64.49 0 . 1 . . . . . 140 THR CA . 50270 1 69 . 1 . 1 14 14 THR CB C 13 67.543 0 . 1 . . . . . 140 THR CB . 50270 1 70 . 1 . 1 14 14 THR N N 15 106.208 0 . 1 . . . . . 140 THR N . 50270 1 71 . 1 . 1 15 15 ASP H H 1 6.802 0 . 1 . . . . . 141 ASP H . 50270 1 72 . 1 . 1 15 15 ASP C C 13 176.78 0 . 1 . . . . . 141 ASP C . 50270 1 73 . 1 . 1 15 15 ASP CA C 13 57.223 0 . 1 . . . . . 141 ASP CA . 50270 1 74 . 1 . 1 15 15 ASP CB C 13 41.601 0 . 1 . . . . . 141 ASP CB . 50270 1 75 . 1 . 1 15 15 ASP N N 15 122.086 0 . 1 . . . . . 141 ASP N . 50270 1 76 . 1 . 1 16 16 PHE H H 1 7.938 0 . 1 . . . . . 142 PHE H . 50270 1 77 . 1 . 1 16 16 PHE HA H 1 3.912 0 . 1 . . . . . 142 PHE HA . 50270 1 78 . 1 . 1 16 16 PHE C C 13 176.948 0 . 1 . . . . . 142 PHE C . 50270 1 79 . 1 . 1 16 16 PHE CA C 13 59.508 0 . 1 . . . . . 142 PHE CA . 50270 1 80 . 1 . 1 16 16 PHE CB C 13 37.185 0 . 1 . . . . . 142 PHE CB . 50270 1 81 . 1 . 1 16 16 PHE N N 15 119.792 0 . 1 . . . . . 142 PHE N . 50270 1 82 . 1 . 1 17 17 ASP H H 1 8.882 0 . 1 . . . . . 143 ASP H . 50270 1 83 . 1 . 1 17 17 ASP HA H 1 3.99 0 . 1 . . . . . 143 ASP HA . 50270 1 84 . 1 . 1 17 17 ASP C C 13 179.167 0 . 1 . . . . . 143 ASP C . 50270 1 85 . 1 . 1 17 17 ASP CA C 13 57.658 0 . 1 . . . . . 143 ASP CA . 50270 1 86 . 1 . 1 17 17 ASP CB C 13 39.548 0 . 1 . . . . . 143 ASP CB . 50270 1 87 . 1 . 1 17 17 ASP N N 15 119.047 0 . 1 . . . . . 143 ASP N . 50270 1 88 . 1 . 1 18 18 GLN H H 1 7.513 0 . 1 . . . . . 144 GLN H . 50270 1 89 . 1 . 1 18 18 GLN HA H 1 4.061 0 . 1 . . . . . 144 GLN HA . 50270 1 90 . 1 . 1 18 18 GLN C C 13 179.053 0 . 1 . . . . . 144 GLN C . 50270 1 91 . 1 . 1 18 18 GLN CA C 13 59.271 0 . 1 . . . . . 144 GLN CA . 50270 1 92 . 1 . 1 18 18 GLN CB C 13 28.693 0 . 1 . . . . . 144 GLN CB . 50270 1 93 . 1 . 1 18 18 GLN N N 15 121.934 0 . 1 . . . . . 144 GLN N . 50270 1 94 . 1 . 1 19 19 VAL H H 1 8.573 0 . 1 . . . . . 145 VAL H . 50270 1 95 . 1 . 1 19 19 VAL HA H 1 3.566 0 . 1 . . . . . 145 VAL HA . 50270 1 96 . 1 . 1 19 19 VAL C C 13 178.083 0 . 1 . . . . . 145 VAL C . 50270 1 97 . 1 . 1 19 19 VAL CA C 13 67.068 0 . 1 . . . . . 145 VAL CA . 50270 1 98 . 1 . 1 19 19 VAL CB C 13 31.5 0 . 1 . . . . . 145 VAL CB . 50270 1 99 . 1 . 1 19 19 VAL N N 15 120.267 0 . 1 . . . . . 145 VAL N . 50270 1 100 . 1 . 1 20 20 ARG H H 1 8.834 0 . 1 . . . . . 146 ARG H . 50270 1 101 . 1 . 1 20 20 ARG HA H 1 3.745 0 . 1 . . . . . 146 ARG HA . 50270 1 102 . 1 . 1 20 20 ARG C C 13 178.172 0 . 1 . . . . . 146 ARG C . 50270 1 103 . 1 . 1 20 20 ARG CA C 13 60.564 0 . 1 . . . . . 146 ARG CA . 50270 1 104 . 1 . 1 20 20 ARG CB C 13 29.078 0 . 1 . . . . . 146 ARG CB . 50270 1 105 . 1 . 1 20 20 ARG N N 15 120.194 0 . 1 . . . . . 146 ARG N . 50270 1 106 . 1 . 1 21 21 SER H H 1 7.909 0 . 1 . . . . . 147 SER H . 50270 1 107 . 1 . 1 21 21 SER HA H 1 4.155 0 . 1 . . . . . 147 SER HA . 50270 1 108 . 1 . 1 21 21 SER C C 13 176.309 0 . 1 . . . . . 147 SER C . 50270 1 109 . 1 . 1 21 21 SER CA C 13 61.687 0 . 1 . . . . . 147 SER CA . 50270 1 110 . 1 . 1 21 21 SER CB C 13 62.793 0 . 1 . . . . . 147 SER CB . 50270 1 111 . 1 . 1 21 21 SER N N 15 113.6 0 . 1 . . . . . 147 SER N . 50270 1 112 . 1 . 1 22 22 LEU H H 1 7.426 0 . 1 . . . . . 148 LEU H . 50270 1 113 . 1 . 1 22 22 LEU HA H 1 4.339 0 . 1 . . . . . 148 LEU HA . 50270 1 114 . 1 . 1 22 22 LEU C C 13 179.202 0 . 1 . . . . . 148 LEU C . 50270 1 115 . 1 . 1 22 22 LEU CA C 13 56.923 0 . 1 . . . . . 148 LEU CA . 50270 1 116 . 1 . 1 22 22 LEU CB C 13 43.602 0 . 1 . . . . . 148 LEU CB . 50270 1 117 . 1 . 1 22 22 LEU N N 15 119.479 0 . 1 . . . . . 148 LEU N . 50270 1 118 . 1 . 1 23 23 MET H H 1 8.138 0 . 1 . . . . . 149 MET H . 50270 1 119 . 1 . 1 23 23 MET HA H 1 4.589 0 . 1 . . . . . 149 MET HA . 50270 1 120 . 1 . 1 23 23 MET C C 13 178.427 0 . 1 . . . . . 149 MET C . 50270 1 121 . 1 . 1 23 23 MET CA C 13 57.388 0 . 1 . . . . . 149 MET CA . 50270 1 122 . 1 . 1 23 23 MET CB C 13 36.676 0 . 1 . . . . . 149 MET CB . 50270 1 123 . 1 . 1 23 23 MET N N 15 114.425 0 . 1 . . . . . 149 MET N . 50270 1 124 . 1 . 1 24 24 GLU H H 1 9.006 0 . 1 . . . . . 150 GLU H . 50270 1 125 . 1 . 1 24 24 GLU C C 13 175.939 0 . 1 . . . . . 150 GLU C . 50270 1 126 . 1 . 1 24 24 GLU CA C 13 59.864 0 . 1 . . . . . 150 GLU CA . 50270 1 127 . 1 . 1 24 24 GLU CB C 13 28.759 0 . 1 . . . . . 150 GLU CB . 50270 1 128 . 1 . 1 24 24 GLU N N 15 121.878 0 . 1 . . . . . 150 GLU N . 50270 1 129 . 1 . 1 25 25 ASN H H 1 8.233 0 . 1 . . . . . 151 ASN H . 50270 1 130 . 1 . 1 25 25 ASN HA H 1 4.857 0 . 1 . . . . . 151 ASN HA . 50270 1 131 . 1 . 1 25 25 ASN C C 13 175.384 0 . 1 . . . . . 151 ASN C . 50270 1 132 . 1 . 1 25 25 ASN CA C 13 52.9 0 . 1 . . . . . 151 ASN CA . 50270 1 133 . 1 . 1 25 25 ASN CB C 13 38.504 0 . 1 . . . . . 151 ASN CB . 50270 1 134 . 1 . 1 25 25 ASN N N 15 114.431 0 . 1 . . . . . 151 ASN N . 50270 1 135 . 1 . 1 26 26 SER H H 1 7.508 0 . 1 . . . . . 152 SER H . 50270 1 136 . 1 . 1 26 26 SER HA H 1 4.388 0 . 1 . . . . . 152 SER HA . 50270 1 137 . 1 . 1 26 26 SER C C 13 175.315 0 . 1 . . . . . 152 SER C . 50270 1 138 . 1 . 1 26 26 SER CA C 13 57.543 0 . 1 . . . . . 152 SER CA . 50270 1 139 . 1 . 1 26 26 SER CB C 13 63.852 0 . 1 . . . . . 152 SER CB . 50270 1 140 . 1 . 1 26 26 SER N N 15 114.811 0 . 1 . . . . . 152 SER N . 50270 1 141 . 1 . 1 27 27 ASP H H 1 8.601 0 . 1 . . . . . 153 ASP H . 50270 1 142 . 1 . 1 27 27 ASP HA H 1 4.463 0 . 1 . . . . . 153 ASP HA . 50270 1 143 . 1 . 1 27 27 ASP C C 13 176.47 0 . 1 . . . . . 153 ASP C . 50270 1 144 . 1 . 1 27 27 ASP CA C 13 53.414 0 . 1 . . . . . 153 ASP CA . 50270 1 145 . 1 . 1 27 27 ASP CB C 13 40.903 0 . 1 . . . . . 153 ASP CB . 50270 1 146 . 1 . 1 27 27 ASP N N 15 125.188 0 . 1 . . . . . 153 ASP N . 50270 1 147 . 1 . 1 28 28 ARG H H 1 8.418 0 . 1 . . . . . 154 ARG H . 50270 1 148 . 1 . 1 28 28 ARG C C 13 177.955 0 . 1 . . . . . 154 ARG C . 50270 1 149 . 1 . 1 28 28 ARG CA C 13 56.512 0 . 1 . . . . . 154 ARG CA . 50270 1 150 . 1 . 1 28 28 ARG CB C 13 29.903 0 . 1 . . . . . 154 ARG CB . 50270 1 151 . 1 . 1 28 28 ARG N N 15 120.811 0 . 1 . . . . . 154 ARG N . 50270 1 152 . 1 . 1 29 29 CYS C C 13 176.309 0 . 1 . . . . . 155 CYS C . 50270 1 153 . 1 . 1 29 29 CYS CA C 13 63.669 0 . 1 . . . . . 155 CYS CA . 50270 1 154 . 1 . 1 29 29 CYS CB C 13 27.373 0 . 1 . . . . . 155 CYS CB . 50270 1 155 . 1 . 1 30 30 GLN H H 1 9.787 0 . 1 . . . . . 156 GLN H . 50270 1 156 . 1 . 1 30 30 GLN HA H 1 3.714 0 . 1 . . . . . 156 GLN HA . 50270 1 157 . 1 . 1 30 30 GLN C C 13 176.813 0 . 1 . . . . . 156 GLN C . 50270 1 158 . 1 . 1 30 30 GLN CA C 13 60.254 0 . 1 . . . . . 156 GLN CA . 50270 1 159 . 1 . 1 30 30 GLN CB C 13 28.962 0 . 1 . . . . . 156 GLN CB . 50270 1 160 . 1 . 1 30 30 GLN N N 15 116.466 0 . 1 . . . . . 156 GLN N . 50270 1 161 . 1 . 1 31 31 ASP H H 1 6.724 0 . 1 . . . . . 157 ASP H . 50270 1 162 . 1 . 1 31 31 ASP HA H 1 4.314 0 . 1 . . . . . 157 ASP HA . 50270 1 163 . 1 . 1 31 31 ASP C C 13 177.116 0 . 1 . . . . . 157 ASP C . 50270 1 164 . 1 . 1 31 31 ASP CA C 13 57.44 0 . 1 . . . . . 157 ASP CA . 50270 1 165 . 1 . 1 31 31 ASP CB C 13 40.234 0 . 1 . . . . . 157 ASP CB . 50270 1 166 . 1 . 1 31 31 ASP N N 15 118.833 0 . 1 . . . . . 157 ASP N . 50270 1 167 . 1 . 1 32 32 ILE H H 1 7.949 0 . 1 . . . . . 158 ILE H . 50270 1 168 . 1 . 1 32 32 ILE HA H 1 3.972 0 . 1 . . . . . 158 ILE HA . 50270 1 169 . 1 . 1 32 32 ILE C C 13 180.141 0 . 1 . . . . . 158 ILE C . 50270 1 170 . 1 . 1 32 32 ILE CA C 13 65.135 0 . 1 . . . . . 158 ILE CA . 50270 1 171 . 1 . 1 32 32 ILE CB C 13 38.092 0 . 1 . . . . . 158 ILE CB . 50270 1 172 . 1 . 1 32 32 ILE N N 15 121.274 0 . 1 . . . . . 158 ILE N . 50270 1 173 . 1 . 1 33 33 ARG H H 1 8.596 0 . 1 . . . . . 159 ARG H . 50270 1 174 . 1 . 1 33 33 ARG HA H 1 2.969 0 . 1 . . . . . 159 ARG HA . 50270 1 175 . 1 . 1 33 33 ARG C C 13 177.788 0 . 1 . . . . . 159 ARG C . 50270 1 176 . 1 . 1 33 33 ARG CA C 13 59.364 0 . 1 . . . . . 159 ARG CA . 50270 1 177 . 1 . 1 33 33 ARG CB C 13 29.89 0 . 1 . . . . . 159 ARG CB . 50270 1 178 . 1 . 1 33 33 ARG N N 15 120.335 0 . 1 . . . . . 159 ARG N . 50270 1 179 . 1 . 1 34 34 ASN H H 1 8.278 0 . 1 . . . . . 160 ASN H . 50270 1 180 . 1 . 1 34 34 ASN C C 13 177.284 0 . 1 . . . . . 160 ASN C . 50270 1 181 . 1 . 1 34 34 ASN CA C 13 55.672 0 . 1 . . . . . 160 ASN CA . 50270 1 182 . 1 . 1 34 34 ASN CB C 13 37.57 0 . 1 . . . . . 160 ASN CB . 50270 1 183 . 1 . 1 34 34 ASN N N 15 119.641 0 . 1 . . . . . 160 ASN N . 50270 1 184 . 1 . 1 35 35 LEU H H 1 8.423 0 . 1 . . . . . 161 LEU H . 50270 1 185 . 1 . 1 35 35 LEU HA H 1 4.16 0 . 1 . . . . . 161 LEU HA . 50270 1 186 . 1 . 1 35 35 LEU C C 13 178.158 0 . 1 . . . . . 161 LEU C . 50270 1 187 . 1 . 1 35 35 LEU CA C 13 58.029 0 . 1 . . . . . 161 LEU CA . 50270 1 188 . 1 . 1 35 35 LEU CB C 13 41.598 0 . 1 . . . . . 161 LEU CB . 50270 1 189 . 1 . 1 35 35 LEU N N 15 120.714 0 . 1 . . . . . 161 LEU N . 50270 1 190 . 1 . 1 36 36 ALA H H 1 7.438 0 . 1 . . . . . 162 ALA H . 50270 1 191 . 1 . 1 36 36 ALA HA H 1 4.01 0 . 1 . . . . . 162 ALA HA . 50270 1 192 . 1 . 1 36 36 ALA C C 13 178.831 0 . 1 . . . . . 162 ALA C . 50270 1 193 . 1 . 1 36 36 ALA CA C 13 55.709 0 . 1 . . . . . 162 ALA CA . 50270 1 194 . 1 . 1 36 36 ALA CB C 13 17.979 0 . 1 . . . . . 162 ALA CB . 50270 1 195 . 1 . 1 36 36 ALA N N 15 120.018 0 . 1 . . . . . 162 ALA N . 50270 1 196 . 1 . 1 37 37 PHE H H 1 8.469 0 . 1 . . . . . 163 PHE H . 50270 1 197 . 1 . 1 37 37 PHE C C 13 178.663 0 . 1 . . . . . 163 PHE C . 50270 1 198 . 1 . 1 37 37 PHE CA C 13 61.642 0 . 1 . . . . . 163 PHE CA . 50270 1 199 . 1 . 1 37 37 PHE CB C 13 37.947 0 . 1 . . . . . 163 PHE CB . 50270 1 200 . 1 . 1 37 37 PHE N N 15 117.773 0 . 1 . . . . . 163 PHE N . 50270 1 201 . 1 . 1 38 38 LEU H H 1 8.183 0 . 1 . . . . . 164 LEU H . 50270 1 202 . 1 . 1 38 38 LEU HA H 1 3.036 0 . 1 . . . . . 164 LEU HA . 50270 1 203 . 1 . 1 38 38 LEU C C 13 178.639 0 . 1 . . . . . 164 LEU C . 50270 1 204 . 1 . 1 38 38 LEU CA C 13 57.535 0 . 1 . . . . . 164 LEU CA . 50270 1 205 . 1 . 1 38 38 LEU CB C 13 41.866 0 . 1 . . . . . 164 LEU CB . 50270 1 206 . 1 . 1 38 38 LEU N N 15 120.384 0 . 1 . . . . . 164 LEU N . 50270 1 207 . 1 . 1 39 39 GLY H H 1 8.461 0 . 1 . . . . . 165 GLY H . 50270 1 208 . 1 . 1 39 39 GLY C C 13 175.468 0 . 1 . . . . . 165 GLY C . 50270 1 209 . 1 . 1 39 39 GLY CA C 13 48.295 0 . 1 . . . . . 165 GLY CA . 50270 1 210 . 1 . 1 39 39 GLY N N 15 104.129 0 . 1 . . . . . 165 GLY N . 50270 1 211 . 1 . 1 40 40 ILE H H 1 8.349 0 . 1 . . . . . 166 ILE H . 50270 1 212 . 1 . 1 40 40 ILE HA H 1 3.496 0 . 1 . . . . . 166 ILE HA . 50270 1 213 . 1 . 1 40 40 ILE C C 13 175.172 0 . 1 . . . . . 166 ILE C . 50270 1 214 . 1 . 1 40 40 ILE CA C 13 66.803 0 . 1 . . . . . 166 ILE CA . 50270 1 215 . 1 . 1 40 40 ILE CB C 13 38.332 0 . 1 . . . . . 166 ILE CB . 50270 1 216 . 1 . 1 40 40 ILE N N 15 122.041 0 . 1 . . . . . 166 ILE N . 50270 1 217 . 1 . 1 41 41 ALA H H 1 8.999 0 . 1 . . . . . 167 ALA H . 50270 1 218 . 1 . 1 41 41 ALA HA H 1 3.526 0 . 1 . . . . . 167 ALA HA . 50270 1 219 . 1 . 1 41 41 ALA C C 13 179.733 0 . 1 . . . . . 167 ALA C . 50270 1 220 . 1 . 1 41 41 ALA CA C 13 56.571 0 . 1 . . . . . 167 ALA CA . 50270 1 221 . 1 . 1 41 41 ALA CB C 13 16.858 0 . 1 . . . . . 167 ALA CB . 50270 1 222 . 1 . 1 41 41 ALA N N 15 127.416 0 . 1 . . . . . 167 ALA N . 50270 1 223 . 1 . 1 42 42 TYR H H 1 8.145 0 . 1 . . . . . 168 TYR H . 50270 1 224 . 1 . 1 42 42 TYR HA H 1 4.022 0 . 1 . . . . . 168 TYR HA . 50270 1 225 . 1 . 1 42 42 TYR C C 13 174.863 0 . 1 . . . . . 168 TYR C . 50270 1 226 . 1 . 1 42 42 TYR CA C 13 61.669 0 . 1 . . . . . 168 TYR CA . 50270 1 227 . 1 . 1 42 42 TYR CB C 13 39.591 0 . 1 . . . . . 168 TYR CB . 50270 1 228 . 1 . 1 42 42 TYR N N 15 117.409 0 . 1 . . . . . 168 TYR N . 50270 1 229 . 1 . 1 43 43 ASN H H 1 8.423 0 . 1 . . . . . 169 ASN H . 50270 1 230 . 1 . 1 43 43 ASN HA H 1 4.31 0 . 1 . . . . . 169 ASN HA . 50270 1 231 . 1 . 1 43 43 ASN C C 13 177.821 0 . 1 . . . . . 169 ASN C . 50270 1 232 . 1 . 1 43 43 ASN CA C 13 55.144 0 . 1 . . . . . 169 ASN CA . 50270 1 233 . 1 . 1 43 43 ASN CB C 13 41.295 0 . 1 . . . . . 169 ASN CB . 50270 1 234 . 1 . 1 43 43 ASN N N 15 113.761 0 . 1 . . . . . 169 ASN N . 50270 1 235 . 1 . 1 44 44 THR H H 1 8.006 0 . 1 . . . . . 170 THR H . 50270 1 236 . 1 . 1 44 44 THR HA H 1 4.4 0 . 1 . . . . . 170 THR HA . 50270 1 237 . 1 . 1 44 44 THR C C 13 175.031 0 . 1 . . . . . 170 THR C . 50270 1 238 . 1 . 1 44 44 THR CA C 13 63.083 0 . 1 . . . . . 170 THR CA . 50270 1 239 . 1 . 1 44 44 THR CB C 13 71.777 0 . 1 . . . . . 170 THR CB . 50270 1 240 . 1 . 1 44 44 THR N N 15 102.548 0 . 1 . . . . . 170 THR N . 50270 1 241 . 1 . 1 45 45 LEU H H 1 7.138 0 . 1 . . . . . 171 LEU H . 50270 1 242 . 1 . 1 45 45 LEU C C 13 174.997 0 . 1 . . . . . 171 LEU C . 50270 1 243 . 1 . 1 45 45 LEU CA C 13 60.048 0 . 1 . . . . . 171 LEU CA . 50270 1 244 . 1 . 1 45 45 LEU CB C 13 37.935 0 . 1 . . . . . 171 LEU CB . 50270 1 245 . 1 . 1 45 45 LEU N N 15 113.626 0 . 1 . . . . . 171 LEU N . 50270 1 246 . 1 . 1 46 46 LEU H H 1 7.502 0 . 1 . . . . . 172 LEU H . 50270 1 247 . 1 . 1 46 46 LEU HA H 1 4.086 0 . 1 . . . . . 172 LEU HA . 50270 1 248 . 1 . 1 46 46 LEU C C 13 177.217 0 . 1 . . . . . 172 LEU C . 50270 1 249 . 1 . 1 46 46 LEU CA C 13 55.117 0 . 1 . . . . . 172 LEU CA . 50270 1 250 . 1 . 1 46 46 LEU CB C 13 43.277 0 . 1 . . . . . 172 LEU CB . 50270 1 251 . 1 . 1 46 46 LEU N N 15 118.688 0 . 1 . . . . . 172 LEU N . 50270 1 252 . 1 . 1 47 47 ARG H H 1 8.826 0 . 1 . . . . . 173 ARG H . 50270 1 253 . 1 . 1 47 47 ARG HA H 1 4.39 0 . 1 . . . . . 173 ARG HA . 50270 1 254 . 1 . 1 47 47 ARG C C 13 179.907 0 . 1 . . . . . 173 ARG C . 50270 1 255 . 1 . 1 47 47 ARG CA C 13 55.859 0 . 1 . . . . . 173 ARG CA . 50270 1 256 . 1 . 1 47 47 ARG CB C 13 30.607 0 . 1 . . . . . 173 ARG CB . 50270 1 257 . 1 . 1 47 47 ARG N N 15 118.722 0 . 1 . . . . . 173 ARG N . 50270 1 258 . 1 . 1 48 48 ILE H H 1 9.173 0 . 1 . . . . . 174 ILE H . 50270 1 259 . 1 . 1 48 48 ILE HA H 1 3.76 0 . 1 . . . . . 174 ILE HA . 50270 1 260 . 1 . 1 48 48 ILE C C 13 177.755 0 . 1 . . . . . 174 ILE C . 50270 1 261 . 1 . 1 48 48 ILE CA C 13 66.48 0 . 1 . . . . . 174 ILE CA . 50270 1 262 . 1 . 1 48 48 ILE CB C 13 36.614 0 . 1 . . . . . 174 ILE CB . 50270 1 263 . 1 . 1 48 48 ILE N N 15 120.275 0 . 1 . . . . . 174 ILE N . 50270 1 264 . 1 . 1 49 49 ALA H H 1 8.799 0 . 1 . . . . . 175 ALA H . 50270 1 265 . 1 . 1 49 49 ALA HA H 1 3.981 0 . 1 . . . . . 175 ALA HA . 50270 1 266 . 1 . 1 49 49 ALA C C 13 180.322 0 . 1 . . . . . 175 ALA C . 50270 1 267 . 1 . 1 49 49 ALA CA C 13 55.032 0 . 1 . . . . . 175 ALA CA . 50270 1 268 . 1 . 1 49 49 ALA CB C 13 18.746 0 . 1 . . . . . 175 ALA CB . 50270 1 269 . 1 . 1 49 49 ALA N N 15 120.578 0 . 1 . . . . . 175 ALA N . 50270 1 270 . 1 . 1 50 50 GLU H H 1 7.094 0 . 1 . . . . . 176 GLU H . 50270 1 271 . 1 . 1 50 50 GLU HA H 1 4.012 0 . 1 . . . . . 176 GLU HA . 50270 1 272 . 1 . 1 50 50 GLU C C 13 179.268 0 . 1 . . . . . 176 GLU C . 50270 1 273 . 1 . 1 50 50 GLU CA C 13 58.597 0 . 1 . . . . . 176 GLU CA . 50270 1 274 . 1 . 1 50 50 GLU CB C 13 30.331 0 . 1 . . . . . 176 GLU CB . 50270 1 275 . 1 . 1 50 50 GLU N N 15 113.724 0 . 1 . . . . . 176 GLU N . 50270 1 276 . 1 . 1 51 51 ILE H H 1 7.804 0 . 1 . . . . . 177 ILE H . 50270 1 277 . 1 . 1 51 51 ILE C C 13 178.629 0 . 1 . . . . . 177 ILE C . 50270 1 278 . 1 . 1 51 51 ILE CA C 13 64.051 0 . 1 . . . . . 177 ILE CA . 50270 1 279 . 1 . 1 51 51 ILE CB C 13 37.896 0 . 1 . . . . . 177 ILE CB . 50270 1 280 . 1 . 1 51 51 ILE N N 15 120.162 0 . 1 . . . . . 177 ILE N . 50270 1 281 . 1 . 1 52 52 ALA H H 1 8.165 0 . 1 . . . . . 178 ALA H . 50270 1 282 . 1 . 1 52 52 ALA HA H 1 3.961 0 . 1 . . . . . 178 ALA HA . 50270 1 283 . 1 . 1 52 52 ALA C C 13 177.049 0 . 1 . . . . . 178 ALA C . 50270 1 284 . 1 . 1 52 52 ALA CA C 13 54.838 0 . 1 . . . . . 178 ALA CA . 50270 1 285 . 1 . 1 52 52 ALA CB C 13 19.198 0 . 1 . . . . . 178 ALA CB . 50270 1 286 . 1 . 1 52 52 ALA N N 15 120.518 0 . 1 . . . . . 178 ALA N . 50270 1 287 . 1 . 1 53 53 ARG H H 1 6.781 0 . 1 . . . . . 179 ARG H . 50270 1 288 . 1 . 1 53 53 ARG HA H 1 4.521 0 . 1 . . . . . 179 ARG HA . 50270 1 289 . 1 . 1 53 53 ARG C C 13 176.275 0 . 1 . . . . . 179 ARG C . 50270 1 290 . 1 . 1 53 53 ARG CA C 13 55.89 0 . 1 . . . . . 179 ARG CA . 50270 1 291 . 1 . 1 53 53 ARG CB C 13 31.463 0 . 1 . . . . . 179 ARG CB . 50270 1 292 . 1 . 1 53 53 ARG N N 15 109.827 0 . 1 . . . . . 179 ARG N . 50270 1 293 . 1 . 1 54 54 ILE H H 1 7.372 0 . 1 . . . . . 180 ILE H . 50270 1 294 . 1 . 1 54 54 ILE HA H 1 4.016 0 . 1 . . . . . 180 ILE HA . 50270 1 295 . 1 . 1 54 54 ILE C C 13 177.265 0 . 1 . . . . . 180 ILE C . 50270 1 296 . 1 . 1 54 54 ILE CA C 13 63.931 0 . 1 . . . . . 180 ILE CA . 50270 1 297 . 1 . 1 54 54 ILE CB C 13 39.199 0 . 1 . . . . . 180 ILE CB . 50270 1 298 . 1 . 1 54 54 ILE N N 15 120.022 0 . 1 . . . . . 180 ILE N . 50270 1 299 . 1 . 1 55 55 ARG H H 1 9.546 0 . 1 . . . . . 181 ARG H . 50270 1 300 . 1 . 1 55 55 ARG C C 13 177 0 . 1 . . . . . 181 ARG C . 50270 1 301 . 1 . 1 55 55 ARG CA C 13 54.707 0 . 1 . . . . . 181 ARG CA . 50270 1 302 . 1 . 1 55 55 ARG CB C 13 32.871 0 . 1 . . . . . 181 ARG CB . 50270 1 303 . 1 . 1 55 55 ARG N N 15 130.329 0 . 1 . . . . . 181 ARG N . 50270 1 304 . 1 . 1 56 56 VAL H H 1 8.829 0 . 1 . . . . . 182 VAL H . 50270 1 305 . 1 . 1 56 56 VAL HA H 1 3.371 0 . 1 . . . . . 182 VAL HA . 50270 1 306 . 1 . 1 56 56 VAL C C 13 179.291 0 . 1 . . . . . 182 VAL C . 50270 1 307 . 1 . 1 56 56 VAL CA C 13 68.042 0 . 1 . . . . . 182 VAL CA . 50270 1 308 . 1 . 1 56 56 VAL CB C 13 31.07 0 . 1 . . . . . 182 VAL CB . 50270 1 309 . 1 . 1 56 56 VAL N N 15 123.415 0 . 1 . . . . . 182 VAL N . 50270 1 310 . 1 . 1 57 57 LYS H H 1 8.595 0 . 1 . . . . . 183 LYS H . 50270 1 311 . 1 . 1 57 57 LYS HA H 1 4.345 0 . 1 . . . . . 183 LYS HA . 50270 1 312 . 1 . 1 57 57 LYS C C 13 176.04 0 . 1 . . . . . 183 LYS C . 50270 1 313 . 1 . 1 57 57 LYS CA C 13 57.036 0 . 1 . . . . . 183 LYS CA . 50270 1 314 . 1 . 1 57 57 LYS CB C 13 30.747 0 . 1 . . . . . 183 LYS CB . 50270 1 315 . 1 . 1 57 57 LYS N N 15 114.959 0 . 1 . . . . . 183 LYS N . 50270 1 316 . 1 . 1 58 58 ASP H H 1 8.016 0 . 1 . . . . . 184 ASP H . 50270 1 317 . 1 . 1 58 58 ASP HA H 1 4.274 0 . 1 . . . . . 184 ASP HA . 50270 1 318 . 1 . 1 58 58 ASP C C 13 175.172 0 . 1 . . . . . 184 ASP C . 50270 1 319 . 1 . 1 58 58 ASP CA C 13 55.592 0 . 1 . . . . . 184 ASP CA . 50270 1 320 . 1 . 1 58 58 ASP CB C 13 41.378 0 . 1 . . . . . 184 ASP CB . 50270 1 321 . 1 . 1 58 58 ASP N N 15 121.349 0 . 1 . . . . . 184 ASP N . 50270 1 322 . 1 . 1 59 59 ILE H H 1 7.824 0 . 1 . . . . . 185 ILE H . 50270 1 323 . 1 . 1 59 59 ILE HA H 1 4.879 0 . 1 . . . . . 185 ILE HA . 50270 1 324 . 1 . 1 59 59 ILE C C 13 175.905 0 . 1 . . . . . 185 ILE C . 50270 1 325 . 1 . 1 59 59 ILE CA C 13 60.924 0 . 1 . . . . . 185 ILE CA . 50270 1 326 . 1 . 1 59 59 ILE CB C 13 38.917 0 . 1 . . . . . 185 ILE CB . 50270 1 327 . 1 . 1 59 59 ILE N N 15 121.283 0 . 1 . . . . . 185 ILE N . 50270 1 328 . 1 . 1 60 60 SER H H 1 9.338 0 . 1 . . . . . 186 SER H . 50270 1 329 . 1 . 1 60 60 SER C C 13 173.061 0 . 1 . . . . . 186 SER C . 50270 1 330 . 1 . 1 60 60 SER CA C 13 57.14 0 . 1 . . . . . 186 SER CA . 50270 1 331 . 1 . 1 60 60 SER CB C 13 65.31 0 . 1 . . . . . 186 SER CB . 50270 1 332 . 1 . 1 60 60 SER N N 15 123.634 0 . 1 . . . . . 186 SER N . 50270 1 333 . 1 . 1 61 61 ARG H H 1 8.526 0 . 1 . . . . . 187 ARG H . 50270 1 334 . 1 . 1 61 61 ARG HA H 1 5.231 0 . 1 . . . . . 187 ARG HA . 50270 1 335 . 1 . 1 61 61 ARG C C 13 176.727 0 . 1 . . . . . 187 ARG C . 50270 1 336 . 1 . 1 61 61 ARG CA C 13 54.475 0 . 1 . . . . . 187 ARG CA . 50270 1 337 . 1 . 1 61 61 ARG CB C 13 32.553 0 . 1 . . . . . 187 ARG CB . 50270 1 338 . 1 . 1 61 61 ARG N N 15 119.075 0 . 1 . . . . . 187 ARG N . 50270 1 339 . 1 . 1 62 62 THR H H 1 8.798 0 . 1 . . . . . 188 THR H . 50270 1 340 . 1 . 1 62 62 THR CA C 13 58.901 0 . 1 . . . . . 188 THR CA . 50270 1 341 . 1 . 1 62 62 THR CB C 13 70.724 0 . 1 . . . . . 188 THR CB . 50270 1 342 . 1 . 1 62 62 THR N N 15 116.012 0 . 1 . . . . . 188 THR N . 50270 1 343 . 1 . 1 63 63 ASP C C 13 176.309 0 . 1 . . . . . 189 ASP C . 50270 1 344 . 1 . 1 63 63 ASP CA C 13 55.794 0 . 1 . . . . . 189 ASP CA . 50270 1 345 . 1 . 1 64 64 GLY C C 13 175.041 0 . 1 . . . . . 190 GLY C . 50270 1 346 . 1 . 1 64 64 GLY CA C 13 45.566 0 . 1 . . . . . 190 GLY CA . 50270 1 347 . 1 . 1 65 65 GLY H H 1 8.16 0 . 1 . . . . . 191 GLY H . 50270 1 348 . 1 . 1 65 65 GLY HA2 H 1 4.124 0 . 1 . . . . . 191 GLY HA2 . 50270 1 349 . 1 . 1 65 65 GLY HA3 H 1 3.733 0 . 1 . . . . . 191 GLY HA3 . 50270 1 350 . 1 . 1 65 65 GLY C C 13 174.358 0 . 1 . . . . . 191 GLY C . 50270 1 351 . 1 . 1 65 65 GLY CA C 13 45.474 0 . 1 . . . . . 191 GLY CA . 50270 1 352 . 1 . 1 65 65 GLY N N 15 107.192 0 . 1 . . . . . 191 GLY N . 50270 1 353 . 1 . 1 66 66 ARG H H 1 7.113 0 . 1 . . . . . 192 ARG H . 50270 1 354 . 1 . 1 66 66 ARG HA H 1 4.205 0 . 1 . . . . . 192 ARG HA . 50270 1 355 . 1 . 1 66 66 ARG C C 13 175.905 0 . 1 . . . . . 192 ARG C . 50270 1 356 . 1 . 1 66 66 ARG CA C 13 56.416 0 . 1 . . . . . 192 ARG CA . 50270 1 357 . 1 . 1 66 66 ARG CB C 13 30.085 0 . 1 . . . . . 192 ARG CB . 50270 1 358 . 1 . 1 66 66 ARG N N 15 118.763 0 . 1 . . . . . 192 ARG N . 50270 1 359 . 1 . 1 67 67 MET H H 1 7.629 0 . 1 . . . . . 193 MET H . 50270 1 360 . 1 . 1 67 67 MET HA H 1 4.807 0 . 1 . . . . . 193 MET HA . 50270 1 361 . 1 . 1 67 67 MET C C 13 173.652 0 . 1 . . . . . 193 MET C . 50270 1 362 . 1 . 1 67 67 MET CA C 13 56.379 0 . 1 . . . . . 193 MET CA . 50270 1 363 . 1 . 1 67 67 MET CB C 13 35.206 0 . 1 . . . . . 193 MET CB . 50270 1 364 . 1 . 1 67 67 MET N N 15 121.662 0 . 1 . . . . . 193 MET N . 50270 1 365 . 1 . 1 68 68 LEU H H 1 8.746 0 . 1 . . . . . 194 LEU H . 50270 1 366 . 1 . 1 68 68 LEU C C 13 178.377 0 . 1 . . . . . 194 LEU C . 50270 1 367 . 1 . 1 68 68 LEU CA C 13 53.264 0 . 1 . . . . . 194 LEU CA . 50270 1 368 . 1 . 1 68 68 LEU CB C 13 45.084 0 . 1 . . . . . 194 LEU CB . 50270 1 369 . 1 . 1 68 68 LEU N N 15 123.424 0 . 1 . . . . . 194 LEU N . 50270 1 370 . 1 . 1 69 69 ILE H H 1 9.014 0 . 1 . . . . . 195 ILE H . 50270 1 371 . 1 . 1 69 69 ILE HA H 1 4.618 0 . 1 . . . . . 195 ILE HA . 50270 1 372 . 1 . 1 69 69 ILE C C 13 176.039 0 . 1 . . . . . 195 ILE C . 50270 1 373 . 1 . 1 69 69 ILE CA C 13 59.899 0 . 1 . . . . . 195 ILE CA . 50270 1 374 . 1 . 1 69 69 ILE CB C 13 40.202 0 . 1 . . . . . 195 ILE CB . 50270 1 375 . 1 . 1 69 69 ILE N N 15 122.222 0 . 1 . . . . . 195 ILE N . 50270 1 376 . 1 . 1 70 70 HIS H H 1 9 0 . 1 . . . . . 196 HIS H . 50270 1 377 . 1 . 1 70 70 HIS HA H 1 4.863 0 . 1 . . . . . 196 HIS HA . 50270 1 378 . 1 . 1 70 70 HIS C C 13 174.325 0 . 1 . . . . . 196 HIS C . 50270 1 379 . 1 . 1 70 70 HIS CA C 13 56.477 0 . 1 . . . . . 196 HIS CA . 50270 1 380 . 1 . 1 70 70 HIS CB C 13 30.831 0 . 1 . . . . . 196 HIS CB . 50270 1 381 . 1 . 1 70 70 HIS N N 15 127.342 0 . 1 . . . . . 196 HIS N . 50270 1 382 . 1 . 1 71 71 ILE H H 1 8.57 0 . 1 . . . . . 197 ILE H . 50270 1 383 . 1 . 1 71 71 ILE HA H 1 4.215 0 . 1 . . . . . 197 ILE HA . 50270 1 384 . 1 . 1 71 71 ILE C C 13 175.905 0 . 1 . . . . . 197 ILE C . 50270 1 385 . 1 . 1 71 71 ILE CA C 13 59.186 0 . 1 . . . . . 197 ILE CA . 50270 1 386 . 1 . 1 71 71 ILE CB C 13 38.052 0 . 1 . . . . . 197 ILE CB . 50270 1 387 . 1 . 1 71 71 ILE N N 15 125.72 0 . 1 . . . . . 197 ILE N . 50270 1 388 . 1 . 1 72 72 GLY H H 1 8.482 0 . 1 . . . . . 198 GLY H . 50270 1 389 . 1 . 1 72 72 GLY C C 13 173.989 0 . 1 . . . . . 198 GLY C . 50270 1 390 . 1 . 1 72 72 GLY CA C 13 45.575 0 . 1 . . . . . 198 GLY CA . 50270 1 391 . 1 . 1 72 72 GLY N N 15 113.303 0 . 1 . . . . . 198 GLY N . 50270 1 392 . 1 . 1 73 73 ARG H H 1 8.289 0 . 1 . . . . . 199 ARG H . 50270 1 393 . 1 . 1 73 73 ARG C C 13 176.308 0 . 1 . . . . . 199 ARG C . 50270 1 394 . 1 . 1 73 73 ARG CA C 13 56.082 0 . 1 . . . . . 199 ARG CA . 50270 1 395 . 1 . 1 73 73 ARG CB C 13 30.996 0 . 1 . . . . . 199 ARG CB . 50270 1 396 . 1 . 1 73 73 ARG N N 15 121.088 0 . 1 . . . . . 199 ARG N . 50270 1 397 . 1 . 1 76 76 THR HA H 1 4.297 0 . 1 . . . . . 202 THR HA . 50270 1 398 . 1 . 1 76 76 THR CA C 13 61.608 0 . 1 . . . . . 202 THR CA . 50270 1 399 . 1 . 1 76 76 THR CB C 13 69.866 0 . 1 . . . . . 202 THR CB . 50270 1 400 . 1 . 1 77 77 LEU H H 1 8.161 0 . 1 . . . . . 203 LEU H . 50270 1 401 . 1 . 1 77 77 LEU HA H 1 4.331 0 . 1 . . . . . 203 LEU HA . 50270 1 402 . 1 . 1 77 77 LEU C C 13 177.486 0 . 1 . . . . . 203 LEU C . 50270 1 403 . 1 . 1 77 77 LEU CA C 13 56.012 0 . 1 . . . . . 203 LEU CA . 50270 1 404 . 1 . 1 77 77 LEU CB C 13 42.231 0 . 1 . . . . . 203 LEU CB . 50270 1 405 . 1 . 1 77 77 LEU N N 15 122.286 0 . 1 . . . . . 203 LEU N . 50270 1 406 . 1 . 1 78 78 VAL H H 1 7.896 0 . 1 . . . . . 204 VAL H . 50270 1 407 . 1 . 1 78 78 VAL HA H 1 4.197 0 . 1 . . . . . 204 VAL HA . 50270 1 408 . 1 . 1 78 78 VAL C C 13 176.14 0 . 1 . . . . . 204 VAL C . 50270 1 409 . 1 . 1 78 78 VAL CA C 13 62.152 0 . 1 . . . . . 204 VAL CA . 50270 1 410 . 1 . 1 78 78 VAL CB C 13 32.769 0 . 1 . . . . . 204 VAL CB . 50270 1 411 . 1 . 1 78 78 VAL N N 15 117.278 0 . 1 . . . . . 204 VAL N . 50270 1 412 . 1 . 1 79 79 SER C C 13 178.125 0 . 1 . . . . . 205 SER C . 50270 1 413 . 1 . 1 79 79 SER CA C 13 58.946 0 . 1 . . . . . 205 SER CA . 50270 1 414 . 1 . 1 80 80 THR H H 1 7.974 0 . 1 . . . . . 206 THR H . 50270 1 415 . 1 . 1 80 80 THR HA H 1 4.38 0 . 1 . . . . . 206 THR HA . 50270 1 416 . 1 . 1 80 80 THR C C 13 174.258 0 . 1 . . . . . 206 THR C . 50270 1 417 . 1 . 1 80 80 THR CA C 13 61.659 0 . 1 . . . . . 206 THR CA . 50270 1 418 . 1 . 1 80 80 THR CB C 13 69.433 0 . 1 . . . . . 206 THR CB . 50270 1 419 . 1 . 1 80 80 THR N N 15 109.139 0 . 1 . . . . . 206 THR N . 50270 1 420 . 1 . 1 81 81 ALA H H 1 8.274 0 . 1 . . . . . 207 ALA H . 50270 1 421 . 1 . 1 81 81 ALA HA H 1 4.399 0 . 1 . . . . . 207 ALA HA . 50270 1 422 . 1 . 1 81 81 ALA C C 13 177.99 0 . 1 . . . . . 207 ALA C . 50270 1 423 . 1 . 1 81 81 ALA CA C 13 52.567 0 . 1 . . . . . 207 ALA CA . 50270 1 424 . 1 . 1 81 81 ALA CB C 13 19.71 0 . 1 . . . . . 207 ALA CB . 50270 1 425 . 1 . 1 81 81 ALA N N 15 125.373 0 . 1 . . . . . 207 ALA N . 50270 1 426 . 1 . 1 82 82 GLY H H 1 8.274 0 . 1 . . . . . 208 GLY H . 50270 1 427 . 1 . 1 82 82 GLY C C 13 173.538 0 . 1 . . . . . 208 GLY C . 50270 1 428 . 1 . 1 82 82 GLY CA C 13 45.103 0 . 1 . . . . . 208 GLY CA . 50270 1 429 . 1 . 1 82 82 GLY N N 15 107.989 0 . 1 . . . . . 208 GLY N . 50270 1 430 . 1 . 1 83 83 VAL H H 1 8.264 0 . 1 . . . . . 209 VAL H . 50270 1 431 . 1 . 1 83 83 VAL HA H 1 4.304 0 . 1 . . . . . 209 VAL HA . 50270 1 432 . 1 . 1 83 83 VAL C C 13 174.392 0 . 1 . . . . . 209 VAL C . 50270 1 433 . 1 . 1 83 83 VAL CA C 13 61.427 0 . 1 . . . . . 209 VAL CA . 50270 1 434 . 1 . 1 83 83 VAL CB C 13 34.329 0 . 1 . . . . . 209 VAL CB . 50270 1 435 . 1 . 1 83 83 VAL N N 15 118.362 0 . 1 . . . . . 209 VAL N . 50270 1 436 . 1 . 1 84 84 GLU H H 1 8.28 0 . 1 . . . . . 210 GLU H . 50270 1 437 . 1 . 1 84 84 GLU HA H 1 5.035 0 . 1 . . . . . 210 GLU HA . 50270 1 438 . 1 . 1 84 84 GLU CA C 13 54.571 0 . 1 . . . . . 210 GLU CA . 50270 1 439 . 1 . 1 84 84 GLU CB C 13 31.809 0 . 1 . . . . . 210 GLU CB . 50270 1 440 . 1 . 1 84 84 GLU N N 15 123.27 0 . 1 . . . . . 210 GLU N . 50270 1 441 . 1 . 1 85 85 LYS H H 1 8.907 0 . 1 . . . . . 211 LYS H . 50270 1 442 . 1 . 1 85 85 LYS HA H 1 4.882 0 . 1 . . . . . 211 LYS HA . 50270 1 443 . 1 . 1 85 85 LYS C C 13 174.392 0 . 1 . . . . . 211 LYS C . 50270 1 444 . 1 . 1 85 85 LYS CA C 13 52.904 0 . 1 . . . . . 211 LYS CA . 50270 1 445 . 1 . 1 85 85 LYS CB C 13 33.625 0 . 1 . . . . . 211 LYS CB . 50270 1 446 . 1 . 1 85 85 LYS N N 15 122.872 0 . 1 . . . . . 211 LYS N . 50270 1 447 . 1 . 1 86 86 ALA H H 1 8.574 0 . 1 . . . . . 212 ALA H . 50270 1 448 . 1 . 1 86 86 ALA C C 13 177.385 0 . 1 . . . . . 212 ALA C . 50270 1 449 . 1 . 1 86 86 ALA CA C 13 51.051 0 . 1 . . . . . 212 ALA CA . 50270 1 450 . 1 . 1 86 86 ALA CB C 13 20.018 0 . 1 . . . . . 212 ALA CB . 50270 1 451 . 1 . 1 86 86 ALA N N 15 126.479 0 . 1 . . . . . 212 ALA N . 50270 1 452 . 1 . 1 87 87 LEU H H 1 8.664 0 . 1 . . . . . 213 LEU H . 50270 1 453 . 1 . 1 87 87 LEU HA H 1 4.699 0 . 1 . . . . . 213 LEU HA . 50270 1 454 . 1 . 1 87 87 LEU C C 13 177.688 0 . 1 . . . . . 213 LEU C . 50270 1 455 . 1 . 1 87 87 LEU CA C 13 52.719 0 . 1 . . . . . 213 LEU CA . 50270 1 456 . 1 . 1 87 87 LEU CB C 13 42.913 0 . 1 . . . . . 213 LEU CB . 50270 1 457 . 1 . 1 87 87 LEU N N 15 121.813 0 . 1 . . . . . 213 LEU N . 50270 1 458 . 1 . 1 88 88 SER H H 1 9.006 0 . 1 . . . . . 214 SER H . 50270 1 459 . 1 . 1 88 88 SER CA C 13 57.307 0 . 1 . . . . . 214 SER CA . 50270 1 460 . 1 . 1 88 88 SER CB C 13 65.816 0 . 1 . . . . . 214 SER CB . 50270 1 461 . 1 . 1 88 88 SER N N 15 116.431 0 . 1 . . . . . 214 SER N . 50270 1 462 . 1 . 1 90 90 GLY C C 13 177.116 0 . 1 . . . . . 216 GLY C . 50270 1 463 . 1 . 1 90 90 GLY CA C 13 47.069 0 . 1 . . . . . 216 GLY CA . 50270 1 464 . 1 . 1 91 91 VAL H H 1 7.868 0 . 1 . . . . . 217 VAL H . 50270 1 465 . 1 . 1 91 91 VAL HA H 1 3.827 0 . 1 . . . . . 217 VAL HA . 50270 1 466 . 1 . 1 91 91 VAL CA C 13 66.506 0 . 1 . . . . . 217 VAL CA . 50270 1 467 . 1 . 1 91 91 VAL CB C 13 31.465 0 . 1 . . . . . 217 VAL CB . 50270 1 468 . 1 . 1 91 91 VAL N N 15 122.305 0 . 1 . . . . . 217 VAL N . 50270 1 469 . 1 . 1 92 92 THR H H 1 8.791 0 . 1 . . . . . 218 THR H . 50270 1 470 . 1 . 1 92 92 THR C C 13 175.872 0 . 1 . . . . . 218 THR C . 50270 1 471 . 1 . 1 92 92 THR CA C 13 60.797 0 . 1 . . . . . 218 THR CA . 50270 1 472 . 1 . 1 92 92 THR CB C 13 69.03 0 . 1 . . . . . 218 THR CB . 50270 1 473 . 1 . 1 92 92 THR N N 15 119.731 0 . 1 . . . . . 218 THR N . 50270 1 474 . 1 . 1 93 93 LYS H H 1 7.73 0 . 1 . . . . . 219 LYS H . 50270 1 475 . 1 . 1 93 93 LYS HA H 1 4.12 0 . 1 . . . . . 219 LYS HA . 50270 1 476 . 1 . 1 93 93 LYS C C 13 179.738 0 . 1 . . . . . 219 LYS C . 50270 1 477 . 1 . 1 93 93 LYS CA C 13 59.856 0 . 1 . . . . . 219 LYS CA . 50270 1 478 . 1 . 1 93 93 LYS CB C 13 32.152 0 . 1 . . . . . 219 LYS CB . 50270 1 479 . 1 . 1 93 93 LYS N N 15 118.959 0 . 1 . . . . . 219 LYS N . 50270 1 480 . 1 . 1 94 94 LEU H H 1 7.431 0 . 1 . . . . . 220 LEU H . 50270 1 481 . 1 . 1 94 94 LEU HA H 1 4.188 0 . 1 . . . . . 220 LEU HA . 50270 1 482 . 1 . 1 94 94 LEU C C 13 181.017 0 . 1 . . . . . 220 LEU C . 50270 1 483 . 1 . 1 94 94 LEU CA C 13 57.941 0 . 1 . . . . . 220 LEU CA . 50270 1 484 . 1 . 1 94 94 LEU CB C 13 41.311 0 . 1 . . . . . 220 LEU CB . 50270 1 485 . 1 . 1 94 94 LEU N N 15 118.466 0 . 1 . . . . . 220 LEU N . 50270 1 486 . 1 . 1 95 95 VAL H H 1 8.526 0 . 1 . . . . . 221 VAL H . 50270 1 487 . 1 . 1 95 95 VAL HA H 1 3.72 0 . 1 . . . . . 221 VAL HA . 50270 1 488 . 1 . 1 95 95 VAL C C 13 178.192 0 . 1 . . . . . 221 VAL C . 50270 1 489 . 1 . 1 95 95 VAL CA C 13 66.563 0 . 1 . . . . . 221 VAL CA . 50270 1 490 . 1 . 1 95 95 VAL CB C 13 31.628 0 . 1 . . . . . 221 VAL CB . 50270 1 491 . 1 . 1 95 95 VAL N N 15 121.959 0 . 1 . . . . . 221 VAL N . 50270 1 492 . 1 . 1 96 96 GLU H H 1 9.253 0 . 1 . . . . . 222 GLU H . 50270 1 493 . 1 . 1 96 96 GLU HA H 1 4.007 0 . 1 . . . . . 222 GLU HA . 50270 1 494 . 1 . 1 96 96 GLU C C 13 179.672 0 . 1 . . . . . 222 GLU C . 50270 1 495 . 1 . 1 96 96 GLU CA C 13 59.674 0 . 1 . . . . . 222 GLU CA . 50270 1 496 . 1 . 1 96 96 GLU CB C 13 29.598 0 . 1 . . . . . 222 GLU CB . 50270 1 497 . 1 . 1 96 96 GLU N N 15 120.677 0 . 1 . . . . . 222 GLU N . 50270 1 498 . 1 . 1 97 97 ARG H H 1 7.862 0 . 1 . . . . . 223 ARG H . 50270 1 499 . 1 . 1 97 97 ARG HA H 1 4.13 0 . 1 . . . . . 223 ARG HA . 50270 1 500 . 1 . 1 97 97 ARG C C 13 178.399 0 . 1 . . . . . 223 ARG C . 50270 1 501 . 1 . 1 97 97 ARG CA C 13 59.772 0 . 1 . . . . . 223 ARG CA . 50270 1 502 . 1 . 1 97 97 ARG CB C 13 30.018 0 . 1 . . . . . 223 ARG CB . 50270 1 503 . 1 . 1 97 97 ARG N N 15 119.771 0 . 1 . . . . . 223 ARG N . 50270 1 504 . 1 . 1 98 98 TRP H H 1 7.457 0 . 1 . . . . . 224 TRP H . 50270 1 505 . 1 . 1 98 98 TRP HA H 1 4.804 0 . 1 . . . . . 224 TRP HA . 50270 1 506 . 1 . 1 98 98 TRP C C 13 178.181 0 . 1 . . . . . 224 TRP C . 50270 1 507 . 1 . 1 98 98 TRP CA C 13 58.891 0 . 1 . . . . . 224 TRP CA . 50270 1 508 . 1 . 1 98 98 TRP CB C 13 29.13 0 . 1 . . . . . 224 TRP CB . 50270 1 509 . 1 . 1 98 98 TRP N N 15 118.687 0 . 1 . . . . . 224 TRP N . 50270 1 510 . 1 . 1 99 99 ILE H H 1 8.951 0 . 1 . . . . . 225 ILE H . 50270 1 511 . 1 . 1 99 99 ILE HA H 1 2.862 0 . 1 . . . . . 225 ILE HA . 50270 1 512 . 1 . 1 99 99 ILE C C 13 177.99 0 . 1 . . . . . 225 ILE C . 50270 1 513 . 1 . 1 99 99 ILE CA C 13 66.518 0 . 1 . . . . . 225 ILE CA . 50270 1 514 . 1 . 1 99 99 ILE CB C 13 38.087 0 . 1 . . . . . 225 ILE CB . 50270 1 515 . 1 . 1 99 99 ILE N N 15 122.569 0 . 1 . . . . . 225 ILE N . 50270 1 516 . 1 . 1 100 100 SER H H 1 8.124 0 . 1 . . . . . 226 SER H . 50270 1 517 . 1 . 1 100 100 SER HA H 1 4.108 0 . 1 . . . . . 226 SER HA . 50270 1 518 . 1 . 1 100 100 SER C C 13 176.914 0 . 1 . . . . . 226 SER C . 50270 1 519 . 1 . 1 100 100 SER CA C 13 61.849 0 . 1 . . . . . 226 SER CA . 50270 1 520 . 1 . 1 100 100 SER CB C 13 63.147 0 . 1 . . . . . 226 SER CB . 50270 1 521 . 1 . 1 100 100 SER N N 15 114.294 0 . 1 . . . . . 226 SER N . 50270 1 522 . 1 . 1 101 101 VAL H H 1 7.831 0 . 1 . . . . . 227 VAL H . 50270 1 523 . 1 . 1 101 101 VAL HA H 1 4.24 0 . 1 . . . . . 227 VAL HA . 50270 1 524 . 1 . 1 101 101 VAL C C 13 177.452 0 . 1 . . . . . 227 VAL C . 50270 1 525 . 1 . 1 101 101 VAL CA C 13 63.4 0 . 1 . . . . . 227 VAL CA . 50270 1 526 . 1 . 1 101 101 VAL CB C 13 32.379 0 . 1 . . . . . 227 VAL CB . 50270 1 527 . 1 . 1 101 101 VAL N N 15 113.802 0 . 1 . . . . . 227 VAL N . 50270 1 528 . 1 . 1 102 102 SER H H 1 7.475 0 . 1 . . . . . 228 SER H . 50270 1 529 . 1 . 1 102 102 SER HA H 1 3.718 0 . 1 . . . . . 228 SER HA . 50270 1 530 . 1 . 1 102 102 SER C C 13 175.468 0 . 1 . . . . . 228 SER C . 50270 1 531 . 1 . 1 102 102 SER CA C 13 59.462 0 . 1 . . . . . 228 SER CA . 50270 1 532 . 1 . 1 102 102 SER CB C 13 64.872 0 . 1 . . . . . 228 SER CB . 50270 1 533 . 1 . 1 102 102 SER N N 15 114.206 0 . 1 . . . . . 228 SER N . 50270 1 534 . 1 . 1 103 103 GLY H H 1 7.067 0 . 1 . . . . . 229 GLY H . 50270 1 535 . 1 . 1 103 103 GLY C C 13 177.183 0 . 1 . . . . . 229 GLY C . 50270 1 536 . 1 . 1 103 103 GLY CA C 13 46.165 0 . 1 . . . . . 229 GLY CA . 50270 1 537 . 1 . 1 103 103 GLY N N 15 108.394 0 . 1 . . . . . 229 GLY N . 50270 1 538 . 1 . 1 104 104 VAL H H 1 7.487 0 . 1 . . . . . 230 VAL H . 50270 1 539 . 1 . 1 104 104 VAL HA H 1 3.723 0 . 1 . . . . . 230 VAL HA . 50270 1 540 . 1 . 1 104 104 VAL C C 13 176.981 0 . 1 . . . . . 230 VAL C . 50270 1 541 . 1 . 1 104 104 VAL CA C 13 64.748 0 . 1 . . . . . 230 VAL CA . 50270 1 542 . 1 . 1 104 104 VAL CB C 13 32.128 0 . 1 . . . . . 230 VAL CB . 50270 1 543 . 1 . 1 104 104 VAL N N 15 112.697 0 . 1 . . . . . 230 VAL N . 50270 1 544 . 1 . 1 105 105 ALA H H 1 8.412 0 . 1 . . . . . 231 ALA H . 50270 1 545 . 1 . 1 105 105 ALA HA H 1 4.14 0 . 1 . . . . . 231 ALA HA . 50270 1 546 . 1 . 1 105 105 ALA C C 13 176.981 0 . 1 . . . . . 231 ALA C . 50270 1 547 . 1 . 1 105 105 ALA CA C 13 52.686 0 . 1 . . . . . 231 ALA CA . 50270 1 548 . 1 . 1 105 105 ALA CB C 13 17.968 0 . 1 . . . . . 231 ALA CB . 50270 1 549 . 1 . 1 105 105 ALA N N 15 118.822 0 . 1 . . . . . 231 ALA N . 50270 1 550 . 1 . 1 106 106 ASP H H 1 7.409 0 . 1 . . . . . 232 ASP H . 50270 1 551 . 1 . 1 106 106 ASP HA H 1 4.197 0 . 1 . . . . . 232 ASP HA . 50270 1 552 . 1 . 1 106 106 ASP C C 13 175.682 0 . 1 . . . . . 232 ASP C . 50270 1 553 . 1 . 1 106 106 ASP CA C 13 56.743 0 . 1 . . . . . 232 ASP CA . 50270 1 554 . 1 . 1 106 106 ASP CB C 13 40.499 0 . 1 . . . . . 232 ASP CB . 50270 1 555 . 1 . 1 106 106 ASP N N 15 118.291 0 . 1 . . . . . 232 ASP N . 50270 1 556 . 1 . 1 107 107 ASP H H 1 6.686 0 . 1 . . . . . 233 ASP H . 50270 1 557 . 1 . 1 107 107 ASP C C 13 174.646 0 . 1 . . . . . 233 ASP C . 50270 1 558 . 1 . 1 107 107 ASP CA C 13 51.106 0 . 1 . . . . . 233 ASP CA . 50270 1 559 . 1 . 1 107 107 ASP CB C 13 43.312 0 . 1 . . . . . 233 ASP CB . 50270 1 560 . 1 . 1 107 107 ASP N N 15 115.842 0 . 1 . . . . . 233 ASP N . 50270 1 561 . 1 . 1 108 108 PRO HA H 1 4.056 0 . 1 . . . . . 234 PRO HA . 50270 1 562 . 1 . 1 108 108 PRO C C 13 175.905 0 . 1 . . . . . 234 PRO C . 50270 1 563 . 1 . 1 108 108 PRO CA C 13 63.943 0 . 1 . . . . . 234 PRO CA . 50270 1 564 . 1 . 1 108 108 PRO CB C 13 32.615 0 . 1 . . . . . 234 PRO CB . 50270 1 565 . 1 . 1 109 109 ASN H H 1 8.528 0 . 1 . . . . . 235 ASN H . 50270 1 566 . 1 . 1 109 109 ASN HA H 1 4.449 0 . 1 . . . . . 235 ASN HA . 50270 1 567 . 1 . 1 109 109 ASN C C 13 175.535 0 . 1 . . . . . 235 ASN C . 50270 1 568 . 1 . 1 109 109 ASN CA C 13 53.419 0 . 1 . . . . . 235 ASN CA . 50270 1 569 . 1 . 1 109 109 ASN CB C 13 39.163 0 . 1 . . . . . 235 ASN CB . 50270 1 570 . 1 . 1 109 109 ASN N N 15 112.265 0 . 1 . . . . . 235 ASN N . 50270 1 571 . 1 . 1 110 110 ASN H H 1 8.241 0 . 1 . . . . . 236 ASN H . 50270 1 572 . 1 . 1 110 110 ASN C C 13 176.738 0 . 1 . . . . . 236 ASN C . 50270 1 573 . 1 . 1 110 110 ASN CA C 13 53.431 0 . 1 . . . . . 236 ASN CA . 50270 1 574 . 1 . 1 110 110 ASN CB C 13 37.422 0 . 1 . . . . . 236 ASN CB . 50270 1 575 . 1 . 1 110 110 ASN N N 15 118.741 0 . 1 . . . . . 236 ASN N . 50270 1 576 . 1 . 1 111 111 TYR H H 1 8.316 0 . 1 . . . . . 237 TYR H . 50270 1 577 . 1 . 1 111 111 TYR HA H 1 4.581 0 . 1 . . . . . 237 TYR HA . 50270 1 578 . 1 . 1 111 111 TYR CA C 13 60.041 0 . 1 . . . . . 237 TYR CA . 50270 1 579 . 1 . 1 111 111 TYR CB C 13 38.156 0 . 1 . . . . . 237 TYR CB . 50270 1 580 . 1 . 1 111 111 TYR N N 15 118.518 0 . 1 . . . . . 237 TYR N . 50270 1 581 . 1 . 1 112 112 LEU H H 1 9.016 0 . 1 . . . . . 238 LEU H . 50270 1 582 . 1 . 1 112 112 LEU HA H 1 3.767 0 . 1 . . . . . 238 LEU HA . 50270 1 583 . 1 . 1 112 112 LEU C C 13 175.468 0 . 1 . . . . . 238 LEU C . 50270 1 584 . 1 . 1 112 112 LEU CA C 13 57.611 0 . 1 . . . . . 238 LEU CA . 50270 1 585 . 1 . 1 112 112 LEU CB C 13 43.522 0 . 1 . . . . . 238 LEU CB . 50270 1 586 . 1 . 1 112 112 LEU N N 15 122.064 0 . 1 . . . . . 238 LEU N . 50270 1 587 . 1 . 1 113 113 PHE H H 1 8.702 0 . 1 . . . . . 239 PHE H . 50270 1 588 . 1 . 1 113 113 PHE HA H 1 4.835 0 . 1 . . . . . 239 PHE HA . 50270 1 589 . 1 . 1 113 113 PHE C C 13 173.989 0 . 1 . . . . . 239 PHE C . 50270 1 590 . 1 . 1 113 113 PHE CA C 13 59.109 0 . 1 . . . . . 239 PHE CA . 50270 1 591 . 1 . 1 113 113 PHE CB C 13 39.935 0 . 1 . . . . . 239 PHE CB . 50270 1 592 . 1 . 1 113 113 PHE N N 15 111.014 0 . 1 . . . . . 239 PHE N . 50270 1 593 . 1 . 1 114 114 CYS H H 1 6.946 0 . 1 . . . . . 240 CYS H . 50270 1 594 . 1 . 1 114 114 CYS C C 13 172.936 0 . 1 . . . . . 240 CYS C . 50270 1 595 . 1 . 1 114 114 CYS CA C 13 54.233 0 . 1 . . . . . 240 CYS CA . 50270 1 596 . 1 . 1 114 114 CYS CB C 13 34.573 0 . 1 . . . . . 240 CYS CB . 50270 1 597 . 1 . 1 114 114 CYS N N 15 115.045 0 . 1 . . . . . 240 CYS N . 50270 1 598 . 1 . 1 115 115 ARG H H 1 8.441 0 . 1 . . . . . 241 ARG H . 50270 1 599 . 1 . 1 115 115 ARG HA H 1 4.13 0 . 1 . . . . . 241 ARG HA . 50270 1 600 . 1 . 1 115 115 ARG C C 13 175.499 0 . 1 . . . . . 241 ARG C . 50270 1 601 . 1 . 1 115 115 ARG CA C 13 56.266 0 . 1 . . . . . 241 ARG CA . 50270 1 602 . 1 . 1 115 115 ARG CB C 13 30.908 0 . 1 . . . . . 241 ARG CB . 50270 1 603 . 1 . 1 115 115 ARG N N 15 119.909 0 . 1 . . . . . 241 ARG N . 50270 1 604 . 1 . 1 116 116 VAL H H 1 8.384 0 . 1 . . . . . 242 VAL H . 50270 1 605 . 1 . 1 116 116 VAL HA H 1 4.189 0 . 1 . . . . . 242 VAL HA . 50270 1 606 . 1 . 1 116 116 VAL C C 13 175.944 0 . 1 . . . . . 242 VAL C . 50270 1 607 . 1 . 1 116 116 VAL CA C 13 62.067 0 . 1 . . . . . 242 VAL CA . 50270 1 608 . 1 . 1 116 116 VAL CB C 13 32.297 0 . 1 . . . . . 242 VAL CB . 50270 1 609 . 1 . 1 116 116 VAL N N 15 122.241 0 . 1 . . . . . 242 VAL N . 50270 1 610 . 1 . 1 117 117 ARG H H 1 8.535 0 . 1 . . . . . 243 ARG H . 50270 1 611 . 1 . 1 117 117 ARG CA C 13 56.461 0 . 1 . . . . . 243 ARG CA . 50270 1 612 . 1 . 1 117 117 ARG CB C 13 31.113 0 . 1 . . . . . 243 ARG CB . 50270 1 613 . 1 . 1 117 117 ARG N N 15 125.936 0 . 1 . . . . . 243 ARG N . 50270 1 614 . 1 . 1 119 119 ASN HA H 1 4.588 0 . 1 . . . . . 245 ASN HA . 50270 1 615 . 1 . 1 119 119 ASN C C 13 176.477 0 . 1 . . . . . 245 ASN C . 50270 1 616 . 1 . 1 119 119 ASN CA C 13 52.937 0 . 1 . . . . . 245 ASN CA . 50270 1 617 . 1 . 1 119 119 ASN CB C 13 37.323 0 . 1 . . . . . 245 ASN CB . 50270 1 618 . 1 . 1 120 120 GLY H H 1 8.334 0 . 1 . . . . . 246 GLY H . 50270 1 619 . 1 . 1 120 120 GLY C C 13 173.538 0 . 1 . . . . . 246 GLY C . 50270 1 620 . 1 . 1 120 120 GLY CA C 13 45.303 0 . 1 . . . . . 246 GLY CA . 50270 1 621 . 1 . 1 120 120 GLY N N 15 107.61 0 . 1 . . . . . 246 GLY N . 50270 1 622 . 1 . 1 121 121 VAL H H 1 7.209 0 . 1 . . . . . 247 VAL H . 50270 1 623 . 1 . 1 121 121 VAL HA H 1 4.289 0 . 1 . . . . . 247 VAL HA . 50270 1 624 . 1 . 1 121 121 VAL C C 13 176.242 0 . 1 . . . . . 247 VAL C . 50270 1 625 . 1 . 1 121 121 VAL CA C 13 61.679 0 . 1 . . . . . 247 VAL CA . 50270 1 626 . 1 . 1 121 121 VAL CB C 13 33.043 0 . 1 . . . . . 247 VAL CB . 50270 1 627 . 1 . 1 121 121 VAL N N 15 119.296 0 . 1 . . . . . 247 VAL N . 50270 1 628 . 1 . 1 122 122 ALA H H 1 8.964 0 . 1 . . . . . 248 ALA H . 50270 1 629 . 1 . 1 122 122 ALA HA H 1 4.612 0 . 1 . . . . . 248 ALA HA . 50270 1 630 . 1 . 1 122 122 ALA C C 13 176.04 0 . 1 . . . . . 248 ALA C . 50270 1 631 . 1 . 1 122 122 ALA CA C 13 52.788 0 . 1 . . . . . 248 ALA CA . 50270 1 632 . 1 . 1 122 122 ALA CB C 13 20.313 0 . 1 . . . . . 248 ALA CB . 50270 1 633 . 1 . 1 122 122 ALA N N 15 130.319 0 . 1 . . . . . 248 ALA N . 50270 1 634 . 1 . 1 123 123 ALA H H 1 8.206 0 . 1 . . . . . 249 ALA H . 50270 1 635 . 1 . 1 123 123 ALA HA H 1 5.028 0 . 1 . . . . . 249 ALA HA . 50270 1 636 . 1 . 1 123 123 ALA CA C 13 48.97 0 . 1 . . . . . 249 ALA CA . 50270 1 637 . 1 . 1 123 123 ALA CB C 13 19.366 0 . 1 . . . . . 249 ALA CB . 50270 1 638 . 1 . 1 123 123 ALA N N 15 124.73 0 . 1 . . . . . 249 ALA N . 50270 1 639 . 1 . 1 124 124 PRO HA H 1 4.572 0 . 1 . . . . . 250 PRO HA . 50270 1 640 . 1 . 1 124 124 PRO C C 13 176.443 0 . 1 . . . . . 250 PRO C . 50270 1 641 . 1 . 1 124 124 PRO CA C 13 63.039 0 . 1 . . . . . 250 PRO CA . 50270 1 642 . 1 . 1 124 124 PRO CB C 13 33.623 0 . 1 . . . . . 250 PRO CB . 50270 1 643 . 1 . 1 125 125 SER H H 1 9.522 0 . 1 . . . . . 251 SER H . 50270 1 644 . 1 . 1 125 125 SER HA H 1 4.533 0 . 1 . . . . . 251 SER HA . 50270 1 645 . 1 . 1 125 125 SER C C 13 173.619 0 . 1 . . . . . 251 SER C . 50270 1 646 . 1 . 1 125 125 SER CA C 13 58.24 0 . 1 . . . . . 251 SER CA . 50270 1 647 . 1 . 1 125 125 SER CB C 13 65.593 0 . 1 . . . . . 251 SER CB . 50270 1 648 . 1 . 1 125 125 SER N N 15 115.693 0 . 1 . . . . . 251 SER N . 50270 1 649 . 1 . 1 126 126 ALA H H 1 8.905 0 . 1 . . . . . 252 ALA H . 50270 1 650 . 1 . 1 126 126 ALA HA H 1 4.706 0 . 1 . . . . . 252 ALA HA . 50270 1 651 . 1 . 1 126 126 ALA C C 13 178.057 0 . 1 . . . . . 252 ALA C . 50270 1 652 . 1 . 1 126 126 ALA CA C 13 51.718 0 . 1 . . . . . 252 ALA CA . 50270 1 653 . 1 . 1 126 126 ALA CB C 13 20.067 0 . 1 . . . . . 252 ALA CB . 50270 1 654 . 1 . 1 126 126 ALA N N 15 127.413 0 . 1 . . . . . 252 ALA N . 50270 1 655 . 1 . 1 127 127 THR H H 1 8.74 0 . 1 . . . . . 253 THR H . 50270 1 656 . 1 . 1 127 127 THR HA H 1 4.723 0 . 1 . . . . . 253 THR HA . 50270 1 657 . 1 . 1 127 127 THR C C 13 176.15 0 . 1 . . . . . 253 THR C . 50270 1 658 . 1 . 1 127 127 THR CA C 13 62.19 0 . 1 . . . . . 253 THR CA . 50270 1 659 . 1 . 1 127 127 THR CB C 13 70.088 0 . 1 . . . . . 253 THR CB . 50270 1 660 . 1 . 1 127 127 THR N N 15 109.606 0 . 1 . . . . . 253 THR N . 50270 1 661 . 1 . 1 128 128 SER H H 1 8.568 0 . 1 . . . . . 254 SER H . 50270 1 662 . 1 . 1 128 128 SER C C 13 172.643 0 . 1 . . . . . 254 SER C . 50270 1 663 . 1 . 1 128 128 SER CA C 13 57.377 0 . 1 . . . . . 254 SER CA . 50270 1 664 . 1 . 1 128 128 SER CB C 13 64.091 0 . 1 . . . . . 254 SER CB . 50270 1 665 . 1 . 1 128 128 SER N N 15 120.374 0 . 1 . . . . . 254 SER N . 50270 1 666 . 1 . 1 129 129 GLN H H 1 8.408 0 . 1 . . . . . 255 GLN H . 50270 1 667 . 1 . 1 129 129 GLN HA H 1 3.79 0 . 1 . . . . . 255 GLN HA . 50270 1 668 . 1 . 1 129 129 GLN C C 13 177.99 0 . 1 . . . . . 255 GLN C . 50270 1 669 . 1 . 1 129 129 GLN CA C 13 54.448 0 . 1 . . . . . 255 GLN CA . 50270 1 670 . 1 . 1 129 129 GLN CB C 13 30.121 0 . 1 . . . . . 255 GLN CB . 50270 1 671 . 1 . 1 129 129 GLN N N 15 125.779 0 . 1 . . . . . 255 GLN N . 50270 1 672 . 1 . 1 130 130 LEU H H 1 9.322 0 . 1 . . . . . 256 LEU H . 50270 1 673 . 1 . 1 130 130 LEU HA H 1 4.193 0 . 1 . . . . . 256 LEU HA . 50270 1 674 . 1 . 1 130 130 LEU C C 13 176.04 0 . 1 . . . . . 256 LEU C . 50270 1 675 . 1 . 1 130 130 LEU CA C 13 55.324 0 . 1 . . . . . 256 LEU CA . 50270 1 676 . 1 . 1 130 130 LEU CB C 13 42.527 0 . 1 . . . . . 256 LEU CB . 50270 1 677 . 1 . 1 130 130 LEU N N 15 125.208 0 . 1 . . . . . 256 LEU N . 50270 1 678 . 1 . 1 131 131 SER H H 1 8.159 0 . 1 . . . . . 257 SER H . 50270 1 679 . 1 . 1 131 131 SER HA H 1 4.264 0 . 1 . . . . . 257 SER HA . 50270 1 680 . 1 . 1 131 131 SER C C 13 175.065 0 . 1 . . . . . 257 SER C . 50270 1 681 . 1 . 1 131 131 SER CA C 13 57.316 0 . 1 . . . . . 257 SER CA . 50270 1 682 . 1 . 1 131 131 SER CB C 13 64.54 0 . 1 . . . . . 257 SER CB . 50270 1 683 . 1 . 1 131 131 SER N N 15 117.957 0 . 1 . . . . . 257 SER N . 50270 1 684 . 1 . 1 132 132 THR H H 1 8.677 0 . 1 . . . . . 258 THR H . 50270 1 685 . 1 . 1 132 132 THR HA H 1 3.754 0 . 1 . . . . . 258 THR HA . 50270 1 686 . 1 . 1 132 132 THR C C 13 177.015 0 . 1 . . . . . 258 THR C . 50270 1 687 . 1 . 1 132 132 THR CA C 13 66.318 0 . 1 . . . . . 258 THR CA . 50270 1 688 . 1 . 1 132 132 THR CB C 13 67.743 0 . 1 . . . . . 258 THR CB . 50270 1 689 . 1 . 1 132 132 THR N N 15 115.11 0 . 1 . . . . . 258 THR N . 50270 1 690 . 1 . 1 133 133 ARG H H 1 8.036 0 . 1 . . . . . 259 ARG H . 50270 1 691 . 1 . 1 133 133 ARG HA H 1 4.154 0 . 1 . . . . . 259 ARG HA . 50270 1 692 . 1 . 1 133 133 ARG C C 13 179.403 0 . 1 . . . . . 259 ARG C . 50270 1 693 . 1 . 1 133 133 ARG CA C 13 58.674 0 . 1 . . . . . 259 ARG CA . 50270 1 694 . 1 . 1 133 133 ARG CB C 13 29.726 0 . 1 . . . . . 259 ARG CB . 50270 1 695 . 1 . 1 133 133 ARG N N 15 120.71 0 . 1 . . . . . 259 ARG N . 50270 1 696 . 1 . 1 134 134 ALA H H 1 7.933 0 . 1 . . . . . 260 ALA H . 50270 1 697 . 1 . 1 134 134 ALA HA H 1 4.042 0 . 1 . . . . . 260 ALA HA . 50270 1 698 . 1 . 1 134 134 ALA C C 13 180.714 0 . 1 . . . . . 260 ALA C . 50270 1 699 . 1 . 1 134 134 ALA CA C 13 54.794 0 . 1 . . . . . 260 ALA CA . 50270 1 700 . 1 . 1 134 134 ALA CB C 13 18.385 0 . 1 . . . . . 260 ALA CB . 50270 1 701 . 1 . 1 134 134 ALA N N 15 124.281 0 . 1 . . . . . 260 ALA N . 50270 1 702 . 1 . 1 135 135 LEU H H 1 7.602 0 . 1 . . . . . 261 LEU H . 50270 1 703 . 1 . 1 135 135 LEU HA H 1 3.478 0 . 1 . . . . . 261 LEU HA . 50270 1 704 . 1 . 1 135 135 LEU CA C 13 57.553 0 . 1 . . . . . 261 LEU CA . 50270 1 705 . 1 . 1 135 135 LEU CB C 13 42.362 0 . 1 . . . . . 261 LEU CB . 50270 1 706 . 1 . 1 135 135 LEU N N 15 118.138 0 . 1 . . . . . 261 LEU N . 50270 1 707 . 1 . 1 136 136 GLU H H 1 8.77 0 . 1 . . . . . 262 GLU H . 50270 1 708 . 1 . 1 136 136 GLU HA H 1 4.004 0 . 1 . . . . . 262 GLU HA . 50270 1 709 . 1 . 1 136 136 GLU C C 13 179.739 0 . 1 . . . . . 262 GLU C . 50270 1 710 . 1 . 1 136 136 GLU CA C 13 60.912 0 . 1 . . . . . 262 GLU CA . 50270 1 711 . 1 . 1 136 136 GLU CB C 13 29.657 0 . 1 . . . . . 262 GLU CB . 50270 1 712 . 1 . 1 136 136 GLU N N 15 119.681 0 . 1 . . . . . 262 GLU N . 50270 1 713 . 1 . 1 137 137 GLY H H 1 8.14 0 . 1 . . . . . 263 GLY H . 50270 1 714 . 1 . 1 137 137 GLY C C 13 176.208 0 . 1 . . . . . 263 GLY C . 50270 1 715 . 1 . 1 137 137 GLY CA C 13 46.596 0 . 1 . . . . . 263 GLY CA . 50270 1 716 . 1 . 1 137 137 GLY N N 15 105.559 0 . 1 . . . . . 263 GLY N . 50270 1 717 . 1 . 1 138 138 ILE H H 1 7.635 0 . 1 . . . . . 264 ILE H . 50270 1 718 . 1 . 1 138 138 ILE HA H 1 3.629 0 . 1 . . . . . 264 ILE HA . 50270 1 719 . 1 . 1 138 138 ILE C C 13 180.31 0 . 1 . . . . . 264 ILE C . 50270 1 720 . 1 . 1 138 138 ILE CA C 13 65.872 0 . 1 . . . . . 264 ILE CA . 50270 1 721 . 1 . 1 138 138 ILE CB C 13 37.318 0 . 1 . . . . . 264 ILE CB . 50270 1 722 . 1 . 1 138 138 ILE N N 15 124.043 0 . 1 . . . . . 264 ILE N . 50270 1 723 . 1 . 1 139 139 PHE H H 1 7.297 0 . 1 . . . . . 265 PHE H . 50270 1 724 . 1 . 1 139 139 PHE HA H 1 4.046 0 . 1 . . . . . 265 PHE HA . 50270 1 725 . 1 . 1 139 139 PHE C C 13 177.923 0 . 1 . . . . . 265 PHE C . 50270 1 726 . 1 . 1 139 139 PHE CA C 13 63.802 0 . 1 . . . . . 265 PHE CA . 50270 1 727 . 1 . 1 139 139 PHE CB C 13 38.213 0 . 1 . . . . . 265 PHE CB . 50270 1 728 . 1 . 1 139 139 PHE N N 15 120.979 0 . 1 . . . . . 265 PHE N . 50270 1 729 . 1 . 1 140 140 GLU H H 1 7.822 0 . 1 . . . . . 266 GLU H . 50270 1 730 . 1 . 1 140 140 GLU HA H 1 4.076 0 . 1 . . . . . 266 GLU HA . 50270 1 731 . 1 . 1 140 140 GLU C C 13 178.932 0 . 1 . . . . . 266 GLU C . 50270 1 732 . 1 . 1 140 140 GLU CA C 13 59.996 0 . 1 . . . . . 266 GLU CA . 50270 1 733 . 1 . 1 140 140 GLU CB C 13 29.934 0 . 1 . . . . . 266 GLU CB . 50270 1 734 . 1 . 1 140 140 GLU N N 15 119.282 0 . 1 . . . . . 266 GLU N . 50270 1 735 . 1 . 1 141 141 ALA H H 1 8.857 0 . 1 . . . . . 267 ALA H . 50270 1 736 . 1 . 1 141 141 ALA HA H 1 4.151 0 . 1 . . . . . 267 ALA HA . 50270 1 737 . 1 . 1 141 141 ALA C C 13 181.374 0 . 1 . . . . . 267 ALA C . 50270 1 738 . 1 . 1 141 141 ALA CA C 13 55.076 0 . 1 . . . . . 267 ALA CA . 50270 1 739 . 1 . 1 141 141 ALA CB C 13 18.518 0 . 1 . . . . . 267 ALA CB . 50270 1 740 . 1 . 1 141 141 ALA N N 15 121.166 0 . 1 . . . . . 267 ALA N . 50270 1 741 . 1 . 1 142 142 THR H H 1 8.082 0 . 1 . . . . . 268 THR H . 50270 1 742 . 1 . 1 142 142 THR C C 13 175.199 0 . 1 . . . . . 268 THR C . 50270 1 743 . 1 . 1 142 142 THR CA C 13 67.169 0 . 1 . . . . . 268 THR CA . 50270 1 744 . 1 . 1 142 142 THR CB C 13 68.329 0 . 1 . . . . . 268 THR CB . 50270 1 745 . 1 . 1 142 142 THR N N 15 115.009 0 . 1 . . . . . 268 THR N . 50270 1 746 . 1 . 1 143 143 HIS H H 1 8.3 0 . 1 . . . . . 269 HIS H . 50270 1 747 . 1 . 1 143 143 HIS C C 13 177.411 0 . 1 . . . . . 269 HIS C . 50270 1 748 . 1 . 1 143 143 HIS CA C 13 63.068 0 . 1 . . . . . 269 HIS CA . 50270 1 749 . 1 . 1 143 143 HIS CB C 13 31.307 0 . 1 . . . . . 269 HIS CB . 50270 1 750 . 1 . 1 143 143 HIS N N 15 122.843 0 . 1 . . . . . 269 HIS N . 50270 1 751 . 1 . 1 144 144 ARG H H 1 8.108 0 . 1 . . . . . 270 ARG H . 50270 1 752 . 1 . 1 144 144 ARG HA H 1 4.027 0 . 1 . . . . . 270 ARG HA . 50270 1 753 . 1 . 1 144 144 ARG C C 13 179.234 0 . 1 . . . . . 270 ARG C . 50270 1 754 . 1 . 1 144 144 ARG CA C 13 58.739 0 . 1 . . . . . 270 ARG CA . 50270 1 755 . 1 . 1 144 144 ARG CB C 13 30.222 0 . 1 . . . . . 270 ARG CB . 50270 1 756 . 1 . 1 144 144 ARG N N 15 118.24 0 . 1 . . . . . 270 ARG N . 50270 1 757 . 1 . 1 145 145 LEU H H 1 7.725 0 . 1 . . . . . 271 LEU H . 50270 1 758 . 1 . 1 145 145 LEU HA H 1 4.059 0 . 1 . . . . . 271 LEU HA . 50270 1 759 . 1 . 1 145 145 LEU C C 13 177.822 0 . 1 . . . . . 271 LEU C . 50270 1 760 . 1 . 1 145 145 LEU CA C 13 57.773 0 . 1 . . . . . 271 LEU CA . 50270 1 761 . 1 . 1 145 145 LEU CB C 13 42.242 0 . 1 . . . . . 271 LEU CB . 50270 1 762 . 1 . 1 145 145 LEU N N 15 120.392 0 . 1 . . . . . 271 LEU N . 50270 1 763 . 1 . 1 146 146 ILE H H 1 7.069 0 . 1 . . . . . 272 ILE H . 50270 1 764 . 1 . 1 146 146 ILE HA H 1 3.663 0 . 1 . . . . . 272 ILE HA . 50270 1 765 . 1 . 1 146 146 ILE C C 13 177.466 0 . 1 . . . . . 272 ILE C . 50270 1 766 . 1 . 1 146 146 ILE CA C 13 62.782 0 . 1 . . . . . 272 ILE CA . 50270 1 767 . 1 . 1 146 146 ILE CB C 13 38.846 0 . 1 . . . . . 272 ILE CB . 50270 1 768 . 1 . 1 146 146 ILE N N 15 116.048 0 . 1 . . . . . 272 ILE N . 50270 1 769 . 1 . 1 147 147 TYR H H 1 8.345 0 . 1 . . . . . 273 TYR H . 50270 1 770 . 1 . 1 147 147 TYR HA H 1 4.132 0 . 1 . . . . . 273 TYR HA . 50270 1 771 . 1 . 1 147 147 TYR C C 13 177.048 0 . 1 . . . . . 273 TYR C . 50270 1 772 . 1 . 1 147 147 TYR CA C 13 59.975 0 . 1 . . . . . 273 TYR CA . 50270 1 773 . 1 . 1 147 147 TYR CB C 13 39.255 0 . 1 . . . . . 273 TYR CB . 50270 1 774 . 1 . 1 147 147 TYR N N 15 116.553 0 . 1 . . . . . 273 TYR N . 50270 1 775 . 1 . 1 148 148 GLY H H 1 8.023 0 . 1 . . . . . 274 GLY H . 50270 1 776 . 1 . 1 148 148 GLY C C 13 173.013 0 . 1 . . . . . 274 GLY C . 50270 1 777 . 1 . 1 148 148 GLY CA C 13 45.132 0 . 1 . . . . . 274 GLY CA . 50270 1 778 . 1 . 1 148 148 GLY N N 15 108.89 0 . 1 . . . . . 274 GLY N . 50270 1 779 . 1 . 1 149 149 ALA H H 1 8.359 0 . 1 . . . . . 275 ALA H . 50270 1 780 . 1 . 1 149 149 ALA HA H 1 4.325 0 . 1 . . . . . 275 ALA HA . 50270 1 781 . 1 . 1 149 149 ALA C C 13 177.99 0 . 1 . . . . . 275 ALA C . 50270 1 782 . 1 . 1 149 149 ALA CA C 13 52.474 0 . 1 . . . . . 275 ALA CA . 50270 1 783 . 1 . 1 149 149 ALA CB C 13 19.478 0 . 1 . . . . . 275 ALA CB . 50270 1 784 . 1 . 1 149 149 ALA N N 15 120.959 0 . 1 . . . . . 275 ALA N . 50270 1 785 . 1 . 1 150 150 LYS H H 1 8 0 . 1 . . . . . 276 LYS H . 50270 1 786 . 1 . 1 150 150 LYS HA H 1 4.327 0 . 1 . . . . . 276 LYS HA . 50270 1 787 . 1 . 1 150 150 LYS C C 13 175.67 0 . 1 . . . . . 276 LYS C . 50270 1 788 . 1 . 1 150 150 LYS CA C 13 55.223 0 . 1 . . . . . 276 LYS CA . 50270 1 789 . 1 . 1 150 150 LYS CB C 13 34.133 0 . 1 . . . . . 276 LYS CB . 50270 1 790 . 1 . 1 150 150 LYS N N 15 118.186 0 . 1 . . . . . 276 LYS N . 50270 1 791 . 1 . 1 151 151 ASP H H 1 8.225 0 . 1 . . . . . 277 ASP H . 50270 1 792 . 1 . 1 151 151 ASP HA H 1 4.557 0 . 1 . . . . . 277 ASP HA . 50270 1 793 . 1 . 1 151 151 ASP C C 13 176.947 0 . 1 . . . . . 277 ASP C . 50270 1 794 . 1 . 1 151 151 ASP CA C 13 53.312 0 . 1 . . . . . 277 ASP CA . 50270 1 795 . 1 . 1 151 151 ASP CB C 13 41.237 0 . 1 . . . . . 277 ASP CB . 50270 1 796 . 1 . 1 151 151 ASP N N 15 121.153 0 . 1 . . . . . 277 ASP N . 50270 1 797 . 1 . 1 152 152 ASP H H 1 8.385 0 . 1 . . . . . 278 ASP H . 50270 1 798 . 1 . 1 152 152 ASP HA H 1 4.527 0 . 1 . . . . . 278 ASP HA . 50270 1 799 . 1 . 1 152 152 ASP C C 13 177.049 0 . 1 . . . . . 278 ASP C . 50270 1 800 . 1 . 1 152 152 ASP CA C 13 55.471 0 . 1 . . . . . 278 ASP CA . 50270 1 801 . 1 . 1 152 152 ASP CB C 13 40.868 0 . 1 . . . . . 278 ASP CB . 50270 1 802 . 1 . 1 152 152 ASP N N 15 119.615 0 . 1 . . . . . 278 ASP N . 50270 1 803 . 1 . 1 153 153 SER H H 1 8.392 0 . 1 . . . . . 279 SER H . 50270 1 804 . 1 . 1 153 153 SER HA H 1 4.466 0 . 1 . . . . . 279 SER HA . 50270 1 805 . 1 . 1 153 153 SER C C 13 175.3 0 . 1 . . . . . 279 SER C . 50270 1 806 . 1 . 1 153 153 SER CA C 13 58.851 0 . 1 . . . . . 279 SER CA . 50270 1 807 . 1 . 1 153 153 SER CB C 13 63.932 0 . 1 . . . . . 279 SER CB . 50270 1 808 . 1 . 1 153 153 SER N N 15 115.887 0 . 1 . . . . . 279 SER N . 50270 1 809 . 1 . 1 154 154 GLY H H 1 8.346 0 . 1 . . . . . 280 GLY H . 50270 1 810 . 1 . 1 154 154 GLY HA2 H 1 4.094 0 . 1 . . . . . 280 GLY HA2 . 50270 1 811 . 1 . 1 154 154 GLY HA3 H 1 3.744 0 . 1 . . . . . 280 GLY HA3 . 50270 1 812 . 1 . 1 154 154 GLY C C 13 174.199 0 . 1 . . . . . 280 GLY C . 50270 1 813 . 1 . 1 154 154 GLY CA C 13 45.554 0 . 1 . . . . . 280 GLY CA . 50270 1 814 . 1 . 1 154 154 GLY N N 15 110.626 0 . 1 . . . . . 280 GLY N . 50270 1 815 . 1 . 1 155 155 GLN H H 1 8.091 0 . 1 . . . . . 281 GLN H . 50270 1 816 . 1 . 1 155 155 GLN HA H 1 4.284 0 . 1 . . . . . 281 GLN HA . 50270 1 817 . 1 . 1 155 155 GLN C C 13 175.729 0 . 1 . . . . . 281 GLN C . 50270 1 818 . 1 . 1 155 155 GLN CA C 13 55.271 0 . 1 . . . . . 281 GLN CA . 50270 1 819 . 1 . 1 155 155 GLN CB C 13 29.622 0 . 1 . . . . . 281 GLN CB . 50270 1 820 . 1 . 1 155 155 GLN N N 15 120.094 0 . 1 . . . . . 281 GLN N . 50270 1 821 . 1 . 1 156 156 ARG H H 1 8.414 0 . 1 . . . . . 282 ARG H . 50270 1 822 . 1 . 1 156 156 ARG HA H 1 4.271 0 . 1 . . . . . 282 ARG HA . 50270 1 823 . 1 . 1 156 156 ARG C C 13 176.544 0 . 1 . . . . . 282 ARG C . 50270 1 824 . 1 . 1 156 156 ARG CA C 13 56.172 0 . 1 . . . . . 282 ARG CA . 50270 1 825 . 1 . 1 156 156 ARG CB C 13 30.211 0 . 1 . . . . . 282 ARG CB . 50270 1 826 . 1 . 1 156 156 ARG N N 15 122.119 0 . 1 . . . . . 282 ARG N . 50270 1 827 . 1 . 1 157 157 TYR H H 1 7.844 0 . 1 . . . . . 283 TYR H . 50270 1 828 . 1 . 1 157 157 TYR HA H 1 4.391 0 . 1 . . . . . 283 TYR HA . 50270 1 829 . 1 . 1 157 157 TYR C C 13 175.611 0 . 1 . . . . . 283 TYR C . 50270 1 830 . 1 . 1 157 157 TYR CA C 13 58.205 0 . 1 . . . . . 283 TYR CA . 50270 1 831 . 1 . 1 157 157 TYR CB C 13 39.234 0 . 1 . . . . . 283 TYR CB . 50270 1 832 . 1 . 1 157 157 TYR N N 15 121.712 0 . 1 . . . . . 283 TYR N . 50270 1 833 . 1 . 1 158 158 LEU H H 1 7.785 0 . 1 . . . . . 284 LEU H . 50270 1 834 . 1 . 1 158 158 LEU HA H 1 4.162 0 . 1 . . . . . 284 LEU HA . 50270 1 835 . 1 . 1 158 158 LEU C C 13 173.383 0 . 1 . . . . . 284 LEU C . 50270 1 836 . 1 . 1 158 158 LEU CA C 13 54.824 0 . 1 . . . . . 284 LEU CA . 50270 1 837 . 1 . 1 158 158 LEU CB C 13 42.644 0 . 1 . . . . . 284 LEU CB . 50270 1 838 . 1 . 1 158 158 LEU N N 15 124.723 0 . 1 . . . . . 284 LEU N . 50270 1 839 . 1 . 1 159 159 ALA H H 1 7.721 0 . 1 . . . . . 285 ALA H . 50270 1 840 . 1 . 1 159 159 ALA CA C 13 49.662 0 . 1 . . . . . 285 ALA CA . 50270 1 841 . 1 . 1 159 159 ALA CB C 13 21.714 0 . 1 . . . . . 285 ALA CB . 50270 1 842 . 1 . 1 159 159 ALA N N 15 124.757 0 . 1 . . . . . 285 ALA N . 50270 1 843 . 1 . 1 160 160 TRP H H 1 10.351 0 . 1 . . . . . 286 TRP H . 50270 1 844 . 1 . 1 160 160 TRP C C 13 172.98 0 . 1 . . . . . 286 TRP C . 50270 1 845 . 1 . 1 160 160 TRP CA C 13 58.889 0 . 1 . . . . . 286 TRP CA . 50270 1 846 . 1 . 1 160 160 TRP CB C 13 29.104 0 . 1 . . . . . 286 TRP CB . 50270 1 847 . 1 . 1 160 160 TRP N N 15 132.045 0 . 1 . . . . . 286 TRP N . 50270 1 848 . 1 . 1 161 161 SER H H 1 9.498 0 . 1 . . . . . 287 SER H . 50270 1 849 . 1 . 1 161 161 SER C C 13 174.964 0 . 1 . . . . . 287 SER C . 50270 1 850 . 1 . 1 161 161 SER CA C 13 56.455 0 . 1 . . . . . 287 SER CA . 50270 1 851 . 1 . 1 161 161 SER CB C 13 65.751 0 . 1 . . . . . 287 SER CB . 50270 1 852 . 1 . 1 161 161 SER N N 15 115.268 0 . 1 . . . . . 287 SER N . 50270 1 853 . 1 . 1 162 162 GLY H H 1 9.466 0 . 1 . . . . . 288 GLY H . 50270 1 854 . 1 . 1 162 162 GLY C C 13 175.663 0 . 1 . . . . . 288 GLY C . 50270 1 855 . 1 . 1 162 162 GLY CA C 13 47.488 0 . 1 . . . . . 288 GLY CA . 50270 1 856 . 1 . 1 162 162 GLY N N 15 104.932 0 . 1 . . . . . 288 GLY N . 50270 1 857 . 1 . 1 163 163 HIS H H 1 8.241 0 . 1 . . . . . 289 HIS H . 50270 1 858 . 1 . 1 163 163 HIS HA H 1 4.45 0 . 1 . . . . . 289 HIS HA . 50270 1 859 . 1 . 1 163 163 HIS C C 13 177.318 0 . 1 . . . . . 289 HIS C . 50270 1 860 . 1 . 1 163 163 HIS CA C 13 57.224 0 . 1 . . . . . 289 HIS CA . 50270 1 861 . 1 . 1 163 163 HIS CB C 13 32.42 0 . 1 . . . . . 289 HIS CB . 50270 1 862 . 1 . 1 163 163 HIS N N 15 118.234 0 . 1 . . . . . 289 HIS N . 50270 1 863 . 1 . 1 164 164 SER H H 1 8.248 0 . 1 . . . . . 290 SER H . 50270 1 864 . 1 . 1 164 164 SER HA H 1 4.196 0 . 1 . . . . . 290 SER HA . 50270 1 865 . 1 . 1 164 164 SER C C 13 176.709 0 . 1 . . . . . 290 SER C . 50270 1 866 . 1 . 1 164 164 SER CA C 13 65.731 0 . 1 . . . . . 290 SER CA . 50270 1 867 . 1 . 1 164 164 SER CB C 13 63.141 0 . 1 . . . . . 290 SER CB . 50270 1 868 . 1 . 1 164 164 SER N N 15 115.525 0 . 1 . . . . . 290 SER N . 50270 1 869 . 1 . 1 165 165 ALA H H 1 7.995 0 . 1 . . . . . 291 ALA H . 50270 1 870 . 1 . 1 165 165 ALA HA H 1 5.267 0 . 1 . . . . . 291 ALA HA . 50270 1 871 . 1 . 1 165 165 ALA C C 13 177.318 0 . 1 . . . . . 291 ALA C . 50270 1 872 . 1 . 1 165 165 ALA CA C 13 54.26 0 . 1 . . . . . 291 ALA CA . 50270 1 873 . 1 . 1 165 165 ALA CB C 13 17.743 0 . 1 . . . . . 291 ALA CB . 50270 1 874 . 1 . 1 165 165 ALA N N 15 125.87 0 . 1 . . . . . 291 ALA N . 50270 1 875 . 1 . 1 166 166 ARG H H 1 7.858 0 . 1 . . . . . 292 ARG H . 50270 1 876 . 1 . 1 166 166 ARG HA H 1 3.925 0 . 1 . . . . . 292 ARG HA . 50270 1 877 . 1 . 1 166 166 ARG C C 13 177.62 0 . 1 . . . . . 292 ARG C . 50270 1 878 . 1 . 1 166 166 ARG CA C 13 60.157 0 . 1 . . . . . 292 ARG CA . 50270 1 879 . 1 . 1 166 166 ARG CB C 13 29.909 0 . 1 . . . . . 292 ARG CB . 50270 1 880 . 1 . 1 166 166 ARG N N 15 121.053 0 . 1 . . . . . 292 ARG N . 50270 1 881 . 1 . 1 167 167 VAL H H 1 7.812 0 . 1 . . . . . 293 VAL H . 50270 1 882 . 1 . 1 167 167 VAL HA H 1 3.309 0 . 1 . . . . . 293 VAL HA . 50270 1 883 . 1 . 1 167 167 VAL C C 13 178.326 0 . 1 . . . . . 293 VAL C . 50270 1 884 . 1 . 1 167 167 VAL CA C 13 66.159 0 . 1 . . . . . 293 VAL CA . 50270 1 885 . 1 . 1 167 167 VAL CB C 13 32.685 0 . 1 . . . . . 293 VAL CB . 50270 1 886 . 1 . 1 167 167 VAL N N 15 115.187 0 . 1 . . . . . 293 VAL N . 50270 1 887 . 1 . 1 168 168 GLY H H 1 8.291 0 . 1 . . . . . 294 GLY H . 50270 1 888 . 1 . 1 168 168 GLY C C 13 175.031 0 . 1 . . . . . 294 GLY C . 50270 1 889 . 1 . 1 168 168 GLY CA C 13 48.258 0 . 1 . . . . . 294 GLY CA . 50270 1 890 . 1 . 1 168 168 GLY N N 15 105.337 0 . 1 . . . . . 294 GLY N . 50270 1 891 . 1 . 1 169 169 ALA H H 1 9.061 0 . 1 . . . . . 295 ALA H . 50270 1 892 . 1 . 1 169 169 ALA HA H 1 4.16 0 . 1 . . . . . 295 ALA HA . 50270 1 893 . 1 . 1 169 169 ALA C C 13 181.185 0 . 1 . . . . . 295 ALA C . 50270 1 894 . 1 . 1 169 169 ALA CA C 13 55.444 0 . 1 . . . . . 295 ALA CA . 50270 1 895 . 1 . 1 169 169 ALA CB C 13 18.282 0 . 1 . . . . . 295 ALA CB . 50270 1 896 . 1 . 1 169 169 ALA N N 15 123.126 0 . 1 . . . . . 295 ALA N . 50270 1 897 . 1 . 1 170 170 ALA H H 1 7.917 0 . 1 . . . . . 296 ALA H . 50270 1 898 . 1 . 1 170 170 ALA HA H 1 4.119 0 . 1 . . . . . 296 ALA HA . 50270 1 899 . 1 . 1 170 170 ALA C C 13 179.268 0 . 1 . . . . . 296 ALA C . 50270 1 900 . 1 . 1 170 170 ALA CA C 13 55.138 0 . 1 . . . . . 296 ALA CA . 50270 1 901 . 1 . 1 170 170 ALA CB C 13 18.503 0 . 1 . . . . . 296 ALA CB . 50270 1 902 . 1 . 1 170 170 ALA N N 15 120.089 0 . 1 . . . . . 296 ALA N . 50270 1 903 . 1 . 1 171 171 ARG H H 1 7.831 0 . 1 . . . . . 297 ARG H . 50270 1 904 . 1 . 1 171 171 ARG HA H 1 3.766 0 . 1 . . . . . 297 ARG HA . 50270 1 905 . 1 . 1 171 171 ARG CA C 13 60.368 0 . 1 . . . . . 297 ARG CA . 50270 1 906 . 1 . 1 171 171 ARG CB C 13 29.165 0 . 1 . . . . . 297 ARG CB . 50270 1 907 . 1 . 1 171 171 ARG N N 15 117.511 0 . 1 . . . . . 297 ARG N . 50270 1 908 . 1 . 1 172 172 ASP H H 1 8.774 0 . 1 . . . . . 298 ASP H . 50270 1 909 . 1 . 1 172 172 ASP HA H 1 4.535 0 . 1 . . . . . 298 ASP HA . 50270 1 910 . 1 . 1 172 172 ASP C C 13 180.277 0 . 1 . . . . . 298 ASP C . 50270 1 911 . 1 . 1 172 172 ASP CA C 13 57.975 0 . 1 . . . . . 298 ASP CA . 50270 1 912 . 1 . 1 172 172 ASP CB C 13 40.346 0 . 1 . . . . . 298 ASP CB . 50270 1 913 . 1 . 1 172 172 ASP N N 15 119.458 0 . 1 . . . . . 298 ASP N . 50270 1 914 . 1 . 1 173 173 MET H H 1 8.823 0 . 1 . . . . . 299 MET H . 50270 1 915 . 1 . 1 173 173 MET HA H 1 4.117 0 . 1 . . . . . 299 MET HA . 50270 1 916 . 1 . 1 173 173 MET C C 13 178.091 0 . 1 . . . . . 299 MET C . 50270 1 917 . 1 . 1 173 173 MET CA C 13 59.926 0 . 1 . . . . . 299 MET CA . 50270 1 918 . 1 . 1 173 173 MET CB C 13 33.591 0 . 1 . . . . . 299 MET CB . 50270 1 919 . 1 . 1 173 173 MET N N 15 122.868 0 . 1 . . . . . 299 MET N . 50270 1 920 . 1 . 1 174 174 ALA H H 1 8.397 0 . 1 . . . . . 300 ALA H . 50270 1 921 . 1 . 1 174 174 ALA HA H 1 4.04 0 . 1 . . . . . 300 ALA HA . 50270 1 922 . 1 . 1 174 174 ALA C C 13 183.034 0 . 1 . . . . . 300 ALA C . 50270 1 923 . 1 . 1 174 174 ALA CA C 13 55.413 0 . 1 . . . . . 300 ALA CA . 50270 1 924 . 1 . 1 174 174 ALA CB C 13 18.224 0 . 1 . . . . . 300 ALA CB . 50270 1 925 . 1 . 1 174 174 ALA N N 15 123.752 0 . 1 . . . . . 300 ALA N . 50270 1 926 . 1 . 1 175 175 ARG H H 1 8.704 0 . 1 . . . . . 301 ARG H . 50270 1 927 . 1 . 1 175 175 ARG HA H 1 4.007 0 . 1 . . . . . 301 ARG HA . 50270 1 928 . 1 . 1 175 175 ARG C C 13 177.721 0 . 1 . . . . . 301 ARG C . 50270 1 929 . 1 . 1 175 175 ARG CA C 13 59.964 0 . 1 . . . . . 301 ARG CA . 50270 1 930 . 1 . 1 175 175 ARG CB C 13 30.501 0 . 1 . . . . . 301 ARG CB . 50270 1 931 . 1 . 1 175 175 ARG N N 15 120.734 0 . 1 . . . . . 301 ARG N . 50270 1 932 . 1 . 1 176 176 ALA H H 1 7.533 0 . 1 . . . . . 302 ALA H . 50270 1 933 . 1 . 1 176 176 ALA HA H 1 4.427 0 . 1 . . . . . 302 ALA HA . 50270 1 934 . 1 . 1 176 176 ALA C C 13 177.751 0 . 1 . . . . . 302 ALA C . 50270 1 935 . 1 . 1 176 176 ALA CA C 13 52.078 0 . 1 . . . . . 302 ALA CA . 50270 1 936 . 1 . 1 176 176 ALA CB C 13 18.832 0 . 1 . . . . . 302 ALA CB . 50270 1 937 . 1 . 1 176 176 ALA N N 15 119.464 0 . 1 . . . . . 302 ALA N . 50270 1 938 . 1 . 1 177 177 GLY H H 1 7.847 0 . 1 . . . . . 303 GLY H . 50270 1 939 . 1 . 1 177 177 GLY HA2 H 1 4.175 0 . 1 . . . . . 303 GLY HA2 . 50270 1 940 . 1 . 1 177 177 GLY HA3 H 1 3.765 0 . 1 . . . . . 303 GLY HA3 . 50270 1 941 . 1 . 1 177 177 GLY C C 13 174.653 0 . 1 . . . . . 303 GLY C . 50270 1 942 . 1 . 1 177 177 GLY CA C 13 45.388 0 . 1 . . . . . 303 GLY CA . 50270 1 943 . 1 . 1 177 177 GLY N N 15 107.022 0 . 1 . . . . . 303 GLY N . 50270 1 944 . 1 . 1 178 178 VAL H H 1 7.849 0 . 1 . . . . . 304 VAL H . 50270 1 945 . 1 . 1 178 178 VAL HA H 1 3.783 0 . 1 . . . . . 304 VAL HA . 50270 1 946 . 1 . 1 178 178 VAL C C 13 175.45 0 . 1 . . . . . 304 VAL C . 50270 1 947 . 1 . 1 178 178 VAL CA C 13 63.612 0 . 1 . . . . . 304 VAL CA . 50270 1 948 . 1 . 1 178 178 VAL CB C 13 31.286 0 . 1 . . . . . 304 VAL CB . 50270 1 949 . 1 . 1 178 178 VAL N N 15 123.4 0 . 1 . . . . . 304 VAL N . 50270 1 950 . 1 . 1 179 179 SER H H 1 8.192 0 . 1 . . . . . 305 SER H . 50270 1 951 . 1 . 1 179 179 SER HA H 1 4.298 0 . 1 . . . . . 305 SER HA . 50270 1 952 . 1 . 1 179 179 SER C C 13 174.583 0 . 1 . . . . . 305 SER C . 50270 1 953 . 1 . 1 179 179 SER CA C 13 58.787 0 . 1 . . . . . 305 SER CA . 50270 1 954 . 1 . 1 179 179 SER CB C 13 64.637 0 . 1 . . . . . 305 SER CB . 50270 1 955 . 1 . 1 179 179 SER N N 15 122.536 0 . 1 . . . . . 305 SER N . 50270 1 956 . 1 . 1 180 180 ILE H H 1 8.887 0 . 1 . . . . . 306 ILE H . 50270 1 957 . 1 . 1 180 180 ILE HA H 1 3.84 0 . 1 . . . . . 306 ILE HA . 50270 1 958 . 1 . 1 180 180 ILE CA C 13 66.269 0 . 1 . . . . . 306 ILE CA . 50270 1 959 . 1 . 1 180 180 ILE CB C 13 34.937 0 . 1 . . . . . 306 ILE CB . 50270 1 960 . 1 . 1 180 180 ILE N N 15 121.245 0 . 1 . . . . . 306 ILE N . 50270 1 961 . 1 . 1 181 181 PRO HA H 1 4.392 0 . 1 . . . . . 307 PRO HA . 50270 1 962 . 1 . 1 181 181 PRO C C 13 179.638 0 . 1 . . . . . 307 PRO C . 50270 1 963 . 1 . 1 181 181 PRO CA C 13 66.42 0 . 1 . . . . . 307 PRO CA . 50270 1 964 . 1 . 1 181 181 PRO CB C 13 30.655 0 . 1 . . . . . 307 PRO CB . 50270 1 965 . 1 . 1 182 182 GLU H H 1 7.342 0 . 1 . . . . . 308 GLU H . 50270 1 966 . 1 . 1 182 182 GLU HA H 1 4.067 0 . 1 . . . . . 308 GLU HA . 50270 1 967 . 1 . 1 182 182 GLU C C 13 179.873 0 . 1 . . . . . 308 GLU C . 50270 1 968 . 1 . 1 182 182 GLU CA C 13 59.592 0 . 1 . . . . . 308 GLU CA . 50270 1 969 . 1 . 1 182 182 GLU CB C 13 29.808 0 . 1 . . . . . 308 GLU CB . 50270 1 970 . 1 . 1 182 182 GLU N N 15 117.328 0 . 1 . . . . . 308 GLU N . 50270 1 971 . 1 . 1 183 183 ILE H H 1 8.368 0 . 1 . . . . . 309 ILE H . 50270 1 972 . 1 . 1 183 183 ILE HA H 1 3.742 0 . 1 . . . . . 309 ILE HA . 50270 1 973 . 1 . 1 183 183 ILE C C 13 178.394 0 . 1 . . . . . 309 ILE C . 50270 1 974 . 1 . 1 183 183 ILE CA C 13 66.606 0 . 1 . . . . . 309 ILE CA . 50270 1 975 . 1 . 1 183 183 ILE CB C 13 38.746 0 . 1 . . . . . 309 ILE CB . 50270 1 976 . 1 . 1 183 183 ILE N N 15 124.468 0 . 1 . . . . . 309 ILE N . 50270 1 977 . 1 . 1 184 184 MET H H 1 8.855 0 . 1 . . . . . 310 MET H . 50270 1 978 . 1 . 1 184 184 MET HA H 1 4.398 0 . 1 . . . . . 310 MET HA . 50270 1 979 . 1 . 1 184 184 MET C C 13 178.495 0 . 1 . . . . . 310 MET C . 50270 1 980 . 1 . 1 184 184 MET CA C 13 60.328 0 . 1 . . . . . 310 MET CA . 50270 1 981 . 1 . 1 184 184 MET CB C 13 33.263 0 . 1 . . . . . 310 MET CB . 50270 1 982 . 1 . 1 184 184 MET N N 15 116.812 0 . 1 . . . . . 310 MET N . 50270 1 983 . 1 . 1 185 185 GLN H H 1 7.949 0 . 1 . . . . . 311 GLN H . 50270 1 984 . 1 . 1 185 185 GLN HA H 1 4.163 0 . 1 . . . . . 311 GLN HA . 50270 1 985 . 1 . 1 185 185 GLN C C 13 179.147 0 . 1 . . . . . 311 GLN C . 50270 1 986 . 1 . 1 185 185 GLN CA C 13 58.531 0 . 1 . . . . . 311 GLN CA . 50270 1 987 . 1 . 1 185 185 GLN CB C 13 28.676 0 . 1 . . . . . 311 GLN CB . 50270 1 988 . 1 . 1 185 185 GLN N N 15 116.592 0 . 1 . . . . . 311 GLN N . 50270 1 989 . 1 . 1 186 186 ALA H H 1 8.142 0 . 1 . . . . . 312 ALA H . 50270 1 990 . 1 . 1 186 186 ALA HA H 1 4.087 0 . 1 . . . . . 312 ALA HA . 50270 1 991 . 1 . 1 186 186 ALA C C 13 178.856 0 . 1 . . . . . 312 ALA C . 50270 1 992 . 1 . 1 186 186 ALA CA C 13 55.176 0 . 1 . . . . . 312 ALA CA . 50270 1 993 . 1 . 1 186 186 ALA CB C 13 18.476 0 . 1 . . . . . 312 ALA CB . 50270 1 994 . 1 . 1 186 186 ALA N N 15 122.942 0 . 1 . . . . . 312 ALA N . 50270 1 995 . 1 . 1 187 187 GLY H H 1 7.723 0 . 1 . . . . . 313 GLY H . 50270 1 996 . 1 . 1 187 187 GLY C C 13 174.325 0 . 1 . . . . . 313 GLY C . 50270 1 997 . 1 . 1 187 187 GLY CA C 13 43.59 0 . 1 . . . . . 313 GLY CA . 50270 1 998 . 1 . 1 187 187 GLY N N 15 99.312 0 . 1 . . . . . 313 GLY N . 50270 1 999 . 1 . 1 188 188 GLY H H 1 7.711 0 . 1 . . . . . 314 GLY H . 50270 1 1000 . 1 . 1 188 188 GLY C C 13 175.303 0 . 1 . . . . . 314 GLY C . 50270 1 1001 . 1 . 1 188 188 GLY CA C 13 45.994 0 . 1 . . . . . 314 GLY CA . 50270 1 1002 . 1 . 1 188 188 GLY N N 15 110.356 0 . 1 . . . . . 314 GLY N . 50270 1 1003 . 1 . 1 189 189 TRP H H 1 8.376 0 . 1 . . . . . 315 TRP H . 50270 1 1004 . 1 . 1 189 189 TRP CA C 13 60.609 0 . 1 . . . . . 315 TRP CA . 50270 1 1005 . 1 . 1 189 189 TRP CB C 13 30.529 0 . 1 . . . . . 315 TRP CB . 50270 1 1006 . 1 . 1 189 189 TRP N N 15 119.514 0 . 1 . . . . . 315 TRP N . 50270 1 1007 . 1 . 1 190 190 THR HA H 1 4.395 0 . 1 . . . . . 316 THR HA . 50270 1 1008 . 1 . 1 190 190 THR C C 13 174.158 0 . 1 . . . . . 316 THR C . 50270 1 1009 . 1 . 1 190 190 THR CA C 13 61.456 0 . 1 . . . . . 316 THR CA . 50270 1 1010 . 1 . 1 190 190 THR CB C 13 70.14 0 . 1 . . . . . 316 THR CB . 50270 1 1011 . 1 . 1 191 191 ASN H H 1 7.283 0 . 1 . . . . . 317 ASN H . 50270 1 1012 . 1 . 1 191 191 ASN HA H 1 5.014 0 . 1 . . . . . 317 ASN HA . 50270 1 1013 . 1 . 1 191 191 ASN C C 13 175.704 0 . 1 . . . . . 317 ASN C . 50270 1 1014 . 1 . 1 191 191 ASN CA C 13 51.674 0 . 1 . . . . . 317 ASN CA . 50270 1 1015 . 1 . 1 191 191 ASN CB C 13 40.02 0 . 1 . . . . . 317 ASN CB . 50270 1 1016 . 1 . 1 191 191 ASN N N 15 119.957 0 . 1 . . . . . 317 ASN N . 50270 1 1017 . 1 . 1 192 192 VAL H H 1 8.96 0 . 1 . . . . . 318 VAL H . 50270 1 1018 . 1 . 1 192 192 VAL HA H 1 3.794 0 . 1 . . . . . 318 VAL HA . 50270 1 1019 . 1 . 1 192 192 VAL CA C 13 64.404 0 . 1 . . . . . 318 VAL CA . 50270 1 1020 . 1 . 1 192 192 VAL CB C 13 32.362 0 . 1 . . . . . 318 VAL CB . 50270 1 1021 . 1 . 1 192 192 VAL N N 15 126.516 0 . 1 . . . . . 318 VAL N . 50270 1 1022 . 1 . 1 193 193 ASN H H 1 8.119 0 . 1 . . . . . 319 ASN H . 50270 1 1023 . 1 . 1 193 193 ASN HA H 1 4.171 0 . 1 . . . . . 319 ASN HA . 50270 1 1024 . 1 . 1 193 193 ASN C C 13 177.816 0 . 1 . . . . . 319 ASN C . 50270 1 1025 . 1 . 1 193 193 ASN CA C 13 56.041 0 . 1 . . . . . 319 ASN CA . 50270 1 1026 . 1 . 1 193 193 ASN CB C 13 38.085 0 . 1 . . . . . 319 ASN CB . 50270 1 1027 . 1 . 1 193 193 ASN N N 15 118.111 0 . 1 . . . . . 319 ASN N . 50270 1 1028 . 1 . 1 194 194 ILE H H 1 7.23 0 . 1 . . . . . 320 ILE H . 50270 1 1029 . 1 . 1 194 194 ILE HA H 1 3.192 0 . 1 . . . . . 320 ILE HA . 50270 1 1030 . 1 . 1 194 194 ILE C C 13 176.221 0 . 1 . . . . . 320 ILE C . 50270 1 1031 . 1 . 1 194 194 ILE CA C 13 64.614 0 . 1 . . . . . 320 ILE CA . 50270 1 1032 . 1 . 1 194 194 ILE CB C 13 38.293 0 . 1 . . . . . 320 ILE CB . 50270 1 1033 . 1 . 1 194 194 ILE N N 15 119.372 0 . 1 . . . . . 320 ILE N . 50270 1 1034 . 1 . 1 195 195 VAL H H 1 5.791 0 . 1 . . . . . 321 VAL H . 50270 1 1035 . 1 . 1 195 195 VAL HA H 1 4.398 0 . 1 . . . . . 321 VAL HA . 50270 1 1036 . 1 . 1 195 195 VAL C C 13 177.755 0 . 1 . . . . . 321 VAL C . 50270 1 1037 . 1 . 1 195 195 VAL CA C 13 66.362 0 . 1 . . . . . 321 VAL CA . 50270 1 1038 . 1 . 1 195 195 VAL CB C 13 31.847 0 . 1 . . . . . 321 VAL CB . 50270 1 1039 . 1 . 1 195 195 VAL N N 15 115.844 0 . 1 . . . . . 321 VAL N . 50270 1 1040 . 1 . 1 196 196 MET H H 1 8.072 0 . 1 . . . . . 322 MET H . 50270 1 1041 . 1 . 1 196 196 MET HA H 1 4.103 0 . 1 . . . . . 322 MET HA . 50270 1 1042 . 1 . 1 196 196 MET C C 13 178.384 0 . 1 . . . . . 322 MET C . 50270 1 1043 . 1 . 1 196 196 MET CA C 13 57.732 0 . 1 . . . . . 322 MET CA . 50270 1 1044 . 1 . 1 196 196 MET CB C 13 30.224 0 . 1 . . . . . 322 MET CB . 50270 1 1045 . 1 . 1 196 196 MET N N 15 115.299 0 . 1 . . . . . 322 MET N . 50270 1 1046 . 1 . 1 197 197 ASN H H 1 7.102 0 . 1 . . . . . 323 ASN H . 50270 1 1047 . 1 . 1 197 197 ASN HA H 1 4.26 0 . 1 . . . . . 323 ASN HA . 50270 1 1048 . 1 . 1 197 197 ASN C C 13 177.225 0 . 1 . . . . . 323 ASN C . 50270 1 1049 . 1 . 1 197 197 ASN CA C 13 56.193 0 . 1 . . . . . 323 ASN CA . 50270 1 1050 . 1 . 1 197 197 ASN CB C 13 39.375 0 . 1 . . . . . 323 ASN CB . 50270 1 1051 . 1 . 1 197 197 ASN N N 15 115.305 0 . 1 . . . . . 323 ASN N . 50270 1 1052 . 1 . 1 198 198 TYR H H 1 7.44 0 . 1 . . . . . 324 TYR H . 50270 1 1053 . 1 . 1 198 198 TYR HA H 1 4.675 0 . 1 . . . . . 324 TYR HA . 50270 1 1054 . 1 . 1 198 198 TYR C C 13 176.835 0 . 1 . . . . . 324 TYR C . 50270 1 1055 . 1 . 1 198 198 TYR CA C 13 56.594 0 . 1 . . . . . 324 TYR CA . 50270 1 1056 . 1 . 1 198 198 TYR N N 15 118.407 0 . 1 . . . . . 324 TYR N . 50270 1 1057 . 1 . 1 199 199 ILE H H 1 7.386 0 . 1 . . . . . 325 ILE H . 50270 1 1058 . 1 . 1 199 199 ILE HA H 1 4.417 0 . 1 . . . . . 325 ILE HA . 50270 1 1059 . 1 . 1 199 199 ILE C C 13 174.472 0 . 1 . . . . . 325 ILE C . 50270 1 1060 . 1 . 1 199 199 ILE CA C 13 61.049 0 . 1 . . . . . 325 ILE CA . 50270 1 1061 . 1 . 1 199 199 ILE CB C 13 37.26 0 . 1 . . . . . 325 ILE CB . 50270 1 1062 . 1 . 1 199 199 ILE N N 15 107.54 0 . 1 . . . . . 325 ILE N . 50270 1 1063 . 1 . 1 200 200 ARG H H 1 7.083 0 . 1 . . . . . 326 ARG H . 50270 1 1064 . 1 . 1 200 200 ARG C C 13 176.409 0 . 1 . . . . . 326 ARG C . 50270 1 1065 . 1 . 1 200 200 ARG CA C 13 57.656 0 . 1 . . . . . 326 ARG CA . 50270 1 1066 . 1 . 1 200 200 ARG CB C 13 30.629 0 . 1 . . . . . 326 ARG CB . 50270 1 1067 . 1 . 1 200 200 ARG N N 15 121.101 0 . 1 . . . . . 326 ARG N . 50270 1 1068 . 1 . 1 201 201 ASN C C 13 176.415 0 . 1 . . . . . 327 ASN C . 50270 1 1069 . 1 . 1 201 201 ASN CA C 13 53 0 . 1 . . . . . 327 ASN CA . 50270 1 1070 . 1 . 1 201 201 ASN CB C 13 37.105 0 . 1 . . . . . 327 ASN CB . 50270 1 1071 . 1 . 1 202 202 LEU H H 1 8.706 0 . 1 . . . . . 328 LEU H . 50270 1 1072 . 1 . 1 202 202 LEU HA H 1 4.042 0 . 1 . . . . . 328 LEU HA . 50270 1 1073 . 1 . 1 202 202 LEU C C 13 177.419 0 . 1 . . . . . 328 LEU C . 50270 1 1074 . 1 . 1 202 202 LEU CA C 13 56.173 0 . 1 . . . . . 328 LEU CA . 50270 1 1075 . 1 . 1 202 202 LEU CB C 13 41.517 0 . 1 . . . . . 328 LEU CB . 50270 1 1076 . 1 . 1 202 202 LEU N N 15 121.524 0 . 1 . . . . . 328 LEU N . 50270 1 1077 . 1 . 1 203 203 ASP H H 1 8.265 0 . 1 . . . . . 329 ASP H . 50270 1 1078 . 1 . 1 203 203 ASP CA C 13 54.048 0 . 1 . . . . . 329 ASP CA . 50270 1 1079 . 1 . 1 203 203 ASP CB C 13 41.376 0 . 1 . . . . . 329 ASP CB . 50270 1 1080 . 1 . 1 203 203 ASP N N 15 117.465 0 . 1 . . . . . 329 ASP N . 50270 1 1081 . 1 . 1 205 205 GLU HA H 1 4.227 0 . 1 . . . . . 331 GLU HA . 50270 1 1082 . 1 . 1 205 205 GLU C C 13 176.78 0 . 1 . . . . . 331 GLU C . 50270 1 1083 . 1 . 1 205 205 GLU CA C 13 57.15 0 . 1 . . . . . 331 GLU CA . 50270 1 1084 . 1 . 1 205 205 GLU CB C 13 29.983 0 . 1 . . . . . 331 GLU CB . 50270 1 1085 . 1 . 1 206 206 THR H H 1 8.467 0 . 1 . . . . . 332 THR H . 50270 1 1086 . 1 . 1 206 206 THR HA H 1 4.419 0 . 1 . . . . . 332 THR HA . 50270 1 1087 . 1 . 1 206 206 THR C C 13 176.04 0 . 1 . . . . . 332 THR C . 50270 1 1088 . 1 . 1 206 206 THR CA C 13 61.683 0 . 1 . . . . . 332 THR CA . 50270 1 1089 . 1 . 1 206 206 THR CB C 13 69.881 0 . 1 . . . . . 332 THR CB . 50270 1 1090 . 1 . 1 206 206 THR N N 15 122.333 0 . 1 . . . . . 332 THR N . 50270 1 1091 . 1 . 1 207 207 GLY H H 1 8.031 0 . 1 . . . . . 333 GLY H . 50270 1 1092 . 1 . 1 207 207 GLY C C 13 173.46 0 . 1 . . . . . 333 GLY C . 50270 1 1093 . 1 . 1 207 207 GLY CA C 13 45.488 0 . 1 . . . . . 333 GLY CA . 50270 1 1094 . 1 . 1 207 207 GLY N N 15 110.602 0 . 1 . . . . . 333 GLY N . 50270 1 1095 . 1 . 1 208 208 ALA H H 1 7.804 0 . 1 . . . . . 334 ALA H . 50270 1 1096 . 1 . 1 208 208 ALA HA H 1 4.101 0 . 1 . . . . . 334 ALA HA . 50270 1 1097 . 1 . 1 208 208 ALA C C 13 176.752 0 . 1 . . . . . 334 ALA C . 50270 1 1098 . 1 . 1 208 208 ALA CA C 13 53.207 0 . 1 . . . . . 334 ALA CA . 50270 1 1099 . 1 . 1 208 208 ALA CB C 13 19.268 0 . 1 . . . . . 334 ALA CB . 50270 1 1100 . 1 . 1 208 208 ALA N N 15 120.777 0 . 1 . . . . . 334 ALA N . 50270 1 1101 . 1 . 1 209 209 MET H H 1 7.613 0 . 1 . . . . . 335 MET H . 50270 1 1102 . 1 . 1 209 209 MET HA H 1 5.087 0 . 1 . . . . . 335 MET HA . 50270 1 1103 . 1 . 1 209 209 MET C C 13 175.772 0 . 1 . . . . . 335 MET C . 50270 1 1104 . 1 . 1 209 209 MET CA C 13 54.414 0 . 1 . . . . . 335 MET CA . 50270 1 1105 . 1 . 1 209 209 MET CB C 13 32.776 0 . 1 . . . . . 335 MET CB . 50270 1 1106 . 1 . 1 209 209 MET N N 15 118.196 0 . 1 . . . . . 335 MET N . 50270 1 1107 . 1 . 1 210 210 VAL H H 1 8.951 0 . 1 . . . . . 336 VAL H . 50270 1 1108 . 1 . 1 210 210 VAL HA H 1 4.738 0 . 1 . . . . . 336 VAL HA . 50270 1 1109 . 1 . 1 210 210 VAL C C 13 174.964 0 . 1 . . . . . 336 VAL C . 50270 1 1110 . 1 . 1 210 210 VAL CA C 13 58.97 0 . 1 . . . . . 336 VAL CA . 50270 1 1111 . 1 . 1 210 210 VAL CB C 13 34.81 0 . 1 . . . . . 336 VAL CB . 50270 1 1112 . 1 . 1 210 210 VAL N N 15 119.718 0 . 1 . . . . . 336 VAL N . 50270 1 1113 . 1 . 1 211 211 ARG H H 1 8.569 0 . 1 . . . . . 337 ARG H . 50270 1 1114 . 1 . 1 211 211 ARG HA H 1 4.457 0 . 1 . . . . . 337 ARG HA . 50270 1 1115 . 1 . 1 211 211 ARG C C 13 175.73 0 . 1 . . . . . 337 ARG C . 50270 1 1116 . 1 . 1 211 211 ARG CA C 13 55.991 0 . 1 . . . . . 337 ARG CA . 50270 1 1117 . 1 . 1 211 211 ARG CB C 13 30.425 0 . 1 . . . . . 337 ARG CB . 50270 1 1118 . 1 . 1 211 211 ARG N N 15 122.988 0 . 1 . . . . . 337 ARG N . 50270 1 1119 . 1 . 1 212 212 LEU H H 1 8.275 0 . 1 . . . . . 338 LEU H . 50270 1 1120 . 1 . 1 212 212 LEU HA H 1 4.454 0 . 1 . . . . . 338 LEU HA . 50270 1 1121 . 1 . 1 212 212 LEU C C 13 176.813 0 . 1 . . . . . 338 LEU C . 50270 1 1122 . 1 . 1 212 212 LEU CA C 13 54.856 0 . 1 . . . . . 338 LEU CA . 50270 1 1123 . 1 . 1 212 212 LEU CB C 13 43.354 0 . 1 . . . . . 338 LEU CB . 50270 1 1124 . 1 . 1 212 212 LEU N N 15 125.952 0 . 1 . . . . . 338 LEU N . 50270 1 1125 . 1 . 1 213 213 LEU H H 1 8.167 0 . 1 . . . . . 339 LEU H . 50270 1 1126 . 1 . 1 213 213 LEU HA H 1 4.608 0 . 1 . . . . . 339 LEU HA . 50270 1 1127 . 1 . 1 213 213 LEU C C 13 176.309 0 . 1 . . . . . 339 LEU C . 50270 1 1128 . 1 . 1 213 213 LEU CA C 13 54.039 0 . 1 . . . . . 339 LEU CA . 50270 1 1129 . 1 . 1 213 213 LEU CB C 13 42.689 0 . 1 . . . . . 339 LEU CB . 50270 1 1130 . 1 . 1 213 213 LEU N N 15 125.87 0 . 1 . . . . . 339 LEU N . 50270 1 1131 . 1 . 1 214 214 GLU H H 1 7.519 0 . 1 . . . . . 340 GLU H . 50270 1 1132 . 1 . 1 214 214 GLU HA H 1 4.277 0 . 1 . . . . . 340 GLU HA . 50270 1 1133 . 1 . 1 214 214 GLU C C 13 176.107 0 . 1 . . . . . 340 GLU C . 50270 1 1134 . 1 . 1 214 214 GLU CA C 13 55.914 0 . 1 . . . . . 340 GLU CA . 50270 1 1135 . 1 . 1 214 214 GLU CB C 13 29.894 0 . 1 . . . . . 340 GLU CB . 50270 1 1136 . 1 . 1 214 214 GLU N N 15 118.06 0 . 1 . . . . . 340 GLU N . 50270 1 1137 . 1 . 1 215 215 ASP H H 1 8.54 0 . 1 . . . . . 341 ASP H . 50270 1 1138 . 1 . 1 215 215 ASP HA H 1 4.665 0 . 1 . . . . . 341 ASP HA . 50270 1 1139 . 1 . 1 215 215 ASP C C 13 176.349 0 . 1 . . . . . 341 ASP C . 50270 1 1140 . 1 . 1 215 215 ASP CA C 13 54.356 0 . 1 . . . . . 341 ASP CA . 50270 1 1141 . 1 . 1 215 215 ASP CB C 13 41.217 0 . 1 . . . . . 341 ASP CB . 50270 1 1142 . 1 . 1 215 215 ASP N N 15 120.063 0 . 1 . . . . . 341 ASP N . 50270 1 1143 . 1 . 1 216 216 GLY H H 1 8.176 0 . 1 . . . . . 342 GLY H . 50270 1 1144 . 1 . 1 216 216 GLY HA2 H 1 4.006 0 . 1 . . . . . 342 GLY HA2 . 50270 1 1145 . 1 . 1 216 216 GLY HA3 H 1 3.947 0 . 1 . . . . . 342 GLY HA3 . 50270 1 1146 . 1 . 1 216 216 GLY C C 13 172.883 0 . 1 . . . . . 342 GLY C . 50270 1 1147 . 1 . 1 216 216 GLY CA C 13 45.254 0 . 1 . . . . . 342 GLY CA . 50270 1 1148 . 1 . 1 216 216 GLY N N 15 108.797 0 . 1 . . . . . 342 GLY N . 50270 1 1149 . 1 . 1 217 217 ASP H H 1 8.029 0 . 1 . . . . . 343 ASP H . 50270 1 1150 . 1 . 1 217 217 ASP C C 13 180.96 0 . 1 . . . . . 343 ASP C . 50270 1 1151 . 1 . 1 217 217 ASP CA C 13 55.946 0 . 1 . . . . . 343 ASP CA . 50270 1 1152 . 1 . 1 217 217 ASP CB C 13 42.759 0 . 1 . . . . . 343 ASP CB . 50270 1 1153 . 1 . 1 217 217 ASP N N 15 125.739 0 . 1 . . . . . 343 ASP N . 50270 1 stop_ save_